PFRMAT TS TARGET T0472 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 Although T0472 has fairly easy homology to 3bidA, it was not a trivial METHOD target to model. The 3bid structure has strand-swapped dimers, and METHOD T0472 has two copies of the 3bid monomer. It is not long enough, METHOD however, to contain a full strand-swapped dimer from 3bid and the ends METHOD of the monomers there are not close enough to make a good single chain. METHOD METHOD My main line of reasoning was that the C-terminal strand would still METHOD exist and swap to the N-terminal domain, but that the last strand of METHOD the first domain would simply be missing, allowing a fairly easy METHOD connection between domains. I achieved this structure mainly by METHOD adding constraints to the undertaker cost function, after METHOD superimposing models of the two domains on 3bidA and 3bidB, to get the METHOD basic shape to measure constraints from. METHOD METHOD I noticed that the 3bid dimers further multimerized in some cases, so METHOD attempted to do further optimization by dimerizing T0472. This made METHOD very little difference. I actually tried dimerizing alternately on METHOD both the edge strands of the model, starting and ending by dimerizing METHOD on the C-terminal edge strand, in the middle trying to dimerizing by METHOD making an antiparallel connection between the C-terminal domain METHOD 3-strand sheets. METHOD METHOD METHOD Model METHOD 1 T0472.try13-opt3.pdb chain A METHOD # < dimer-try12-from-try11 < dimer-try11AG-C-term < dimer-try10-AG < try9-opt3 < MQAX8-opt3 < SAM-T08-server_TS1 METHOD METHOD 2 T0472.try10-opt3.pdb # < try9-opt3 < MQAX8-opt3 < SAM-T08-server_TS1 METHOD METHOD This is the monomric model I like best, with essentially no breaks or METHOD clashes, but still a compact model with the final strand where METHOD I wanted it. METHOD METHOD 3 T0472.try6-opt3.pdb # < MQAX1-opt3 < BAKER-ROBETTA_TS4 METHOD This metaserver model represents a very different approach METHOD for handling the final strand---attaching it to the C-terminal domain. METHOD It is more compatible with the secondary-structure METHOD prediction, which predicts a helix for E53-A57, but I prefer METHOD a structure that has greater similarity between the tandem repeats. METHOD METHOD 4 T0472.MQAX7-opt3.pdb # < RAPTOR_TS1 METHOD I was not certain of the phase of the last strand. This is an METHOD earlier attempt that undertaker did not manage to close. METHOD I think the final strand is off by 2. Interestingly, the METHOD RAPTOR_TS1 model that it was optimized from has the strand METHOD where I eventually ended up putting it, so this optimization METHOD was a failed attempt to move it out of what I now think is the METHOD right position. METHOD METHOD METHOD 5 T0472.MQAU1-opt3.gromacs0.pdb # < SAM-T08-server_TS1 METHOD This is an early metaserver prediction, before I had decided METHOD to force the C-terminal strand to swap to the first domain. METHOD It is based on the same server prediction as model1, but does METHOD not have the benefit of the constraints that held the METHOD configuration to look like 3bid. It is representative of the METHOD models generated