PFRMAT TS TARGET T0387 AUTHOR 4008-1775-0004 METHOD The SAM-T08 hand predictions use methods similar to SAM_T06 in CASP7. METHOD METHOD We start with a fully automated method (implemented as the SAM-T08-server): METHOD METHOD Use the SAM-T2K, SAM-T04, and SAM-T06 methods for finding homologs METHOD of the target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. These neural nets have been newly trained METHOD for CASP8 with an improved training protocol. The neural nets for METHOD the 3 different multiple sequence alignments are independently METHOD trained, so combining them should offer improved performance. METHOD METHOD We currently use 15 local-structure alphabets: METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD STR4 an attempt at an alphabet like STR2, but not requiring DSSP. METHOD This alphabet may be trying to make some irrelevant METHOD distinctions as well. METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD PB de Brevern's protein blocks METHOD METHOD N_NOTOR METHOD N_NOTOR2 METHOD O_NOTOR METHOD O_NOTOR2 alphabets based on the torsion angle of METHOD backbone hydrogen bonds METHOD METHOD N_SEP METHOD O_SEP alphabets based on the separation of donor and METHOD acceptor for backbone hydrogen bonds METHOD METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet with the amino-acid track METHOD having a weight of 1 and the local structure track having a weight METHOD of 0.1 (for backbone alphabets) or 0.3 (for burial alphabets). METHOD We use these HMMs to score a template library of about METHOD 14000 (t06), 16000 (t04), or 18000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. The target HMMs are used to score consensus METHOD sequences for the templates, to get a cheap approximation of METHOD profile-profile scoring, which does not yet work in the SAM package. METHOD METHOD We also used single-track HMMs to score not just the template METHOD library, but a non-redundant copy of the entire PDB. This scoring METHOD is done with real sequences, not consensus sequences. METHOD METHOD All the target HMMs use a new calibration method the provides more METHOD accurate E-values than before, and can be used even with METHOD local-structure alphabets that used to give us trouble (such as METHOD protein blocks). METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. Later this summer, we METHOD hope to be able to use multi-track template HMMs, but we have not METHOD had time to calibrate such models while keeping the code METHOD compatible with the old libraries, so the template libraries METHOD currently use old calibrations, with somewhat optimistic E-values. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment settings on the SAM alignment software. METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. Two different neural net METHOD methods were used, and the results submitted separately. METHOD METHOD CB-CB constraints were extracted from the alignments and a METHOD combinatorial optimization done to choose a most-believable METHOD subset. METHOD METHOD Then the "undertaker" program (named because it originally METHOD optimized burial) is used to try to combine the alignments and the METHOD fragments into a consistent 3D model. No single alignment or METHOD parent template was used as a frozen core, though in many cases METHOD one had much more influence than the others. The alignment scores METHOD were not used by undertaker, but were used only to pick the set METHOD of alignments and fragments that undertaker would see. METHOD METHOD The cost functions used by undertaker rely heavily on the METHOD alignment constraints, on helix and strand constraints generated METHOD from the secondary-structure predictions, and on the neural-net METHOD predictions of local properties that undertaker can measure. METHOD The residue-residue contact predictions are also given to METHOD undertaker, but have less weight. There are also a number of METHOD built-in cost functions (breaks, clashes, burial, ...) that are METHOD included in the cost function. METHOD METHOD The automatic script runs the undertaker-optimized model through METHOD gromacs (to fix small clashes and breaks) and repacks the METHOD sidechains using Rosetta, but these post-undertaker optimizations METHOD are not included in the server predictions. They can be used in METHOD subsequent re-optimization. