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 1 Tue Jul 1 14:09:01 2008 MODEL 1 PARENT N/A ATOM 1 N MET 1 28.373 25.370 10.479 1.00 0.00 ATOM 2 CA MET 1 29.078 24.375 11.292 1.00 0.00 ATOM 3 CB MET 1 28.513 24.296 12.711 1.00 0.00 ATOM 4 CG MET 1 28.616 25.607 13.486 1.00 0.00 ATOM 5 SD MET 1 30.343 26.022 13.893 1.00 0.00 ATOM 6 CE MET 1 30.657 24.712 15.049 1.00 0.00 ATOM 7 O MET 1 29.981 22.264 10.568 1.00 0.00 ATOM 8 C MET 1 28.998 23.001 10.598 1.00 0.00 ATOM 9 N GLY 2 27.843 22.681 10.027 1.00 0.00 ATOM 10 CA GLY 2 27.641 21.398 9.340 1.00 0.00 ATOM 11 O GLY 2 27.655 19.044 9.808 1.00 0.00 ATOM 12 C GLY 2 27.508 20.183 10.254 1.00 0.00 ATOM 13 N LEU 3 27.230 20.428 11.530 1.00 0.00 ATOM 14 CA LEU 3 27.080 19.344 12.490 1.00 0.00 ATOM 15 CB LEU 3 28.459 19.093 13.189 1.00 0.00 ATOM 16 CG LEU 3 29.600 18.616 12.278 1.00 0.00 ATOM 17 CD1 LEU 3 30.919 18.525 13.075 1.00 0.00 ATOM 18 CD2 LEU 3 29.251 17.257 11.672 1.00 0.00 ATOM 19 O LEU 3 25.428 18.441 13.992 1.00 0.00 ATOM 20 C LEU 3 25.643 19.003 12.917 1.00 0.00 ATOM 21 N LEU 4 24.673 19.342 12.075 1.00 0.00 ATOM 22 CA LEU 4 23.274 19.062 12.380 1.00 0.00 ATOM 23 CB LEU 4 22.444 19.011 10.897 1.00 0.00 ATOM 24 CG LEU 4 22.518 20.072 9.849 1.00 0.00 ATOM 25 CD1 LEU 4 22.276 19.488 8.475 1.00 0.00 ATOM 26 CD2 LEU 4 21.577 21.241 10.173 1.00 0.00 ATOM 27 O LEU 4 22.274 17.208 13.528 1.00 0.00 ATOM 28 C LEU 4 23.037 17.577 12.633 1.00 0.00 ATOM 29 N ASP 5 23.667 16.729 11.827 1.00 0.00 ATOM 30 CA ASP 5 23.490 15.305 11.962 1.00 0.00 ATOM 31 CB ASP 5 24.156 14.587 10.785 1.00 0.00 ATOM 32 CG ASP 5 23.317 14.592 9.524 1.00 0.00 ATOM 33 OD1 ASP 5 22.094 14.860 9.558 1.00 0.00 ATOM 34 OD2 ASP 5 23.906 14.310 8.464 1.00 0.00 ATOM 35 O ASP 5 23.506 13.831 13.871 1.00 0.00 ATOM 36 C ASP 5 24.051 14.774 13.296 1.00 0.00 ATOM 37 N ALA 6 25.132 15.383 13.774 1.00 0.00 ATOM 38 CA ALA 6 25.743 14.962 15.030 1.00 0.00 ATOM 39 CB ALA 6 27.224 14.759 14.804 1.00 0.00 ATOM 40 O ALA 6 25.879 15.637 17.329 1.00 0.00 ATOM 41 C ALA 6 25.405 15.861 16.214 1.00 0.00 ATOM 42 N LEU 7 24.619 16.860 15.963 1.00 0.00 ATOM 43 CA LEU 7 24.211 17.794 17.037 1.00 0.00 ATOM 44 CB LEU 7 23.206 17.090 17.968 1.00 0.00 ATOM 45 CG LEU 7 21.953 16.548 17.305 1.00 0.00 ATOM 46 CD1 LEU 7 21.103 15.899 18.386 1.00 0.00 ATOM 47 CD2 LEU 7 21.149 17.695 16.727 1.00 0.00 ATOM 48 O LEU 7 25.155 18.679 19.068 1.00 0.00 ATOM 49 C LEU 7 25.338 18.414 17.879 1.00 0.00 ATOM 50 N MET 8 26.480 18.677 17.250 1.00 0.00 ATOM 51 CA MET 8 27.598 19.307 17.944 1.00 0.00 ATOM 52 CB MET 8 28.982 18.988 17.361 1.00 0.00 ATOM 53 CG MET 8 30.110 19.939 17.783 1.00 0.00 ATOM 54 SD MET 8 30.276 21.430 16.731 1.00 0.00 ATOM 55 CE MET 8 31.115 20.547 15.454 1.00 0.00 ATOM 56 O MET 8 27.147 21.638 17.596 1.00 0.00 ATOM 57 C MET 8 27.475 20.759 18.394 1.00 0.00 ATOM 58 N GLY 9 27.740 21.009 19.673 1.00 0.00 ATOM 59 CA GLY 9 27.655 22.340 20.195 1.00 0.00 ATOM 60 O GLY 9 29.989 22.325 20.801 1.00 0.00 ATOM 61 C GLY 9 28.946 22.983 20.651 1.00 0.00 ATOM 62 N ASN 10 28.863 24.230 20.891 1.00 0.00 ATOM 63 CA ASN 10 29.926 25.059 21.423 1.00 0.00 ATOM 64 CB ASN 10 29.987 26.311 20.533 1.00 0.00 ATOM 65 CG ASN 10 30.177 25.908 19.054 1.00 0.00 ATOM 66 ND2 ASN 10 31.263 26.329 18.474 1.00 0.00 ATOM 67 OD1 ASN 10 29.392 25.214 18.422 1.00 0.00 ATOM 68 O ASN 10 28.574 25.596 23.348 1.00 0.00 ATOM 69 C ASN 10 29.696 25.354 22.899 1.00 0.00 ATOM 70 N ALA 11 30.772 25.071 23.625 1.00 0.00 ATOM 71 CA ALA 11 30.771 25.173 25.093 1.00 0.00 ATOM 72 CB ALA 11 31.448 23.968 25.729 1.00 0.00 ATOM 73 O ALA 11 31.518 26.709 26.779 1.00 0.00 ATOM 74 C ALA 11 31.433 26.459 25.575 1.00 0.00 ATOM 75 N ALA 12 31.901 27.274 24.636 1.00 0.00 ATOM 76 CA ALA 12 32.571 28.569 24.981 1.00 0.00 ATOM 77 CB ALA 12 33.009 29.177 23.645 1.00 0.00 ATOM 78 O ALA 12 30.398 29.370 25.637 1.00 0.00 ATOM 79 C ALA 12 31.614 29.570 25.644 1.00 0.00 ATOM 80 N GLU 13 32.165 30.640 26.210 1.00 0.00 ATOM 81 CA GLU 13 31.347 31.654 26.865 1.00 0.00 ATOM 82 CB GLU 13 32.174 32.235 28.008 1.00 0.00 ATOM 83 CG GLU 13 32.903 31.155 28.821 1.00 0.00 ATOM 84 CD GLU 13 33.730 31.823 29.918 1.00 0.00 ATOM 85 OE1 GLU 13 34.483 32.786 29.664 1.00 0.00 ATOM 86 OE2 GLU 13 33.524 31.419 31.067 1.00 0.00 ATOM 87 O GLU 13 31.305 33.900 25.978 1.00 0.00 ATOM 88 C GLU 13 30.910 32.740 25.854 1.00 0.00 ATOM 89 N VAL 14 30.103 32.355 24.870 1.00 0.00 ATOM 90 CA VAL 14 29.630 33.301 23.866 1.00 0.00 ATOM 91 CB VAL 14 28.779 32.626 22.784 1.00 0.00 ATOM 92 CG1 VAL 14 29.616 31.760 21.856 1.00 0.00 ATOM 93 CG2 VAL 14 27.617 31.814 23.360 1.00 0.00 ATOM 94 O VAL 14 28.394 34.175 25.726 1.00 0.00 ATOM 95 C VAL 14 28.872 34.393 24.613 1.00 0.00 ATOM 96 N ASN 15 28.764 35.567 23.998 1.00 0.00 ATOM 97 CA ASN 15 28.046 36.708 24.624 1.00 0.00 ATOM 98 CB ASN 15 28.078 37.965 23.768 1.00 0.00 ATOM 99 CG ASN 15 27.370 39.122 24.470 1.00 0.00 ATOM 100 ND2 ASN 15 28.025 40.245 24.450 1.00 0.00 ATOM 101 OD1 ASN 15 26.301 39.043 25.047 1.00 0.00 ATOM 102 O ASN 15 25.865 35.919 24.017 1.00 0.00 ATOM 103 C ASN 15 26.650 36.179 24.929 1.00 0.00 ATOM 104 N LEU 16 26.342 36.018 26.213 1.00 0.00 ATOM 105 CA LEU 16 25.017 35.514 26.631 1.00 0.00 ATOM 106 CB LEU 16 24.851 35.754 28.130 1.00 0.00 ATOM 107 CG LEU 16 25.997 36.298 28.971 1.00 0.00 ATOM 108 CD1 LEU 16 25.472 36.890 30.285 1.00 0.00 ATOM 109 CD2 LEU 16 26.871 35.114 29.356 1.00 0.00 ATOM 110 O LEU 16 22.891 35.754 25.544 1.00 0.00 ATOM 111 C LEU 16 23.845 36.319 26.080 1.00 0.00 ATOM 112 N ASP 17 23.918 37.641 26.211 1.00 0.00 ATOM 113 CA ASP 17 22.864 38.498 25.721 1.00 0.00 ATOM 114 CB ASP 17 23.250 39.916 26.159 1.00 0.00 ATOM 115 CG ASP 17 23.049 40.109 27.664 1.00 0.00 ATOM 116 OD1 ASP 17 22.075 39.532 28.173 1.00 0.00 ATOM 117 OD2 ASP 17 23.951 40.693 28.312 1.00 0.00 ATOM 118 O ASP 17 21.586 38.435 23.689 1.00 0.00 ATOM 119 C ASP 17 22.705 38.435 24.202 1.00 0.00 ATOM 120 N GLU 18 23.825 38.381 23.488 1.00 0.00 ATOM 121 CA GLU 18 23.791 38.316 22.032 1.00 0.00 ATOM 122 CB GLU 18 25.217 38.287 21.480 1.00 0.00 ATOM 123 CG