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 3 Tue Jul 1 14:09:01 2008 MODEL 3 PARENT N/A ATOM 1 N MET 1 28.357 25.370 10.635 1.00 0.00 ATOM 2 CA MET 1 29.171 24.610 11.597 1.00 0.00 ATOM 3 CB MET 1 28.463 24.409 12.937 1.00 0.00 ATOM 4 CG MET 1 28.232 25.720 13.687 1.00 0.00 ATOM 5 SD MET 1 29.781 26.561 14.138 1.00 0.00 ATOM 6 CE MET 1 30.280 25.419 15.383 1.00 0.00 ATOM 7 O MET 1 30.593 22.743 11.485 1.00 0.00 ATOM 8 C MET 1 29.562 23.259 11.064 1.00 0.00 ATOM 9 N GLY 2 28.787 22.643 10.173 1.00 0.00 ATOM 10 CA GLY 2 29.060 21.319 9.618 1.00 0.00 ATOM 11 O GLY 2 29.363 19.109 10.449 1.00 0.00 ATOM 12 C GLY 2 28.820 20.191 10.604 1.00 0.00 ATOM 13 N LEU 3 28.018 20.444 11.621 1.00 0.00 ATOM 14 CA LEU 3 27.791 19.490 12.711 1.00 0.00 ATOM 15 CB LEU 3 28.104 20.188 14.049 1.00 0.00 ATOM 16 CG LEU 3 29.546 20.683 14.112 1.00 0.00 ATOM 17 CD1 LEU 3 29.758 21.603 15.298 1.00 0.00 ATOM 18 CD2 LEU 3 30.533 19.519 14.118 1.00 0.00 ATOM 19 O LEU 3 25.838 18.610 13.730 1.00 0.00 ATOM 20 C LEU 3 26.350 18.985 12.699 1.00 0.00 ATOM 21 N LEU 4 25.641 19.037 11.582 1.00 0.00 ATOM 22 CA LEU 4 24.216 18.632 11.552 1.00 0.00 ATOM 23 CB LEU 4 23.609 18.820 10.156 1.00 0.00 ATOM 24 CG LEU 4 23.828 20.213 9.544 1.00 0.00 ATOM 25 CD1 LEU 4 22.996 20.399 8.282 1.00 0.00 ATOM 26 CD2 LEU 4 23.325 21.319 10.433 1.00 0.00 ATOM 27 O LEU 4 23.213 16.867 12.849 1.00 0.00 ATOM 28 C LEU 4 24.044 17.173 12.000 1.00 0.00 ATOM 29 N ASP 5 24.830 16.272 11.414 1.00 0.00 ATOM 30 CA ASP 5 24.655 14.850 11.678 1.00 0.00 ATOM 31 CB ASP 5 25.484 14.016 10.701 1.00 0.00 ATOM 32 CG ASP 5 24.941 14.084 9.276 1.00 0.00 ATOM 33 OD1 ASP 5 23.799 14.571 9.076 1.00 0.00 ATOM 34 OD2 ASP 5 25.740 13.682 8.414 1.00 0.00 ATOM 35 O ASP 5 24.336 13.721 13.802 1.00 0.00 ATOM 36 C ASP 5 25.008 14.528 13.140 1.00 0.00 ATOM 37 N ALA 6 26.053 15.154 13.626 1.00 0.00 ATOM 38 CA ALA 6 26.564 14.877 14.960 1.00 0.00 ATOM 39 CB ALA 6 28.045 15.091 14.931 1.00 0.00 ATOM 40 O ALA 6 26.014 15.519 17.225 1.00 0.00 ATOM 41 C ALA 6 25.972 15.795 16.039 1.00 0.00 ATOM 42 N LEU 7 25.436 16.916 15.592 1.00 0.00 ATOM 43 CA LEU 7 24.897 17.992 16.444 1.00 0.00 ATOM 44 CB LEU 7 23.622 17.507 17.158 1.00 0.00 ATOM 45 CG LEU 7 22.518 17.043 16.207 1.00 0.00 ATOM 46 CD1 LEU 7 21.338 16.506 17.008 1.00 0.00 ATOM 47 CD2 LEU 7 22.028 18.235 15.412 1.00 0.00 ATOM 48 O LEU 7 25.651 18.592 18.642 1.00 0.00 ATOM 49 C LEU 7 25.938 18.474 17.449 1.00 0.00 ATOM 50 N MET 8 27.145 18.754 16.968 1.00 0.00 ATOM 51 CA MET 8 28.236 19.228 17.847 1.00 0.00 ATOM 52 CB MET 8 29.557 18.823 17.219 1.00 0.00 ATOM 53 CG MET 8 30.790 19.095 18.080 1.00 0.00 ATOM 54 SD MET 8 32.393 18.866 17.235 1.00 0.00 ATOM 55 CE MET 8 32.163 17.226 16.598 1.00 0.00 ATOM 56 O MET 8 27.779 21.577 17.640 1.00 0.00 ATOM 57 C MET 8 28.107 20.653 18.386 1.00 0.00 ATOM 58 N GLY 9 28.366 20.827 19.677 1.00 0.00 ATOM 59 CA GLY 9 28.276 22.145 20.296 1.00 0.00 ATOM 60 O GLY 9 30.474 22.288 21.121 1.00 0.00 ATOM 61 C GLY 9 29.491 22.897 20.742 1.00 0.00 ATOM 62 N ASN 10 29.224 24.183 20.906 1.00 0.00 ATOM 63 CA ASN 10 30.206 25.083 21.504 1.00 0.00 ATOM 64 CB ASN 10 30.221 26.453 20.820 1.00 0.00 ATOM 65 CG ASN 10 30.633 26.313 19.370 1.00 0.00 ATOM 66 ND2 ASN 10 29.790 26.756 18.511 1.00 0.00 ATOM 67 OD1 ASN 10 31.705 25.914 18.981 1.00 0.00 ATOM 68 O ASN 10 28.830 25.699 23.372 1.00 0.00 ATOM 69 C ASN 10 29.914 25.279 22.975 1.00 0.00 ATOM 70 N ALA 11 30.950 24.961 23.736 1.00 0.00 ATOM 71 CA ALA 11 30.880 25.072 25.196 1.00 0.00 ATOM 72 CB ALA 11 31.600 23.882 25.773 1.00 0.00 ATOM 73 O ALA 11 31.334 26.676 26.921 1.00 0.00 ATOM 74 C ALA 11 31.441 26.386 25.729 1.00 0.00 ATOM 75 N ALA 12 32.038 27.180 24.846 1.00 0.00 ATOM 76 CA ALA 12 32.613 28.475 25.245 1.00 0.00 ATOM 77 CB ALA 12 33.212 29.109 23.987 1.00 0.00 ATOM 78 O ALA 12 30.477 29.159 26.063 1.00 0.00 ATOM 79 C ALA 12 31.667 29.440 25.917 1.00 0.00 ATOM 80 N GLU 13 32.192 30.589 26.331 1.00 0.00 ATOM 81 CA GLU 13 31.374 31.600 26.991 1.00 0.00 ATOM 82 CB GLU 13 32.143 32.068 28.240 1.00 0.00 ATOM 83 CG GLU 13 32.827 30.950 29.033 1.00 0.00 ATOM 84 CD GLU 13 33.668 31.526 30.183 1.00 0.00 ATOM 85 OE1 GLU 13 34.345 32.558 30.013 1.00 0.00 ATOM 86 OE2 GLU 13 33.595 30.917 31.260 1.00 0.00 ATOM 87 O GLU 13 31.153 33.863 26.224 1.00 0.00 ATOM 88 C GLU 13 30.943 32.671 25.994 1.00 0.00 ATOM 89 N VAL 14 30.342 32.245 24.888 1.00 0.00 ATOM 90 CA VAL 14 29.870 33.199 23.835 1.00 0.00 ATOM 91 CB VAL 14 29.043 32.478 22.745 1.00 0.00 ATOM 92 CG1 VAL 14 29.933 31.595 21.876 1.00 0.00 ATOM 93 CG2 VAL 14 27.883 31.638 23.312 1.00 0.00 ATOM 94 O VAL 14 28.383 33.984 25.558 1.00 0.00 ATOM 95 C VAL 14 28.965 34.246 24.505 1.00 0.00 ATOM 96 N ASN 15 28.852 35.419 23.890 1.00 0.00 ATOM 97 CA ASN 15 28.017 36.482 24.438 1.00 0.00 ATOM 98 CB ASN 15 28.013 37.691 23.485 1.00 0.00 ATOM 99 CG ASN 15 27.334 38.895 24.095 1.00 0.00 ATOM 100 ND2 ASN 15 28.021 40.044 24.087 1.00 0.00 ATOM 101 OD1 ASN 15 26.219 38.795 24.582 1.00 0.00 ATOM 102 O ASN 15 25.936 35.587 23.612 1.00 0.00 ATOM 103 C ASN 15 26.589 35.977 24.589 1.00 0.00 ATOM 104 N LEU 16 26.206 35.834 25.845 1.00 0.00 ATOM 105 CA LEU 16 24.923 35.197 26.179 1.00 0.00 ATOM 106 CB LEU 16 24.821 34.974 27.695 1.00 0.00 ATOM 107 CG LEU 16 25.958 34.127 28.278 1.00 0.00 ATOM 108 CD1 LEU 16 25.738 33.936 29.781 1.00 0.00 ATOM 109 CD2 LEU 16 26.059 32.736 27.626 1.00 0.00 ATOM 110 O LEU 16 22.838 35.451 25.019 1.00 0.00 ATOM 111 C LEU 16 23.771 36.009 25.598 1.00 0.00 ATOM 112 N ASP 17 23.836 37.328 25.752 1.00 0.00 ATOM 113 CA ASP 17 22.780 38.219 25.228 1.00 0.00 ATOM 114 CB ASP 17 23.097 39.673 25.579 1.00 0.00 ATOM 115 CG ASP 17 22.781 40.012 27.032 1.00 0.00 ATOM 116 OD1 ASP 17 21.705 39.638 27.510 1.00 0.00 ATOM 117 OD2 ASP 17 23.674 40.552 27.716 1.00 0.00 ATOM 118 O ASP 17 21.628 38.102 23.127 1.00 0.00 ATOM 119 C ASP 17 22.714 38.141 23.706 1.00 0.00 ATOM 120 N GLU 18 23.877 38.119 23.061 1.00 0.00 ATOM 121 CA GLU 18 23.935 38.042 21.597 1.00 0.00 ATOM 122 CB GLU 18 25.346 38.139 21.038 1.00 0.00 ATOM 123 CG