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD We often do "polishing" runs, where all the current models are read in METHOD and optimization with undertaker's genetic algorithm is done with high METHOD crossover. METHOD METHOD Some improvements in undertaker include better communication with METHOD SCWRL for initial model building form alignments (now using the METHOD standard protocol that identical residues have fixed rotamers, rather METHOD than being reoptimized by SCWRL), more cost functions based on the METHOD neural net predictions, multiple constraint sets (for easier METHOD weighting of the importance of different constraints), and some new METHOD conformation-change operators (Backrub and BigBackrub). METHOD METHOD We also created model-quality-assessment methods for CASP8, which we METHOD are applying to the server predictions. We do two optimizations from the METHOD top 10 models with two of the MQA methods, and consider these models METHOD as possible alternatives to our natively-generated models. METHOD METHOD METHOD For T0387, all the core models were essentially indistinguisable, so METHOD the interesting task is to figure out how the C-terminal tail lies in METHOD the multimer. METHOD METHOD We were not certain whether this was a pair of dimers or a cyclic METHOD tetramer, but the dimers we constructed from existing templates had METHOD bad buried charges, so we believe it is a cyclic tetramer. We were METHOD unable to build a convincing tetramer, due to lack of appropriate METHOD tools and lack of time. Thus we are simply submitting monomers, METHOD knowing that the C-terminal tail is wrong. METHOD METHOD Model METHOD 1 T0387.MQAU1-opt3.pdb a metaserver model METHOD 2 T0387.try3-opt3.pdb a native SAM/undertaker model METHOD 3 T0387.MQAC1-opt3.pdb a metaserver model (from consensus scoring) METHOD 4 alignment T0387-1g9oA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m METHOD 5 alignment T0387-2ozfA-t06-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m METHOD REMARK 6 REMARK 6 T0387 model 2 Sat May 24 18:34:58 2008 MODEL 2 PARENT 2eej_A 2ocs_A 1i92_A 1gq4_A 1g9o_A REMARK 7 REMARK 7 ALLPARENTS 2eej_A 2ocs_A 1i92_A 1gq4_A 1g9o_A 1gq5_A ATOM 1 N SER 1 -5.457 5.729 6.628 1.00 0.00 ATOM 2 CA SER 1 -4.392 5.597 5.594 1.00 0.00 ATOM 3 CB SER 1 -3.601 6.845 5.576 1.00 0.00 ATOM 4 OG SER 1 -2.827 6.942 6.724 1.00 0.00 ATOM 5 O SER 1 -3.617 3.739 6.900 1.00 0.00 ATOM 6 C SER 1 -3.471 4.421 5.886 1.00 0.00 ATOM 7 N MET 2 -2.507 4.206 4.960 1.00 0.00 ATOM 8 CA MET 2 -1.549 3.116 5.095 1.00 0.00 ATOM 9 CB MET 2 -0.674 2.986 3.900 1.00 0.00 ATOM 10 CG MET 2 -1.456 2.597 2.645 1.00 0.00 ATOM 11 SD MET 2 -2.593 1.185 2.912 1.00 0.00 ATOM 12 CE MET 2 -1.472 -0.103 3.355 1.00 0.00 ATOM 13 O MET 2 -0.528 2.397 7.167 1.00 0.00 ATOM 14 C MET 2 -0.682 3.307 6.359 1.00 0.00 ATOM 15 N LYS 3 -0.277 4.548 6.643 1.00 0.00 ATOM 16 CA LYS 3 0.509 4.821 7.838 1.00 0.00 ATOM 17 CB LYS 3 1.364 6.073 7.640 1.00 0.00 ATOM 18 CG LYS 3 2.459 5.919 6.596 1.00 0.00 ATOM 19 CD LYS 3 3.290 7.187 6.475 1.00 0.00 ATOM 20 CE LYS 3 4.386 7.031 5.435 1.00 0.00 ATOM 21 NZ LYS 3 5.214 8.262 5.313 1.00 0.00 ATOM 22 O LYS 3 -1.539 5.400 8.881 1.00 0.00 ATOM 23 C LYS 3 -0.407 4.997 9.023 1.00 0.00 ATOM 24 N PRO 4 0.086 4.698 10.205 1.00 0.00 ATOM 25 CA PRO 4 -0.803 4.352 11.297 1.00 0.00 ATOM 26 CB PRO 4 0.184 4.117 12.426 1.00 0.00 ATOM 27 CG PRO 4 1.285 3.439 11.740 1.00 0.00 ATOM 28 CD PRO 4 1.504 4.348 10.581 1.00 0.00 ATOM 29 O PRO 4 -1.047 6.726 11.489 1.00 0.00 ATOM 30 C PRO 4 -1.557 5.610 11.622 1.00 0.00 ATOM 31 N LYS 5 -2.832 5.413 11.894 1.00 0.00 ATOM 32 CA LYS 5 -3.732 6.483 12.291 1.00 0.00 ATOM 33 CB LYS 5 -4.677 6.857 11.158 1.00 0.00 ATOM 34 CG LYS 5 -3.890 7.394 9.919 1.00 0.00 ATOM 35 CD LYS 5 -3.493 8.869 10.116 1.00 0.00 ATOM 36 CE LYS 5 -2.528 9.352 9.034 1.00 0.00 ATOM 37 NZ LYS 5 -1.566 10.348 9.573 1.00 0.00 ATOM 38 O LYS 5 -4.753 4.915 13.764 1.00 0.00 ATOM 39 C LYS 5 -4.470 6.091 13.560 1.00 0.00 ATOM 40 N LEU 6 -4.713 7.054 14.442 1.00 0.00 ATOM 41 CA LEU 6 -5.432 6.774 15.685 1.00 0.00 ATOM 42 CB LEU 6 -4.811 7.525 16.865 1.00 0.00 ATOM 43 CG LEU 6 -3.362 7.172 17.207 1.00 0.00 ATOM 44 CD1 LEU 6 -2.850 8.042 18.343 1.00 0.00 ATOM 45 CD2 LEU 6 -3.250 5.716 17.634 1.00 0.00 ATOM 46 O LEU 6 -7.164 8.361 15.214 1.00 0.00 ATOM 47 C LEU 6 -6.883 7.216 15.567 1.00 0.00 ATOM 48 N CYS 7 -7.801 6.297 15.860 1.00 0.00 ATOM 49 CA CYS 7 -9.237 6.569 15.830 1.00 0.00 ATOM 50 CB CYS 7 -9.947 5.572 14.912 1.00 0.00 ATOM 51 SG CYS 7 -9.405 5.627 13.187 1.00 0.00 ATOM 52 O CYS 7 -9.645 5.368 17.865 1.00 0.00 ATOM 53 C CYS 7 -9.744 6.438 17.262 1.00 0.00 ATOM 54 N ARG 8 -10.360 7.499 17.774 1.00 0.00 ATOM 55 CA ARG 8 -10.887 7.482 19.133 1.00 0.00 ATOM 56 CB ARG 8 -10.327 8.224 20.098 1.00 0.00 ATOM 57 CG ARG 8 -11.158 8.225 21.369 1.00 0.00 ATOM 58 CD ARG 8 -12.304 9.276 21.416 1.00 0.00 ATOM 59 NE ARG 8 -11.794 10.584 21.098 1.00 0.00 ATOM 60 CZ ARG 8 -12.538 11.679 21.008 1.00 0.00 ATOM 61 NH1 ARG 8 -13.839 11.635 21.174 1.00 0.00 ATOM 62 NH2 ARG 8 -11.962 12.817 20.733 1.00 0.00 ATOM 63 O ARG 8 -13.072 8.217 18.480 1.00 0.00 ATOM 64 C ARG 8 -12.396 7.332 19.005 1.00 0.00 ATOM 65 N LEU 9 -12.932 6.248 19.556 1.00 0.00 ATOM 66 CA LEU 9 -14.368 6.002 19.496 1.00 0.00 ATOM 67 CB LEU 9 -14.693 4.588 19.012 1.00 0.00 ATOM 68 CG LEU 9 -14.699 4.375 17.497 1.00 0.00 ATOM 69 CD1 LEU 9 -13.350 4.738 16.896 1.00 0.00 ATOM 70 CD2 LEU 9 -14.995 2.921 17.160 1.00 0.00 ATOM 71 O LEU 9 -14.658 5.464 21.810 1.00 0.00 ATOM 72 C LEU 9 -15.071 6.104 20.843 1.00 0.00 ATOM 73 N ALA 10 -16.189 6.823 20.874 1.00 0.00 ATOM 74 CA ALA 10 -17.007 6.955 22.082 1.00 0.00 ATOM 75 CB ALA 10 -17.535 8.378 22.184 1.00 0.00 ATOM 76 O ALA 10 -18.935 6.045 21.005 1.00 0.00 ATOM 