GLU 18 25.863 39.681 21.400 1.00 0.00 ATOM 124 CD GLU 18 27.357 39.655 21.021 1.00 0.00 ATOM 125 OE1 GLU 18 27.832 38.614 20.523 1.00 0.00 ATOM 126 OE2 GLU 18 28.094 40.611 21.339 1.00 0.00 ATOM 127 O GLU 18 22.214 37.014 20.776 1.00 0.00 ATOM 128 C GLU 18 23.082 37.020 21.651 1.00 0.00 ATOM 129 N LEU 19 23.451 35.926 22.306 1.00 0.00 ATOM 130 CA LEU 19 22.835 34.623 22.025 1.00 0.00 ATOM 131 CB LEU 19 23.610 33.545 22.777 1.00 0.00 ATOM 132 CG LEU 19 23.067 32.130 22.544 1.00 0.00 ATOM 133 CD1 LEU 19 23.006 31.844 21.037 1.00 0.00 ATOM 134 CD2 LEU 19 23.942 31.108 23.264 1.00 0.00 ATOM 135 O LEU 19 20.505 34.113 21.607 1.00 0.00 ATOM 136 C LEU 19 21.315 34.675 22.346 1.00 0.00 ATOM 137 N ALA 20 20.951 35.345 23.435 1.00 0.00 ATOM 138 CA ALA 20 19.550 35.455 23.822 1.00 0.00 ATOM 139 CB ALA 20 19.505 36.229 25.134 1.00 0.00 ATOM 140 O ALA 20 17.581 35.742 22.444 1.00 0.00 ATOM 141 C ALA 20 18.688 36.183 22.753 1.00 0.00 ATOM 142 N GLN 21 19.206 37.279 22.207 1.00 0.00 ATOM 143 CA GLN 21 18.479 38.033 21.193 1.00 0.00 ATOM 144 CB GLN 21 19.348 39.202 20.705 1.00 0.00 ATOM 145 CG GLN 21 18.631 39.964 19.589 1.00 0.00 ATOM 146 CD GLN 21 19.532 40.895 18.803 1.00 0.00 ATOM 147 OE1 GLN 21 19.670 40.775 17.591 1.00 0.00 ATOM 148 NE2 GLN 21 20.109 41.845 19.477 1.00 0.00 ATOM 149 O GLN 21 17.095 37.164 19.437 1.00 0.00 ATOM 150 C GLN 21 18.202 37.157 19.975 1.00 0.00 ATOM 151 N GLU 22 19.208 36.402 19.546 1.00 0.00 ATOM 152 CA GLU 22 19.056 35.516 18.385 1.00 0.00 ATOM 153 CB GLU 22 20.320 34.933 17.920 1.00 0.00 ATOM 154 CG GLU 22 21.210 35.919 17.176 1.00 0.00 ATOM 155 CD GLU 22 20.688 36.256 15.790 1.00 0.00 ATOM 156 OE1 GLU 22 19.615 35.735 15.413 1.00 0.00 ATOM 157 OE2 GLU 22 21.356 37.041 15.084 1.00 0.00 ATOM 158 O GLU 22 17.289 33.993 17.826 1.00 0.00 ATOM 159 C GLU 22 18.100 34.365 18.675 1.00 0.00 ATOM 160 N LEU 23 18.196 33.802 19.875 1.00 0.00 ATOM 161 CA LEU 23 17.323 32.686 20.267 1.00 0.00 ATOM 162 CB LEU 23 17.740 32.148 21.617 1.00 0.00 ATOM 163 CG LEU 23 19.051 31.402 21.498 1.00 0.00 ATOM 164 CD1 LEU 23 19.493 31.030 22.891 1.00 0.00 ATOM 165 CD2 LEU 23 18.899 30.176 20.621 1.00 0.00 ATOM 166 O LEU 23 14.976 32.437 19.842 1.00 0.00 ATOM 167 C LEU 23 15.862 33.110 20.368 1.00 0.00 ATOM 168 N GLY 24 15.614 34.227 21.044 1.00 0.00 ATOM 169 CA GLY 24 14.257 34.725 21.201 1.00 0.00 ATOM 170 O GLY 24 14.666 34.551 23.572 1.00 0.00 ATOM 171 C GLY 24 13.835 34.752 22.681 1.00 0.00 ATOM 172 N PRO 25 12.553 35.038 22.944 1.00 0.00 ATOM 173 CA PRO 25 12.052 35.369 24.282 1.00 0.00 ATOM 174 CB PRO 25 10.917 36.370 23.958 1.00 0.00 ATOM 175 CG PRO 25 10.251 35.649 22.824 1.00 0.00 ATOM 176 CD PRO 25 11.429 35.139 21.982 1.00 0.00 ATOM 177 O PRO 25 10.975 33.278 24.835 1.00 0.00 ATOM 178 C PRO 25 11.799 34.145 25.134 1.00 0.00 ATOM 179 N ILE 26 12.485 34.179 26.268 1.00 0.00 ATOM 180 CA ILE 26 12.434 33.101 27.267 1.00 0.00 ATOM 181 CB ILE 26 12.734 31.727 26.628 1.00 0.00 ATOM 182 CG1 ILE 26 12.354 30.626 27.621 1.00 0.00 ATOM 183 CG2 ILE 26 14.164 31.673 26.071 1.00 0.00 ATOM 184 CD1 ILE 26 12.245 29.245 26.990 1.00 0.00 ATOM 185 O ILE 26 13.276 32.889 29.519 1.00 0.00 ATOM 186 C ILE 26 13.421 33.405 28.399 1.00 0.00 ATOM 187 N MET 27 14.445 34.164 28.172 1.00 0.00 ATOM 188 CA MET 27 15.334 34.597 29.261 1.00 0.00 ATOM 189 CB MET 27 16.536 35.289 28.613 1.00 0.00 ATOM 190 CG MET 27 17.181 34.507 27.475 1.00 0.00 ATOM 191 SD MET 27 18.111 33.042 28.042 1.00 0.00 ATOM 192 CE MET 27 19.533 33.836 28.748 1.00 0.00 ATOM 193 O MET 27 14.285 36.726 29.492 1.00 0.00 ATOM 194 C MET 27 14.550 35.657 30.051 1.00 0.00 ATOM 195 N GLY 28 14.040 35.288 31.221 1.00 0.00 ATOM 196 CA GLY 28 13.012 36.096 31.925 1.00 0.00 ATOM 197 O GLY 28 14.394 37.513 33.282 1.00 0.00 ATOM 198 C GLY 28 13.300 36.962 33.147 1.00 0.00 ATOM 199 N ASP 29 12.319 37.081 34.036 1.00 0.00 ATOM 200 CA ASP 29 12.480 37.900 35.275 1.00 0.00 ATOM 201 CB ASP 29 11.171 37.740 36.041 1.00 0.00 ATOM 202 CG ASP 29 11.152 38.357 37.439 1.00 0.00 ATOM 203 OD1 ASP 29 11.830 39.392 37.603 1.00 0.00 ATOM 204 OD2 ASP 29 10.434 37.762 38.270 1.00 0.00 ATOM 205 O ASP 29 13.669 36.554 36.879 1.00 0.00 ATOM 206 C ASP 29 13.681 37.552 36.140 1.00 0.00 ATOM 207 N ASN 30 14.737 38.304 36.050 1.00 0.00 ATOM 208 CA ASN 30 15.971 38.017 36.803 1.00 0.00 ATOM 209 CB ASN 30 15.861 38.148 38.318 1.00 0.00 ATOM 210 CG ASN 30 17.240 38.420 38.894 1.00 0.00 ATOM 211 ND2 ASN 30 17.577 37.642 39.882 1.00 0.00 ATOM 212 OD1 ASN 30 18.036 39.230 38.436 1.00 0.00 ATOM 213 O ASN 30 17.565 36.263 37.151 1.00 0.00 ATOM 214 C ASN 30 16.603 36.669 36.498 1.00 0.00 ATOM 215 N GLU 31 16.062 35.974 35.502 1.00 0.00 ATOM 216 CA GLU 31 16.590 34.669 35.119 1.00 0.00 ATOM 217 CB GLU 31 15.586 34.176 34.104 1.00 0.00 ATOM 218 CG GLU 31 15.872 32.732 33.683 1.00 0.00 ATOM 219 CD GLU 31 14.917 32.298 32.565 1.00 0.00 ATOM 220 OE1 GLU 31 15.279 31.345 31.863 1.00 0.00 ATOM 221 OE2 GLU 31 13.823 32.890 32.479 1.00 0.00 ATOM 222 O GLU 31 18.221 35.884 33.814 1.00 0.00 ATOM 223 C GLU 31 17.971 34.888 34.492 1.00 0.00 ATOM 224 N GLN 32 18.877 33.987 34.839 1.00 0.00 ATOM 225 CA GLN 32 20.276 34.134 34.391 1.00 0.00 ATOM 226 CB GLN 32 21.190 34.461 35.579 1.00 0.00 ATOM 227 CG GLN 32 20.861 35.752 36.319 1.00 0.00 ATOM 228 CD GLN 32 20.774 36.955 35.397 1.00 0.00 ATOM 229 OE1 GLN 32 21.583 37.108 34.480 1.00 0.00 ATOM 230 NE2 GLN 32 19.803 37.826 35.648 1.00 0.00 ATOM 231 O GLN 32 20.683 31.773 34.257 1.00 0.00 ATOM 232 C GLN 32 20.854 32.880 33.744 1.00 0.00 ATOM 233 N LEU 33 21.538 33.054 32.617 1.00 0.00 ATOM 234 CA LEU 33 22.140 31.921 31.910 1.00 0.00 ATOM 235 CB LEU 33 22.395 32.233 30.438 1.00 0.00 ATOM 236 CG LEU 33 23.291 31.296 29.634 1.00 0.00 ATOM 237 CD1 LEU 33 22.702 29.892 29.665 1.00 0.00 ATOM 238 CD2 LEU 33 23.389 31.823 28.209 1.00 0.00 ATOM 239 O LEU 33 24.411 32.130 32.568 1.00 0.00 ATOM 240 C LEU 33 23.391 31.440 32.560 1.00 0.00 ATOM 241 N ALA 34 23.332 30.234 33.118 1.00 0.00 ATOM 242 CA ALA 34 24.492 29.653 33.784 1.00 0.00 ATOM 243 CB ALA 34 24.063 28.884 35.024 1.00 