GLU 18 25.878 39.554 21.217 1.00 0.00 ATOM 124 CD GLU 18 27.265 39.761 20.609 1.00 0.00 ATOM 125 OE1 GLU 18 27.994 38.785 20.534 1.00 0.00 ATOM 126 OE2 GLU 18 27.637 40.906 20.304 1.00 0.00 ATOM 127 O GLU 18 22.536 36.707 20.177 1.00 0.00 ATOM 128 C GLU 18 23.319 36.729 21.128 1.00 0.00 ATOM 129 N LEU 19 23.672 35.635 21.796 1.00 0.00 ATOM 130 CA LEU 19 23.146 34.347 21.437 1.00 0.00 ATOM 131 CB LEU 19 23.991 33.366 22.220 1.00 0.00 ATOM 132 CG LEU 19 23.632 31.941 21.898 1.00 0.00 ATOM 133 CD1 LEU 19 23.891 31.527 20.455 1.00 0.00 ATOM 134 CD2 LEU 19 24.391 31.135 22.928 1.00 0.00 ATOM 135 O LEU 19 20.902 33.575 20.965 1.00 0.00 ATOM 136 C LEU 19 21.626 34.221 21.724 1.00 0.00 ATOM 137 N ALA 20 21.165 34.838 22.808 1.00 0.00 ATOM 138 CA ALA 20 19.752 34.784 23.164 1.00 0.00 ATOM 139 CB ALA 20 19.477 35.581 24.426 1.00 0.00 ATOM 140 O ALA 20 17.796 34.833 21.777 1.00 0.00 ATOM 141 C ALA 20 18.859 35.376 22.079 1.00 0.00 ATOM 142 N GLN 21 19.296 36.485 21.489 1.00 0.00 ATOM 143 CA GLN 21 18.520 37.145 20.418 1.00 0.00 ATOM 144 CB GLN 21 19.295 38.323 19.864 1.00 0.00 ATOM 145 CG GLN 21 19.674 39.286 20.970 1.00 0.00 ATOM 146 CD GLN 21 20.518 40.380 20.357 1.00 0.00 ATOM 147 OE1 GLN 21 21.222 40.208 19.381 1.00 0.00 ATOM 148 NE2 GLN 21 20.445 41.518 20.991 1.00 0.00 ATOM 149 O GLN 21 17.136 36.487 18.598 1.00 0.00 ATOM 150 C GLN 21 18.198 36.299 19.190 1.00 0.00 ATOM 151 N GLU 22 19.078 35.349 18.884 1.00 0.00 ATOM 152 CA GLU 22 18.935 34.503 17.688 1.00 0.00 ATOM 153 CB GLU 22 20.199 33.653 17.513 1.00 0.00 ATOM 154 CG GLU 22 20.260 32.963 16.142 1.00 0.00 ATOM 155 CD GLU 22 20.280 33.957 14.968 1.00 0.00 ATOM 156 OE1 GLU 22 21.072 34.928 15.058 1.00 0.00 ATOM 157 OE2 GLU 22 19.603 33.648 13.957 1.00 0.00 ATOM 158 O GLU 22 17.213 33.073 16.734 1.00 0.00 ATOM 159 C GLU 22 17.702 33.577 17.744 1.00 0.00 ATOM 160 N LEU 23 17.246 33.345 18.961 1.00 0.00 ATOM 161 CA LEU 23 16.149 32.417 19.268 1.00 0.00 ATOM 162 CB LEU 23 16.517 31.549 20.454 1.00 0.00 ATOM 163 CG LEU 23 17.972 31.355 20.809 1.00 0.00 ATOM 164 CD1 LEU 23 17.959 30.771 22.223 1.00 0.00 ATOM 165 CD2 LEU 23 18.727 30.549 19.748 1.00 0.00 ATOM 166 O LEU 23 13.818 32.580 19.778 1.00 0.00 ATOM 167 C LEU 23 14.914 33.143 19.792 1.00 0.00 ATOM 168 N GLY 24 15.159 34.220 20.521 1.00 0.00 ATOM 169 CA GLY 24 14.115 34.928 21.264 1.00 0.00 ATOM 170 O GLY 24 15.319 34.358 23.263 1.00 0.00 ATOM 171 C GLY 24 14.302 34.829 22.767 1.00 0.00 ATOM 172 N PRO 25 13.299 35.311 23.584 1.00 0.00 ATOM 173 CA PRO 25 13.610 35.536 24.995 1.00 0.00 ATOM 174 CB PRO 25 12.432 36.363 25.481 1.00 0.00 ATOM 175 CG PRO 25 11.274 35.946 24.588 1.00 0.00 ATOM 176 CD PRO 25 11.899 35.604 23.237 1.00 0.00 ATOM 177 O PRO 25 12.818 33.357 25.626 1.00 0.00 ATOM 178 C PRO 25 13.646 34.266 25.822 1.00 0.00 ATOM 179 N ILE 26 14.589 34.214 26.750 1.00 0.00 ATOM 180 CA ILE 26 14.687 33.036 27.585 1.00 0.00 ATOM 181 CB ILE 26 15.987 32.255 27.282 1.00 0.00 ATOM 182 CG1 ILE 26 17.213 33.149 27.424 1.00 0.00 ATOM 183 CG2 ILE 26 15.916 31.679 25.868 1.00 0.00 ATOM 184 CD1 ILE 26 18.559 32.456 27.412 1.00 0.00 ATOM 185 O ILE 26 15.282 32.939 29.905 1.00 0.00 ATOM 186 C ILE 26 14.587 33.469 29.055 1.00 0.00 ATOM 187 N MET 27 13.745 34.463 29.328 1.00 0.00 ATOM 188 CA MET 27 13.686 35.002 30.700 1.00 0.00 ATOM 189 CB MET 27 14.878 35.861 30.913 1.00 0.00 ATOM 190 CG MET 27 14.878 37.036 30.132 1.00 0.00 ATOM 191 SD MET 27 16.584 37.500 30.033 1.00 0.00 ATOM 192 CE MET 27 17.576 36.070 30.383 1.00 0.00 ATOM 193 O MET 27 11.682 36.330 30.393 1.00 0.00 ATOM 194 C MET 27 12.305 35.522 31.113 1.00 0.00 ATOM 195 N GLY 28 11.825 35.064 32.293 1.00 0.00 ATOM 196 CA GLY 28 10.774 35.708 33.058 1.00 0.00 ATOM 197 O GLY 28 11.411 34.804 35.195 1.00 0.00 ATOM 198 C GLY 28 11.027 35.788 34.564 1.00 0.00 ATOM 199 N ASP 29 10.924 37.013 35.087 1.00 0.00 ATOM 200 CA ASP 29 11.105 37.373 36.510 1.00 0.00 ATOM 201 CB ASP 29 9.875 36.965 37.344 1.00 0.00 ATOM 202 CG ASP 29 9.849 37.584 38.742 1.00 0.00 ATOM 203 OD1 ASP 29 10.662 38.505 38.999 1.00 0.00 ATOM 204 OD2 ASP 29 8.989 37.161 39.547 1.00 0.00 ATOM 205 O ASP 29 12.621 35.934 37.703 1.00 0.00 ATOM 206 C ASP 29 12.477 36.973 37.052 1.00 0.00 ATOM 207 N ASN 30 13.497 37.727 36.863 1.00 0.00 ATOM 208 CA ASN 30 14.857 37.474 37.334 1.00 0.00 ATOM 209 CB ASN 30 14.908 37.510 38.863 1.00 0.00 ATOM 210 CG ASN 30 14.550 38.877 39.436 1.00 0.00 ATOM 211 ND2 ASN 30 14.008 38.845 40.614 1.00 0.00 ATOM 212 OD1 ASN 30 14.645 39.951 38.861 1.00 0.00 ATOM 213 O ASN 30 16.459 35.641 37.468 1.00 0.00 ATOM 214 C ASN 30 15.547 36.183 36.855 1.00 0.00 ATOM 215 N GLU 31 15.060 35.627 35.757 1.00 0.00 ATOM 216 CA GLU 31 15.718 34.438 35.190 1.00 0.00 ATOM 217 CB GLU 31 14.805 33.857 34.143 1.00 0.00 ATOM 218 CG GLU 31 15.280 32.485 33.660 1.00 0.00 ATOM 219 CD GLU 31 14.335 31.895 32.619 1.00 0.00 ATOM 220 OE1 GLU 31 13.213 32.418 32.406 1.00 0.00 ATOM 221 OE2 GLU 31 14.714 30.798 32.166 1.00 0.00 ATOM 222 O GLU 31 17.267 35.879 34.061 1.00 0.00 ATOM 223 C GLU 31 17.106 34.842 34.706 1.00 0.00 ATOM 224 N GLN 32 18.105 34.023 35.016 1.00 0.00 ATOM 225 CA GLN 32 19.480 34.309 34.601 1.00 0.00 ATOM 226 CB GLN 32 20.302 34.641 35.844 1.00 0.00 ATOM 227 CG GLN 32 19.756 35.890 36.545 1.00 0.00 ATOM 228 CD GLN 32 19.928 37.165 35.712 1.00 0.00 ATOM 229 OE1 GLN 32 20.948 37.381 35.105 1.00 0.00 ATOM 230 NE2 GLN 32 19.003 38.083 35.809 1.00 0.00 ATOM 231 O GLN 32 19.944 31.979 34.393 1.00 0.00 ATOM 232 C GLN 32 20.099 33.099 33.912 1.00 0.00 ATOM 233 N LEU 33 20.773 33.352 32.801 1.00 0.00 ATOM 234 CA LEU 33 21.502 32.316 32.096 1.00 0.00 ATOM 235 CB LEU 33 21.727 32.764 30.635 1.00 0.00 ATOM 236 CG LEU 33 22.554 31.754 29.824 1.00 0.00 ATOM 237 CD1 LEU 33 22.076 30.323 30.073 1.00 0.00 ATOM 238 CD2 LEU 33 22.526 32.130 28.344 1.00 0.00 ATOM 239 O LEU 33 23.725 32.752 32.913 1.00 0.00 ATOM 240 C LEU 33 22.835 31.917 32.749 1.00 0.00 ATOM 241 N ALA 34 22.962 30.646 33.118 1.00 0.00 ATOM 242 CA ALA 34 24.186 30.160 33.744 1.00 0.00 ATOM 243 CB ALA 34 23.817 29.230 34.901 1.00 0.00 