77 C ALA 10 -18.146 5.950 21.943 1.00 0.00 ATOM 78 N LYS 11 -18.254 4.996 22.867 1.00 0.00 ATOM 79 CA LYS 11 -19.302 3.983 22.735 1.00 0.00 ATOM 80 CB LYS 11 -19.253 3.003 23.910 1.00 0.00 ATOM 81 CG LYS 11 -20.258 1.867 23.814 1.00 0.00 ATOM 82 CD LYS 11 -20.110 0.900 24.976 1.00 0.00 ATOM 83 CE LYS 11 -21.098 -0.251 24.866 1.00 0.00 ATOM 84 NZ LYS 11 -20.982 -1.193 26.013 1.00 0.00 ATOM 85 O LYS 11 -20.995 5.527 23.463 1.00 0.00 ATOM 86 C LYS 11 -20.695 4.596 22.706 1.00 0.00 ATOM 87 N GLY 12 -21.517 4.094 21.787 1.00 0.00 ATOM 88 CA GLY 12 -22.863 4.606 21.599 1.00 0.00 ATOM 89 O GLY 12 -23.659 2.783 22.936 1.00 0.00 ATOM 90 C GLY 12 -23.946 3.729 22.202 1.00 0.00 ATOM 91 N GLU 13 -25.166 4.078 21.840 1.00 0.00 ATOM 92 CA GLU 13 -26.350 3.367 22.337 1.00 0.00 ATOM 93 CB GLU 13 -27.620 3.879 21.654 1.00 0.00 ATOM 94 CG GLU 13 -28.902 3.250 22.176 1.00 0.00 ATOM 95 CD GLU 13 -30.143 3.852 21.546 1.00 0.00 ATOM 96 OE1 GLU 13 -29.999 4.738 20.677 1.00 0.00 ATOM 97 OE2 GLU 13 -31.260 3.436 21.921 1.00 0.00 ATOM 98 O GLU 13 -26.851 1.082 22.870 1.00 0.00 ATOM 99 C GLU 13 -26.342 1.865 22.068 1.00 0.00 ATOM 100 N ASN 14 -25.764 1.467 20.939 1.00 0.00 ATOM 101 CA ASN 14 -25.698 0.060 20.585 1.00 0.00 ATOM 102 CB ASN 14 -26.354 -0.184 19.225 1.00 0.00 ATOM 103 CG ASN 14 -25.637 0.528 18.095 1.00 0.00 ATOM 104 ND2 ASN 14 -26.142 0.362 16.879 1.00 0.00 ATOM 105 OD1 ASN 14 -24.642 1.217 18.315 1.00 0.00 ATOM 106 O ASN 14 -24.075 -1.590 19.986 1.00 0.00 ATOM 107 C ASN 14 -24.290 -0.486 20.487 1.00 0.00 ATOM 108 N GLY 15 -23.322 0.288 20.969 1.00 0.00 ATOM 109 CA GLY 15 -21.927 -0.136 20.932 1.00 0.00 ATOM 110 O GLY 15 -21.352 1.958 19.931 1.00 0.00 ATOM 111 C GLY 15 -21.116 0.763 20.027 1.00 0.00 ATOM 112 N TYR 16 -20.092 0.179 19.417 1.00 0.00 ATOM 113 CA TYR 16 -19.165 0.917 18.581 1.00 0.00 ATOM 114 CB TYR 16 -17.700 0.047 18.885 1.00 0.00 ATOM 115 CG TYR 16 -17.577 -0.607 20.230 1.00 0.00 ATOM 116 CD1 TYR 16 -18.386 -1.696 20.570 1.00 0.00 ATOM 117 CD2 TYR 16 -16.712 -0.098 21.196 1.00 0.00 ATOM 118 CE1 TYR 16 -18.336 -2.255 21.835 1.00 0.00 ATOM 119 CE2 TYR 16 -16.653 -0.651 22.473 1.00 0.00 ATOM 120 CZ TYR 16 -17.468 -1.727 22.785 1.00 0.00 ATOM 121 OH TYR 16 -17.422 -2.280 24.040 1.00 0.00 ATOM 122 O TYR 16 -19.028 1.598 16.278 1.00 0.00 ATOM 123 C TYR 16 -19.486 0.789 17.076 1.00 0.00 ATOM 124 N GLY 17 -20.214 -0.228 16.769 1.00 0.00 ATOM 125 CA GLY 17 -20.737 -0.383 15.406 1.00 0.00 ATOM 126 O GLY 17 -19.649 0.009 13.315 1.00 0.00 ATOM 127 C GLY 17 -19.693 -0.668 14.338 1.00 0.00 ATOM 128 N PHE 18 -18.918 -1.688 14.539 1.00 0.00 ATOM 129 CA PHE 18 -18.043 -2.193 13.484 1.00 0.00 ATOM 130 CB PHE 18 -16.684 -1.490 13.469 1.00 0.00 ATOM 131 CG PHE 18 -15.851 -1.755 14.690 1.00 0.00 ATOM 132 CD1 PHE 18 -14.941 -2.798 14.712 1.00 0.00 ATOM 133 CD2 PHE 18 -15.977 -0.963 15.819 1.00 0.00 ATOM 134 CE1 PHE 18 -14.174 -3.043 15.835 1.00 0.00 ATOM 135 CE2 PHE 18 -15.211 -1.207 16.942 1.00 0.00 ATOM 136 CZ PHE 18 -14.312 -2.242 16.954 1.00 0.00 ATOM 137 O PHE 18 -18.172 -4.232 14.742 1.00 0.00 ATOM 138 C PHE 18 -17.828 -3.688 13.692 1.00 0.00 ATOM 139 N HIS 19 -17.257 -4.351 12.691 1.00 0.00 ATOM 140 CA HIS 19 -17.002 -5.776 12.782 1.00 0.00 ATOM 141 CB HIS 19 -17.947 -6.507 11.825 1.00 0.00 ATOM 142 CG HIS 19 -19.396 -6.325 12.151 1.00 0.00 ATOM 143 CD2 HIS 19 -20.461 -5.444 11.694 1.00 0.00 ATOM 144 ND1 HIS 19 -20.050 -7.091 13.091 1.00 0.00 ATOM 145 CE1 HIS 19 -21.334 -6.698 13.162 1.00 0.00 ATOM 146 NE2 HIS 19 -21.587 -5.709 12.326 1.00 0.00 ATOM 147 O HIS 19 -14.926 -5.374 11.648 1.00 0.00 ATOM 148 C HIS 19 -15.548 -6.084 12.439 1.00 0.00 ATOM 149 N LEU 20 -15.010 -7.143 13.034 1.00 0.00 ATOM 150 CA LEU 20 -13.634 -7.528 12.777 1.00 0.00 ATOM 151 CB LEU 20 -12.790 -7.446 14.050 1.00 0.00 ATOM 152 CG LEU 20 -12.669 -6.064 14.694 1.00 0.00 ATOM 153 CD1 LEU 20 -11.909 -6.147 16.009 1.00 0.00 ATOM 154 CD2 LEU 20 -11.924 -5.105 13.776 1.00 0.00 ATOM 155 O LEU 20 -14.277 -9.837 12.714 1.00 0.00 ATOM 156 C LEU 20 -13.507 -8.967 12.316 1.00 0.00 ATOM 157 N ASN 21 -12.512 -9.206 11.476 1.00 0.00 ATOM 158 CA ASN 21 -12.206 -10.552 11.028 1.00 0.00 ATOM 159 CB ASN 21 -13.146 -10.927 9.880 1.00 0.00 ATOM 160 CG ASN 21 -12.816 -10.191 8.595 1.00 0.00 ATOM 161 ND2 ASN 21 -13.652 -10.374 7.580 1.00 0.00 ATOM 162 OD1 ASN 21 -11.822 -9.470 8.519 1.00 0.00 ATOM 163 O ASN 21 -10.207 -9.518 10.234 1.00 0.00 ATOM 164 C ASN 21 -10.787 -10.567 10.506 1.00 0.00 ATOM 165 N ALA 22 -10.212 -11.758 10.408 1.00 0.00 ATOM 166 CA ALA 22 -8.858 -11.865 9.900 1.00 0.00 ATOM 167 CB ALA 22 -8.244 -13.185 10.345 1.00 0.00 ATOM 168 O ALA 22 -9.945 -11.815 7.775 1.00 0.00 ATOM 169 C ALA 22 -8.878 -11.840 8.384 1.00 0.00 ATOM 170 N ILE 23 -7.702 -11.819 7.768 1.00 0.00 ATOM 171 CA ILE 23 -7.632 -11.825 6.317 1.00 0.00 ATOM 172 CB ILE 23 -6.973 -10.486 5.808 1.00 0.00 ATOM 173 CG1 ILE 23 -7.981 -9.338 5.959 1.00 0.00 ATOM 174 CG2 ILE 23 -6.533 -10.575 4.320 1.00 0.00 ATOM 175 CD1 ILE 23 -7.402 -7.961 5.757 1.00 0.00 ATOM 176 O ILE 23 -5.871 -13.436 6.509 1.00 0.00 ATOM 177 C ILE 23 -6.770 -12.973 5.805 1.00 0.00 