0.00 ATOM 244 O ALA 34 26.458 28.592 33.081 1.00 0.00 ATOM 245 C ALA 34 25.298 28.763 32.848 1.00 0.00 ATOM 246 N LEU 35 24.707 28.193 31.801 1.00 0.00 ATOM 247 CA LEU 35 25.475 27.539 30.742 1.00 0.00 ATOM 248 CB LEU 35 26.466 26.698 30.909 1.00 0.00 ATOM 249 CG LEU 35 27.781 27.401 31.254 1.00 0.00 ATOM 250 CD1 LEU 35 28.877 26.358 31.425 1.00 0.00 ATOM 251 CD2 LEU 35 28.149 28.394 30.160 1.00 0.00 ATOM 252 O LEU 35 23.470 26.845 29.598 1.00 0.00 ATOM 253 C LEU 35 24.652 27.189 29.526 1.00 0.00 ATOM 254 N ALA 36 25.297 27.508 28.425 1.00 0.00 ATOM 255 CA ALA 36 24.647 27.404 27.120 1.00 0.00 ATOM 256 CB ALA 36 24.391 28.775 26.504 1.00 0.00 ATOM 257 O ALA 36 26.694 26.792 26.143 1.00 0.00 ATOM 258 C ALA 36 25.471 26.604 26.197 1.00 0.00 ATOM 259 N TYR 37 24.789 25.744 25.483 1.00 0.00 ATOM 260 CA TYR 37 25.397 24.974 24.419 1.00 0.00 ATOM 261 CB TYR 37 25.948 23.611 24.866 1.00 0.00 ATOM 262 CG TYR 37 24.921 22.599 25.338 1.00 0.00 ATOM 263 CD1 TYR 37 24.530 22.476 26.666 1.00 0.00 ATOM 264 CD2 TYR 37 24.404 21.722 24.404 1.00 0.00 ATOM 265 CE1 TYR 37 23.643 21.494 27.071 1.00 0.00 ATOM 266 CE2 TYR 37 23.507 20.752 24.801 1.00 0.00 ATOM 267 CZ TYR 37 23.137 20.618 26.127 1.00 0.00 ATOM 268 OH TYR 37 22.429 19.525 26.525 1.00 0.00 ATOM 269 O TYR 37 23.408 25.066 23.082 1.00 0.00 ATOM 270 C TYR 37 24.626 25.244 23.133 1.00 0.00 ATOM 271 N ARG 38 25.336 25.671 22.093 1.00 0.00 ATOM 272 CA ARG 38 24.711 25.942 20.865 1.00 0.00 ATOM 273 CB ARG 38 25.084 27.384 20.473 1.00 0.00 ATOM 274 CG ARG 38 24.576 27.675 19.050 1.00 0.00 ATOM 275 CD ARG 38 24.719 29.126 18.674 1.00 0.00 ATOM 276 NE ARG 38 24.157 29.282 17.321 1.00 0.00 ATOM 277 CZ ARG 38 23.829 30.447 16.773 1.00 0.00 ATOM 278 NH1 ARG 38 23.936 31.586 17.440 1.00 0.00 ATOM 279 NH2 ARG 38 23.403 30.508 15.523 1.00 0.00 ATOM 280 O ARG 38 26.370 24.942 19.514 1.00 0.00 ATOM 281 C ARG 38 25.172 25.089 19.755 1.00 0.00 ATOM 282 N VAL 39 24.216 24.500 19.044 1.00 0.00 ATOM 283 CA VAL 39 24.538 23.629 17.920 1.00 0.00 ATOM 284 CB VAL 39 24.014 22.202 18.187 1.00 0.00 ATOM 285 CG1 VAL 39 24.485 21.632 19.524 1.00 0.00 ATOM 286 CG2 VAL 39 22.497 22.086 18.284 1.00 0.00 ATOM 287 O VAL 39 23.112 25.213 16.785 1.00 0.00 ATOM 288 C VAL 39 23.812 24.206 16.682 1.00 0.00 ATOM 289 N ILE 40 23.986 23.562 15.532 1.00 0.00 ATOM 290 CA ILE 40 23.344 24.022 14.305 1.00 0.00 ATOM 291 CB ILE 40 23.639 23.045 13.134 1.00 0.00 ATOM 292 CG1 ILE 40 25.109 23.176 12.704 1.00 0.00 ATOM 293 CG2 ILE 40 22.723 23.341 11.957 1.00 0.00 ATOM 294 CD1 ILE 40 26.128 22.753 13.743 1.00 0.00 ATOM 295 O ILE 40 21.232 25.020 13.821 1.00 0.00 ATOM 296 C ILE 40 21.821 24.153 14.456 1.00 0.00 ATOM 297 N ARG 41 21.232 23.119 15.043 1.00 0.00 ATOM 298 CA ARG 41 19.771 22.924 15.058 1.00 0.00 ATOM 299 CB ARG 41 19.450 21.546 14.477 1.00 0.00 ATOM 300 CG ARG 41 19.851 21.372 13.004 1.00 0.00 ATOM 301 CD ARG 41 19.741 19.900 12.602 1.00 0.00 ATOM 302 NE ARG 41 18.354 19.450 12.658 1.00 0.00 ATOM 303 CZ ARG 41 17.977 18.172 12.640 1.00 0.00 ATOM 304 NH1 ARG 41 18.876 17.198 12.582 1.00 0.00 ATOM 305 NH2 ARG 41 16.687 17.871 12.615 1.00 0.00 ATOM 306 O ARG 41 17.903 23.375 16.459 1.00 0.00 ATOM 307 C ARG 41 19.114 23.179 16.405 1.00 0.00 ATOM 308 N ASP 42 19.851 23.150 17.466 1.00 0.00 ATOM 309 CA ASP 42 19.264 23.349 18.784 1.00 0.00 ATOM 310 CB ASP 42 19.217 22.036 19.574 1.00 0.00 ATOM 311 CG ASP 42 18.323 21.018 18.871 1.00 0.00 ATOM 312 OD1 ASP 42 17.169 21.381 18.654 1.00 0.00 ATOM 313 OD2 ASP 42 18.860 19.989 18.421 1.00 0.00 ATOM 314 O ASP 42 21.273 24.478 19.468 1.00 0.00 ATOM 315 C ASP 42 20.056 24.297 19.649 1.00 0.00 ATOM 316 N MET 43 19.307 24.920 20.516 1.00 0.00 ATOM 317 CA MET 43 19.944 25.686 21.572 1.00 0.00 ATOM 318 CB MET 43 19.502 27.130 21.510 1.00 0.00 ATOM 319 CG MET 43 20.202 27.893 22.628 1.00 0.00 ATOM 320 SD MET 43 22.024 27.953 22.488 1.00 0.00 ATOM 321 CE MET 43 22.072 28.661 20.861 1.00 0.00 ATOM 322 O MET 43 18.233 25.251 23.146 1.00 0.00 ATOM 323 C MET 43 19.432 25.131 22.886 1.00 0.00 ATOM 324 N PHE 44 20.376 24.896 23.779 1.00 0.00 ATOM 325 CA PHE 44 20.040 24.470 25.145 1.00 0.00 ATOM 326 CB PHE 44 20.628 23.012 25.427 1.00 0.00 ATOM 327 CG PHE 44 20.088 21.961 24.486 1.00 0.00 ATOM 328 CD1 PHE 44 19.016 21.190 24.865 1.00 0.00 ATOM 329 CD2 PHE 44 20.628 21.803 23.226 1.00 0.00 ATOM 330 CE1 PHE 44 18.490 20.262 23.981 1.00 0.00 ATOM 331 CE2 PHE 44 20.115 20.907 22.310 1.00 0.00 ATOM 332 CZ PHE 44 19.039 20.113 22.701 1.00 0.00 ATOM 333 O PHE 44 21.842 25.594 26.259 1.00 0.00 ATOM 334 C PHE 44 20.624 25.493 26.113 1.00 0.00 ATOM 335 N VAL 45 19.753 26.249 26.774 1.00 0.00 ATOM 336 CA VAL 45 20.200 27.268 27.738 1.00 0.00 ATOM 337 CB VAL 45 19.617 28.625 27.303 1.00 0.00 ATOM 338 CG1 VAL 45 19.875 29.773 28.289 1.00 0.00 ATOM 339 CG2 VAL 45 20.213 29.062 25.974 1.00 0.00 ATOM 340 O VAL 45 18.549 26.758 29.375 1.00 0.00 ATOM 341 C VAL 45 19.744 26.912 29.121 1.00 0.00 ATOM 342 N PHE 46 20.699 26.775 30.037 1.00 0.00 ATOM 343 CA PHE 46 20.379 26.433 31.417 1.00 0.00 ATOM 344 CB PHE 46 21.319 25.309 31.938 1.00 0.00 ATOM 345 CG PHE 46 21.285 25.106 33.441 1.00 0.00 ATOM 346 CD1 PHE 46 20.417 24.179 34.015 1.00 0.00 ATOM 347 CD2 PHE 46 22.123 25.847 34.279 1.00 0.00 ATOM 348 CE1 PHE 46 20.383 23.994 35.397 1.00 0.00 ATOM 349 CE2 PHE 46 22.095 25.666 35.655 1.00 0.00 ATOM 350 CZ PHE 46 21.226 24.740 36.217 1.00 0.00 ATOM 351 O PHE 46 21.474 28.357 32.341 1.00 0.00 ATOM 352 C PHE 46 20.425 27.721 32.231 1.00 0.00 ATOM 353 N THR 47 19.286 28.105 32.800 1.00 0.00 ATOM 354 CA THR 47 19.217 29.317 33.598 1.00 0.00 ATOM 355 CB THR 47 18.044 30.209 33.165 1.00 0.00 ATOM 356 CG2 THR 47 18.157 30.554 31.678 1.00 0.00 ATOM 357 OG1 THR 47 16.778 29.641 33.535 1.00 0.00 ATOM 358 O THR 47 18.711 27.859 35.435 1.00 0.00 ATOM 359 C THR 47 18.933 29.012 35.065 1.00 0.00 ATOM 360 N ASN 48 18.939 30.048 35.898 1.00 0.00 ATOM 361 CA ASN 48 18.676 29.876 37.338 1.00 0.00 ATOM 362 CB ASN 48 18.796 31.207 38.053 1.00 0.00 ATOM 363 CG ASN 48 20.238 31.668 38.130 1.00 0.00 ATOM 364 