ATOM 244 O ALA 34 26.326 29.833 32.712 1.00 0.00 ATOM 245 C ALA 34 25.131 29.540 32.721 1.00 0.00 ATOM 246 N LEU 35 24.592 28.684 31.858 1.00 0.00 ATOM 247 CA LEU 35 25.411 28.014 30.807 1.00 0.00 ATOM 248 CB LEU 35 25.872 26.660 31.334 1.00 0.00 ATOM 249 CG LEU 35 26.721 26.693 32.602 1.00 0.00 ATOM 250 CD1 LEU 35 27.005 25.324 33.053 1.00 0.00 ATOM 251 CD2 LEU 35 28.013 27.435 32.313 1.00 0.00 ATOM 252 O LEU 35 23.501 27.463 29.468 1.00 0.00 ATOM 253 C LEU 35 24.668 27.857 29.487 1.00 0.00 ATOM 254 N ALA 36 25.344 28.164 28.385 1.00 0.00 ATOM 255 CA ALA 36 24.732 28.049 27.067 1.00 0.00 ATOM 256 CB ALA 36 24.469 29.451 26.498 1.00 0.00 ATOM 257 O ALA 36 26.873 27.540 26.094 1.00 0.00 ATOM 258 C ALA 36 25.678 27.279 26.139 1.00 0.00 ATOM 259 N TYR 37 25.083 26.305 25.455 1.00 0.00 ATOM 260 CA TYR 37 25.769 25.479 24.436 1.00 0.00 ATOM 261 CB TYR 37 25.980 24.065 24.994 1.00 0.00 ATOM 262 CG TYR 37 26.707 23.996 26.316 1.00 0.00 ATOM 263 CD1 TYR 37 28.062 24.206 26.386 1.00 0.00 ATOM 264 CD2 TYR 37 26.019 23.716 27.490 1.00 0.00 ATOM 265 CE1 TYR 37 28.747 24.140 27.602 1.00 0.00 ATOM 266 CE2 TYR 37 26.670 23.648 28.703 1.00 0.00 ATOM 267 CZ TYR 37 28.034 23.855 28.753 1.00 0.00 ATOM 268 OH TYR 37 28.660 23.777 29.973 1.00 0.00 ATOM 269 O TYR 37 23.827 25.508 23.027 1.00 0.00 ATOM 270 C TYR 37 25.038 25.715 23.119 1.00 0.00 ATOM 271 N ARG 38 25.773 26.150 22.101 1.00 0.00 ATOM 272 CA ARG 38 25.181 26.404 20.808 1.00 0.00 ATOM 273 CB ARG 38 25.428 27.832 20.284 1.00 0.00 ATOM 274 CG ARG 38 24.750 27.998 18.912 1.00 0.00 ATOM 275 CD ARG 38 25.041 29.364 18.364 1.00 0.00 ATOM 276 NE ARG 38 24.629 29.540 16.983 1.00 0.00 ATOM 277 CZ ARG 38 24.865 30.626 16.257 1.00 0.00 ATOM 278 NH1 ARG 38 25.545 31.676 16.711 1.00 0.00 ATOM 279 NH2 ARG 38 24.419 30.682 15.023 1.00 0.00 ATOM 280 O ARG 38 26.959 25.301 19.674 1.00 0.00 ATOM 281 C ARG 38 25.743 25.454 19.794 1.00 0.00 ATOM 282 N VAL 39 24.857 24.802 19.047 1.00 0.00 ATOM 283 CA VAL 39 25.283 23.853 18.025 1.00 0.00 ATOM 284 CB VAL 39 24.502 22.540 18.141 1.00 0.00 ATOM 285 CG1 VAL 39 24.795 21.622 16.957 1.00 0.00 ATOM 286 CG2 VAL 39 24.829 21.881 19.446 1.00 0.00 ATOM 287 O VAL 39 23.919 25.387 16.796 1.00 0.00 ATOM 288 C VAL 39 24.669 24.410 16.756 1.00 0.00 ATOM 289 N ILE 40 24.984 23.789 15.624 1.00 0.00 ATOM 290 CA ILE 40 24.450 24.236 14.342 1.00 0.00 ATOM 291 CB ILE 40 25.077 23.366 13.240 1.00 0.00 ATOM 292 CG1 ILE 40 24.580 23.848 11.885 1.00 0.00 ATOM 293 CG2 ILE 40 24.845 21.865 13.442 1.00 0.00 ATOM 294 CD1 ILE 40 24.970 25.292 11.518 1.00 0.00 ATOM 295 O ILE 40 22.251 24.857 13.555 1.00 0.00 ATOM 296 C ILE 40 22.910 24.115 14.302 1.00 0.00 ATOM 297 N ARG 41 22.423 23.107 14.993 1.00 0.00 ATOM 298 CA ARG 41 20.990 22.742 14.983 1.00 0.00 ATOM 299 CB ARG 41 20.785 21.286 14.600 1.00 0.00 ATOM 300 CG ARG 41 20.917 21.093 13.094 1.00 0.00 ATOM 301 CD ARG 41 20.721 19.638 12.663 1.00 0.00 ATOM 302 NE ARG 41 19.437 19.099 13.124 1.00 0.00 ATOM 303 CZ ARG 41 19.035 17.842 12.940 1.00 0.00 ATOM 304 NH1 ARG 41 19.784 16.929 12.314 1.00 0.00 ATOM 305 NH2 ARG 41 17.842 17.481 13.386 1.00 0.00 ATOM 306 O ARG 41 19.030 23.203 16.245 1.00 0.00 ATOM 307 C ARG 41 20.247 23.049 16.272 1.00 0.00 ATOM 308 N ASP 42 20.892 23.169 17.413 1.00 0.00 ATOM 309 CA ASP 42 20.219 23.421 18.678 1.00 0.00 ATOM 310 CB ASP 42 20.134 22.162 19.538 1.00 0.00 ATOM 311 CG ASP 42 19.174 21.129 19.004 1.00 0.00 ATOM 312 OD1 ASP 42 18.175 21.475 18.350 1.00 0.00 ATOM 313 OD2 ASP 42 19.435 19.946 19.305 1.00 0.00 ATOM 314 O ASP 42 22.237 24.421 19.518 1.00 0.00 ATOM 315 C ASP 42 20.999 24.331 19.593 1.00 0.00 ATOM 316 N MET 43 20.231 25.039 20.434 1.00 0.00 ATOM 317 CA MET 43 20.828 25.784 21.529 1.00 0.00 ATOM 318 CB MET 43 20.570 27.253 21.216 1.00 0.00 ATOM 319 CG MET 43 21.298 28.181 22.178 1.00 0.00 ATOM 320 SD MET 43 21.169 29.934 21.701 1.00 0.00 ATOM 321 CE MET 43 21.033 30.789 23.260 1.00 0.00 ATOM 322 O MET 43 19.031 25.289 23.047 1.00 0.00 ATOM 323 C MET 43 20.243 25.310 22.859 1.00 0.00 ATOM 324 N PHE 44 21.153 25.016 23.787 1.00 0.00 ATOM 325 CA PHE 44 20.801 24.522 25.128 1.00 0.00 ATOM 326 CB PHE 44 21.635 23.295 25.468 1.00 0.00 ATOM 327 CG PHE 44 21.188 22.062 24.743 1.00 0.00 ATOM 328 CD1 PHE 44 21.342 21.954 23.362 1.00 0.00 ATOM 329 CD2 PHE 44 20.582 21.021 25.436 1.00 0.00 ATOM 330 CE1 PHE 44 20.897 20.829 22.680 1.00 0.00 ATOM 331 CE2 PHE 44 20.131 19.886 24.762 1.00 0.00 ATOM 332 CZ PHE 44 20.288 19.789 23.383 1.00 0.00 ATOM 333 O PHE 44 22.351 25.978 26.240 1.00 0.00 ATOM 334 C PHE 44 21.176 25.636 26.100 1.00 0.00 ATOM 335 N VAL 45 20.177 26.201 26.772 1.00 0.00 ATOM 336 CA VAL 45 20.426 27.232 27.690 1.00 0.00 ATOM 337 CB VAL 45 19.687 28.413 27.048 1.00 0.00 ATOM 338 CG1 VAL 45 19.914 29.632 27.872 1.00 0.00 ATOM 339 CG2 VAL 45 20.292 28.785 25.714 1.00 0.00 ATOM 340 O VAL 45 18.834 26.516 29.349 1.00 0.00 ATOM 341 C VAL 45 20.003 26.819 29.109 1.00 0.00 ATOM 342 N PHE 46 20.955 26.811 30.038 1.00 0.00 ATOM 343 CA PHE 46 20.662 26.439 31.417 1.00 0.00 ATOM 344 CB PHE 46 21.774 25.514 31.912 1.00 0.00 ATOM 345 CG PHE 46 21.747 24.171 31.189 1.00 0.00 ATOM 346 CD1 PHE 46 22.301 24.082 29.916 1.00 0.00 ATOM 347 CD2 PHE 46 21.188 23.067 31.812 1.00 0.00 ATOM 348 CE1 PHE 46 22.297 22.858 29.255 1.00 0.00 ATOM 349 CE2 PHE 46 21.184 21.853 31.152 1.00 0.00 ATOM 350 CZ PHE 46 21.744 21.764 29.901 1.00 0.00 ATOM 351 O PHE 46 21.563 28.385 32.491 1.00 0.00 ATOM 352 C PHE 46 20.564 27.699 32.270 1.00 0.00 ATOM 353 N THR 47 19.361 28.000 32.748 1.00 0.00 ATOM 354 CA THR 47 19.154 29.178 33.576 1.00 0.00 ATOM 355 CB THR 47 17.998 30.041 33.036 1.00 0.00 ATOM 356 CG2 THR 47 18.195 30.397 31.555 1.00 0.00 ATOM 357 OG1 THR 47 16.727 29.424 33.273 1.00 0.00 ATOM 358 O THR 47 18.529 27.575 35.245 1.00 0.00 ATOM 359 C THR 47 18.760 28.756 34.985 1.00 0.00 ATOM 360 N ASN 48 18.683 29.723 35.894 1.00 0.00 ATOM 361 CA ASN 48 18.312 29.433 37.275 1.00 0.00 ATOM 362 CB ASN 48 18.324 30.677 38.159 1.00 0.00 ATOM 363 CG ASN 48 19.762 31.107 38.428 1.00 0.00 ATOM 364 ND2 ASN 