by automatic mathods, where human intution METHOD was not applied. REMARK 6 REMARK 6 T0472 model 3 Tue Jul 8 02:14:47 2008 MODEL 3 PARENT N/A ATOM 1 N MET 1 1.235 5.008 -0.953 1.00 0.00 ATOM 2 CA MET 1 1.589 4.113 0.144 1.00 0.00 ATOM 3 CB MET 1 1.019 2.671 -0.866 1.00 0.00 ATOM 4 CG MET 1 0.364 1.433 -0.257 1.00 0.00 ATOM 5 SD MET 1 0.315 0.017 -1.383 1.00 0.00 ATOM 6 CE MET 1 -1.254 0.283 -2.208 1.00 0.00 ATOM 7 O MET 1 3.342 3.936 1.771 1.00 0.00 ATOM 8 C MET 1 2.959 4.454 0.721 1.00 0.00 ATOM 9 N SER 2 3.702 5.309 0.025 1.00 0.00 ATOM 10 CA SER 2 5.008 5.678 0.470 1.00 0.00 ATOM 11 CB SER 2 5.660 6.574 -0.577 1.00 0.00 ATOM 12 OG SER 2 6.946 6.998 -0.155 1.00 0.00 ATOM 13 O SER 2 4.164 7.303 2.021 1.00 0.00 ATOM 14 C SER 2 4.968 6.391 1.818 1.00 0.00 ATOM 15 N GLY 3 5.836 5.977 2.735 1.00 0.00 ATOM 16 CA GLY 3 5.882 6.586 4.046 1.00 0.00 ATOM 17 O GLY 3 7.137 4.691 4.805 1.00 0.00 ATOM 18 C GLY 3 6.378 5.613 5.105 1.00 0.00 ATOM 19 N TRP 4 5.943 5.813 6.345 1.00 0.00 ATOM 20 CA TRP 4 6.346 4.935 7.438 1.00 0.00 ATOM 21 CB TRP 4 6.064 5.680 8.702 1.00 0.00 ATOM 22 CG TRP 4 7.310 6.421 9.114 1.00 0.00 ATOM 23 CD1 TRP 4 8.574 5.926 9.066 1.00 0.00 ATOM 24 CD2 TRP 4 7.440 7.740 9.634 1.00 0.00 ATOM 25 CE2 TRP 4 8.809 7.982 9.873 1.00 0.00 ATOM 26 CE3 TRP 4 6.512 8.782 9.906 1.00 0.00 ATOM 27 NE1 TRP 4 9.487 6.850 9.513 1.00 0.00 ATOM 28 CZ2 TRP 4 9.277 9.233 10.395 1.00 0.00 ATOM 29 CZ3 TRP 4 6.973 9.980 10.415 1.00 0.00 ATOM 30 CH2 TRP 4 8.343 10.203 10.655 1.00 0.00 ATOM 31 O TRP 4 4.212 3.907 7.820 1.00 0.00 ATOM 32 C TRP 4 5.385 3.752 7.479 1.00 0.00 ATOM 33 N TYR 5 5.884 2.569 7.132 1.00 0.00 ATOM 34 CA TYR 5 5.061 1.382 7.138 1.00 0.00 ATOM 35 CB TYR 5 5.536 0.447 6.022 1.00 0.00 ATOM 36 CG TYR 5 5.530 1.079 4.648 1.00 0.00 ATOM 37 CD1 TYR 5 6.682 1.640 4.117 1.00 0.00 ATOM 38 CD2 TYR 5 4.371 1.113 3.886 1.00 0.00 ATOM 39 CE1 TYR 5 6.681 2.219 2.863 1.00 0.00 ATOM 40 CE2 TYR 5 4.359 1.689 2.632 1.00 0.00 ATOM 41 CZ TYR 5 5.517 2.241 2.122 1.00 0.00 ATOM 42 OH TYR 5 5.510 2.815 0.872 1.00 0.00 ATOM 43 O TYR 5 6.078 0.714 9.205 1.00 0.00 ATOM 44 C TYR 5 5.077 0.677 8.490 1.00 0.00 ATOM 45 N GLU 6 3.966 0.035 8.836 1.00 0.00 ATOM 46 CA GLU 6 3.869 -0.677 10.106 1.00 0.00 ATOM 47 CB GLU 6 3.104 0.179 11.118 1.00 0.00 ATOM 48 CG GLU 6 2.850 -0.507 12.454 1.00 0.00 ATOM 49 CD GLU 6 4.123 -0.658 13.241 1.00 0.00 ATOM 50 OE1 GLU 6 5.134 -0.172 12.796 1.00 0.00 ATOM 51 OE2 GLU 6 4.063 -1.160 14.338 1.00 0.00 ATOM 52 O GLU 6 2.173 -2.125 9.222 1.00 0.00 ATOM 53 C GLU 6 3.228 -2.037 9.853 1.00 0.00 ATOM 54 N LEU 7 3.873 -3.096 10.333 1.00 0.00 ATOM 55 CA LEU 7 3.357 -4.434 10.141 1.00 0.00 ATOM 56 CB LEU 7 4.460 -5.376 9.616 1.00 0.00 ATOM 57 CG LEU 7 4.109 -6.869 9.602 1.00 0.00 ATOM 58 CD1 LEU 7 2.907 -7.141 8.718 1.00 0.00 ATOM 59 CD2 LEU 7 5.288 -7.668 9.119 1.00 0.00 ATOM 60 O LEU 7 3.701 -4.946 12.460 1.00 0.00 ATOM 61 C LEU 7 2.933 -4.989 11.497 1.00 0.00 ATOM 62 N SER 8 1.713 -5.509 11.571 1.00 0.00 ATOM 63 CA SER 8 1.222 -6.056 12.795 1.00 0.00 ATOM 64 CB SER 8 0.491 -4.968 13.558 1.00 0.00 ATOM 65 OG SER 8 -0.676 -4.559 12.901 1.00 0.00 ATOM 66 O SER 8 0.004 -7.697 11.522 1.00 0.00 ATOM 67 C SER 8 0.293 -7.269 12.640 1.00 