ATOM 178 N ARG 24 -7.087 -13.424 4.599 1.00 0.00 ATOM 179 CA ARG 24 -6.316 -14.513 4.002 1.00 0.00 ATOM 180 CB ARG 24 -7.112 -15.133 2.833 1.00 0.00 ATOM 181 CG ARG 24 -8.477 -15.602 3.368 1.00 0.00 ATOM 182 CD ARG 24 -9.087 -16.676 2.510 1.00 0.00 ATOM 183 NE ARG 24 -9.268 -16.194 1.144 1.00 0.00 ATOM 184 CZ ARG 24 -9.883 -16.966 0.212 1.00 0.00 ATOM 185 NH1 ARG 24 -10.013 -16.464 -1.002 1.00 0.00 ATOM 186 NH2 ARG 24 -10.288 -18.194 0.453 1.00 0.00 ATOM 187 O ARG 24 -4.429 -13.178 3.358 1.00 0.00 ATOM 188 C ARG 24 -4.825 -14.202 3.915 1.00 0.00 ATOM 189 N GLY 25 -4.002 -15.087 4.468 1.00 0.00 ATOM 190 CA GLY 25 -2.567 -14.892 4.442 1.00 0.00 ATOM 191 O GLY 25 -0.820 -13.492 5.309 1.00 0.00 ATOM 192 C GLY 25 -1.994 -13.853 5.402 1.00 0.00 ATOM 193 N LEU 26 -2.824 -13.374 6.324 1.00 0.00 ATOM 194 CA LEU 26 -2.383 -12.380 7.294 1.00 0.00 ATOM 195 CB LEU 26 -3.159 -11.078 7.130 1.00 0.00 ATOM 196 CG LEU 26 -2.972 -10.353 5.793 1.00 0.00 ATOM 197 CD1 LEU 26 -4.003 -9.241 5.638 1.00 0.00 ATOM 198 CD2 LEU 26 -1.566 -9.810 5.724 1.00 0.00 ATOM 199 O LEU 26 -3.523 -13.598 9.004 1.00 0.00 ATOM 200 C LEU 26 -2.607 -12.838 8.723 1.00 0.00 ATOM 201 N PRO 27 -1.828 -12.238 9.668 1.00 0.00 ATOM 202 CA PRO 27 -1.959 -12.638 11.076 1.00 0.00 ATOM 203 CB PRO 27 -0.563 -12.404 11.641 1.00 0.00 ATOM 204 CG PRO 27 -0.048 -11.250 10.842 1.00 0.00 ATOM 205 CD PRO 27 -0.542 -11.522 9.423 1.00 0.00 ATOM 206 O PRO 27 -3.131 -12.276 13.103 1.00 0.00 ATOM 207 C PRO 27 -2.835 -11.821 12.002 1.00 0.00 ATOM 208 N GLY 28 -3.257 -10.649 11.583 1.00 0.00 ATOM 209 CA GLY 28 -4.107 -9.801 12.399 1.00 0.00 ATOM 210 O GLY 28 -6.116 -10.381 11.186 1.00 0.00 ATOM 211 C GLY 28 -5.571 -9.667 12.034 1.00 0.00 ATOM 212 N SER 29 -6.207 -8.714 12.706 1.00 0.00 ATOM 213 CA SER 29 -7.620 -8.436 12.507 1.00 0.00 ATOM 214 CB SER 29 -8.330 -8.245 13.850 1.00 0.00 ATOM 215 OG SER 29 -9.682 -7.861 13.663 1.00 0.00 ATOM 216 O SER 29 -7.039 -6.229 11.783 1.00 0.00 ATOM 217 C SER 29 -7.807 -7.179 11.670 1.00 0.00 ATOM 218 N PHE 30 -8.852 -7.196 10.842 1.00 0.00 ATOM 219 CA PHE 30 -9.180 -6.096 9.943 1.00 0.00 ATOM 220 CB PHE 30 -8.879 -6.487 8.486 1.00 0.00 ATOM 221 CG PHE 30 -7.457 -6.925 8.266 1.00 0.00 ATOM 222 CD1 PHE 30 -6.478 -5.999 7.897 1.00 0.00 ATOM 223 CD2 PHE 30 -7.092 -8.257 8.443 1.00 0.00 ATOM 224 CE1 PHE 30 -5.149 -6.401 7.705 1.00 0.00 ATOM 225 CE2 PHE 30 -5.762 -8.667 8.255 1.00 0.00 ATOM 226 CZ PHE 30 -4.796 -7.735 7.882 1.00 0.00 ATOM 227 O PHE 30 -11.467 -6.579 10.483 1.00 0.00 ATOM 228 C PHE 30 -10.657 -5.742 10.082 1.00 0.00 ATOM 229 N ILE 31 -11.005 -4.503 9.752 1.00 0.00 ATOM 230 CA ILE 31 -12.373 -4.068 9.844 1.00 0.00 ATOM 231 CB ILE 31 -12.482 -2.532 9.869 1.00 0.00 ATOM 232 CG1 ILE 31 -11.777 -1.968 11.106 1.00 0.00 ATOM 233 CG2 ILE 31 -13.940 -2.101 9.906 1.00 0.00 ATOM 234 CD1 ILE 31 -11.633 -0.462 11.092 1.00 0.00 ATOM 235 O ILE 31 -12.905 -4.135 7.505 1.00 0.00 ATOM 236 C ILE 31 -13.155 -4.565 8.632 1.00 0.00 ATOM 237 N LYS 32 -14.100 -5.470 8.865 1.00 0.00 ATOM 238 CA LYS 32 -14.900 -6.005 7.789 1.00 0.00 ATOM 239 CB LYS 32 -15.594 -7.285 8.256 1.00 0.00 ATOM 240 CG LYS 32 -16.402 -7.984 7.175 1.00 0.00 ATOM 241 CD LYS 32 -16.918 -9.330 7.653 1.00 0.00 ATOM 242 CE LYS 32 -17.723 -10.030 6.570 1.00 0.00 ATOM 243 NZ LYS 32 -18.193 -11.373 7.009 1.00 0.00 ATOM 244 O LYS 32 -16.242 -4.893 6.135 1.00 0.00 ATOM 245 C LYS 32 -15.991 -5.033 7.332 1.00 0.00 ATOM 246 N GLU 33 -16.633 -4.367 8.286 1.00 0.00 ATOM 247 CA GLU 33 -17.689 -3.415 7.964 1.00 0.00 ATOM 248 CB GLU 33 -19.053 -4.063 8.122 1.00 0.00 ATOM 249 CG GLU 33 -20.196 -3.114 7.776 1.00 0.00 ATOM 250 CD GLU 33 -21.548 -3.776 7.929 1.00 0.00 ATOM 251 OE1 GLU 33 -21.945 -4.052 9.082 1.00 0.00 ATOM 252 OE2 GLU 33 -22.207 -4.027 6.893 1.00 0.00 ATOM 253 O GLU 33 -17.498 -2.722 10.236 1.00 0.00 ATOM 254 C GLU 33 -17.769 -2.396 9.071 1.00 0.00 ATOM 255 N VAL 34 -18.131 -1.138 8.722 1.00 0.00 ATOM 256 CA VAL 34 -18.415 -0.091 9.660 1.00 0.00 ATOM 257 CB VAL 34 -17.572 1.162 9.363 1.00 0.00 ATOM 258 CG1 VAL 34 -17.900 2.271 10.351 1.00 0.00 ATOM 259 CG2 VAL 34 -16.088 0.844 9.473 1.00 0.00 ATOM 260 O VAL 34 -20.344 0.583 8.402 1.00 0.00 ATOM 261 C VAL 34 -19.895 0.241 9.498 1.00 0.00 ATOM 262 N GLN 35 -20.650 0.140 10.587 1.00 0.00 ATOM 263 CA GLN 35 -22.078 0.436 10.547 1.00 0.00 ATOM 264 CB GLN 35 -22.785 -0.065 11.807 1.00 0.00 ATOM 265 CG GLN 35 -24.291 0.141 11.797 1.00 0.00 ATOM 266 CD GLN 35 -24.973 -0.481 12.999 1.00 0.00 ATOM 267 OE1 GLN 35 -24.325 -1.108 13.836 1.00 0.00 ATOM 268 NE2 GLN 35 -26.286 -0.307 13.089 1.00 0.00 ATOM 269 O GLN 35 -21.712 2.759 11.059 1.00 0.00 ATOM 270 C GLN 35 -22.341 1.939 10.388 1.00 0.00 ATOM 271 N LYS 36 -23.269 2.292 9.504 1.00 0.00 ATOM 272 CA LYS 36 -23.602 3.693 9.276 1.00 0.00 ATOM 273 CB LYS 36 -24.678 3.850 8.199 1.00 0.00 ATOM 274 CG LYS 36 -25.046 5.293 7.896 1.00 0.00 ATOM 275 CD LYS 36 -26.071 5.378 6.776 1.00 0.00 ATOM 276 CE LYS 36 -26.418 6.821 6.453 1.00 0.00 ATOM 277 NZ LYS 36 -27.441 6.919 5.375 1.00 0.00 ATOM 278 O LYS 36 -25.057 3.742 11.169 1.00 0.00 ATOM 279 C LYS 36 -24.180 4.324 