48 19.879 32.335 38.824 1.00 0.00 ATOM 365 OD1 ASN 48 20.741 30.377 38.342 1.00 0.00 ATOM 366 O ASN 48 16.635 28.152 38.383 1.00 0.00 ATOM 367 C ASN 48 16.915 28.828 37.378 1.00 0.00 ATOM 368 N LYS 49 16.074 29.015 36.382 1.00 0.00 ATOM 369 CA LYS 49 14.683 28.556 36.452 1.00 0.00 ATOM 370 CB LYS 49 13.780 29.721 36.060 1.00 0.00 ATOM 371 CG LYS 49 13.768 30.826 37.113 1.00 0.00 ATOM 372 CD LYS 49 12.841 31.942 36.676 1.00 0.00 ATOM 373 CE LYS 49 12.888 33.065 37.690 1.00 0.00 ATOM 374 NZ LYS 49 12.341 32.726 39.009 1.00 0.00 ATOM 375 O LYS 49 13.391 26.640 35.806 1.00 0.00 ATOM 376 C LYS 49 14.362 27.361 35.543 1.00 0.00 ATOM 377 N ARG 50 15.092 27.235 34.433 1.00 0.00 ATOM 378 CA ARG 50 14.741 26.262 33.386 1.00 0.00 ATOM 379 CB ARG 50 13.482 26.715 32.652 1.00 0.00 ATOM 380 CG ARG 50 13.653 28.018 31.889 1.00 0.00 ATOM 381 CD ARG 50 12.330 28.535 31.348 1.00 0.00 ATOM 382 NE ARG 50 11.499 29.003 32.456 1.00 0.00 ATOM 383 CZ ARG 50 10.246 29.370 32.304 1.00 0.00 ATOM 384 NH1 ARG 50 9.610 29.404 31.136 1.00 0.00 ATOM 385 NH2 ARG 50 9.591 29.714 33.374 1.00 0.00 ATOM 386 O ARG 50 16.883 26.625 32.297 1.00 0.00 ATOM 387 C ARG 50 15.847 25.965 32.365 1.00 0.00 ATOM 388 N LEU 51 15.584 24.910 31.606 1.00 0.00 ATOM 389 CA LEU 51 16.304 24.614 30.355 1.00 0.00 ATOM 390 CB LEU 51 16.519 23.126 30.102 1.00 0.00 ATOM 391 CG LEU 51 17.122 22.723 28.749 1.00 0.00 ATOM 392 CD1 LEU 51 18.557 23.201 28.641 1.00 0.00 ATOM 393 CD2 LEU 51 17.061 21.213 28.507 1.00 0.00 ATOM 394 O LEU 51 14.304 24.757 28.987 1.00 0.00 ATOM 395 C LEU 51 15.455 25.145 29.206 1.00 0.00 ATOM 396 N ILE 52 16.081 26.074 28.515 1.00 0.00 ATOM 397 CA ILE 52 15.463 26.628 27.326 1.00 0.00 ATOM 398 CB ILE 52 15.396 28.167 27.430 1.00 0.00 ATOM 399 CG1 ILE 52 14.628 28.557 28.695 1.00 0.00 ATOM 400 CG2 ILE 52 14.751 28.768 26.182 1.00 0.00 ATOM 401 CD1 ILE 52 14.725 30.032 29.036 1.00 0.00 ATOM 402 O ILE 52 17.415 26.129 26.024 1.00 0.00 ATOM 403 C ILE 52 16.196 25.998 26.147 1.00 0.00 ATOM 404 N LEU 53 15.454 25.317 25.280 1.00 0.00 ATOM 405 CA LEU 53 16.047 24.688 24.133 1.00 0.00 ATOM 406 CB LEU 53 15.918 23.184 24.367 1.00 0.00 ATOM 407 CG LEU 53 16.285 22.319 23.161 1.00 0.00 ATOM 408 CD1 LEU 53 17.751 22.465 22.761 1.00 0.00 ATOM 409 CD2 LEU 53 15.940 20.864 23.502 1.00 0.00 ATOM 410 O LEU 53 14.142 25.075 22.679 1.00 0.00 ATOM 411 C LEU 53 15.365 25.131 22.838 1.00 0.00 ATOM 412 N ILE 54 16.217 25.534 21.911 1.00 0.00 ATOM 413 CA ILE 54 15.849 25.942 20.552 1.00 0.00 ATOM 414 CB ILE 54 16.692 27.226 20.353 1.00 0.00 ATOM 415 CG1 ILE 54 16.088 28.248 21.307 1.00 0.00 ATOM 416 CG2 ILE 54 16.943 27.836 18.977 1.00 0.00 ATOM 417 CD1 ILE 54 14.695 28.765 20.951 1.00 0.00 ATOM 418 O ILE 54 17.400 24.547 19.408 1.00 0.00 ATOM 419 C ILE 54 16.213 24.759 19.664 1.00 0.00 ATOM 420 N ASP 55 15.197 23.988 19.293 1.00 0.00 ATOM 421 CA ASP 55 15.399 22.713 18.573 1.00 0.00 ATOM 422 CB ASP 55 14.421 21.636 19.043 1.00 0.00 ATOM 423 CG ASP 55 14.635 20.241 18.418 1.00 0.00 ATOM 424 OD1 ASP 55 15.357 20.134 17.398 1.00 0.00 ATOM 425 OD2 ASP 55 13.903 19.324 18.842 1.00 0.00 ATOM 426 O ASP 55 14.166 23.314 16.562 1.00 0.00 ATOM 427 C ASP 55 15.235 22.925 17.068 1.00 0.00 ATOM 428 N LYS 56 16.339 22.763 16.362 1.00 0.00 ATOM 429 CA LYS 56 16.197 22.673 14.903 1.00 0.00 ATOM 430 CB LYS 56 16.994 23.694 14.083 1.00 0.00 ATOM 431 CG LYS 56 17.002 23.342 12.590 1.00 0.00 ATOM 432 CD LYS 56 17.402 24.510 11.695 1.00 0.00 ATOM 433 CE LYS 56 18.870 24.880 11.858 1.00 0.00 ATOM 434 NZ LYS 56 19.128 26.014 10.962 1.00 0.00 ATOM 435 O LYS 56 17.195 20.484 14.369 1.00 0.00 ATOM 436 C LYS 56 16.200 21.209 14.456 1.00 0.00 ATOM 437 N GLN 57 15.064 20.955 13.826 1.00 0.00 ATOM 438 CA GLN 57 14.756 19.628 13.283 1.00 0.00 ATOM 439 CB GLN 57 13.314 19.250 13.599 1.00 0.00 ATOM 440 CG GLN 57 13.081 18.961 15.074 1.00 0.00 ATOM 441 CD GLN 57 11.608 18.694 15.354 1.00 0.00 ATOM 442 OE1 GLN 57 10.725 18.604 14.500 1.00 0.00 ATOM 443 NE2 GLN 57 11.303 18.605 16.624 1.00 0.00 ATOM 444 O GLN 57 14.470 18.685 11.095 1.00 0.00 ATOM 445 C GLN 57 14.993 19.568 11.777 1.00 0.00 ATOM 446 N GLY 58 15.783 20.504 11.262 1.00 0.00 ATOM 447 CA GLY 58 16.092 20.548 9.804 1.00 0.00 ATOM 448 O GLY 58 14.728 20.060 7.885 1.00 0.00 ATOM 449 C GLY 58 14.828 20.654 8.953 1.00 0.00 ATOM 450 N VAL 59 13.902 21.440 9.478 1.00 0.00 ATOM 451 CA VAL 59 12.601 21.637 8.823 1.00 0.00 ATOM 452 CB VAL 59 11.603 22.314 9.776 1.00 0.00 ATOM 453 CG1 VAL 59 10.266 22.466 9.069 1.00 0.00 ATOM 454 CG2 VAL 59 11.348 21.477 11.036 1.00 0.00 ATOM 455 O VAL 59 12.644 21.870 6.436 1.00 0.00 ATOM 456 C VAL 59 12.782 22.422 7.528 1.00 0.00 ATOM 457 N THR 60 13.092 23.708 7.652 1.00 0.00 ATOM 458 CA THR 60 13.292 24.555 6.479 1.00 0.00 ATOM 459 CB THR 60 12.136 25.556 6.513 1.00 0.00 ATOM 460 CG2 THR 60 10.829 24.783 6.313 1.00 0.00 ATOM 461 OG1 THR 60 12.159 26.263 7.769 1.00 0.00 ATOM 462 O THR 60 14.791 26.316 5.803 1.00 0.00 ATOM 463 C THR 60 14.613 25.341 6.534 1.00 0.00 ATOM 464 N GLY 61 15.528 24.911 7.397 1.00 0.00 ATOM 465 CA GLY 61 16.817 25.582 7.528 1.00 0.00 ATOM 466 O GLY 61 17.704 27.400 8.855 1.00 0.00 ATOM 467 C GLY 61 16.702 26.897 8.347 1.00 0.00 ATOM 468 N LYS 62 15.489 27.430 8.464 1.00 0.00 ATOM 469 CA LYS 62 15.274 28.661 9.214 1.00 0.00 ATOM 470 CB LYS 62 15.047 29.820 8.250 1.00 0.00 ATOM 471 CG LYS 62 16.300 30.200 7.462 1.00 0.00 ATOM 472 CD LYS 62 16.001 31.401 6.568 1.00 0.00 ATOM 473 CE LYS 62 17.166 31.650 5.615 1.00 0.00 ATOM 474 NZ LYS 62 16.813 32.702 4.673 1.00 0.00 ATOM 475 O LYS 62 13.232 29.367 10.300 1.00 0.00 ATOM 476 C LYS 62 14.059 28.466 10.159 1.00 0.00 ATOM 477 N LYS 63 13.969 27.299 10.789 1.00 0.00 ATOM 478 CA LYS 63 12.867 27.016 11.701 1.00 0.00 ATOM 479 CB LYS 63 12.067 25.861 11.149 1.00 0.00 ATOM 480 CG LYS 63 10.953 25.432 12.089 1.00 0.00 ATOM 481 CD LYS 63 9.987 26.570 12.372 1.00 0.00 ATOM 482 CE LYS 63 8.923 26.115 13.350 1.00 0.00 ATOM 483 NZ LYS 63 8.055 27.254 13.748 1.00 0.00 ATOM 484 O LYS 63 14.222 25.483 12.955 1.00 0.00 ATOM 485 C LYS 63 13.421 26.425 