0.00 ATOM 68 N LYS 9 -0.170 -7.814 13.761 1.00 0.00 ATOM 69 CA LYS 9 -1.060 -8.968 13.730 1.00 0.00 ATOM 70 CB LYS 9 -0.440 -10.165 14.452 1.00 0.00 ATOM 71 CG LYS 9 -1.341 -11.389 14.528 1.00 0.00 ATOM 72 CD LYS 9 -0.558 -12.629 14.938 1.00 0.00 ATOM 73 CE LYS 9 -0.173 -12.577 16.410 1.00 0.00 ATOM 74 NZ LYS 9 0.552 -13.804 16.838 1.00 0.00 ATOM 75 O LYS 9 -2.571 -7.993 15.317 1.00 0.00 ATOM 76 C LYS 9 -2.445 -8.652 14.285 1.00 0.00 ATOM 77 N SER 10 -3.483 -9.124 13.600 1.00 0.00 ATOM 78 CA SER 10 -4.896 -8.884 14.045 1.00 0.00 ATOM 79 CB SER 10 -5.840 -8.768 12.864 1.00 0.00 ATOM 80 OG SER 10 -5.983 -9.985 12.184 1.00 0.00 ATOM 81 O SER 10 -4.737 -11.065 15.064 1.00 0.00 ATOM 82 C SER 10 -5.428 -10.060 14.890 1.00 0.00 ATOM 83 N SER 11 -6.646 -9.925 15.406 1.00 0.00 ATOM 84 CA SER 11 -7.244 -10.979 16.218 1.00 0.00 ATOM 85 CB SER 11 -8.581 -10.493 16.741 1.00 0.00 ATOM 86 OG SER 11 -9.521 -10.331 15.714 1.00 0.00 ATOM 87 O SER 11 -7.467 -13.366 16.141 1.00 0.00 ATOM 88 C SER 11 -7.439 -12.311 15.504 1.00 0.00 ATOM 89 N ASN 12 -7.574 -12.264 14.183 1.00 0.00 ATOM 90 CA ASN 12 -7.755 -13.439 13.443 1.00 0.00 ATOM 91 CB ASN 12 -8.658 -13.243 12.223 1.00 0.00 ATOM 92 CG ASN 12 -8.114 -12.291 11.216 1.00 0.00 ATOM 93 ND2 ASN 12 -8.825 -12.146 10.089 1.00 0.00 ATOM 94 OD1 ASN 12 -7.055 -11.696 11.418 1.00 0.00 ATOM 95 O ASN 12 -6.402 -14.961 12.167 1.00 0.00 ATOM 96 C ASN 12 -6.437 -14.117 13.064 1.00 0.00 ATOM 97 N ASP 13 -5.359 -13.749 13.749 1.00 0.00 ATOM 98 CA ASP 13 -4.052 -14.333 13.473 1.00 0.00 ATOM 99 CB ASP 13 -4.228 -15.853 13.497 1.00 0.00 ATOM 100 CG ASP 13 -4.503 -16.432 14.880 1.00 0.00 ATOM 101 OD1 ASP 13 -4.277 -15.744 15.847 1.00 0.00 ATOM 102 OD2 ASP 13 -5.082 -17.489 14.954 1.00 0.00 ATOM 103 O ASP 13 -2.570 -14.691 11.620 1.00 0.00 ATOM 104 C ASP 13 -3.469 -14.002 12.103 1.00 0.00 ATOM 105 N GLN 14 -3.983 -12.946 11.480 1.00 0.00 ATOM 106 CA GLN 14 -3.500 -12.536 10.165 1.00 0.00 ATOM 107 CB GLN 14 -4.680 -12.082 9.299 1.00 0.00 ATOM 108 CG GLN 14 -5.690 -13.177 9.000 1.00 0.00 ATOM 109 CD GLN 14 -5.085 -14.322 8.211 1.00 0.00 ATOM 110 OE1 GLN 14 -4.481 -14.116 7.156 1.00 0.00 ATOM 111 NE2 GLN 14 -5.248 -15.540 8.717 1.00 0.00 ATOM 112 O GLN 14 -2.670 -10.551 11.226 1.00 0.00 ATOM 113 C GLN 14 -2.546 -11.354 10.300 1.00 0.00 ATOM 114 N PHE 15 -1.597 -11.248 9.377 1.00 0.00 ATOM 115 CA PHE 15 -0.626 -10.151 9.404 1.00 0.00 ATOM 116 CB PHE 15 0.782 -10.651 9.079 1.00 0.00 ATOM 117 CG PHE 15 1.387 -11.505 10.158 1.00 0.00 ATOM 118 CD1 PHE 15 1.289 -12.887 10.103 1.00 0.00 ATOM 119 CD2 PHE 15 2.053 -10.928 11.227 1.00 0.00 ATOM 120 CE1 PHE 15 1.845 -13.674 11.094 1.00 0.00 ATOM 121 CE2 PHE 15 2.610 -11.713 12.219 1.00 0.00 ATOM 122 CZ PHE 15 2.505 -13.087 12.153 1.00 0.00 ATOM 123 O PHE 15 -1.736 -9.342 7.426 1.00 0.00 ATOM 124 C PHE 15 -1.124 -9.050 8.454 1.00 0.00 ATOM 125 N LYS 16 -0.858 -7.795 8.803 1.00 0.00 ATOM 126 CA LYS 16 -1.281 -6.674 7.972 1.00 0.00 ATOM 127 CB LYS 16 -2.641 -6.237 8.453 1.00 0.00 ATOM 128 CG LYS 16 -2.742 -4.959 9.241 1.00 0.00 ATOM 129 CD LYS 16 -4.169 -4.417 9.240 1.00 0.00 ATOM 130 CE LYS 16 -5.233 -5.516 9.253 1.00 0.00 ATOM 131 NZ LYS 16 -6.418 -5.185 10.079 1.00 0.00 ATOM 132 O LYS 16 