ND2 ASN 48 20.384 32.951 38.306 1.00 0.00 ATOM 365 OD1 ASN 48 21.193 30.906 38.072 1.00 0.00 ATOM 366 O ASN 48 17.025 28.774 38.659 1.00 0.00 ATOM 367 C ASN 48 17.260 29.366 37.591 1.00 0.00 ATOM 368 N LYS 49 16.361 29.539 36.659 1.00 0.00 ATOM 369 CA LYS 49 14.956 29.171 36.867 1.00 0.00 ATOM 370 CB LYS 49 14.047 30.337 36.481 1.00 0.00 ATOM 371 CG LYS 49 14.259 31.586 37.329 1.00 0.00 ATOM 372 CD LYS 49 13.911 31.315 38.791 1.00 0.00 ATOM 373 CE LYS 49 13.949 32.637 39.532 1.00 0.00 ATOM 374 NZ LYS 49 13.663 32.372 40.924 1.00 0.00 ATOM 375 O LYS 49 13.524 27.289 36.440 1.00 0.00 ATOM 376 C LYS 49 14.502 27.945 36.068 1.00 0.00 ATOM 377 N ARG 50 15.113 27.727 34.896 1.00 0.00 ATOM 378 CA ARG 50 14.662 26.700 33.938 1.00 0.00 ATOM 379 CB ARG 50 13.680 27.355 32.981 1.00 0.00 ATOM 380 CG ARG 50 12.478 27.958 33.680 1.00 0.00 ATOM 381 CD ARG 50 11.862 28.846 32.632 1.00 0.00 ATOM 382 NE ARG 50 10.608 29.370 33.170 1.00 0.00 ATOM 383 CZ ARG 50 9.851 30.207 32.467 1.00 0.00 ATOM 384 NH1 ARG 50 10.252 30.668 31.287 1.00 0.00 ATOM 385 NH2 ARG 50 8.746 30.706 33.002 1.00 0.00 ATOM 386 O ARG 50 16.670 26.853 32.635 1.00 0.00 ATOM 387 C ARG 50 15.589 26.288 32.801 1.00 0.00 ATOM 388 N LEU 51 15.165 25.300 32.018 1.00 0.00 ATOM 389 CA LEU 51 15.969 24.826 30.898 1.00 0.00 ATOM 390 CB LEU 51 16.129 23.336 31.021 1.00 0.00 ATOM 391 CG LEU 51 16.985 22.616 29.984 1.00 0.00 ATOM 392 CD1 LEU 51 18.372 23.236 29.961 1.00 0.00 ATOM 393 CD2 LEU 51 17.055 21.128 30.332 1.00 0.00 ATOM 394 O LEU 51 13.965 24.890 29.533 1.00 0.00 ATOM 395 C LEU 51 15.135 25.244 29.692 1.00 0.00 ATOM 396 N ILE 52 15.680 26.234 28.998 1.00 0.00 ATOM 397 CA ILE 52 15.092 26.775 27.769 1.00 0.00 ATOM 398 CB ILE 52 15.519 28.241 27.578 1.00 0.00 ATOM 399 CG1 ILE 52 15.049 29.114 28.753 1.00 0.00 ATOM 400 CG2 ILE 52 15.113 28.753 26.187 1.00 0.00 ATOM 401 CD1 ILE 52 15.654 30.519 28.736 1.00 0.00 ATOM 402 O ILE 52 16.894 26.062 26.377 1.00 0.00 ATOM 403 C ILE 52 15.696 25.962 26.624 1.00 0.00 ATOM 404 N LEU 53 14.826 25.327 25.858 1.00 0.00 ATOM 405 CA LEU 53 15.299 24.510 24.720 1.00 0.00 ATOM 406 CB LEU 53 15.071 23.032 25.004 1.00 0.00 ATOM 407 CG LEU 53 15.579 22.529 26.357 1.00 0.00 ATOM 408 CD1 LEU 53 15.481 21.021 26.355 1.00 0.00 ATOM 409 CD2 LEU 53 17.020 22.919 26.674 1.00 0.00 ATOM 410 O LEU 53 13.392 24.890 23.307 1.00 0.00 ATOM 411 C LEU 53 14.613 24.885 23.409 1.00 0.00 ATOM 412 N ILE 54 15.392 25.351 22.450 1.00 0.00 ATOM 413 CA ILE 54 14.863 25.660 21.113 1.00 0.00 ATOM 414 CB ILE 54 15.370 27.011 20.634 1.00 0.00 ATOM 415 CG1 ILE 54 15.058 28.132 21.631 1.00 0.00 ATOM 416 CG2 ILE 54 14.799 27.339 19.274 1.00 0.00 ATOM 417 CD1 ILE 54 15.860 29.405 21.340 1.00 0.00 ATOM 418 O ILE 54 16.504 24.384 19.913 1.00 0.00 ATOM 419 C ILE 54 15.307 24.577 20.147 1.00 0.00 ATOM 420 N ASP 55 14.414 24.063 19.389 1.00 0.00 ATOM 421 CA ASP 55 14.717 22.963 18.488 1.00 0.00 ATOM 422 CB ASP 55 13.886 21.703 18.861 1.00 0.00 ATOM 423 CG ASP 55 14.299 20.465 18.040 1.00 0.00 ATOM 424 OD1 ASP 55 14.049 20.475 16.843 1.00 0.00 ATOM 425 OD2 ASP 55 14.925 19.527 18.565 1.00 0.00 ATOM 426 O ASP 55 13.586 23.794 16.554 1.00 0.00 ATOM 427 C ASP 55 14.578 23.221 17.001 1.00 0.00 ATOM 428 N LYS 56 15.508 22.680 16.262 1.00 0.00 ATOM 429 CA LYS 56 15.453 22.785 14.809 1.00 0.00 ATOM 430 CB LYS 56 16.283 23.745 13.948 1.00 0.00 ATOM 431 CG LYS 56 16.252 23.352 12.467 1.00 0.00 ATOM 432 CD LYS 56 16.690 24.475 11.532 1.00 0.00 ATOM 433 CE LYS 56 18.176 24.782 11.664 1.00 0.00 ATOM 434 NZ LYS 56 18.471 25.877 10.732 1.00 0.00 ATOM 435 O LYS 56 16.240 20.630 14.280 1.00 0.00 ATOM 436 C LYS 56 15.300 21.426 14.289 1.00 0.00 ATOM 437 N GLN 57 14.090 21.118 13.833 1.00 0.00 ATOM 438 CA GLN 57 13.803 19.797 13.284 1.00 0.00 ATOM 439 CB GLN 57 12.418 19.426 14.334 1.00 0.00 ATOM 440 CG GLN 57 11.267 19.713 13.381 1.00 0.00 ATOM 441 CD GLN 57 9.921 19.261 13.895 1.00 0.00 ATOM 442 OE1 GLN 57 9.825 18.469 14.834 1.00 0.00 ATOM 443 NE2 GLN 57 8.863 19.748 13.260 1.00 0.00 ATOM 444 O GLN 57 13.602 18.716 11.126 1.00 0.00 ATOM 445 C GLN 57 14.087 19.652 11.761 1.00 0.00 ATOM 446 N GLY 58 14.866 20.575 11.203 1.00 0.00 ATOM 447 CA GLY 58 15.195 20.527 9.784 1.00 0.00 ATOM 448 O GLY 58 13.788 20.023 7.898 1.00 0.00 ATOM 449 C GLY 58 13.922 20.643 8.949 1.00 0.00 ATOM 450 N VAL 59 13.026 21.468 9.465 1.00 0.00 ATOM 451 CA VAL 59 11.719 21.681 8.824 1.00 0.00 ATOM 452 CB VAL 59 10.755 22.411 9.773 1.00 0.00 ATOM 453 CG1 VAL 59 9.412 22.580 9.083 1.00 0.00 ATOM 454 CG2 VAL 59 10.498 21.616 11.059 1.00 0.00 ATOM 455 O VAL 59 11.798 21.828 6.431 1.00 0.00 ATOM 456 C VAL 59 11.921 22.418 7.505 1.00 0.00 ATOM 457 N THR 60 12.233 23.708 7.586 1.00 0.00 ATOM 458 CA THR 60 12.452 24.511 6.387 1.00 0.00 ATOM 459 CB THR 60 11.317 25.536 6.399 1.00 0.00 ATOM 460 CG2 THR 60 9.993 24.785 6.234 1.00 0.00 ATOM 461 OG1 THR 60 11.366 26.282 7.633 1.00 0.00 ATOM 462 O THR 60 13.974 26.230 5.657 1.00 0.00 ATOM 463 C THR 60 13.787 25.274 6.411 1.00 0.00 ATOM 464 N GLY 61 14.704 24.846 7.273 1.00 0.00 ATOM 465 CA GLY 61 16.006 25.497 7.376 1.00 0.00 ATOM 466 O GLY 61 16.952 27.236 8.731 1.00 0.00 ATOM 467 C GLY 61 15.942 26.786 8.187 1.00 0.00 ATOM 468 N LYS 62 14.756 27.379 8.267 1.00 0.00 ATOM 469 CA LYS 62 14.567 28.641 9.032 1.00 0.00 ATOM 470 CB LYS 62 14.365 29.794 8.054 1.00 0.00 ATOM 471 CG LYS 62 15.620 30.126 7.252 1.00 0.00 ATOM 472 CD LYS 62 15.348 31.323 6.344 1.00 0.00 ATOM 473 CE LYS 62 16.512 31.526 5.378 1.00 0.00 ATOM 474 NZ LYS 62 16.180 32.575 4.424 1.00 0.00 ATOM 475 O LYS 62 12.584 29.438 10.165 1.00 0.00 ATOM 476 C LYS 62 13.364 28.499 10.002 1.00 0.00 ATOM 477 N LYS 63 13.231 27.334 10.629 1.00 0.00 ATOM 478 CA LYS 63 12.135 27.099 11.563 1.00 0.00 ATOM 479 CB LYS 63 11.310 25.947 11.044 1.00 0.00 ATOM 480 CG LYS 63 10.201 25.556 12.004 1.00 0.00 ATOM 481 CD LYS 63 9.257 26.716 12.275 1.00 0.00 ATOM 482 CE LYS 63 8.198 26.298 13.276 1.00 0.00 ATOM 483 NZ LYS 63 7.352 27.460 13.659 1.00 0.00 ATOM 484 O LYS 63 13.451 25.544 12.832 1.00 0.00 ATOM 485 C LYS 63 12.687 