12.987 1.00 0.00 ATOM 486 N VAL 64 12.874 26.943 14.063 1.00 0.00 ATOM 487 CA VAL 64 13.201 26.404 15.363 1.00 0.00 ATOM 488 CB VAL 64 14.307 27.234 16.088 1.00 0.00 ATOM 489 CG1 VAL 64 13.915 28.726 16.229 1.00 0.00 ATOM 490 CG2 VAL 64 14.626 26.642 17.470 1.00 0.00 ATOM 491 O VAL 64 11.083 27.114 16.250 1.00 0.00 ATOM 492 C VAL 64 11.877 26.204 16.125 1.00 0.00 ATOM 493 N SER 65 11.903 25.116 16.886 1.00 0.00 ATOM 494 CA SER 65 10.869 24.869 17.906 1.00 0.00 ATOM 495 CB SER 65 10.506 23.401 17.838 1.00 0.00 ATOM 496 OG SER 65 9.594 23.170 18.894 1.00 0.00 ATOM 497 O SER 65 12.502 24.826 19.662 1.00 0.00 ATOM 498 C SER 65 11.429 25.282 19.263 1.00 0.00 ATOM 499 N TYR 66 10.704 26.143 19.969 1.00 0.00 ATOM 500 CA TYR 66 11.146 26.616 21.305 1.00 0.00 ATOM 501 CB TYR 66 10.710 28.087 21.366 1.00 0.00 ATOM 502 CG TYR 66 10.936 28.733 22.724 1.00 0.00 ATOM 503 CD1 TYR 66 12.212 28.855 23.227 1.00 0.00 ATOM 504 CD2 TYR 66 9.878 29.277 23.446 1.00 0.00 ATOM 505 CE1 TYR 66 12.438 29.549 24.392 1.00 0.00 ATOM 506 CE2 TYR 66 10.109 29.931 24.642 1.00 0.00 ATOM 507 CZ TYR 66 11.397 30.061 25.126 1.00 0.00 ATOM 508 OH TYR 66 11.659 30.664 26.308 1.00 0.00 ATOM 509 O TYR 66 9.285 25.716 22.524 1.00 0.00 ATOM 510 C TYR 66 10.510 25.791 22.419 1.00 0.00 ATOM 511 N HIS 67 11.343 25.173 23.250 1.00 0.00 ATOM 512 CA HIS 67 10.844 24.346 24.369 1.00 0.00 ATOM 513 CB HIS 67 11.465 22.972 24.180 1.00 0.00 ATOM 514 CG HIS 67 10.889 22.143 23.047 1.00 0.00 ATOM 515 CD2 HIS 67 11.549 21.955 21.914 1.00 0.00 ATOM 516 ND1 HIS 67 9.726 21.504 22.986 1.00 0.00 ATOM 517 CE1 HIS 67 9.670 20.922 21.794 1.00 0.00 ATOM 518 NE2 HIS 67 10.798 21.196 21.136 1.00 0.00 ATOM 519 O HIS 67 12.543 25.196 25.851 1.00 0.00 ATOM 520 C HIS 67 11.359 24.888 25.715 1.00 0.00 ATOM 521 N SER 68 10.468 24.998 26.694 1.00 0.00 ATOM 522 CA SER 68 10.850 25.498 28.010 1.00 0.00 ATOM 523 CB SER 68 10.334 26.923 28.257 1.00 0.00 ATOM 524 OG SER 68 8.940 26.996 28.555 1.00 0.00 ATOM 525 O SER 68 9.250 24.254 29.255 1.00 0.00 ATOM 526 C SER 68 10.435 24.542 29.085 1.00 0.00 ATOM 527 N VAL 69 11.414 24.036 29.829 1.00 0.00 ATOM 528 CA VAL 69 11.134 23.097 30.908 1.00 0.00 ATOM 529 CB VAL 69 11.665 21.707 30.556 1.00 0.00 ATOM 530 CG1 VAL 69 10.890 21.113 29.389 1.00 0.00 ATOM 531 CG2 VAL 69 13.129 21.719 30.128 1.00 0.00 ATOM 532 O VAL 69 12.836 23.698 32.481 1.00 0.00 ATOM 533 C VAL 69 11.629 23.669 32.238 1.00 0.00 ATOM 534 N PRO 70 10.720 24.308 33.004 1.00 0.00 ATOM 535 CA PRO 70 11.011 24.816 34.354 1.00 0.00 ATOM 536 CB PRO 70 9.869 25.788 34.673 1.00 0.00 ATOM 537 CG PRO 70 8.719 25.212 33.857 1.00 0.00 ATOM 538 CD PRO 70 9.390 24.769 32.563 1.00 0.00 ATOM 539 O PRO 70 10.398 23.504 36.276 1.00 0.00 ATOM 540 C PRO 70 11.163 23.631 35.319 1.00 0.00 ATOM 541 N TYR 71 12.146 22.775 35.063 1.00 0.00 ATOM 542 CA TYR 71 12.381 21.617 35.917 1.00 0.00 ATOM 543 CB TYR 71 13.288 20.608 35.225 1.00 0.00 ATOM 544 CG TYR 71 14.686 21.184 34.953 1.00 0.00 ATOM 545 CD1 TYR 71 15.689 21.055 35.896 1.00 0.00 ATOM 546 CD2 TYR 71 14.977 21.805 33.751 1.00 0.00 ATOM 547 CE1 TYR 71 16.962 21.535 35.644 1.00 0.00 ATOM 548 CE2 TYR 71 16.262 22.225 33.498 1.00 0.00 ATOM 549 CZ TYR 71 17.268 22.107 34.432 1.00 0.00 ATOM 550 OH TYR 71 18.514 22.539 34.120 1.00 0.00 ATOM 551 O TYR 71 13.895 22.884 37.278 1.00 0.00 ATOM 552 C TYR 71 13.065 21.975 37.230 1.00 0.00 ATOM 553 N LYS 72 12.716 21.259 38.295 1.00 0.00 ATOM 554 CA LYS 72 13.310 21.513 39.603 1.00 0.00 ATOM 555 CB LYS 72 12.357 21.098 40.727 1.00 0.00 ATOM 556 CG LYS 72 11.096 21.954 40.767 1.00 0.00 ATOM 557 CD LYS 72 10.211 21.490 41.914 1.00 0.00 ATOM 558 CE LYS 72 8.914 22.284 42.027 1.00 0.00 ATOM 559 NZ LYS 72 8.022 21.811 43.102 1.00 0.00 ATOM 560 O LYS 72 15.508 21.167 40.498 1.00 0.00 ATOM 561 C LYS 72 14.614 20.740 39.766 1.00 0.00 ATOM 562 N ALA 73 14.722 19.606 39.084 1.00 0.00 ATOM 563 CA ALA 73 15.936 18.776 39.161 1.00 0.00 ATOM 564 CB ALA 73 15.704 17.741 40.262 1.00 0.00 ATOM 565 O ALA 73 15.153 17.953 37.040 1.00 0.00 ATOM 566 C ALA 73 16.085 18.001 37.845 1.00 0.00 ATOM 567 N ILE 74 17.251 17.398 37.635 1.00 0.00 ATOM 568 CA ILE 74 17.497 16.633 36.419 1.00 0.00 ATOM 569 CB ILE 74 18.604 17.172 35.514 1.00 0.00 ATOM 570 CG1 ILE 74 18.099 18.445 34.835 1.00 0.00 ATOM 571 CG2 ILE 74 18.926 16.100 34.487 1.00 0.00 ATOM 572 CD1 ILE 74 19.037 19.202 33.892 1.00 0.00 ATOM 573 O ILE 74 18.732 15.062 37.757 1.00 0.00 ATOM 574 C ILE 74 17.886 15.222 36.877 1.00 0.00 ATOM 575 N THR 75 17.267 14.209 36.278 1.00 0.00 ATOM 576 CA THR 75 17.564 12.826 36.635 1.00 0.00 ATOM 577 CB THR 75 16.258 12.032 36.678 1.00 0.00 ATOM 578 CG2 THR 75 15.397 12.562 37.805 1.00 0.00 ATOM 579 OG1 THR 75 15.578 12.089 35.425 1.00 0.00 ATOM 580 O THR 75 18.513 12.506 34.458 1.00 0.00 ATOM 581 C THR 75 18.463 12.129 35.629 1.00 0.00 ATOM 582 N HIS 76 19.239 11.178 36.160 1.00 0.00 ATOM 583 CA HIS 76 20.067 10.269 35.354 1.00 0.00 ATOM 584 CB HIS 76 19.016 9.007 34.919 1.00 0.00 ATOM 585 CG HIS 76 18.216 8.250 35.931 1.00 0.00 ATOM 586 CD2 HIS 76 18.197 6.931 36.240 1.00 0.00 ATOM 587 ND1 HIS 76 17.248 8.838 36.716 1.00 0.00 ATOM 588 CE1 HIS 76 16.666 7.916 37.462 1.00 0.00 ATOM 589 NE2 HIS 76 17.223 6.750 37.192 1.00 0.00 ATOM 590 O HIS 76 21.292 10.700 33.335 1.00 0.00 ATOM 591 C HIS 76 21.084 11.026 34.505 1.00 0.00 ATOM 592 N PHE 77 21.715 12.036 35.094 1.00 0.00 ATOM 593 CA PHE 77 22.704 12.822 34.379 1.00 0.00 ATOM 594 CB PHE 77 22.817 14.167 35.099 1.00 0.00 ATOM 595 CG PHE 77 23.437 14.132 36.492 1.00 0.00 ATOM 596 CD1 PHE 77 24.804 14.318 36.654 1.00 0.00 ATOM 597 CD2 PHE 77 22.640 13.933 37.594 1.00 0.00 ATOM 598 CE1 PHE 77 25.394 14.284 37.912 1.00 0.00 ATOM 599 CE2 PHE 77 23.233 13.908 38.842 1.00 0.00 ATOM 600 CZ PHE 77 24.605 14.064 39.026 1.00 0.00 ATOM 601 O PHE 77 24.493 11.309 34.942 1.00 0.00 ATOM 602 C PHE 77 23.929 11.950 34.053 1.00 0.00 ATOM 603 N GLU 78 24.330 11.931 32.786 1.00 0.00 ATOM 604 CA GLU 78 25.480 11.139 32.369 1.00 0.00 ATOM 605 CB GLU 78 25.030 9.946 31.544 1.00 0.00 ATOM 606 CG GLU 78 