0.436 -5.427 9.071 1.00 0.00 ATOM 133 C LYS 16 -0.366 -5.482 8.137 1.00 0.00 ATOM 134 N PHE 17 -0.479 -4.519 7.228 1.00 0.00 ATOM 135 CA PHE 17 0.350 -3.321 7.287 1.00 0.00 ATOM 136 CB PHE 17 1.417 -3.316 6.190 1.00 0.00 ATOM 137 CG PHE 17 0.856 -3.206 4.801 1.00 0.00 ATOM 138 CD1 PHE 17 0.703 -1.967 4.196 1.00 0.00 ATOM 139 CD2 PHE 17 0.481 -4.339 4.096 1.00 0.00 ATOM 140 CE1 PHE 17 0.187 -1.864 2.918 1.00 0.00 ATOM 141 CE2 PHE 17 -0.033 -4.239 2.818 1.00 0.00 ATOM 142 CZ PHE 17 -0.181 -2.999 2.229 1.00 0.00 ATOM 143 O PHE 17 -1.667 -2.052 7.005 1.00 0.00 ATOM 144 C PHE 17 -0.450 -2.026 7.199 1.00 0.00 ATOM 145 N VAL 18 0.232 -0.894 7.340 1.00 0.00 ATOM 146 CA VAL 18 -0.424 0.368 7.271 1.00 0.00 ATOM 147 CB VAL 18 -1.233 0.643 8.554 1.00 0.00 ATOM 148 CG1 VAL 18 -0.303 0.768 9.752 1.00 0.00 ATOM 149 CG2 VAL 18 -2.067 1.904 8.397 1.00 0.00 ATOM 150 O VAL 18 1.769 1.326 7.440 1.00 0.00 ATOM 151 C VAL 18 0.610 1.466 7.049 1.00 0.00 ATOM 152 N LEU 19 0.190 2.561 6.420 1.00 0.00 ATOM 153 CA LEU 19 1.085 3.658 6.162 1.00 0.00 ATOM 154 CB LEU 19 0.935 4.139 4.713 1.00 0.00 ATOM 155 CG LEU 19 1.804 5.345 4.333 1.00 0.00 ATOM 156 CD1 LEU 19 3.279 4.982 4.440 1.00 0.00 ATOM 157 CD2 LEU 19 1.461 5.794 2.920 1.00 0.00 ATOM 158 O LEU 19 -0.359 5.331 7.098 1.00 0.00 ATOM 159 C LEU 19 0.731 4.759 7.155 1.00 0.00 ATOM 160 N LYS 20 1.653 5.056 8.067 1.00 0.00 ATOM 161 CA LYS 20 1.419 6.077 9.045 1.00 0.00 ATOM 162 CB LYS 20 1.764 5.635 10.467 1.00 0.00 ATOM 163 CG LYS 20 0.893 4.506 11.004 1.00 0.00 ATOM 164 CD LYS 20 1.305 4.111 12.414 1.00 0.00 ATOM 165 CE LYS 20 0.417 3.004 12.961 1.00 0.00 ATOM 166 NZ LYS 20 0.786 2.633 14.355 1.00 0.00 ATOM 167 O LYS 20 3.233 7.255 8.007 1.00 0.00 ATOM 168 C LYS 20 2.194 7.333 8.665 1.00 0.00 ATOM 169 N ALA 21 1.690 8.491 9.080 1.00 0.00 ATOM 170 CA ALA 21 2.350 9.752 8.777 1.00 0.00 ATOM 171 CB ALA 21 1.346 10.684 8.114 1.00 0.00 ATOM 172 O ALA 21 2.799 9.779 11.122 1.00 0.00 ATOM 173 C ALA 21 2.849 10.380 10.056 1.00 0.00 ATOM 174 N GLY 22 3.240 11.604 10.046 1.00 0.00 ATOM 175 CA GLY 22 3.821 12.293 11.191 1.00 0.00 ATOM 176 O GLY 22 3.357 11.981 13.524 1.00 0.00 ATOM 177 C GLY 22 2.934 12.354 12.429 1.00 0.00 ATOM 178 N ASN 23 1.703 12.826 12.255 1.00 0.00 ATOM 179 CA ASN 23 0.758 12.928 13.377 1.00 0.00 ATOM 180 CB ASN 23 -0.282 14.017 13.184 1.00 0.00 ATOM 181 CG ASN 23 -1.150 14.247 14.390 1.00 0.00 ATOM 182 ND2 ASN 23 -2.358 14.682 14.142 1.00 0.00 ATOM 183 OD1 ASN 23 -0.756 13.963 15.526 1.00 0.00 ATOM 184 O ASN 23 -0.850 11.544 14.537 1.00 0.00 ATOM 185 C ASN 23 0.142 11.573 13.809 1.00 0.00 ATOM 186 N GLY 24 0.737 10.473 13.359 1.00 0.00 ATOM 187 CA GLY 24 0.240 9.148 13.710 1.00 0.00 ATOM 188 O GLY 24 -2.067 8.503 13.601 1.00 0.00 ATOM 189 C GLY 24 -1.109 9.007 13.015 1.00 0.00 ATOM 190 N GLU 25 -1.182 9.454 11.765 1.00 0.00 ATOM 191 CA GLU 25 -2.455 9.371 10.972 1.00 0.00 ATOM 192 CB GLU 25 -2.704 10.740 10.350 1.00 0.00 ATOM 193 CG GLU 25 -2.590 11.896 11.364 1.00 0.00 ATOM 194 CD GLU 25 -3.153 13.163 10.703 1.00 0.00 ATOM 195 OE1 GLU 25 -4.301 13.486 11.040 1.00 0.00 ATOM 196 OE2 GLU 25 -2.414 13.762 9.871 1.00 0.00 ATOM 197 O GLU 25 -1.264 8.214 9.240 1.00 0.00 ATOM 198 C GLU 25 -2.278 8.265 9.938 