26.517 12.854 1.00 0.00 ATOM 486 N VAL 64 12.177 27.079 13.924 1.00 0.00 ATOM 487 CA VAL 64 12.503 26.558 15.233 1.00 0.00 ATOM 488 CB VAL 64 13.740 27.331 15.875 1.00 0.00 ATOM 489 CG1 VAL 64 14.931 27.371 14.926 1.00 0.00 ATOM 490 CG2 VAL 64 13.324 28.742 16.265 1.00 0.00 ATOM 491 O VAL 64 10.457 27.370 16.199 1.00 0.00 ATOM 492 C VAL 64 11.197 26.420 16.035 1.00 0.00 ATOM 493 N SER 65 11.189 25.321 16.782 1.00 0.00 ATOM 494 CA SER 65 10.176 25.116 17.833 1.00 0.00 ATOM 495 CB SER 65 9.789 23.653 17.801 1.00 0.00 ATOM 496 OG SER 65 8.885 23.458 18.871 1.00 0.00 ATOM 497 O SER 65 11.821 25.090 19.580 1.00 0.00 ATOM 498 C SER 65 10.751 25.551 19.178 1.00 0.00 ATOM 499 N TYR 66 10.041 26.435 19.870 1.00 0.00 ATOM 500 CA TYR 66 10.497 26.932 21.192 1.00 0.00 ATOM 501 CB TYR 66 9.995 28.351 21.440 1.00 0.00 ATOM 502 CG TYR 66 10.648 29.433 20.606 1.00 0.00 ATOM 503 CD1 TYR 66 11.564 30.297 21.172 1.00 0.00 ATOM 504 CD2 TYR 66 10.342 29.600 19.260 1.00 0.00 ATOM 505 CE1 TYR 66 12.153 31.292 20.433 1.00 0.00 ATOM 506 CE2 TYR 66 10.937 30.602 18.496 1.00 0.00 ATOM 507 CZ TYR 66 11.851 31.440 19.093 1.00 0.00 ATOM 508 OH TYR 66 12.445 32.451 18.378 1.00 0.00 ATOM 509 O TYR 66 8.645 26.067 22.476 1.00 0.00 ATOM 510 C TYR 66 9.868 26.124 22.349 1.00 0.00 ATOM 511 N HIS 67 10.708 25.513 23.179 1.00 0.00 ATOM 512 CA HIS 67 10.219 24.727 24.307 1.00 0.00 ATOM 513 CB HIS 67 10.814 23.338 24.138 1.00 0.00 ATOM 514 CG HIS 67 10.213 22.497 23.030 1.00 0.00 ATOM 515 CD2 HIS 67 10.856 22.274 21.894 1.00 0.00 ATOM 516 ND1 HIS 67 9.037 21.875 22.996 1.00 0.00 ATOM 517 CE1 HIS 67 8.959 21.269 21.817 1.00 0.00 ATOM 518 NE2 HIS 67 10.083 21.512 21.139 1.00 0.00 ATOM 519 O HIS 67 11.904 25.582 25.784 1.00 0.00 ATOM 520 C HIS 67 10.719 25.284 25.635 1.00 0.00 ATOM 521 N SER 68 9.814 25.422 26.599 1.00 0.00 ATOM 522 CA SER 68 10.181 25.946 27.926 1.00 0.00 ATOM 523 CB SER 68 9.605 27.353 28.144 1.00 0.00 ATOM 524 OG SER 68 8.209 27.371 28.444 1.00 0.00 ATOM 525 O SER 68 8.627 24.728 29.251 1.00 0.00 ATOM 526 C SER 68 9.805 25.015 29.034 1.00 0.00 ATOM 527 N VAL 69 10.811 24.529 29.756 1.00 0.00 ATOM 528 CA VAL 69 10.570 23.614 30.866 1.00 0.00 ATOM 529 CB VAL 69 11.073 22.209 30.538 1.00 0.00 ATOM 530 CG1 VAL 69 10.273 21.602 29.394 1.00 0.00 ATOM 531 CG2 VAL 69 12.532 22.187 30.091 1.00 0.00 ATOM 532 O VAL 69 12.303 24.220 32.402 1.00 0.00 ATOM 533 C VAL 69 11.092 24.207 32.177 1.00 0.00 ATOM 534 N PRO 70 10.205 24.876 32.940 1.00 0.00 ATOM 535 CA PRO 70 10.521 25.408 34.275 1.00 0.00 ATOM 536 CB PRO 70 9.401 26.406 34.588 1.00 0.00 ATOM 537 CG PRO 70 8.231 25.832 33.800 1.00 0.00 ATOM 538 CD PRO 70 8.876 25.351 32.506 1.00 0.00 ATOM 539 O PRO 70 9.904 24.164 36.230 1.00 0.00 ATOM 540 C PRO 70 10.655 24.251 35.259 1.00 0.00 ATOM 541 N TYR 71 11.614 23.365 35.007 1.00 0.00 ATOM 542 CA TYR 71 11.839 22.212 35.889 1.00 0.00 ATOM 543 CB TYR 71 12.297 21.034 35.532 1.00 0.00 ATOM 544 CG TYR 71 11.182 20.021 35.701 1.00 0.00 ATOM 545 CD1 TYR 71 9.870 20.312 35.308 1.00 0.00 ATOM 546 CD2 TYR 71 11.468 18.727 36.123 1.00 0.00 ATOM 547 CE1 TYR 71 8.894 19.330 35.310 1.00 0.00 ATOM 548 CE2 TYR 71 10.493 17.737 36.129 1.00 0.00 ATOM 549 CZ TYR 71 9.219 18.041 35.713 1.00 0.00 ATOM 550 OH TYR 71 8.292 17.043 35.611 1.00 0.00 ATOM 551 O TYR 71 13.339 23.569 37.180 1.00 0.00 ATOM 552 C TYR 71 12.549 22.624 37.174 1.00 0.00 ATOM 553 N LYS 72 12.268 21.914 38.262 1.00 0.00 ATOM 554 CA LYS 72 12.891 22.217 39.542 1.00 0.00 ATOM 555 CB LYS 72 11.962 21.895 40.716 1.00 0.00 ATOM 556 CG LYS 72 10.746 22.811 40.763 1.00 0.00 ATOM 557 CD LYS 72 9.881 22.437 41.958 1.00 0.00 ATOM 558 CE LYS 72 8.628 23.297 42.081 1.00 0.00 ATOM 559 NZ LYS 72 7.756 22.911 43.207 1.00 0.00 ATOM 560 O LYS 72 15.056 21.735 40.456 1.00 0.00 ATOM 561 C LYS 72 14.144 21.365 39.715 1.00 0.00 ATOM 562 N ALA 73 14.188 20.226 39.031 1.00 0.00 ATOM 563 CA ALA 73 15.349 19.325 39.118 1.00 0.00 ATOM 564 CB ALA 73 15.044 18.262 40.173 1.00 0.00 ATOM 565 O ALA 73 14.627 18.617 36.934 1.00 0.00 ATOM 566 C ALA 73 15.523 18.596 37.779 1.00 0.00 ATOM 567 N ILE 74 16.673 17.955 37.594 1.00 0.00 ATOM 568 CA ILE 74 16.942 17.227 36.360 1.00 0.00 ATOM 569 CB ILE 74 18.047 17.920 35.538 1.00 0.00 ATOM 570 CG1 ILE 74 17.552 19.291 35.070 1.00 0.00 ATOM 571 CG2 ILE 74 18.415 17.053 34.340 1.00 0.00 ATOM 572 CD1 ILE 74 18.586 20.102 34.320 1.00 0.00 ATOM 573 O ILE 74 18.147 15.609 37.628 1.00 0.00 ATOM 574 C ILE 74 17.370 15.807 36.698 1.00 0.00 ATOM 575 N THR 75 16.893 15.142 35.937 1.00 0.00 ATOM 576 CA THR 75 17.250 13.746 36.216 1.00 0.00 ATOM 577 CB THR 75 15.930 12.860 36.446 1.00 0.00 ATOM 578 CG2 THR 75 14.916 13.554 37.259 1.00 0.00 ATOM 579 OG1 THR 75 15.361 12.565 35.160 1.00 0.00 ATOM 580 O THR 75 18.417 13.314 34.159 1.00 0.00 ATOM 581 C THR 75 18.277 13.000 35.343 1.00 0.00 ATOM 582 N HIS 76 18.973 12.006 35.907 1.00 0.00 ATOM 583 CA HIS 76 19.862 11.087 35.162 1.00 0.00 ATOM 584 CB HIS 76 19.044 10.159 34.250 1.00 0.00 ATOM 585 CG HIS 76 18.079 9.286 35.037 1.00 0.00 ATOM 586 CD2 HIS 76 16.748 9.349 35.030 1.00 0.00 ATOM 587 ND1 HIS 76 18.444 8.305 35.841 1.00 0.00 ATOM 588 CE1 HIS 76 17.345 7.742 36.339 1.00 0.00 ATOM 589 NE2 HIS 76 16.303 8.385 35.831 1.00 0.00 ATOM 590 O HIS 76 21.310 11.254 33.263 1.00 0.00 ATOM 591 C HIS 76 20.996 11.707 34.364 1.00 0.00 ATOM 592 N PHE 77 21.613 12.746 34.920 1.00 0.00 ATOM 593 CA PHE 77 22.718 13.417 34.245 1.00 0.00 ATOM 594 CB PHE 77 23.137 14.753 34.830 1.00 0.00 ATOM 595 CG PHE 77 22.967 15.701 33.659 1.00 0.00 ATOM 596 CD1 PHE 77 23.803 15.674 32.556 1.00 0.00 ATOM 597 CD2 PHE 77 21.882 16.558 33.719 1.00 0.00 ATOM 598 CE1 PHE 77 23.561 16.513 31.476 1.00 0.00 ATOM 599 CE2 PHE 77 21.682 17.441 32.677 1.00 0.00 ATOM 600 CZ PHE 77 22.506 17.418 31.555 1.00 0.00 ATOM 601 O PHE 77 24.555 12.088 35.027 1.00 0.00 ATOM 602 C PHE 77 23.984 12.590 34.058 1.00 0.00 ATOM 603 N GLU 78 24.423 12.449 32.811 1.00 0.00 ATOM 604 CA GLU 78 25.615 11.688 32.523 1.00 0.00 ATOM 605 CB GLU 78 25.214 10.323 31.965 1.00 0.00 ATOM 606 CG GLU 78 24.548 