24.252 8.916 32.353 1.00 0.00 ATOM 607 CD GLU 78 23.809 7.771 31.437 1.00 0.00 ATOM 608 OE1 GLU 78 23.941 7.890 30.210 1.00 0.00 ATOM 609 OE2 GLU 78 23.343 6.750 31.955 1.00 0.00 ATOM 610 O GLU 78 26.070 12.926 30.881 1.00 0.00 ATOM 611 C GLU 78 26.444 11.914 31.476 1.00 0.00 ATOM 612 N VAL 79 27.681 11.439 31.384 1.00 0.00 ATOM 613 CA VAL 79 28.685 12.100 30.559 1.00 0.00 ATOM 614 CB VAL 79 29.568 12.988 31.464 1.00 0.00 ATOM 615 CG1 VAL 79 30.399 12.269 32.529 1.00 0.00 ATOM 616 CG2 VAL 79 30.539 13.777 30.620 1.00 0.00 ATOM 617 O VAL 79 30.018 10.105 30.595 1.00 0.00 ATOM 618 C VAL 79 29.628 11.073 29.941 1.00 0.00 ATOM 619 N GLU 80 29.995 11.284 28.680 1.00 0.00 ATOM 620 CA GLU 80 30.897 10.367 27.989 1.00 0.00 ATOM 621 CB GLU 80 29.996 9.231 27.373 1.00 0.00 ATOM 622 CG GLU 80 29.012 8.575 28.364 1.00 0.00 ATOM 623 CD GLU 80 29.631 7.359 29.039 1.00 0.00 ATOM 624 OE1 GLU 80 30.884 7.211 29.081 1.00 0.00 ATOM 625 OE2 GLU 80 28.900 6.451 29.517 1.00 0.00 ATOM 626 O GLU 80 31.646 12.081 26.478 1.00 0.00 ATOM 627 C GLU 80 31.967 11.178 27.252 1.00 0.00 ATOM 628 N THR 81 33.234 10.854 27.495 1.00 0.00 ATOM 629 CA THR 81 34.332 11.561 26.846 1.00 0.00 ATOM 630 CB THR 81 35.620 11.267 27.613 1.00 0.00 ATOM 631 CG2 THR 81 35.513 11.727 29.068 1.00 0.00 ATOM 632 OG1 THR 81 35.959 9.881 27.556 1.00 0.00 ATOM 633 O THR 81 33.837 10.190 24.961 1.00 0.00 ATOM 634 C THR 81 34.519 11.104 25.428 1.00 0.00 ATOM 635 N ALA 82 35.450 11.739 24.724 1.00 0.00 ATOM 636 CA ALA 82 35.725 11.383 23.337 1.00 0.00 ATOM 637 CB ALA 82 35.782 12.589 22.352 1.00 0.00 ATOM 638 O ALA 82 37.987 10.878 23.888 1.00 0.00 ATOM 639 C ALA 82 37.011 10.621 23.182 1.00 0.00 ATOM 640 N GLY 83 37.024 9.671 22.253 1.00 0.00 ATOM 641 CA GLY 83 38.216 8.867 22.010 1.00 0.00 ATOM 642 O GLY 83 38.830 10.796 20.720 1.00 0.00 ATOM 643 C GLY 83 39.120 9.649 21.062 1.00 0.00 ATOM 644 N THR 84 40.215 9.025 20.637 1.00 0.00 ATOM 645 CA THR 84 41.177 9.684 19.706 1.00 0.00 ATOM 646 CB THR 84 42.382 8.781 19.362 1.00 0.00 ATOM 647 CG2 THR 84 43.406 9.488 18.459 1.00 0.00 ATOM 648 OG1 THR 84 43.010 8.316 20.549 1.00 0.00 ATOM 649 O THR 84 40.659 11.123 17.857 1.00 0.00 ATOM 650 C THR 84 40.486 10.026 18.390 1.00 0.00 ATOM 651 N PHE 85 39.703 9.086 17.869 1.00 0.00 ATOM 652 CA PHE 85 38.980 9.305 16.598 1.00 0.00 ATOM 653 CB PHE 85 38.738 7.983 15.819 1.00 0.00 ATOM 654 CG PHE 85 37.858 6.991 16.544 1.00 0.00 ATOM 655 CD1 PHE 85 36.498 7.197 16.668 1.00 0.00 ATOM 656 CD2 PHE 85 38.407 5.793 17.031 1.00 0.00 ATOM 657 CE1 PHE 85 35.677 6.219 17.261 1.00 0.00 ATOM 658 CE2 PHE 85 37.555 4.816 17.622 1.00 0.00 ATOM 659 CZ PHE 85 36.210 5.062 17.717 1.00 0.00 ATOM 660 O PHE 85 37.068 10.471 15.658 1.00 0.00 ATOM 661 C PHE 85 37.653 10.129 16.687 1.00 0.00 ATOM 662 N ASP 86 37.208 10.429 17.903 1.00 0.00 ATOM 663 CA ASP 86 35.982 11.196 18.090 1.00 0.00 ATOM 664 CB ASP 86 35.261 10.702 19.343 1.00 0.00 ATOM 665 CG ASP 86 34.781 9.256 19.195 1.00 0.00 ATOM 666 OD1 ASP 86 34.291 8.893 18.113 1.00 0.00 ATOM 667 OD2 ASP 86 35.182 8.453 20.068 1.00 0.00 ATOM 668 O ASP 86 37.243 13.119 18.844 1.00 0.00 ATOM 669 C ASP 86 36.230 12.718 18.269 1.00 0.00 ATOM 670 N MET 87 35.307 13.541 17.778 1.00 0.00 ATOM 671 CA MET 87 35.445 14.988 17.897 1.00 0.00 ATOM 672 CB MET 87 35.199 15.669 16.550 1.00 0.00 ATOM 673 CG MET 87 36.174 15.309 15.433 1.00 0.00 ATOM 674 SD MET 87 37.858 15.934 15.770 1.00 0.00 ATOM 675 CE MET 87 37.554 17.693 15.693 1.00 0.00 ATOM 676 O MET 87 34.318 16.815 18.981 1.00 0.00 ATOM 677 C MET 87 34.438 15.600 18.883 1.00 0.00 ATOM 678 N ASP 88 33.854 14.754 19.730 1.00 0.00 ATOM 679 CA ASP 88 32.802 15.209 20.646 1.00 0.00 ATOM 680 CB ASP 88 31.448 15.144 19.955 1.00 0.00 ATOM 681 CG ASP 88 31.063 13.732 19.494 1.00 0.00 ATOM 682 OD1 ASP 88 30.231 13.097 20.157 1.00 0.00 ATOM 683 OD2 ASP 88 31.631 13.393 18.448 1.00 0.00 ATOM 684 O ASP 88 33.083 13.236 21.999 1.00 0.00 ATOM 685 C ASP 88 32.693 14.396 21.912 1.00 0.00 ATOM 686 N ALA 89 32.294 15.120 22.923 1.00 0.00 ATOM 687 CA ALA 89 31.896 14.546 24.199 1.00 0.00 ATOM 688 CB ALA 89 32.608 15.390 25.259 1.00 0.00 ATOM 689 O ALA 89 29.809 15.652 23.758 1.00 0.00 ATOM 690 C ALA 89 30.372 14.678 24.279 1.00 0.00 ATOM 691 N GLU 90 29.737 13.716 24.928 1.00 0.00 ATOM 692 CA GLU 90 28.270 13.718 25.071 1.00 0.00 ATOM 693 CB GLU 90 27.701 12.471 24.414 1.00 0.00 ATOM 694 CG GLU 90 26.169 12.512 24.240 1.00 0.00 ATOM 695 CD GLU 90 25.643 11.343 23.397 1.00 0.00 ATOM 696 OE1 GLU 90 26.458 10.548 22.905 1.00 0.00 ATOM 697 OE2 GLU 90 24.405 11.207 23.255 1.00 0.00 ATOM 698 O GLU 90 28.587 13.405 27.448 1.00 0.00 ATOM 699 C GLU 90 27.883 13.845 26.546 1.00 0.00 ATOM 700 N LEU 91 26.921 14.732 26.735 1.00 0.00 ATOM 701 CA LEU 91 26.276 14.942 28.045 1.00 0.00 ATOM 702 CB LEU 91 26.345 16.422 28.460 1.00 0.00 ATOM 703 CG LEU 91 25.636 16.726 29.787 1.00 0.00 ATOM 704 CD1 LEU 91 26.439 16.278 31.005 1.00 0.00 ATOM 705 CD2 LEU 91 25.298 18.206 29.859 1.00 0.00 ATOM 706 O LEU 91 24.155 14.951 26.924 1.00 0.00 ATOM 707 C LEU 91 24.809 14.553 27.887 1.00 0.00 ATOM 708 N LYS 92 24.297 13.776 28.836 1.00 0.00 ATOM 709 CA LYS 92 22.922 13.353 28.784 1.00 0.00 ATOM 710 CB LYS 92 22.839 11.869 28.452 1.00 0.00 ATOM 711 CG LYS 92 23.306 11.564 27.040 1.00 0.00 ATOM 712 CD LYS 92 23.254 10.058 26.814 1.00 0.00 ATOM 713 CE LYS 92 23.775 9.720 25.431 1.00 0.00 ATOM 714 NZ LYS 92 23.894 8.289 25.177 1.00 0.00 ATOM 715 O LYS 92 22.829 13.499 31.146 1.00 0.00 ATOM 716 C LYS 92 22.217 13.525 30.077 1.00 0.00 ATOM 717 N LEU 93 20.902 13.703 30.004 1.00 0.00 ATOM 718 CA LEU 93 20.096 13.881 31.206 1.00 0.00 ATOM 719 CB LEU 93 20.503 15.225 31.793 1.00 0.00 ATOM 720 CG LEU 93 20.440 16.409 30.850 1.00 0.00 ATOM 721 CD1 LEU 93 19.064 17.022 30.797 1.00 0.00 ATOM 722 CD2 LEU 93 21.419 17.432 31.346 1.00 0.00 ATOM 723 O LEU 93 18.306 13.696 29.608 1.00 0.00 ATOM 724 C LEU 93 18.626 13.823 30.793 1.00 0.00 ATOM 725 N TRP 94 17.785 13.743 31.809 1.00 0.00 ATOM 726 CA TRP 94 16.335 13.720 31.621 1.00 0.00 ATOM 727 CB TRP 94 15.758 12.367 