1.00 0.00 ATOM 199 N VAL 26 -3.266 7.380 9.838 1.00 0.00 ATOM 200 CA VAL 26 -3.204 6.285 8.881 1.00 0.00 ATOM 201 CB VAL 26 -4.105 5.115 9.320 1.00 0.00 ATOM 202 CG1 VAL 26 -4.121 4.026 8.257 1.00 0.00 ATOM 203 CG2 VAL 26 -3.637 4.549 10.650 1.00 0.00 ATOM 204 O VAL 26 -4.710 7.302 7.292 1.00 0.00 ATOM 205 C VAL 26 -3.612 6.773 7.474 1.00 0.00 ATOM 206 N ILE 27 -2.729 6.594 6.496 1.00 0.00 ATOM 207 CA ILE 27 -3.016 7.017 5.132 1.00 0.00 ATOM 208 CB ILE 27 -1.719 7.542 4.490 1.00 0.00 ATOM 209 CG1 ILE 27 -1.169 8.724 5.292 1.00 0.00 ATOM 210 CG2 ILE 27 -1.964 7.945 3.043 1.00 0.00 ATOM 211 CD1 ILE 27 -2.187 9.810 5.558 1.00 0.00 ATOM 212 O ILE 27 -4.589 5.961 3.635 1.00 0.00 ATOM 213 C ILE 27 -3.565 5.830 4.306 1.00 0.00 ATOM 214 N LEU 28 -2.881 4.692 4.365 1.00 0.00 ATOM 215 CA LEU 28 -3.315 3.512 3.627 1.00 0.00 ATOM 216 CB LEU 28 -2.418 3.324 2.422 1.00 0.00 ATOM 217 CG LEU 28 -2.214 4.569 1.563 1.00 0.00 ATOM 218 CD1 LEU 28 -1.391 4.239 0.322 1.00 0.00 ATOM 219 CD2 LEU 28 -3.564 5.164 1.198 1.00 0.00 ATOM 220 O LEU 28 -2.534 2.201 5.478 1.00 0.00 ATOM 221 C LEU 28 -3.315 2.282 4.529 1.00 0.00 ATOM 222 N THR 29 -4.189 1.327 4.231 1.00 0.00 ATOM 223 CA THR 29 -4.268 0.134 5.014 1.00 0.00 ATOM 224 CB THR 29 -5.609 -0.012 5.756 1.00 0.00 ATOM 225 CG2 THR 29 -5.807 1.138 6.731 1.00 0.00 ATOM 226 OG1 THR 29 -6.684 -0.020 4.807 1.00 0.00 ATOM 227 O THR 29 -4.426 -1.069 2.944 1.00 0.00 ATOM 228 C THR 29 -4.052 -1.081 4.117 1.00 0.00 ATOM 229 N SER 30 -3.447 -2.128 4.669 1.00 0.00 ATOM 230 CA SER 30 -3.198 -3.324 3.912 1.00 0.00 ATOM 231 CB SER 30 -2.598 -4.366 4.316 1.00 0.00 ATOM 232 OG SER 30 -2.548 -4.663 5.701 1.00 0.00 ATOM 233 O SER 30 -5.512 -3.908 3.965 1.00 0.00 ATOM 234 C SER 30 -4.348 -4.301 3.885 1.00 0.00 ATOM 235 N GLU 31 -4.027 -5.585 3.770 1.00 0.00 ATOM 236 CA GLU 31 -5.053 -6.621 3.736 1.00 0.00 ATOM 237 CB GLU 31 -5.296 -7.060 2.313 1.00 0.00 ATOM 238 CG GLU 31 -6.607 -6.558 1.782 1.00 0.00 ATOM 239 CD GLU 31 -7.828 -7.299 2.332 1.00 0.00 ATOM 240 OE1 GLU 31 -8.949 -6.999 1.847 1.00 0.00 ATOM 241 OE2 GLU 31 -7.694 -8.172 3.225 1.00 0.00 ATOM 242 O GLU 31 -3.380 -7.726 5.014 1.00 0.00 ATOM 243 C GLU 31 -4.531 -7.757 4.586 1.00 0.00 ATOM 244 N LEU 32 -5.357 -8.765 4.824 1.00 0.00 ATOM 245 CA LEU 32 -4.898 -9.888 5.621 1.00 0.00 ATOM 246 CB LEU 32 -6.078 -10.785 6.018 1.00 0.00 ATOM 247 CG LEU 32 -7.064 -10.162 7.016 1.00 0.00 ATOM 248 CD1 LEU 32 -8.251 -11.092 7.225 1.00 0.00 ATOM 249 CD2 LEU 32 -6.352 -9.890 8.332 1.00 0.00 ATOM 250 O LEU 32 -4.065 -11.159 3.752 1.00 0.00 ATOM 251 C LEU 32 -3.862 -10.771 4.904 1.00 0.00 ATOM 252 N TYR 33 -2.765 -11.083 5.587 1.00 0.00 ATOM 253 CA TYR 33 -1.722 -11.917 5.001 1.00 0.00 ATOM 254 CB TYR 33 -0.450 -11.077 4.870 1.00 0.00 ATOM 255 CG TYR 33 -0.524 -10.015 3.796 1.00 0.00 ATOM 256 CD1 TYR 33 -0.737 -8.683 4.122 1.00 0.00 ATOM 257 CD2 TYR 33 -0.378 -10.346 2.457 1.00 0.00 ATOM 258 CE1 TYR 33 -0.807 -7.709 3.146 1.00 0.00 ATOM 259 CE2 TYR 33 -0.445 -9.381 1.471 1.00 0.00 ATOM 260 CZ TYR 33 -0.658 -8.062 1.820 1.00 0.00 ATOM 261 OH TYR 33 -0.725 -7.097 0.841 1.00 0.00 ATOM 262 O TYR 33 -1.508 -13.078 7.114 1.00 0.00 ATOM 263 C TYR 33 -1.467 -13.152 5.881 1.00 0.00 ATOM 264 N THR 