9.388 32.973 1.00 0.00 ATOM 607 CD GLU 78 24.310 7.994 32.373 1.00 0.00 ATOM 608 OE1 GLU 78 24.610 7.758 31.176 1.00 0.00 ATOM 609 OE2 GLU 78 23.736 7.158 33.113 1.00 0.00 ATOM 610 O GLU 78 26.055 13.144 30.668 1.00 0.00 ATOM 611 C GLU 78 26.522 12.371 31.505 1.00 0.00 ATOM 612 N VAL 79 27.818 12.084 31.578 1.00 0.00 ATOM 613 CA VAL 79 28.789 12.680 30.645 1.00 0.00 ATOM 614 CB VAL 79 29.614 13.795 31.334 1.00 0.00 ATOM 615 CG1 VAL 79 30.410 13.303 32.553 1.00 0.00 ATOM 616 CG2 VAL 79 30.576 14.488 30.352 1.00 0.00 ATOM 617 O VAL 79 30.187 10.741 30.860 1.00 0.00 ATOM 618 C VAL 79 29.771 11.637 30.123 1.00 0.00 ATOM 619 N GLU 80 30.142 11.753 28.852 1.00 0.00 ATOM 620 CA GLU 80 31.082 10.809 28.243 1.00 0.00 ATOM 621 CB GLU 80 30.325 9.833 27.374 1.00 0.00 ATOM 622 CG GLU 80 31.139 8.738 26.687 1.00 0.00 ATOM 623 CD GLU 80 30.201 7.753 25.988 1.00 0.00 ATOM 624 OE1 GLU 80 28.962 7.794 26.229 1.00 0.00 ATOM 625 OE2 GLU 80 30.759 6.856 25.348 1.00 0.00 ATOM 626 O GLU 80 31.713 12.422 26.583 1.00 0.00 ATOM 627 C GLU 80 32.091 11.614 27.431 1.00 0.00 ATOM 628 N THR 81 33.376 11.390 27.691 1.00 0.00 ATOM 629 CA THR 81 34.392 12.087 26.986 1.00 0.00 ATOM 630 CB THR 81 35.656 12.091 27.844 1.00 0.00 ATOM 631 CG2 THR 81 35.419 12.793 29.191 1.00 0.00 ATOM 632 OG1 THR 81 36.182 10.780 28.012 1.00 0.00 ATOM 633 O THR 81 34.093 10.393 25.291 1.00 0.00 ATOM 634 C THR 81 34.650 11.447 25.602 1.00 0.00 ATOM 635 N ALA 82 35.489 12.085 24.791 1.00 0.00 ATOM 636 CA ALA 82 35.802 11.564 23.466 1.00 0.00 ATOM 637 CB ALA 82 35.759 12.725 22.481 1.00 0.00 ATOM 638 O ALA 82 38.117 11.507 24.056 1.00 0.00 ATOM 639 C ALA 82 37.195 10.978 23.434 1.00 0.00 ATOM 640 N GLY 83 37.356 9.878 22.705 1.00 0.00 ATOM 641 CA GLY 83 38.656 9.226 22.598 1.00 0.00 ATOM 642 O GLY 83 39.062 11.108 21.158 1.00 0.00 ATOM 643 C GLY 83 39.480 10.033 21.591 1.00 0.00 ATOM 644 N THR 84 40.646 9.512 21.221 1.00 0.00 ATOM 645 CA THR 84 41.511 10.195 20.267 1.00 0.00 ATOM 646 CB THR 84 42.827 9.433 20.090 1.00 0.00 ATOM 647 CG2 THR 84 43.713 10.271 19.194 1.00 0.00 ATOM 648 OG1 THR 84 43.540 9.251 21.308 1.00 0.00 ATOM 649 O THR 84 40.865 11.436 18.310 1.00 0.00 ATOM 650 C THR 84 40.797 10.369 18.921 1.00 0.00 ATOM 651 N PHE 85 40.116 9.322 18.468 1.00 0.00 ATOM 652 CA PHE 85 39.398 9.378 17.200 1.00 0.00 ATOM 653 CB PHE 85 38.976 7.997 16.701 1.00 0.00 ATOM 654 CG PHE 85 40.167 7.184 16.250 1.00 0.00 ATOM 655 CD1 PHE 85 40.682 6.209 17.091 1.00 0.00 ATOM 656 CD2 PHE 85 40.701 7.349 14.979 1.00 0.00 ATOM 657 CE1 PHE 85 41.702 5.389 16.657 1.00 0.00 ATOM 658 CE2 PHE 85 41.730 6.516 14.563 1.00 0.00 ATOM 659 CZ PHE 85 42.247 5.534 15.392 1.00 0.00 ATOM 660 O PHE 85 37.704 10.681 16.114 1.00 0.00 ATOM 661 C PHE 85 38.147 10.262 17.182 1.00 0.00 ATOM 662 N ASP 86 37.652 10.591 18.367 1.00 0.00 ATOM 663 CA ASP 86 36.366 11.291 18.484 1.00 0.00 ATOM 664 CB ASP 86 35.586 10.846 19.701 1.00 0.00 ATOM 665 CG ASP 86 35.196 9.381 19.674 1.00 0.00 ATOM 666 OD1 ASP 86 35.065 8.824 18.576 1.00 0.00 ATOM 667 OD2 ASP 86 35.119 8.844 20.796 1.00 0.00 ATOM 668 O ASP 86 37.320 13.312 19.372 1.00 0.00 ATOM 669 C ASP 86 36.523 12.800 18.585 1.00 0.00 ATOM 670 N MET 87 35.557 13.463 17.965 1.00 0.00 ATOM 671 CA MET 87 35.507 14.932 17.933 1.00 0.00 ATOM 672 CB MET 87 35.130 15.410 16.529 1.00 0.00 ATOM 673 CG MET 87 36.233 15.375 15.465 1.00 0.00 ATOM 674 SD MET 87 35.537 15.925 13.864 1.00 0.00 ATOM 675 CE MET 87 35.230 17.659 14.139 1.00 0.00 ATOM 676 O MET 87 34.826 16.731 19.334 1.00 0.00 ATOM 677 C MET 87 34.577 15.581 18.978 1.00 0.00 ATOM 678 N ASP 88 33.774 14.749 19.636 1.00 0.00 ATOM 679 CA ASP 88 32.739 15.225 20.567 1.00 0.00 ATOM 680 CB ASP 88 31.352 15.159 19.908 1.00 0.00 ATOM 681 CG ASP 88 31.198 16.067 18.688 1.00 0.00 ATOM 682 OD1 ASP 88 31.999 17.012 18.538 1.00 0.00 ATOM 683 OD2 ASP 88 30.227 15.851 17.940 1.00 0.00 ATOM 684 O ASP 88 32.990 13.341 22.072 1.00 0.00 ATOM 685 C ASP 88 32.669 14.511 21.920 1.00 0.00 ATOM 686 N ALA 89 32.338 15.297 22.941 1.00 0.00 ATOM 687 CA ALA 89 31.905 14.800 24.256 1.00 0.00 ATOM 688 CB ALA 89 32.421 15.738 25.350 1.00 0.00 ATOM 689 O ALA 89 29.706 15.477 23.533 1.00 0.00 ATOM 690 C ALA 89 30.365 14.719 24.246 1.00 0.00 ATOM 691 N GLU 90 29.808 13.805 25.034 1.00 0.00 ATOM 692 CA GLU 90 28.360 13.647 25.103 1.00 0.00 ATOM 693 CB GLU 90 27.963 12.250 24.634 1.00 0.00 ATOM 694 CG GLU 90 28.439 12.005 23.206 1.00 0.00 ATOM 695 CD GLU 90 27.980 10.634 22.750 1.00 0.00 ATOM 696 OE1 GLU 90 26.804 10.527 22.320 1.00 0.00 ATOM 697 OE2 GLU 90 28.743 9.695 23.016 1.00 0.00 ATOM 698 O GLU 90 28.380 13.477 27.508 1.00 0.00 ATOM 699 C GLU 90 27.814 13.895 26.497 1.00 0.00 ATOM 700 N LEU 91 26.740 14.642 26.538 1.00 0.00 ATOM 701 CA LEU 91 26.014 14.902 27.804 1.00 0.00 ATOM 702 CB LEU 91 26.012 16.395 28.176 1.00 0.00 ATOM 703 CG LEU 91 27.168 16.772 29.109 1.00 0.00 ATOM 704 CD1 LEU 91 28.524 16.410 28.504 1.00 0.00 ATOM 705 CD2 LEU 91 27.117 18.272 29.428 1.00 0.00 ATOM 706 O LEU 91 24.115 14.268 26.509 1.00 0.00 ATOM 707 C LEU 91 24.648 14.297 27.618 1.00 0.00 ATOM 708 N LYS 92 24.068 13.808 28.709 1.00 0.00 ATOM 709 CA LYS 92 22.744 13.200 28.654 1.00 0.00 ATOM 710 CB LYS 92 22.708 11.697 28.373 1.00 0.00 ATOM 711 CG LYS 92 23.284 11.418 26.999 1.00 0.00 ATOM 712 CD LYS 92 23.084 9.972 26.572 1.00 0.00 ATOM 713 CE LYS 92 24.287 9.467 25.771 1.00 0.00 ATOM 714 NZ LYS 92 25.199 8.701 26.625 1.00 0.00 ATOM 715 O LYS 92 22.532 13.511 30.995 1.00 0.00 ATOM 716 C LYS 92 21.974 13.463 29.899 1.00 0.00 ATOM 717 N LEU 93 20.664 13.638 29.749 1.00 0.00 ATOM 718 CA LEU 93 19.801 13.901 30.894 1.00 0.00 ATOM 719 CB LEU 93 19.888 15.384 31.251 1.00 0.00 ATOM 720 CG LEU 93 19.330 16.363 30.219 1.00 0.00 ATOM 721 CD1 LEU 93 19.049 17.687 30.898 1.00 0.00 ATOM 722 CD2 LEU 93 20.354 16.690 29.147 1.00 0.00 ATOM 723 O LEU 93 18.114 13.186 29.342 1.00 0.00 ATOM 724 C LEU 93 18.372 13.570 30.481 1.00 0.00 ATOM 725 N TRP 94 17.535 13.561 31.497 1.00 0.00 ATOM 726 CA TRP 94 16.085 13.375 31.318 1.00 0.00 ATOM 727 CB TRP 94 15.675 11.990 