10.535 1.00 0.00 ATOM 280 N GLY 37 -23.679 5.515 10.869 1.00 0.00 ATOM 281 CA GLY 37 -24.124 6.262 12.033 1.00 0.00 ATOM 282 O GLY 37 -23.713 6.444 14.364 1.00 0.00 ATOM 283 C GLY 37 -23.449 5.859 13.327 1.00 0.00 ATOM 284 N GLY 38 -22.523 4.912 13.245 1.00 0.00 ATOM 285 CA GLY 38 -21.897 4.375 14.461 1.00 0.00 ATOM 286 O GLY 38 -20.106 5.937 14.245 1.00 0.00 ATOM 287 C GLY 38 -20.713 5.163 14.972 1.00 0.00 ATOM 288 N PRO 39 -20.396 4.995 16.262 1.00 0.00 ATOM 289 CA PRO 39 -19.236 5.698 16.813 1.00 0.00 ATOM 290 CB PRO 39 -19.098 5.139 18.231 1.00 0.00 ATOM 291 CG PRO 39 -20.465 4.649 18.573 1.00 0.00 ATOM 292 CD PRO 39 -21.033 4.079 17.304 1.00 0.00 ATOM 293 O PRO 39 -17.179 6.291 15.774 1.00 0.00 ATOM 294 C PRO 39 -18.010 5.407 15.946 1.00 0.00 ATOM 295 N ALA 40 -17.925 4.203 15.363 1.00 0.00 ATOM 296 CA ALA 40 -16.808 3.879 14.492 1.00 0.00 ATOM 297 CB ALA 40 -16.941 2.441 14.013 1.00 0.00 ATOM 298 O ALA 40 -15.696 5.299 12.896 1.00 0.00 ATOM 299 C ALA 40 -16.764 4.798 13.272 1.00 0.00 ATOM 300 N ASP 41 -17.915 5.037 12.682 1.00 0.00 ATOM 301 CA ASP 41 -18.003 5.964 11.552 1.00 0.00 ATOM 302 CB ASP 41 -19.407 5.993 10.944 1.00 0.00 ATOM 303 CG ASP 41 -19.476 6.818 9.673 1.00 0.00 ATOM 304 OD1 ASP 41 -18.786 6.464 8.696 1.00 0.00 ATOM 305 OD2 ASP 41 -20.219 7.822 9.657 1.00 0.00 ATOM 306 O ASP 41 -16.833 8.049 11.296 1.00 0.00 ATOM 307 C ASP 41 -17.616 7.377 11.973 1.00 0.00 ATOM 308 N LEU 42 -18.164 7.840 13.118 1.00 0.00 ATOM 309 CA LEU 42 -17.883 9.187 13.607 1.00 0.00 ATOM 310 CB LEU 42 -18.643 9.449 14.909 1.00 0.00 ATOM 311 CG LEU 42 -20.165 9.560 14.795 1.00 0.00 ATOM 312 CD1 LEU 42 -20.803 9.651 16.172 1.00 0.00 ATOM 313 CD2 LEU 42 -20.556 10.800 14.007 1.00 0.00 ATOM 314 O LEU 42 -15.866 10.492 13.683 1.00 0.00 ATOM 315 C LEU 42 -16.387 9.390 13.860 1.00 0.00 ATOM 316 N ALA 43 -15.703 8.326 14.270 1.00 0.00 ATOM 317 CA ALA 43 -14.273 8.407 14.540 1.00 0.00 ATOM 318 CB ALA 43 -13.903 7.334 15.552 1.00 0.00 ATOM 319 O ALA 43 -12.177 8.495 13.379 1.00 0.00 ATOM 320 C ALA 43 -13.390 8.288 13.303 1.00 0.00 ATOM 321 N GLY 44 -13.982 7.935 12.161 1.00 0.00 ATOM 322 CA GLY 44 -13.210 7.825 10.936 1.00 0.00 ATOM 323 O GLY 44 -11.825 6.327 9.674 1.00 0.00 ATOM 324 C GLY 44 -12.702 6.445 10.532 1.00 0.00 ATOM 325 N LEU 45 -13.256 5.405 11.146 1.00 0.00 ATOM 326 CA LEU 45 -12.850 4.055 10.835 1.00 0.00 ATOM 327 CB LEU 45 -13.379 3.046 11.857 1.00 0.00 ATOM 328 CG LEU 45 -12.851 3.189 13.286 1.00 0.00 ATOM 329 CD1 LEU 45 -13.545 2.206 14.217 1.00 0.00 ATOM 330 CD2 LEU 45 -11.355 2.914 13.337 1.00 0.00 ATOM 331 O LEU 45 -14.436 4.225 9.043 1.00 0.00 ATOM 332 C LEU 45 -13.386 3.723 9.447 1.00 0.00 ATOM 333 N GLU 46 -12.666 2.875 8.719 1.00 0.00 ATOM 334 CA GLU 46 -13.087 2.478 7.365 1.00 0.00 ATOM 335 CB GLU 46 -12.228 3.150 6.292 1.00 0.00 ATOM 336 CG GLU 46 -12.384 4.661 6.226 1.00 0.00 ATOM 337 CD GLU 46 -11.527 5.289 5.146 1.00 0.00 ATOM 338 OE1 GLU 46 -10.773 4.549 4.481 1.00 0.00 ATOM 339 OE2 GLU 46 -11.612 6.521 4.962 1.00 0.00 ATOM 340 O GLU 46 -12.046 0.348 7.719 1.00 0.00 ATOM 341 C GLU 46 -12.922 0.984 7.130 1.00 0.00 ATOM 342 N ASP 47 -13.763 0.423 6.268 1.00 0.00 ATOM 343 CA ASP 47 -13.695 -1.002 5.965 1.00 0.00 ATOM 344 CB ASP 47 -14.807 -1.398 4.990 1.00 0.00 ATOM 345 CG ASP 47 -16.170 -1.451 5.651 1.00 0.00 ATOM 346 OD1 ASP 47 -16.230 -1.374 6.897 1.00 0.00 ATOM 347 OD2 ASP 47 -17.179 -1.568 4.924 1.00 0.00 ATOM 348 O ASP 47 -11.853 -0.350 4.546 1.00 0.00 ATOM 349 C ASP 47 -12.322 -1.201 5.326 1.00 0.00 ATOM 350 N GLU 48 -11.672 -2.390 5.729 1.00 0.00 ATOM 351 CA GLU 48 -10.351 -2.683 5.197 1.00 0.00 ATOM 352 CB GLU 48 -10.472 -2.311 3.603 1.00 0.00 ATOM 353 CG GLU 48 -11.149 -3.302 2.679 1.00 0.00 ATOM 354 CD GLU 48 -10.325 -4.556 2.443 1.00 0.00 ATOM 355 OE1 GLU 48 -10.916 -5.664 2.441 1.00 0.00 ATOM 356 OE2 GLU 48 -9.091 -4.442 2.275 1.00 0.00 ATOM 357 O GLU 48 -8.059 -2.661 5.895 1.00 0.00 ATOM 358 C GLU 48 -9.211 -2.295 6.132 1.00 0.00 ATOM 359 N ASP 49 -9.505 -1.438 7.104 1.00 0.00 ATOM 360 CA ASP 49 -8.483 -0.993 8.072 1.00 0.00 ATOM 361 CB ASP 49 -9.080 -0.030 9.100 1.00 0.00 ATOM 362 CG ASP 49 -9.376 1.337 8.515 1.00 0.00 ATOM 363 OD1 ASP 49 -8.942 1.603 7.375 1.00 0.00 ATOM 364 OD2 ASP 49 -10.042 2.143 9.199 1.00 0.00 ATOM 365 O ASP 49 -8.606 -3.038 9.318 1.00 0.00 ATOM 366 C ASP 49 -7.883 -2.158 8.849 1.00 0.00 ATOM 367 N VAL 50 -6.565 -2.142 9.022 1.00 0.00 ATOM 368 CA VAL 50 -5.883 -3.207 9.755 1.00 0.00 ATOM 369 CB VAL 50 -4.518 -3.529 9.119 1.00 0.00 ATOM 370 CG1 VAL 50 -3.779 -4.571 9.944 1.00 0.00 ATOM 371 CG2 VAL 50 -4.703 -4.073 7.711 1.00 0.00 ATOM 372 O VAL 50 -5.194 -1.533 11.337 1.00 0.00 ATOM 373 C VAL 50 -5.671 -2.655 11.168 1.00 0.00 ATOM 374 N ILE 51 -6.024 -3.448 12.175 1.00 0.00 ATOM 375 CA ILE 51 -5.863 -3.026 13.561 1.00 0.00 ATOM 376 CB ILE 51 -6.853 -3.729 14.508 1.00 0.00 ATOM 377 CG1 ILE 51 -8.294 -3.485 14.051 1.00 0.00 ATOM 378 CG2 ILE 51 -6.702 -3.199 15.926 1.00 0.00 ATOM 379 CD1 ILE 51 -8.682 -2.024 14.009 1.00 0.00 ATOM 380 O ILE 51 -4.107 -4.497 14.221 1.00 0.00 ATOM 381 C ILE 51 -4.458 -3.328 14.058 1.00 0.00 ATOM 