34 -1.195 -14.278 5.234 1.00 0.00 ATOM 265 CA THR 34 -0.991 -15.551 5.915 1.00 0.00 ATOM 266 CB THR 34 -1.471 -16.739 5.061 1.00 0.00 ATOM 267 CG2 THR 34 -2.973 -16.662 4.837 1.00 0.00 ATOM 268 OG1 THR 34 -0.802 -16.721 3.793 1.00 0.00 ATOM 269 O THR 34 0.747 -16.957 6.826 1.00 0.00 ATOM 270 C THR 34 0.431 -15.836 6.403 1.00 0.00 ATOM 271 N GLY 35 1.335 -14.879 6.247 1.00 0.00 ATOM 272 CA GLY 35 2.700 -14.994 6.714 1.00 0.00 ATOM 273 O GLY 35 3.092 -12.738 5.995 1.00 0.00 ATOM 274 C GLY 35 3.339 -13.614 6.826 1.00 0.00 ATOM 275 N LYS 36 4.161 -13.422 7.853 1.00 0.00 ATOM 276 CA LYS 36 4.799 -12.182 8.038 1.00 0.00 ATOM 277 CB LYS 36 5.820 -12.701 9.358 1.00 0.00 ATOM 278 CG LYS 36 5.186 -13.603 10.398 1.00 0.00 ATOM 279 CD LYS 36 6.246 -14.178 11.333 1.00 0.00 ATOM 280 CE LYS 36 5.604 -14.728 12.593 1.00 0.00 ATOM 281 NZ LYS 36 6.665 -15.272 13.493 1.00 0.00 ATOM 282 O LYS 36 5.997 -10.789 6.494 1.00 0.00 ATOM 283 C LYS 36 5.729 -11.936 6.853 1.00 0.00 ATOM 284 N SER 37 6.218 -13.014 6.249 1.00 0.00 ATOM 285 CA SER 37 7.103 -12.893 5.120 1.00 0.00 ATOM 286 CB SER 37 7.669 -14.247 4.737 1.00 0.00 ATOM 287 OG SER 37 8.537 -14.751 5.712 1.00 0.00 ATOM 288 O SER 37 6.929 -11.371 3.281 1.00 0.00 ATOM 289 C SER 37 6.399 -12.277 3.926 1.00 0.00 ATOM 290 N GLY 38 5.201 -12.767 3.628 1.00 0.00 ATOM 291 CA GLY 38 4.431 -12.249 2.503 1.00 0.00 ATOM 292 O GLY 38 4.134 -10.018 1.675 1.00 0.00 ATOM 293 C GLY 38 4.088 -10.771 2.648 1.00 0.00 ATOM 294 N ALA 39 3.745 -10.358 3.865 1.00 0.00 ATOM 295 CA ALA 39 3.400 -8.965 4.119 1.00 0.00 ATOM 296 CB ALA 39 2.847 -8.824 5.531 1.00 0.00 ATOM 297 O ALA 39 4.414 -6.954 3.402 1.00 0.00 ATOM 298 C ALA 39 4.543 -8.044 3.960 1.00 0.00 ATOM 299 N MET 40 5.703 -8.470 4.451 1.00 0.00 ATOM 300 CA MET 40 6.908 -7.656 4.355 1.00 0.00 ATOM 301 CB MET 40 8.057 -8.159 5.262 1.00 0.00 ATOM 302 CG MET 40 9.313 -7.242 5.174 1.00 0.00 ATOM 303 SD MET 40 8.887 -5.493 5.646 1.00 0.00 ATOM 304 CE MET 40 8.841 -5.966 7.236 1.00 0.00 ATOM 305 O MET 40 7.700 -6.320 2.527 1.00 0.00 ATOM 306 C MET 40 7.271 -7.414 2.894 1.00 0.00 ATOM 307 N ASN 41 7.098 -8.436 2.061 1.00 0.00 ATOM 308 CA ASN 41 7.412 -8.320 0.626 1.00 0.00 ATOM 309 CB ASN 41 7.323 -9.671 -0.058 1.00 0.00 ATOM 310 CG ASN 41 8.432 -10.615 0.322 1.00 0.00 ATOM 311 ND2 ASN 41 8.220 -11.876 0.043 1.00 0.00 ATOM 312 OD1 ASN 41 9.496 -10.197 0.793 1.00 0.00 ATOM 313 O ASN 41 6.960 -6.484 -0.866 1.00 0.00 ATOM 314 C ASN 41 6.500 -7.281 -0.048 1.00 0.00 ATOM 315 N GLY 42 5.217 -7.298 0.300 1.00 0.00 ATOM 316 CA GLY 42 4.265 -6.354 -0.275 1.00 0.00 ATOM 317 O GLY 42 4.657 -4.036 -0.785 1.00 0.00 ATOM 318 C GLY 42 4.658 -4.914 0.079 1.00 0.00 ATOM 319 N ILE 43 4.992 -4.681 1.344 1.00 0.00 ATOM 320 CA ILE 43 5.385 -3.348 1.788 1.00 0.00 ATOM 321 CB ILE 43 5.606 -3.302 3.311 1.00 0.00 ATOM 322 CG1 ILE 43 4.281 -3.503 4.049 1.00 0.00 ATOM 323 CG2 ILE 43 6.249 -1.985 3.715 1.00 0.00 ATOM 324 CD1 ILE 43 4.438 -3.737 5.535 1.00 0.00 ATOM 325 O ILE 43 6.822 -1.729 0.755 1.00 0.00 ATOM 326 C ILE 43 6.667 -2.904 1.092 1.00 0.00 ATOM 327 N GLU 44 7.582 -3.842 0.875 1.00 0.00 ATOM 328 CA GLU 44 8.853 -3.531 0.210 1.00 0.00 ATOM 329 CB GLU 44 9.824 -4.714 0.198 1.00 0.00 ATOM 330 CG