31.840 1.00 0.00 ATOM 728 CG TRP 94 16.272 10.838 31.020 1.00 0.00 ATOM 729 CD1 TRP 94 17.492 10.324 31.154 1.00 0.00 ATOM 730 CD2 TRP 94 15.625 10.099 30.050 1.00 0.00 ATOM 731 CE2 TRP 94 16.529 9.121 29.628 1.00 0.00 ATOM 732 CE3 TRP 94 14.345 10.129 29.514 1.00 0.00 ATOM 733 NE1 TRP 94 17.649 9.290 30.324 1.00 0.00 ATOM 734 CZ2 TRP 94 16.159 8.173 28.681 1.00 0.00 ATOM 735 CZ3 TRP 94 13.996 9.192 28.559 1.00 0.00 ATOM 736 CH2 TRP 94 14.878 8.204 28.145 1.00 0.00 ATOM 737 O TRP 94 15.588 14.758 33.214 1.00 0.00 ATOM 738 C TRP 94 15.403 14.548 32.015 1.00 0.00 ATOM 739 N ILE 95 14.615 15.309 31.262 1.00 0.00 ATOM 740 CA ILE 95 13.915 16.451 31.824 1.00 0.00 ATOM 741 CB ILE 95 14.264 17.754 31.065 1.00 0.00 ATOM 742 CG1 ILE 95 15.783 17.937 30.985 1.00 0.00 ATOM 743 CG2 ILE 95 13.592 18.950 31.735 1.00 0.00 ATOM 744 CD1 ILE 95 16.431 18.214 32.299 1.00 0.00 ATOM 745 O ILE 95 11.896 16.106 30.581 1.00 0.00 ATOM 746 C ILE 95 12.422 16.197 31.691 1.00 0.00 ATOM 747 N SER 96 11.736 16.083 32.824 1.00 0.00 ATOM 748 CA SER 96 10.298 15.841 32.816 1.00 0.00 ATOM 749 CB SER 96 9.602 17.197 32.566 1.00 0.00 ATOM 750 OG SER 96 9.578 17.564 31.177 1.00 0.00 ATOM 751 O SER 96 8.824 14.651 31.345 1.00 0.00 ATOM 752 C SER 96 9.883 14.640 31.975 1.00 0.00 ATOM 753 N GLY 97 10.717 13.604 31.966 1.00 0.00 ATOM 754 CA GLY 97 10.419 12.374 31.185 1.00 0.00 ATOM 755 O GLY 97 10.888 11.283 29.090 1.00 0.00 ATOM 756 C GLY 97 10.996 12.309 29.762 1.00 0.00 ATOM 757 N GLN 98 11.604 13.403 29.315 1.00 0.00 ATOM 758 CA GLN 98 12.190 13.450 27.980 1.00 0.00 ATOM 759 CB GLN 98 11.721 14.776 27.367 1.00 0.00 ATOM 760 CG GLN 98 10.204 14.863 27.275 1.00 0.00 ATOM 761 CD GLN 98 9.630 13.909 26.229 1.00 0.00 ATOM 762 OE1 GLN 98 10.100 13.697 25.132 1.00 0.00 ATOM 763 NE2 GLN 98 8.466 13.398 26.508 1.00 0.00 ATOM 764 O GLN 98 14.411 13.845 28.797 1.00 0.00 ATOM 765 C GLN 98 13.710 13.268 27.981 1.00 0.00 ATOM 766 N LYS 99 14.226 12.432 27.041 1.00 0.00 ATOM 767 CA LYS 99 15.652 12.178 26.948 1.00 0.00 ATOM 768 CB LYS 99 15.857 10.814 26.267 1.00 0.00 ATOM 769 CG LYS 99 17.321 10.382 26.162 1.00 0.00 ATOM 770 CD LYS 99 17.417 9.032 25.450 1.00 0.00 ATOM 771 CE LYS 99 18.872 8.618 25.238 1.00 0.00 ATOM 772 NZ LYS 99 18.978 7.282 24.640 1.00 0.00 ATOM 773 O LYS 99 16.167 13.277 24.895 1.00 0.00 ATOM 774 C LYS 99 16.357 13.247 26.100 1.00 0.00 ATOM 775 N ASP 100 17.431 13.786 26.680 1.00 0.00 ATOM 776 CA ASP 100 18.261 14.769 25.970 1.00 0.00 ATOM 777 CB ASP 100 18.186 16.176 26.560 1.00 0.00 ATOM 778 CG ASP 100 16.787 16.755 26.556 1.00 0.00 ATOM 779 OD1 ASP 100 16.159 16.697 25.485 1.00 0.00 ATOM 780 OD2 ASP 100 16.400 17.209 27.652 1.00 0.00 ATOM 781 O ASP 100 20.404 14.264 26.943 1.00 0.00 ATOM 782 C ASP 100 19.735 14.387 25.912 1.00 0.00 ATOM 783 N PRO 101 20.163 13.997 24.710 1.00 0.00 ATOM 784 CA PRO 101 21.581 13.729 24.496 1.00 0.00 ATOM 785 CB PRO 101 21.556 12.324 23.898 1.00 0.00 ATOM 786 CG PRO 101 20.244 12.230 23.116 1.00 0.00 ATOM 787 CD PRO 101 19.355 13.342 23.676 1.00 0.00 ATOM 788 O PRO 101 21.394 15.333 22.779 1.00 0.00 ATOM 789 C PRO 101 22.090 14.820 23.656 1.00 0.00 ATOM 790 N LEU 102 23.337 15.206 23.905 1.00 0.00 ATOM 791 CA LEU 102 23.962 16.279 23.141 1.00 0.00 ATOM 792 CB LEU 102 23.492 17.725 23.067 1.00 0.00 ATOM 793 CG LEU 102 22.554 17.884 21.860 1.00 0.00 ATOM 794 CD1 LEU 102 22.136 19.330 21.666 1.00 0.00 ATOM 795 CD2 LEU 102 23.213 17.406 20.566 1.00 0.00 ATOM 796 O LEU 102 26.104 15.743 24.046 1.00 0.00 ATOM 797 C LEU 102 25.466 16.142 23.085 1.00 0.00 ATOM 798 N VAL 103 25.945 16.402 21.887 1.00 0.00 ATOM 799 CA VAL 103 27.353 16.168 21.591 1.00 0.00 ATOM 800 CB VAL 103 27.474 15.152 20.443 1.00 0.00 ATOM 801 CG1 VAL 103 26.798 13.834 20.770 1.00 0.00 ATOM 802 CG2 VAL 103 26.804 15.722 19.218 1.00 0.00 ATOM 803 O VAL 103 27.387 18.456 20.869 1.00 0.00 ATOM 804 C VAL 103 27.975 17.555 21.469 1.00 0.00 ATOM 805 N LYS 104 29.165 17.724 22.037 1.00 0.00 ATOM 806 CA LYS 104 29.836 18.990 21.980 1.00 0.00 ATOM 807 CB LYS 104 29.726 19.700 23.330 1.00 0.00 ATOM 808 CG LYS 104 28.291 20.020 23.719 1.00 0.00 ATOM 809 CD LYS 104 28.212 20.886 24.962 1.00 0.00 ATOM 810 CE LYS 104 28.703 22.288 24.683 1.00 0.00 ATOM 811 NZ LYS 104 28.641 23.147 25.895 1.00 0.00 ATOM 812 O LYS 104 31.914 17.794 21.896 1.00 0.00 ATOM 813 C LYS 104 31.325 18.855 21.682 1.00 0.00 ATOM 814 N GLU 105 31.933 19.930 21.190 1.00 0.00 ATOM 815 CA GLU 105 33.336 19.910 20.877 1.00 0.00 ATOM 816 CB GLU 105 33.722 21.314 20.391 1.00 0.00 ATOM 817 CG GLU 105 35.221 21.523 20.127 1.00 0.00 ATOM 818 CD GLU 105 35.582 22.951 19.714 1.00 0.00 ATOM 819 OE1 GLU 105 36.717 23.083 19.186 1.00 0.00 ATOM 820 OE2 GLU 105 34.860 23.891 20.115 1.00 0.00 ATOM 821 O GLU 105 34.109 19.961 23.160 1.00 0.00 ATOM 822 C GLU 105 34.159 19.389 22.070 1.00 0.00 ATOM 823 N LEU 106 34.908 18.311 21.857 1.00 0.00 ATOM 824 CA LEU 106 35.729 17.738 22.918 1.00 0.00 ATOM 825 CB LEU 106 36.556 16.545 22.404 1.00 0.00 ATOM 826 CG LEU 106 37.858 16.953 21.705 1.00 0.00 ATOM 827 CD1 LEU 106 39.023 16.972 22.699 1.00 0.00 ATOM 828 CD2 LEU 106 38.156 16.074 20.505 1.00 0.00 ATOM 829 O LEU 106 37.118 18.732 24.629 1.00 0.00 ATOM 830 C LEU 106 36.736 18.785 23.459 1.00 0.00 ATOM 831 N LYS 107 37.149 19.719 22.608 1.00 0.00 ATOM 832 CA LYS 107 38.094 20.751 23.019 1.00 0.00 ATOM 833 CB LYS 107 38.759 21.291 21.637 1.00 0.00 ATOM 834 CG LYS 107 39.783 20.380 20.989 1.00 0.00 ATOM 835 CD LYS 107 40.142 20.884 19.594 1.00 0.00 ATOM 836 CE LYS 107 41.630 20.752 19.324 1.00 0.00 ATOM 837 NZ LYS 107 42.036 21.345 18.008 1.00 0.00 ATOM 838 O LYS 107 38.388 22.457 24.669 1.00 0.00 ATOM 839 C LYS 107 37.599 21.727 24.067 1.00 0.00 ATOM 840 N LYS 108 36.289 21.743 24.287 1.00 0.00 ATOM 841 CA LYS 108 35.701 22.643 25.273 1.00 0.00 ATOM 842 CB LYS 108 34.917 23.734 24.510 1.00 0.00 ATOM 843 CG LYS 108 35.862 24.646 23.727 1.00 0.00 ATOM 844 CD LYS 108 36.664 25.548 24.642 1.00 0.00 ATOM 845 CE LYS 108 37.830 26.217 23.947 1.00 0.00 ATOM 846 NZ LYS 108 37.359 27.134 22.909 1.00 