32.052 1.00 0.00 ATOM 728 CG TRP 94 16.030 11.284 31.005 1.00 0.00 ATOM 729 CD1 TRP 94 15.157 10.872 30.089 1.00 0.00 ATOM 730 CD2 TRP 94 17.176 10.522 30.857 1.00 0.00 ATOM 731 CE2 TRP 94 16.922 9.648 29.811 1.00 0.00 ATOM 732 CE3 TRP 94 18.413 10.513 31.483 1.00 0.00 ATOM 733 NE1 TRP 94 15.705 9.900 29.366 1.00 0.00 ATOM 734 CZ2 TRP 94 17.870 8.734 29.406 1.00 0.00 ATOM 735 CZ3 TRP 94 19.371 9.599 31.079 1.00 0.00 ATOM 736 CH2 TRP 94 19.081 8.716 30.057 1.00 0.00 ATOM 737 O TRP 94 15.901 15.054 33.569 1.00 0.00 ATOM 738 C TRP 94 15.697 14.889 32.366 1.00 0.00 ATOM 739 N ILE 95 14.923 15.698 31.648 1.00 0.00 ATOM 740 CA ILE 95 14.286 16.807 32.249 1.00 0.00 ATOM 741 CB ILE 95 14.742 18.068 31.541 1.00 0.00 ATOM 742 CG1 ILE 95 16.183 18.365 31.899 1.00 0.00 ATOM 743 CG2 ILE 95 13.789 19.191 31.899 1.00 0.00 ATOM 744 CD1 ILE 95 16.813 19.469 31.065 1.00 0.00 ATOM 745 O ILE 95 12.172 16.560 31.141 1.00 0.00 ATOM 746 C ILE 95 12.786 16.532 32.209 1.00 0.00 ATOM 747 N SER 96 12.199 16.271 33.372 1.00 0.00 ATOM 748 CA SER 96 10.809 16.005 33.438 1.00 0.00 ATOM 749 CB SER 96 10.066 17.264 33.034 1.00 0.00 ATOM 750 OG SER 96 10.380 18.232 34.035 1.00 0.00 ATOM 751 O SER 96 9.413 14.986 31.781 1.00 0.00 ATOM 752 C SER 96 10.417 14.887 32.489 1.00 0.00 ATOM 753 N GLY 97 11.207 13.818 32.474 1.00 0.00 ATOM 754 CA GLY 97 10.926 12.682 31.604 1.00 0.00 ATOM 755 O GLY 97 11.425 11.717 29.466 1.00 0.00 ATOM 756 C GLY 97 11.432 12.730 30.166 1.00 0.00 ATOM 757 N GLN 98 11.870 13.905 29.729 1.00 0.00 ATOM 758 CA GLN 98 12.389 14.075 28.348 1.00 0.00 ATOM 759 CB GLN 98 11.999 15.457 27.811 1.00 0.00 ATOM 760 CG GLN 98 10.500 15.738 27.750 1.00 0.00 ATOM 761 CD GLN 98 9.768 14.882 26.730 1.00 0.00 ATOM 762 OE1 GLN 98 10.231 14.704 25.601 1.00 0.00 ATOM 763 NE2 GLN 98 8.603 14.368 27.115 1.00 0.00 ATOM 764 O GLN 98 14.641 14.293 29.157 1.00 0.00 ATOM 765 C GLN 98 13.891 13.781 28.326 1.00 0.00 ATOM 766 N LYS 99 14.323 12.959 27.375 1.00 0.00 ATOM 767 CA LYS 99 15.735 12.613 27.259 1.00 0.00 ATOM 768 CB LYS 99 15.938 11.298 26.505 1.00 0.00 ATOM 769 CG LYS 99 17.387 10.854 26.426 1.00 0.00 ATOM 770 CD LYS 99 17.497 9.445 25.858 1.00 0.00 ATOM 771 CE LYS 99 18.002 9.437 24.427 1.00 0.00 ATOM 772 NZ LYS 99 19.394 9.967 24.373 1.00 0.00 ATOM 773 O LYS 99 15.979 14.248 25.502 1.00 0.00 ATOM 774 C LYS 99 16.487 13.722 26.492 1.00 0.00 ATOM 775 N ASP 100 17.685 14.063 26.955 1.00 0.00 ATOM 776 CA ASP 100 18.481 15.098 26.304 1.00 0.00 ATOM 777 CB ASP 100 18.372 16.502 26.982 1.00 0.00 ATOM 778 CG ASP 100 16.947 16.995 27.189 1.00 0.00 ATOM 779 OD1 ASP 100 16.160 17.007 26.223 1.00 0.00 ATOM 780 OD2 ASP 100 16.551 17.432 28.295 1.00 0.00 ATOM 781 O ASP 100 20.817 15.387 26.736 1.00 0.00 ATOM 782 C ASP 100 19.951 14.868 26.034 1.00 0.00 ATOM 783 N PRO 101 20.305 14.252 24.991 1.00 0.00 ATOM 784 CA PRO 101 21.674 13.860 24.677 1.00 0.00 ATOM 785 CB PRO 101 21.491 12.564 23.893 1.00 0.00 ATOM 786 CG PRO 101 20.206 12.797 23.154 1.00 0.00 ATOM 787 CD PRO 101 19.327 13.547 24.128 1.00 0.00 ATOM 788 O PRO 101 21.820 15.105 22.632 1.00 0.00 ATOM 789 C PRO 101 22.269 14.928 23.764 1.00 0.00 ATOM 790 N LEU 102 23.280 15.635 24.258 1.00 0.00 ATOM 791 CA LEU 102 23.918 16.669 23.476 1.00 0.00 ATOM 792 CB LEU 102 23.650 17.975 24.229 1.00 0.00 ATOM 793 CG LEU 102 24.284 19.204 23.581 1.00 0.00 ATOM 794 CD1 LEU 102 23.913 19.392 22.108 1.00 0.00 ATOM 795 CD2 LEU 102 24.034 20.431 24.451 1.00 0.00 ATOM 796 O LEU 102 26.198 16.276 24.112 1.00 0.00 ATOM 797 C LEU 102 25.399 16.446 23.191 1.00 0.00 ATOM 798 N VAL 103 25.765 16.448 21.912 1.00 0.00 ATOM 799 CA VAL 103 27.167 16.246 21.517 1.00 0.00 ATOM 800 CB VAL 103 27.119 15.556 20.142 1.00 0.00 ATOM 801 CG1 VAL 103 28.419 15.678 19.360 1.00 0.00 ATOM 802 CG2 VAL 103 26.865 14.058 20.250 1.00 0.00 ATOM 803 O VAL 103 27.277 18.505 20.767 1.00 0.00 ATOM 804 C VAL 103 27.809 17.599 21.410 1.00 0.00 ATOM 805 N LYS 104 28.969 17.750 22.042 1.00 0.00 ATOM 806 CA LYS 104 29.689 19.018 22.007 1.00 0.00 ATOM 807 CB LYS 104 29.700 19.748 23.351 1.00 0.00 ATOM 808 CG LYS 104 28.467 20.632 23.528 1.00 0.00 ATOM 809 CD LYS 104 27.307 19.863 24.146 1.00 0.00 ATOM 810 CE LYS 104 27.488 19.521 25.619 1.00 0.00 ATOM 811 NZ LYS 104 26.370 18.730 26.164 1.00 0.00 ATOM 812 O LYS 104 31.684 17.695 21.840 1.00 0.00 ATOM 813 C LYS 104 31.127 18.761 21.572 1.00 0.00 ATOM 814 N GLU 105 31.727 19.737 20.898 1.00 0.00 ATOM 815 CA GLU 105 33.093 19.600 20.439 1.00 0.00 ATOM 816 CB GLU 105 33.498 20.933 19.837 1.00 0.00 ATOM 817 CG GLU 105 34.888 20.901 19.207 1.00 0.00 ATOM 818 CD GLU 105 35.209 22.246 18.569 1.00 0.00 ATOM 819 OE1 GLU 105 34.247 22.939 18.165 1.00 0.00 ATOM 820 OE2 GLU 105 36.414 22.575 18.505 1.00 0.00 ATOM 821 O GLU 105 33.825 19.856 22.698 1.00 0.00 ATOM 822 C GLU 105 33.929 19.231 21.641 1.00 0.00 ATOM 823 N LEU 106 34.766 18.210 21.487 1.00 0.00 ATOM 824 CA LEU 106 35.627 17.767 22.577 1.00 0.00 ATOM 825 CB LEU 106 36.321 16.461 22.175 1.00 0.00 ATOM 826 CG LEU 106 37.163 15.895 23.324 1.00 0.00 ATOM 827 CD1 LEU 106 36.322 15.433 24.528 1.00 0.00 ATOM 828 CD2 LEU 106 38.201 14.899 22.801 1.00 0.00 ATOM 829 O LEU 106 36.991 18.935 24.215 1.00 0.00 ATOM 830 C LEU 106 36.609 18.895 23.044 1.00 0.00 ATOM 831 N LYS 107 36.992 19.781 22.130 1.00 0.00 ATOM 832 CA LYS 107 37.901 20.871 22.468 1.00 0.00 ATOM 833 CB LYS 107 38.411 21.457 21.069 1.00 0.00 ATOM 834 CG LYS 107 39.318 20.507 20.255 1.00 0.00 ATOM 835 CD LYS 107 40.016 21.222 19.078 1.00 0.00 ATOM 836 CE LYS 107 39.106 21.324 17.890 1.00 0.00 ATOM 837 NZ LYS 107 39.663 22.205 16.817 1.00 0.00 ATOM 838 O LYS 107 38.123 22.400 24.303 1.00 0.00 ATOM 839 C LYS 107 37.361 21.727 23.608 1.00 0.00 ATOM 840 N LYS 108 36.045 21.702 23.799 1.00 0.00 ATOM 841 CA LYS 108 35.423 22.479 24.860 1.00 0.00 ATOM 842 CB LYS 108 34.467 23.496 24.262 1.00 0.00 ATOM 843 CG LYS 108 35.211 24.645 23.573 1.00 0.00 ATOM 844 CD LYS 108 35.951 25.527 24.586 1.00 0.00 ATOM 845 CE LYS 108 36.544 26.749 23.931 1.00 0.00 ATOM 846 NZ LYS 108 37.155 27.683 24.908 1.00 