382 N ILE 52 -3.749 -2.288 14.488 1.00 0.00 ATOM 383 CA ILE 52 -2.393 -2.425 15.015 1.00 0.00 ATOM 384 CB ILE 52 -1.479 -1.287 14.572 1.00 0.00 ATOM 385 CG1 ILE 52 -1.431 -1.232 13.043 1.00 0.00 ATOM 386 CG2 ILE 52 -0.067 -1.512 15.109 1.00 0.00 ATOM 387 CD1 ILE 52 -1.160 -2.576 12.379 1.00 0.00 ATOM 388 O ILE 52 -1.759 -3.205 17.195 1.00 0.00 ATOM 389 C ILE 52 -2.422 -2.394 16.547 1.00 0.00 ATOM 390 N GLU 53 -3.158 -1.444 17.126 1.00 0.00 ATOM 391 CA GLU 53 -3.271 -1.355 18.588 1.00 0.00 ATOM 392 CB GLU 53 -2.370 -0.244 19.129 1.00 0.00 ATOM 393 CG GLU 53 -0.887 -0.474 18.887 1.00 0.00 ATOM 394 CD GLU 53 -0.024 0.636 19.452 1.00 0.00 ATOM 395 OE1 GLU 53 -0.590 1.611 19.994 1.00 0.00 ATOM 396 OE2 GLU 53 1.216 0.534 19.355 1.00 0.00 ATOM 397 O GLU 53 -5.329 -0.159 18.396 1.00 0.00 ATOM 398 C GLU 53 -4.706 -1.063 18.987 1.00 0.00 ATOM 399 N VAL 54 -5.059 -1.564 20.161 1.00 0.00 ATOM 400 CA VAL 54 -6.308 -1.250 20.860 1.00 0.00 ATOM 401 CB VAL 54 -7.174 -2.516 20.984 1.00 0.00 ATOM 402 CG1 VAL 54 -8.492 -2.195 21.672 1.00 0.00 ATOM 403 CG2 VAL 54 -7.479 -3.091 19.609 1.00 0.00 ATOM 404 O VAL 54 -5.301 -1.383 23.038 1.00 0.00 ATOM 405 C VAL 54 -5.941 -0.694 22.228 1.00 0.00 ATOM 406 N ASN 55 -6.290 0.592 22.475 1.00 0.00 ATOM 407 CA ASN 55 -5.961 1.232 23.744 1.00 0.00 ATOM 408 CB ASN 55 -7.022 1.029 24.950 1.00 0.00 ATOM 409 CG ASN 55 -8.416 0.782 24.411 1.00 0.00 ATOM 410 ND2 ASN 55 -8.914 -0.425 24.600 1.00 0.00 ATOM 411 OD1 ASN 55 -9.025 1.649 23.782 1.00 0.00 ATOM 412 O ASN 55 -4.103 0.830 25.220 1.00 0.00 ATOM 413 C ASN 55 -4.481 1.108 24.079 1.00 0.00 ATOM 414 N GLY 56 -3.653 1.252 23.054 1.00 0.00 ATOM 415 CA GLY 56 -2.204 1.279 23.247 1.00 0.00 ATOM 416 O GLY 56 -0.280 -0.107 23.601 1.00 0.00 ATOM 417 C GLY 56 -1.470 -0.057 23.286 1.00 0.00 ATOM 418 N VAL 57 -2.209 -1.147 23.103 1.00 0.00 ATOM 419 CA VAL 57 -1.611 -2.473 23.117 1.00 0.00 ATOM 420 CB VAL 57 -2.403 -3.450 24.007 1.00 0.00 ATOM 421 CG1 VAL 57 -1.801 -4.845 23.933 1.00 0.00 ATOM 422 CG2 VAL 57 -2.374 -2.990 25.456 1.00 0.00 ATOM 423 O VAL 57 -2.594 -2.907 20.971 1.00 0.00 ATOM 424 C VAL 57 -1.597 -3.006 21.688 1.00 0.00 ATOM 425 N ASN 58 -0.467 -3.573 21.277 1.00 0.00 ATOM 426 CA ASN 58 -0.344 -4.118 19.934 1.00 0.00 ATOM 427 CB ASN 58 1.112 -4.500 19.661 1.00 0.00 ATOM 428 CG ASN 58 2.024 -3.292 19.570 1.00 0.00 ATOM 429 ND2 ASN 58 3.313 -3.506 19.808 1.00 0.00 ATOM 430 OD1 ASN 58 1.574 -2.182 19.287 1.00 0.00 ATOM 431 O ASN 58 -1.282 -6.207 20.649 1.00 0.00 ATOM 432 C ASN 58 -1.236 -5.345 19.771 1.00 0.00 ATOM 433 N VAL 59 -1.997 -5.386 18.681 1.00 0.00 ATOM 434 CA VAL 59 -2.885 -6.513 18.422 1.00 0.00 ATOM 435 CB VAL 59 -4.370 -6.106 18.452 1.00 0.00 ATOM 436 CG1 VAL 59 -4.768 -5.644 19.846 1.00 0.00 ATOM 437 CG2 VAL 59 -4.631 -4.969 17.476 1.00 0.00 ATOM 438 O VAL 59 -3.491 -7.847 16.517 1.00 0.00 ATOM 439 C VAL 59 -2.629 -7.150 17.060 1.00 0.00 ATOM 440 N LEU 60 -1.488 -6.827 16.465 1.00 0.00 ATOM 441 CA LEU 60 -1.155 -7.350 15.145 1.00 0.00 ATOM 442 CB LEU 60 0.245 -6.848 14.757 1.00 0.00 ATOM 443 CG LEU 60 0.722 -7.249 13.371 1.00 0.00 ATOM 444 CD1 LEU 60 -0.203 -6.711 12.292 1.00 0.00 ATOM 445 CD2 LEU 60 2.144 -6.735 13.176 1.00 0.00 ATOM 446 O LEU 60 -1.693 -9.446 14.089 1.00 0.00 ATOM 447 C LEU 60 -1.202 -8.870 15.070 1.00 0.00 ATOM 448 N ASP 61 -0.791 -9.519 16.154 1.00 0.00 ATOM 449 CA ASP 61 -0.645 -10.971 16.146 1.00 0.00 ATOM 450 CB ASP 61 0.721 -11.403 16.680 1.00 0.00 ATOM 451 CG ASP 61 0.941 -10.991 18.121 1.00 0.00 ATOM 452 OD1 ASP 61 0.043 -10.340 18.697 1.00 0.00 ATOM 453 OD2 ASP 61 2.011 -11.317 18.678 1.00 0.00 ATOM 454 O ASP 61 -1.673 -12.938 17.017 1.00 0.00 ATOM 455 C ASP 61 -1.659 -11.707 16.989 1.00 0.00 ATOM 456 N GLU 62 -2.622 -10.969 17.530 1.00 0.00 ATOM 457 CA GLU 62 -3.658 -11.570 18.361 1.00 0.00 ATOM 458 CB GLU 62 -4.044 -10.597 19.508 1.00 0.00 ATOM 459 CG GLU 62 -2.915 -10.355 20.519 1.00 0.00 ATOM 460 CD GLU 62 -2.406 -11.636 21.191 1.00 0.00 ATOM 461 OE1 GLU 62 -3.231 -12.464 21.637 1.00 0.00 ATOM 462 OE2 GLU 62 -1.172 -11.814 21.286 1.00 0.00 ATOM 463 O GLU 62 -5.063 -11.695 16.418 1.00 0.00 ATOM 464 C GLU 62 -4.827 -12.107 17.554 1.00 0.00 ATOM 465 N PRO 63 -5.555 -13.037 18.162 1.00 0.00 ATOM 466 CA PRO 63 -6.707 -13.649 17.518 1.00 0.00 ATOM 467 CB PRO 63 -6.970 -14.901 18.357 1.00 0.00 ATOM 468 CG PRO 63 -6.543 -14.522 19.737 1.00 0.00 ATOM 469 CD PRO 63 -5.335 -13.644 19.573 1.00 0.00 ATOM 470 O PRO 63 -7.926 -11.658 18.119 1.00 0.00 ATOM 471 C PRO 63 -7.903 -12.709 17.472 1.00 0.00 ATOM 472 N TYR 64 -8.893 -13.096 16.680 1.00 0.00 ATOM 473 CA TYR 64 -10.123 -12.332 16.573 1.00 0.00 ATOM 474 CB TYR 64 -11.041 -13.059 15.574 1.00 0.00 ATOM 475 CG TYR 64 -12.385 -12.430 15.552 1.00 0.00 ATOM 476 CD1 TYR 64 -12.659 -11.287 14.844 1.00 0.00 ATOM 477 CD2 TYR 64 -13.429 -12.915 16.329 1.00 0.00 ATOM 478 CE1 TYR 64 -13.915 -10.691 14.880 1.00 0.00 ATOM 479 CE2 TYR 64 -14.678 -12.331 16.373 1.00 0.00 ATOM 480 CZ TYR 64 -14.924 -11.175 15.691 1.00 0.00 ATOM 481 OH TYR 64 -16.162 -10.499 15.672 1.00 0.00 ATOM 482 O TYR 64 -11.276 -11.061 18.256 1.00 0.00 ATOM 483 C