GLU 44 10.425 -5.049 1.557 1.00 0.00 ATOM 331 CD GLU 44 11.276 -6.286 1.487 1.00 0.00 ATOM 332 OE1 GLU 44 11.331 -6.888 0.443 1.00 0.00 ATOM 333 OE2 GLU 44 11.959 -6.565 2.445 1.00 0.00 ATOM 334 O GLU 44 9.109 -2.097 -1.642 1.00 0.00 ATOM 335 C GLU 44 8.532 -3.064 -1.142 1.00 0.00 ATOM 336 N SER 45 7.587 -3.749 -1.779 1.00 0.00 ATOM 337 CA SER 45 7.172 -3.387 -3.130 1.00 0.00 ATOM 338 CB SER 45 6.178 -4.424 -3.614 1.00 0.00 ATOM 339 OG SER 45 6.772 -5.680 -3.792 1.00 0.00 ATOM 340 O SER 45 6.806 -1.196 -4.058 1.00 0.00 ATOM 341 C SER 45 6.574 -1.971 -3.130 1.00 0.00 ATOM 342 N VAL 46 5.813 -1.645 -2.091 1.00 0.00 ATOM 343 CA VAL 46 5.197 -0.328 -1.989 1.00 0.00 ATOM 344 CB VAL 46 4.187 -0.300 -0.792 1.00 0.00 ATOM 345 CG1 VAL 46 3.609 1.111 -0.618 1.00 0.00 ATOM 346 CG2 VAL 46 3.064 -1.291 -1.038 1.00 0.00 ATOM 347 O VAL 46 6.160 1.803 -2.531 1.00 0.00 ATOM 348 C VAL 46 6.278 0.746 -1.908 1.00 0.00 ATOM 349 N GLN 47 7.329 0.475 -1.141 1.00 0.00 ATOM 350 CA GLN 47 8.424 1.429 -0.993 1.00 0.00 ATOM 351 CB GLN 47 9.507 0.880 -0.063 1.00 0.00 ATOM 352 CG GLN 47 10.617 1.872 0.239 1.00 0.00 ATOM 353 CD GLN 47 10.095 3.152 0.867 1.00 0.00 ATOM 354 OE1 GLN 47 9.467 3.127 1.927 1.00 0.00 ATOM 355 NE2 GLN 47 10.354 4.280 0.214 1.00 0.00 ATOM 356 O GLN 47 9.261 2.791 -2.781 1.00 0.00 ATOM 357 C GLN 47 8.982 1.656 -2.393 1.00 0.00 ATOM 358 N THR 48 9.142 0.576 -3.151 1.00 0.00 ATOM 359 CA THR 48 9.662 0.679 -4.497 1.00 0.00 ATOM 360 CB THR 48 10.278 -0.668 -4.921 1.00 0.00 ATOM 361 CG2 THR 48 11.409 -1.058 -3.981 1.00 0.00 ATOM 362 OG1 THR 48 9.268 -1.687 -4.895 1.00 0.00 ATOM 363 O THR 48 8.969 1.380 -6.675 1.00 0.00 ATOM 364 C THR 48 8.641 1.146 -5.511 1.00 0.00 ATOM 365 N ASN 49 7.394 1.283 -5.071 1.00 0.00 ATOM 366 CA ASN 49 6.326 1.731 -5.958 1.00 0.00 ATOM 367 CB ASN 49 5.008 1.062 -5.612 1.00 0.00 ATOM 368 CG ASN 49 5.003 -0.424 -5.841 1.00 0.00 ATOM 369 ND2 ASN 49 4.100 -1.095 -5.175 1.00 0.00 ATOM 370 OD1 ASN 49 5.761 -0.946 -6.668 1.00 0.00 ATOM 371 O ASN 49 6.850 3.928 -5.149 1.00 0.00 ATOM 372 C ASN 49 6.310 3.254 -6.027 1.00 0.00 ATOM 373 N SER 50 5.691 3.795 -7.072 1.00 0.00 ATOM 374 CA SER 50 5.612 5.243 -7.240 1.00 0.00 ATOM 375 CB SER 50 6.561 5.679 -8.338 1.00 0.00 ATOM 376 OG SER 50 6.208 5.146 -9.584 1.00 0.00 ATOM 377 O SER 50 3.337 4.724 -7.741 1.00 0.00 ATOM 378 C SER 50 4.173 5.609 -7.583 1.00 0.00 ATOM 379 N PRO 51 3.873 6.905 -7.702 1.00 0.00 ATOM 380 CA PRO 51 2.508 7.329 -8.027 1.00 0.00 ATOM 381 CB PRO 51 2.633 8.853 -8.147 1.00 0.00 ATOM 382 CG PRO 51 3.816 9.173 -7.304 1.00 0.00 ATOM 383 CD PRO 51 4.772 8.068 -7.609 1.00 0.00 ATOM 384 O PRO 51 0.823 6.605 -9.574 1.00 0.00 ATOM 385 C PRO 51 2.024 6.774 -9.362 1.00 0.00 ATOM 386 N ILE 52 2.962 6.490 -10.261 1.00 0.00 ATOM 387 CA ILE 52 2.614 5.951 -11.573 1.00 0.00 ATOM 388 CB ILE 52 3.855 6.257 -12.513 1.00 0.00 ATOM 389 CG1 ILE 52 3.466 6.050 -13.984 1.00 0.00 ATOM 390 CG2 ILE 52 5.036 5.382 -12.102 1.00 0.00 ATOM 391 CD1 ILE 52 2.380 7.060 -14.446 1.00 0.00 ATOM 392 O ILE 52 1.452 4.059 -12.498 1.00 0.00 ATOM 393 C ILE 52 2.105 4.505 -11.553 1.00 0.00 ATOM 394 N GLU 53 2.405 3.782 -10.479 1.00 0.00 ATOM 395 CA GLU 53 1.968 2.396 -10.354 1.00 0.00 ATOM 396 CB GLU 