0.00 ATOM 847 O LYS 108 34.139 22.051 26.859 1.00 0.00 ATOM 848 C LYS 108 35.034 21.658 26.109 1.00 0.00 ATOM 849 N GLY 109 35.707 20.531 26.319 1.00 0.00 ATOM 850 CA GLY 109 35.421 19.683 27.471 1.00 0.00 ATOM 851 O GLY 109 34.679 20.153 29.739 1.00 0.00 ATOM 852 C GLY 109 35.473 20.441 28.843 1.00 0.00 ATOM 853 N THR 110 36.399 21.386 28.978 1.00 0.00 ATOM 854 CA THR 110 36.526 22.149 30.214 1.00 0.00 ATOM 855 CB THR 110 37.610 23.233 30.072 1.00 0.00 ATOM 856 CG2 THR 110 37.760 24.118 31.325 1.00 0.00 ATOM 857 OG1 THR 110 38.866 22.630 29.765 1.00 0.00 ATOM 858 O THR 110 34.806 22.775 31.778 1.00 0.00 ATOM 859 C THR 110 35.176 22.796 30.607 1.00 0.00 ATOM 860 N ASP 111 34.427 23.214 29.600 1.00 0.00 ATOM 861 CA ASP 111 33.143 23.894 29.812 1.00 0.00 ATOM 862 CB ASP 111 32.838 24.873 28.684 1.00 0.00 ATOM 863 CG ASP 111 33.812 26.050 28.542 1.00 0.00 ATOM 864 OD1 ASP 111 34.513 26.331 29.530 1.00 0.00 ATOM 865 OD2 ASP 111 33.998 26.527 27.391 1.00 0.00 ATOM 866 O ASP 111 31.138 23.042 30.766 1.00 0.00 ATOM 867 C ASP 111 32.024 22.886 29.953 1.00 0.00 ATOM 868 N VAL 112 32.034 21.805 29.124 1.00 0.00 ATOM 869 CA VAL 112 30.968 20.810 29.255 1.00 0.00 ATOM 870 CB VAL 112 31.118 19.788 28.126 1.00 0.00 ATOM 871 CG1 VAL 112 29.995 18.775 28.271 1.00 0.00 ATOM 872 CG2 VAL 112 30.951 20.411 26.741 1.00 0.00 ATOM 873 O VAL 112 30.061 19.705 31.224 1.00 0.00 ATOM 874 C VAL 112 31.054 20.118 30.627 1.00 0.00 ATOM 875 N VAL 113 32.240 19.914 31.145 1.00 0.00 ATOM 876 CA VAL 113 32.366 19.291 32.472 1.00 0.00 ATOM 877 CB VAL 113 33.832 18.959 32.755 1.00 0.00 ATOM 878 CG1 VAL 113 33.985 18.437 34.177 1.00 0.00 ATOM 879 CG2 VAL 113 34.329 17.880 31.787 1.00 0.00 ATOM 880 O VAL 113 31.007 19.680 34.411 1.00 0.00 ATOM 881 C VAL 113 31.682 20.177 33.509 1.00 0.00 ATOM 882 N GLY 114 31.857 21.489 33.377 1.00 0.00 ATOM 883 CA GLY 114 31.233 22.467 34.332 1.00 0.00 ATOM 884 O GLY 114 29.052 22.402 35.394 1.00 0.00 ATOM 885 C GLY 114 29.677 22.325 34.336 1.00 0.00 ATOM 886 N ILE 115 29.087 22.121 33.163 1.00 0.00 ATOM 887 CA ILE 115 27.640 21.974 33.061 1.00 0.00 ATOM 888 CB ILE 115 27.123 21.873 31.610 1.00 0.00 ATOM 889 CG1 ILE 115 25.600 21.871 31.516 1.00 0.00 ATOM 890 CG2 ILE 115 27.419 20.584 30.874 1.00 0.00 ATOM 891 CD1 ILE 115 24.863 23.072 32.064 1.00 0.00 ATOM 892 O ILE 115 26.115 20.772 34.468 1.00 0.00 ATOM 893 C ILE 115 27.166 20.746 33.827 1.00 0.00 ATOM 894 N GLN 116 27.943 19.670 33.762 1.00 0.00 ATOM 895 CA GLN 116 27.590 18.438 34.459 1.00 0.00 ATOM 896 CB GLN 116 28.615 17.357 34.158 1.00 0.00 ATOM 897 CG GLN 116 28.228 16.061 34.860 1.00 0.00 ATOM 898 CD GLN 116 29.211 14.961 34.501 1.00 0.00 ATOM 899 OE1 GLN 116 30.292 15.137 33.936 1.00 0.00 ATOM 900 NE2 GLN 116 28.817 13.776 34.856 1.00 0.00 ATOM 901 O GLN 116 26.449 18.434 36.574 1.00 0.00 ATOM 902 C GLN 116 27.480 18.722 35.970 1.00 0.00 ATOM 903 N LYS 117 28.433 19.525 36.456 1.00 0.00 ATOM 904 CA LYS 117 28.405 20.027 37.838 1.00 0.00 ATOM 905 CB LYS 117 29.650 20.847 38.170 1.00 0.00 ATOM 906 CG LYS 117 30.914 20.016 38.245 1.00 0.00 ATOM 907 CD LYS 117 32.089 20.929 38.595 1.00 0.00 ATOM 908 CE LYS 117 33.358 20.098 38.699 1.00 0.00 ATOM 909 NZ LYS 117 34.526 20.932 39.009 1.00 0.00 ATOM 910 O LYS 117 26.531 20.847 39.127 1.00 0.00 ATOM 911 C LYS 117 27.210 20.978 38.109 1.00 0.00 ATOM 912 N THR 118 26.971 21.918 37.199 1.00 0.00 ATOM 913 CA THR 118 25.870 22.860 37.357 1.00 0.00 ATOM 914 CB THR 118 25.901 23.853 36.195 1.00 0.00 ATOM 915 CG2 THR 118 24.771 24.863 36.246 1.00 0.00 ATOM 916 OG1 THR 118 27.122 24.592 36.225 1.00 0.00 ATOM 917 O THR 118 23.678 22.397 38.214 1.00 0.00 ATOM 918 C THR 118 24.523 22.146 37.354 1.00 0.00 ATOM 919 N ILE 119 24.324 21.256 36.387 1.00 0.00 ATOM 920 CA ILE 119 23.063 20.503 36.285 1.00 0.00 ATOM 921 CB ILE 119 23.166 19.618 35.031 1.00 0.00 ATOM 922 CG1 ILE 119 22.952 20.503 33.806 1.00 0.00 ATOM 923 CG2 ILE 119 22.250 18.395 35.074 1.00 0.00 ATOM 924 CD1 ILE 119 23.396 19.778 32.545 1.00 0.00 ATOM 925 O ILE 119 21.761 19.682 38.133 1.00 0.00 ATOM 926 C ILE 119 22.849 19.673 37.555 1.00 0.00 ATOM 927 N ALA 120 23.887 18.961 37.984 1.00 0.00 ATOM 928 CA ALA 120 23.794 18.138 39.184 1.00 0.00 ATOM 929 CB ALA 120 25.104 17.382 39.352 1.00 0.00 ATOM 930 O ALA 120 22.606 18.703 41.203 1.00 0.00 ATOM 931 C ALA 120 23.478 19.031 40.397 1.00 0.00 ATOM 932 N ASN 121 24.186 20.150 40.516 1.00 0.00 ATOM 933 CA ASN 121 23.965 21.069 41.627 1.00 0.00 ATOM 934 CB ASN 121 24.979 22.192 41.560 1.00 0.00 ATOM 935 CG ASN 121 26.359 21.707 41.970 1.00 0.00 ATOM 936 ND2 ASN 121 27.327 22.519 41.646 1.00 0.00 ATOM 937 OD1 ASN 121 26.567 20.707 42.627 1.00 0.00 ATOM 938 O ASN 121 21.862 21.680 42.647 1.00 0.00 ATOM 939 C ASN 121 22.515 21.611 41.605 1.00 0.00 ATOM 940 N PHE 122 22.032 21.986 40.425 1.00 0.00 ATOM 941 CA PHE 122 20.677 22.509 40.294 1.00 0.00 ATOM 942 CB PHE 122 20.406 22.968 38.864 1.00 0.00 ATOM 943 CG PHE 122 21.218 24.203 38.472 1.00 0.00 ATOM 944 CD1 PHE 122 21.939 24.930 39.411 1.00 0.00 ATOM 945 CD2 PHE 122 21.162 24.637 37.149 1.00 0.00 ATOM 946 CE1 PHE 122 22.603 26.079 39.035 1.00 0.00 ATOM 947 CE2 PHE 122 21.815 25.808 36.782 1.00 0.00 ATOM 948 CZ PHE 122 22.534 26.523 37.730 1.00 0.00 ATOM 949 O PHE 122 18.745 21.652 41.431 1.00 0.00 ATOM 950 C PHE 122 19.698 21.408 40.689 1.00 0.00 ATOM 951 N SER 123 19.933 20.197 40.193 1.00 0.00 ATOM 952 CA SER 123 19.078 19.103 40.504 1.00 0.00 ATOM 953 CB SER 123 19.590 17.989 39.577 1.00 0.00 ATOM 954 OG SER 123 20.671 17.245 40.128 1.00 0.00 ATOM 955 O SER 123 18.313 17.902 42.461 1.00 0.00 ATOM 956 C SER 123 19.145 18.684 41.998 1.00 0.00 ATOM 957 N LEU 124 20.125 19.207 42.726 1.00 0.00 ATOM 958 CA LEU 124 20.274 18.880 44.140 1.00 0.00 ATOM 959 CB LEU 124 21.759 18.841 44.526 1.00 0.00 ATOM 960 CG LEU 124 22.536 17.715 43.849 1.00 0.00 ATOM 961 CD1 LEU 124 24.012 17.796 44.243 1.00 0.00 ATOM 962 CD2 LEU 124 21.932 16.333 44.126 1.00 0.00 ATOM 963 O LEU 124 18.997 20.858 44.438 1.00 0.00 ATOM 964 C LEU 124 19.563 19.916 45.012 1.00 0.00 TER END