TYR 64 -10.813 -12.154 17.929 1.00 0.00 ATOM 484 N GLU 65 -10.878 -13.228 18.709 1.00 0.00 ATOM 485 CA GLU 65 -11.511 -13.171 20.022 1.00 0.00 ATOM 486 CB GLU 65 -11.587 -14.531 20.719 1.00 0.00 ATOM 487 CG GLU 65 -12.603 -15.484 20.112 1.00 0.00 ATOM 488 CD GLU 65 -12.565 -16.859 20.747 1.00 0.00 ATOM 489 OE1 GLU 65 -11.693 -17.090 21.612 1.00 0.00 ATOM 490 OE2 GLU 65 -13.406 -17.707 20.379 1.00 0.00 ATOM 491 O GLU 65 -11.373 -11.471 21.691 1.00 0.00 ATOM 492 C GLU 65 -10.760 -12.245 20.952 1.00 0.00 ATOM 493 N LYS 66 -9.434 -12.318 20.916 1.00 0.00 ATOM 494 CA LYS 66 -8.623 -11.476 21.783 1.00 0.00 ATOM 495 CB LYS 66 -7.138 -11.797 21.604 1.00 0.00 ATOM 496 CG LYS 66 -6.218 -11.005 22.520 1.00 0.00 ATOM 497 CD LYS 66 -6.397 -11.417 23.972 1.00 0.00 ATOM 498 CE LYS 66 -5.385 -10.726 24.872 1.00 0.00 ATOM 499 NZ LYS 66 -5.544 -11.128 26.297 1.00 0.00 ATOM 500 O LYS 66 -9.083 -9.202 22.393 1.00 0.00 ATOM 501 C LYS 66 -8.862 -10.000 21.485 1.00 0.00 ATOM 502 N VAL 67 -8.867 -9.659 20.211 1.00 0.00 ATOM 503 CA VAL 67 -9.082 -8.276 19.801 1.00 0.00 ATOM 504 CB VAL 67 -8.881 -8.068 18.289 1.00 0.00 ATOM 505 CG1 VAL 67 -9.260 -6.650 17.891 1.00 0.00 ATOM 506 CG2 VAL 67 -7.427 -8.302 17.907 1.00 0.00 ATOM 507 O VAL 67 -10.677 -6.697 20.622 1.00 0.00 ATOM 508 C VAL 67 -10.493 -7.813 20.150 1.00 0.00 ATOM 509 N VAL 68 -11.482 -8.647 19.857 1.00 0.00 ATOM 510 CA VAL 68 -12.868 -8.317 20.163 1.00 0.00 ATOM 511 CB VAL 68 -13.818 -9.409 19.625 1.00 0.00 ATOM 512 CG1 VAL 68 -15.264 -9.092 20.031 1.00 0.00 ATOM 513 CG2 VAL 68 -13.699 -9.514 18.094 1.00 0.00 ATOM 514 O VAL 68 -13.799 -7.199 22.076 1.00 0.00 ATOM 515 C VAL 68 -13.068 -8.097 21.663 1.00 0.00 ATOM 516 N ASP 69 -12.427 -8.915 22.491 1.00 0.00 ATOM 517 CA ASP 69 -12.575 -8.750 23.930 1.00 0.00 ATOM 518 CB ASP 69 -11.898 -9.902 24.675 1.00 0.00 ATOM 519 CG ASP 69 -12.685 -11.197 24.583 1.00 0.00 ATOM 520 OD1 ASP 69 -13.853 -11.151 24.146 1.00 0.00 ATOM 521 OD2 ASP 69 -12.130 -12.255 24.945 1.00 0.00 ATOM 522 O ASP 69 -12.539 -6.774 25.264 1.00 0.00 ATOM 523 C ASP 69 -11.955 -7.449 24.413 1.00 0.00 ATOM 524 N ARG 70 -10.832 -7.038 23.824 1.00 0.00 ATOM 525 CA ARG 70 -10.221 -5.778 24.243 1.00 0.00 ATOM 526 CB ARG 70 -8.921 -5.531 23.475 1.00 0.00 ATOM 527 CG ARG 70 -7.797 -6.490 23.831 1.00 0.00 ATOM 528 CD ARG 70 -6.533 -6.175 23.048 1.00 0.00 ATOM 529 NE ARG 70 -5.460 -7.122 23.337 1.00 0.00 ATOM 530 CZ ARG 70 -4.643 -7.030 24.382 1.00 0.00 ATOM 531 NH1 ARG 70 -3.693 -7.938 24.565 1.00 0.00 ATOM 532 NH2 ARG 70 -4.775 -6.027 25.241 1.00 0.00 ATOM 533 O ARG 70 -11.516 -3.895 24.947 1.00 0.00 ATOM 534 C ARG 70 -11.198 -4.624 24.007 1.00 0.00 ATOM 535 N ILE 71 -11.938 -4.701 22.906 1.00 0.00 ATOM 536 CA ILE 71 -12.901 -3.660 22.560 1.00 0.00 ATOM 537 CB ILE 71 -13.300 -3.795 21.079 1.00 0.00 ATOM 538 CG1 ILE 71 -12.094 -3.536 20.174 1.00 0.00 ATOM 539 CG2 ILE 71 -14.390 -2.794 20.727 1.00 0.00 ATOM 540 CD1 ILE 71 -12.332 -3.885 18.722 1.00 0.00 ATOM 541 O ILE 71 -14.720 -2.641 23.709 1.00 0.00 ATOM 542 C ILE 71 -14.149 -3.698 23.435 1.00 0.00 ATOM 543 N GLN 72 -14.780 -4.865 23.518 1.00 0.00 ATOM 544 CA GLN 72 -15.978 -5.015 24.324 1.00 0.00 ATOM 545 CB GLN 72 -16.451 -6.470 24.348 1.00 0.00 ATOM 546 CG GLN 72 -16.962 -6.979 23.011 1.00 0.00 ATOM 547 CD GLN 72 -17.349 -8.443 23.053 1.00 0.00 ATOM 548 OE1 GLN 72 -17.199 -9.105 24.081 1.00 0.00 ATOM 549 NE2 GLN 72 -17.850 -8.955 21.935 1.00 0.00 ATOM 550 O GLN 72 -16.758 -4.062 26.384 1.00 0.00 ATOM 551 C GLN 72 -15.808 -4.550 25.770 1.00 0.00 ATOM 552 N SER 73 -14.636 -4.806 26.344 1.00 0.00 ATOM 553 CA SER 73 -14.366 -4.404 27.720 1.00 0.00 ATOM 554 CB SER 73 -13.162 -5.160 28.285 1.00 0.00 ATOM 555 OG SER 73 -11.970 -4.796 27.612 1.00 0.00 ATOM 556 O SER 73 -14.090 -2.414 28.999 1.00 0.00 ATOM 557 C SER 73 -14.091 -2.908 27.882 1.00 0.00 ATOM 558 N SER 74 -13.960 -2.180 26.775 1.00 0.00 ATOM 559 CA SER 74 -13.757 -0.723 26.823 1.00 0.00 ATOM 560 CB SER 74 -12.973 -0.262 25.594 1.00 0.00 ATOM 561 OG SER 74 -11.701 -0.884 25.537 1.00 0.00 ATOM 562 O SER 74 -15.792 0.077 25.809 1.00 0.00 ATOM 563 C SER 74 -15.185 -0.169 26.848 1.00 0.00 ATOM 564 N GLY 75 -15.702 0.087 28.046 1.00 0.00 ATOM 565 CA GLY 75 -17.090 0.494 28.189 1.00 0.00 ATOM 566 O GLY 75 -18.580 2.055 27.180 1.00 0.00 ATOM 567 C GLY 75 -17.452 1.859 27.662 1.00 0.00 ATOM 568 N LYS 76 -16.526 2.805 27.728 1.00 0.00 ATOM 569 CA LYS 76 -16.832 4.176 27.336 1.00 0.00 ATOM 570 CB LYS 76 -16.376 5.108 28.460 1.00 0.00 ATOM 571 CG LYS 76 -17.127 4.918 29.769 1.00 0.00 ATOM 572 CD LYS 76 -16.606 5.856 30.846 1.00 0.00 ATOM 573 CE LYS 76 -17.347 5.656 32.158 1.00 0.00 ATOM 574 NZ LYS 76 -16.843 6.564 33.224 1.00 0.00 ATOM 575 O LYS 76 -16.776 5.301 25.220 1.00 0.00 ATOM 576 C LYS 76 -16.162 4.632 26.046 1.00 0.00 ATOM 577 N ASN 77 -14.914 4.331 25.872 1.00 0.00 ATOM 578 CA ASN 77 -14.171 4.741 24.688 1.00 0.00 ATOM 579 CB ASN 77 -13.522 6.097 24.972 1.00 0.00 ATOM 580 CG ASN 77 -14.544 7.201 25.169 1.00 0.00 ATOM 581 ND2 ASN 77 -14.747 7.600 26.418 1.00 0.00 ATOM 582 OD1 ASN 77 -15.140 7.685 24.207 1.00 0.00 ATOM 583 O ASN 