0.00 ATOM 847 O LYS 108 34.441 22.466 27.307 1.00 0.00 ATOM 848 C LYS 108 35.218 21.918 26.524 1.00 0.00 ATOM 849 N GLY 109 35.681 20.686 26.712 1.00 0.00 ATOM 850 CA GLY 109 35.281 19.854 27.920 1.00 0.00 ATOM 851 O GLY 109 34.422 20.300 30.140 1.00 0.00 ATOM 852 C GLY 109 35.283 20.570 29.301 1.00 0.00 ATOM 853 N THR 110 36.242 21.466 29.515 1.00 0.00 ATOM 854 CA THR 110 36.330 22.193 30.776 1.00 0.00 ATOM 855 CB THR 110 37.608 23.163 30.636 1.00 0.00 ATOM 856 CG2 THR 110 37.770 24.030 31.877 1.00 0.00 ATOM 857 OG1 THR 110 38.800 22.396 30.433 1.00 0.00 ATOM 858 O THR 110 34.529 22.895 32.208 1.00 0.00 ATOM 859 C THR 110 35.027 22.941 31.082 1.00 0.00 ATOM 860 N ASP 111 34.482 23.624 30.080 1.00 0.00 ATOM 861 CA ASP 111 33.242 24.369 30.261 1.00 0.00 ATOM 862 CB ASP 111 33.128 25.499 29.231 1.00 0.00 ATOM 863 CG ASP 111 34.075 26.703 29.427 1.00 0.00 ATOM 864 OD1 ASP 111 34.720 26.759 30.492 1.00 0.00 ATOM 865 OD2 ASP 111 34.261 27.466 28.452 1.00 0.00 ATOM 866 O ASP 111 30.971 23.739 30.844 1.00 0.00 ATOM 867 C ASP 111 31.979 23.496 30.186 1.00 0.00 ATOM 868 N VAL 112 32.114 22.338 29.538 1.00 0.00 ATOM 869 CA VAL 112 31.104 21.261 29.441 1.00 0.00 ATOM 870 CB VAL 112 31.564 20.145 28.484 1.00 0.00 ATOM 871 CG1 VAL 112 30.689 18.903 28.624 1.00 0.00 ATOM 872 CG2 VAL 112 31.584 20.711 27.068 1.00 0.00 ATOM 873 O VAL 112 29.638 20.407 31.177 1.00 0.00 ATOM 874 C VAL 112 30.793 20.685 30.829 1.00 0.00 ATOM 875 N VAL 113 31.881 20.390 31.529 1.00 0.00 ATOM 876 CA VAL 113 31.813 19.722 32.838 1.00 0.00 ATOM 877 CB VAL 113 33.208 19.230 33.247 1.00 0.00 ATOM 878 CG1 VAL 113 33.184 18.529 34.618 1.00 0.00 ATOM 879 CG2 VAL 113 33.722 18.202 32.230 1.00 0.00 ATOM 880 O VAL 113 30.238 20.172 34.582 1.00 0.00 ATOM 881 C VAL 113 31.112 20.635 33.836 1.00 0.00 ATOM 882 N GLY 114 31.377 21.937 33.693 1.00 0.00 ATOM 883 CA GLY 114 30.712 22.977 34.487 1.00 0.00 ATOM 884 O GLY 114 28.473 23.044 35.358 1.00 0.00 ATOM 885 C GLY 114 29.201 22.894 34.371 1.00 0.00 ATOM 886 N ILE 115 28.674 22.616 33.131 1.00 0.00 ATOM 887 CA ILE 115 27.236 22.483 32.876 1.00 0.00 ATOM 888 CB ILE 115 26.991 22.237 31.366 1.00 0.00 ATOM 889 CG1 ILE 115 27.328 23.481 30.535 1.00 0.00 ATOM 890 CG2 ILE 115 25.562 21.861 31.131 1.00 0.00 ATOM 891 CD1 ILE 115 27.313 23.260 29.026 1.00 0.00 ATOM 892 O ILE 115 25.629 21.512 34.301 1.00 0.00 ATOM 893 C ILE 115 26.651 21.367 33.628 1.00 0.00 ATOM 894 N GLN 116 27.290 20.207 33.531 1.00 0.00 ATOM 895 CA GLN 116 26.812 19.018 34.228 1.00 0.00 ATOM 896 CB GLN 116 27.689 17.826 33.849 1.00 0.00 ATOM 897 CG GLN 116 27.238 16.568 34.597 1.00 0.00 ATOM 898 CD GLN 116 28.049 15.352 34.264 1.00 0.00 ATOM 899 OE1 GLN 116 27.601 14.511 33.494 1.00 0.00 ATOM 900 NE2 GLN 116 29.232 15.237 34.849 1.00 0.00 ATOM 901 O GLN 116 25.803 18.808 36.394 1.00 0.00 ATOM 902 C GLN 116 26.783 19.174 35.745 1.00 0.00 ATOM 903 N LYS 117 27.858 19.718 36.307 1.00 0.00 ATOM 904 CA LYS 117 27.939 19.918 37.753 1.00 0.00 ATOM 905 CB LYS 117 29.300 20.439 38.183 1.00 0.00 ATOM 906 CG LYS 117 30.419 19.401 38.095 1.00 0.00 ATOM 907 CD LYS 117 30.162 18.218 39.017 1.00 0.00 ATOM 908 CE LYS 117 31.290 17.199 38.928 1.00 0.00 ATOM 909 NZ LYS 117 31.097 16.086 39.895 1.00 0.00 ATOM 910 O LYS 117 26.209 20.620 39.251 1.00 0.00 ATOM 911 C LYS 117 26.867 20.874 38.240 1.00 0.00 ATOM 912 N THR 118 26.687 21.977 37.521 1.00 0.00 ATOM 913 CA THR 118 25.681 22.966 37.894 1.00 0.00 ATOM 914 CB THR 118 25.760 24.284 37.192 1.00 0.00 ATOM 915 CG2 THR 118 27.096 24.968 37.476 1.00 0.00 ATOM 916 OG1 THR 118 25.637 24.064 35.787 1.00 0.00 ATOM 917 O THR 118 23.434 22.572 38.636 1.00 0.00 ATOM 918 C THR 118 24.280 22.378 37.763 1.00 0.00 ATOM 919 N ILE 119 24.038 21.660 36.671 1.00 0.00 ATOM 920 CA ILE 119 22.759 21.066 36.456 1.00 0.00 ATOM 921 CB ILE 119 22.673 20.421 35.041 1.00 0.00 ATOM 922 CG1 ILE 119 22.729 21.515 33.977 1.00 0.00 ATOM 923 CG2 ILE 119 21.377 19.612 34.896 1.00 0.00 ATOM 924 CD1 ILE 119 22.825 20.995 32.545 1.00 0.00 ATOM 925 O ILE 119 21.320 19.980 38.057 1.00 0.00 ATOM 926 C ILE 119 22.450 20.048 37.572 1.00 0.00 ATOM 927 N ALA 120 23.452 19.270 37.966 1.00 0.00 ATOM 928 CA ALA 120 23.269 18.276 39.017 1.00 0.00 ATOM 929 CB ALA 120 24.595 17.561 39.198 1.00 0.00 ATOM 930 O ALA 120 21.923 18.592 40.978 1.00 0.00 ATOM 931 C ALA 120 22.840 19.021 40.276 1.00 0.00 ATOM 932 N ASN 121 23.502 20.138 40.559 1.00 0.00 ATOM 933 CA ASN 121 23.174 20.940 41.744 1.00 0.00 ATOM 934 CB ASN 121 24.081 22.155 41.897 1.00 0.00 ATOM 935 CG ASN 121 25.506 21.787 42.144 1.00 0.00 ATOM 936 ND2 ASN 121 26.412 22.714 41.887 1.00 0.00 ATOM 937 OD1 ASN 121 25.796 20.683 42.586 1.00 0.00 ATOM 938 O ASN 121 21.019 21.498 42.657 1.00 0.00 ATOM 939 C ASN 121 21.732 21.442 41.659 1.00 0.00 ATOM 940 N PHE 122 21.328 21.843 40.466 1.00 0.00 ATOM 941 CA PHE 122 19.981 22.346 40.263 1.00 0.00 ATOM 942 CB PHE 122 19.855 22.956 38.854 1.00 0.00 ATOM 943 CG PHE 122 18.599 23.759 38.636 1.00 0.00 ATOM 944 CD1 PHE 122 18.269 24.812 39.487 1.00 0.00 ATOM 945 CD2 PHE 122 17.758 23.478 37.563 1.00 0.00 ATOM 946 CE1 PHE 122 17.120 25.571 39.271 1.00 0.00 ATOM 947 CE2 PHE 122 16.607 24.231 37.337 1.00 0.00 ATOM 948 CZ PHE 122 16.289 25.282 38.194 1.00 0.00 ATOM 949 O PHE 122 17.936 21.449 41.139 1.00 0.00 ATOM 950 C PHE 122 18.955 21.240 40.481 1.00 0.00 ATOM 951 N SER 123 19.226 20.062 39.928 1.00 0.00 ATOM 952 CA SER 123 18.303 18.902 40.074 1.00 0.00 ATOM 953 CB SER 123 19.148 17.539 39.651 1.00 0.00 ATOM 954 OG SER 123 20.209 17.754 38.748 1.00 0.00 ATOM 955 O SER 123 17.124 18.233 42.056 1.00 0.00 ATOM 956 C SER 123 18.208 18.536 41.555 1.00 0.00 ATOM 957 N LEU 124 19.340 18.568 42.250 1.00 0.00 ATOM 958 CA LEU 124 19.364 18.240 43.671 1.00 0.00 ATOM 959 CB LEU 124 20.770 17.651 43.972 1.00 0.00 ATOM 960 CG LEU 124 21.130 16.357 43.250 1.00 0.00 ATOM 961 CD1 LEU 124 22.565 15.940 43.571 1.00 0.00 ATOM 962 CD2 LEU 124 20.126 15.270 43.616 1.00 0.00 ATOM 963 O LEU 124 19.083 19.139 45.859 1.00 0.00 ATOM 964 C LEU 124 19.047 19.374 44.650 1.00 0.00 TER END