77 -12.651 2.991 25.224 1.00 0.00 ATOM 584 C ASN 77 -13.168 3.675 24.315 1.00 0.00 ATOM 585 N VAL 78 -12.771 3.686 23.046 1.00 0.00 ATOM 586 CA VAL 78 -11.661 2.840 22.618 1.00 0.00 ATOM 587 CB VAL 78 -12.206 1.532 22.017 1.00 0.00 ATOM 588 CG1 VAL 78 -13.048 1.823 20.784 1.00 0.00 ATOM 589 CG2 VAL 78 -11.062 0.614 21.611 1.00 0.00 ATOM 590 O VAL 78 -11.296 4.322 20.770 1.00 0.00 ATOM 591 C VAL 78 -10.790 3.579 21.612 1.00 0.00 ATOM 592 N THR 79 -9.479 3.379 21.701 1.00 0.00 ATOM 593 CA THR 79 -8.550 4.035 20.788 1.00 0.00 ATOM 594 CB THR 79 -7.376 4.692 21.536 1.00 0.00 ATOM 595 CG2 THR 79 -6.387 5.296 20.551 1.00 0.00 ATOM 596 OG1 THR 79 -7.872 5.731 22.390 1.00 0.00 ATOM 597 O THR 79 -7.294 2.041 20.350 1.00 0.00 ATOM 598 C THR 79 -7.990 2.948 19.889 1.00 0.00 ATOM 599 N LEU 80 -8.256 3.055 18.594 1.00 0.00 ATOM 600 CA LEU 80 -7.779 2.063 17.643 1.00 0.00 ATOM 601 CB LEU 80 -8.945 1.571 16.784 1.00 0.00 ATOM 602 CG LEU 80 -10.109 0.915 17.534 1.00 0.00 ATOM 603 CD1 LEU 80 -11.250 0.594 16.580 1.00 0.00 ATOM 604 CD2 LEU 80 -9.662 -0.379 18.195 1.00 0.00 ATOM 605 O LEU 80 -6.976 3.631 16.018 1.00 0.00 ATOM 606 C LEU 80 -6.727 2.681 16.733 1.00 0.00 ATOM 607 N LEU 81 -5.546 2.091 16.748 1.00 0.00 ATOM 608 CA LEU 81 -4.471 2.482 15.823 1.00 0.00 ATOM 609 CB LEU 81 -3.099 2.348 16.487 1.00 0.00 ATOM 610 CG LEU 81 -1.894 2.745 15.635 1.00 0.00 ATOM 611 CD1 LEU 81 -1.934 4.230 15.304 1.00 0.00 ATOM 612 CD2 LEU 81 -0.595 2.459 16.374 1.00 0.00 ATOM 613 O LEU 81 -4.566 0.321 14.876 1.00 0.00 ATOM 614 C LEU 81 -4.573 1.532 14.673 1.00 0.00 ATOM 615 N VAL 82 -4.803 2.086 13.450 1.00 0.00 ATOM 616 CA VAL 82 -5.106 1.307 12.262 1.00 0.00 ATOM 617 CB VAL 82 -6.567 1.415 11.789 1.00 0.00 ATOM 618 CG1 VAL 82 -7.513 0.883 12.856 1.00 0.00 ATOM 619 CG2 VAL 82 -6.931 2.865 11.506 1.00 0.00 ATOM 620 O VAL 82 -4.031 2.981 10.934 1.00 0.00 ATOM 621 C VAL 82 -4.372 1.795 11.040 1.00 0.00 ATOM 622 N CYS 83 -4.132 0.819 10.129 1.00 0.00 ATOM 623 CA CYS 83 -3.466 1.101 8.871 1.00 0.00 ATOM 624 CB CYS 83 -2.312 0.149 8.650 1.00 0.00 ATOM 625 SG CYS 83 -0.986 0.342 9.854 1.00 0.00 ATOM 626 O CYS 83 -5.142 -0.131 7.659 1.00 0.00 ATOM 627 C CYS 83 -4.558 0.947 7.821 1.00 0.00 ATOM 628 N GLY 84 -4.786 2.023 7.079 1.00 0.00 ATOM 629 CA GLY 84 -5.826 2.036 6.062 1.00 0.00 ATOM 630 O GLY 84 -4.337 0.882 4.591 1.00 0.00 ATOM 631 C GLY 84 -5.500 1.142 4.894 1.00 0.00 ATOM 632 N LYS 85 -6.502 0.622 4.217 1.00 0.00 ATOM 633 CA LYS 85 -6.381 -0.258 3.064 1.00 0.00 ATOM 634 CB LYS 85 -7.607 -0.875 2.561 1.00 0.00 ATOM 635 CG LYS 85 -8.504 -0.055 1.717 1.00 0.00 ATOM 636 CD LYS 85 -9.418 -0.941 0.800 1.00 0.00 ATOM 637 CE LYS 85 -10.650 -0.097 0.399 1.00 0.00 ATOM 638 NZ LYS 85 -11.572 -0.700 -0.600 1.00 0.00 ATOM 639 O LYS 85 -5.696 1.688 1.844 1.00 0.00 ATOM 640 C LYS 85 -5.694 0.459 1.915 1.00 0.00 ATOM 641 N LYS 86 -4.929 -0.302 1.158 1.00 0.00 ATOM 642 CA LYS 86 -4.253 0.235 -0.009 1.00 0.00 ATOM 643 CB LYS 86 -3.106 0.803 -0.088 1.00 0.00 ATOM 644 CG LYS 86 -2.618 0.894 -1.532 1.00 0.00 ATOM 645 CD LYS 86 -1.126 1.185 -1.616 1.00 0.00 ATOM 646 CE LYS 86 -0.780 2.543 -1.049 1.00 0.00 ATOM 647 NZ LYS 86 0.709 2.712 -0.944 1.00 0.00 ATOM 648 O LYS 86 -4.066 -2.025 -0.859 1.00 0.00 ATOM 649 C LYS 86 -4.277 -0.822 -1.129 1.00 0.00 ATOM 650 N ALA 87 -4.560 -0.385 -2.322 1.00 0.00 ATOM 651 CA ALA 87 -4.580 -1.314 -3.453 1.00 0.00 ATOM 652 CB ALA 87 -5.916 -2.111 -3.406 1.00 0.00 ATOM 653 O ALA 87 -4.607 0.662 -4.823 1.00 0.00 ATOM 654 C ALA 87 -4.367 -0.551 -4.751 1.00 0.00 ATOM 655 N GLN 88 -3.798 -1.242 -5.737 1.00 0.00 ATOM 656 CA GLN 88 -3.516 -0.656 -7.050 1.00 0.00 ATOM 657 CB GLN 88 -2.158 -1.118 -7.583 1.00 0.00 ATOM 658 CG GLN 88 -0.981 -0.735 -6.701 1.00 0.00 ATOM 659 CD GLN 88 0.340 -1.250 -7.236 1.00 0.00 ATOM 660 OE1 GLN 88 0.381 -1.953 -8.247 1.00 0.00 ATOM 661 NE2 GLN 88 1.428 -0.902 -6.559 1.00 0.00 ATOM 662 O GLN 88 -4.751 -0.412 -9.068 1.00 0.00 ATOM 663 C GLN 88 -4.619 -1.045 -8.022 1.00 0.00 ATOM 664 N ASP 89 -5.636 -1.711 -7.488 1.00 0.00 ATOM 665 CA ASP 89 -6.770 -2.158 -8.279 1.00 0.00 ATOM 666 CB ASP 89 -7.344 -3.455 -7.700 1.00 0.00 ATOM 667 CG ASP 89 -8.499 -3.995 -8.519 1.00 0.00 ATOM 668 OD1 ASP 89 -8.931 -3.305 -9.465 1.00 0.00 ATOM 669 OD2 ASP 89 -8.973 -5.109 -8.212 1.00 0.00 ATOM 670 O ASP 89 -8.448 -0.781 -7.244 1.00 0.00 ATOM 671 C ASP 89 -7.869 -1.089 -8.286 1.00 0.00 ATOM 672 N THR 90 -8.088 -0.471 -9.442 1.00 0.00 ATOM 673 CA THR 90 -9.120 0.555 -9.594 1.00 0.00 ATOM 674 CB THR 90 -8.569 1.831 -10.259 1.00 0.00 ATOM 675 CG2 THR 90 -9.673 2.864 -10.424 1.00 0.00 ATOM 676 OG1 THR 90 -7.531 2.387 -9.443 1.00 0.00 ATOM 677 O THR 90 -10.031 -0.345 -11.640 1.00 0.00 ATOM 678 C THR 90 -10.246 -0.028 -10.470 1.00 0.00 ATOM 679 N VAL 91 -11.444 -0.151 -9.911 1.00 0.00 ATOM 680 CA VAL 91 -12.595 -0.671 -10.629 1.00 0.00 ATOM 681 CB VAL 91 -13.289 -1.777 -9.830 1.00 0.00 ATOM 682 CG1 VAL 91 -14.459 -2.410 -10.614 1.00 0.00 ATOM 683 CG2 VAL 91 -12.288 -2.839 -9.409 1.00 0.00 ATOM 684 O VAL 91 -13.142 1.658 -10.582 1.00 0.00 ATOM 685 C VAL 91 -13.540 0.505 -10.800 1.00 0.00 TER END