53 2.635 1.411 -9.814 1.00 0.00 ATOM 397 CG GLU 53 3.495 0.806 -10.908 1.00 0.00 ATOM 398 CD GLU 53 4.151 -0.486 -10.487 1.00 0.00 ATOM 399 OE1 GLU 53 3.508 -1.273 -9.753 1.00 0.00 ATOM 400 OE2 GLU 53 5.307 -0.720 -10.905 1.00 0.00 ATOM 401 O GLU 53 -0.176 2.904 -9.407 1.00 0.00 ATOM 402 C GLU 53 0.447 2.320 -10.294 1.00 0.00 ATOM 403 N ALA 54 -0.149 1.597 -11.237 1.00 0.00 ATOM 404 CA ALA 54 -1.616 1.449 -11.280 1.00 0.00 ATOM 405 CB ALA 54 -1.978 0.719 -12.565 1.00 0.00 ATOM 406 O ALA 54 -3.083 1.183 -9.399 1.00 0.00 ATOM 407 C ALA 54 -2.115 0.745 -10.023 1.00 0.00 ATOM 408 N ARG 55 -1.454 -0.347 -9.651 1.00 0.00 ATOM 409 CA ARG 55 -1.842 -1.098 -8.464 1.00 0.00 ATOM 410 CB ARG 55 -1.038 -2.411 -8.364 1.00 0.00 ATOM 411 CG ARG 55 -1.336 -3.418 -9.471 1.00 0.00 ATOM 412 CD ARG 55 -0.554 -4.705 -9.264 1.00 0.00 ATOM 413 NE ARG 55 -0.924 -5.372 -8.020 1.00 0.00 ATOM 414 CZ ARG 55 -0.154 -6.253 -7.387 1.00 0.00 ATOM 415 NH1 ARG 55 1.035 -6.577 -7.881 1.00 0.00 ATOM 416 NH2 ARG 55 -0.567 -6.805 -6.254 1.00 0.00 ATOM 417 O ARG 55 -2.474 -0.348 -6.277 1.00 0.00 ATOM 418 C ARG 55 -1.675 -0.253 -7.210 1.00 0.00 ATOM 419 N TYR 56 -0.636 0.577 -7.187 1.00 0.00 ATOM 420 CA TYR 56 -0.380 1.436 -6.036 1.00 0.00 ATOM 421 CB TYR 56 0.671 2.603 -6.610 1.00 0.00 ATOM 422 CG TYR 56 1.500 3.392 -5.621 1.00 0.00 ATOM 423 CD1 TYR 56 1.189 4.717 -5.341 1.00 0.00 ATOM 424 CD2 TYR 56 2.591 2.824 -4.969 1.00 0.00 ATOM 425 CE1 TYR 56 1.934 5.457 -4.444 1.00 0.00 ATOM 426 CE2 TYR 56 3.336 3.564 -4.074 1.00 0.00 ATOM 427 CZ TYR 56 3.006 4.873 -3.809 1.00 0.00 ATOM 428 OH TYR 56 3.761 5.602 -2.913 1.00 0.00 ATOM 429 O TYR 56 -2.090 2.560 -4.787 1.00 0.00 ATOM 430 C TYR 56 -1.528 2.423 -5.875 1.00 0.00 ATOM 431 N ALA 57 -1.878 3.110 -6.958 1.00 0.00 ATOM 432 CA ALA 57 -2.966 4.081 -6.918 1.00 0.00 ATOM 433 CB ALA 57 -2.916 4.592 -8.576 1.00 0.00 ATOM 434 O ALA 57 -5.250 4.172 -6.200 1.00 0.00 ATOM 435 C ALA 57 -4.333 3.476 -6.636 1.00 0.00 ATOM 436 N LYS 58 -4.469 2.177 -6.885 1.00 0.00 ATOM 437 CA LYS 58 -5.735 1.491 -6.650 1.00 0.00 ATOM 438 CB LYS 58 -5.854 0.312 -7.618 1.00 0.00 ATOM 439 CG LYS 58 -5.941 0.709 -9.085 1.00 0.00 ATOM 440 CD LYS 58 -6.129 -0.510 -9.978 1.00 0.00 ATOM 441 CE LYS 58 -6.188 -0.117 -11.445 1.00 0.00 ATOM 442 NZ LYS 58 -6.207 -1.307 -12.339 1.00 0.00 ATOM 443 O LYS 58 -6.886 1.217 -4.564 1.00 0.00 ATOM 444 C LYS 58 -5.861 1.003 -5.213 1.00 0.00 ATOM 445 N GLU 59 -4.817 0.346 -4.715 1.00 0.00 ATOM 446 CA GLU 59 -4.826 -0.165 -3.350 1.00 0.00 ATOM 447 CB GLU 59 -3.689 -1.164 -3.115 1.00 0.00 ATOM 448 CG GLU 59 -3.927 -2.521 -3.799 1.00 0.00 ATOM 449 CD GLU 59 -2.847 -3.552 -3.494 1.00 0.00 ATOM 450 OE1 GLU 59 -2.245 -3.498 -2.399 1.00 0.00 ATOM 451 OE2 GLU 59 -2.611 -4.430 -4.352 1.00 0.00 ATOM 452 O GLU 59 -5.404 0.727 -1.199 1.00 0.00 ATOM 453 C GLU 59 -4.884 0.935 -2.295 1.00 0.00 ATOM 454 N VAL 60 -4.350 2.106 -2.629 1.00 0.00 ATOM 455 CA VAL 60 -4.352 3.226 -1.700 1.00 0.00 ATOM 456 CB VAL 60 -3.246 4.282 -1.981 1.00 0.00 ATOM 457 CG1 VAL 60 -1.867 3.599 -1.799 1.00 0.00 ATOM 458 CG2 VAL 60 -3.374 4.890 -3.392 1.00 0.00 ATOM 459 O VAL 60 -5.947 4.830 -0.906 1.00 0.00 ATOM 460 C VAL 60 -5.641 4.032 -1.794 1.00 0.00 ATOM 461 N ALA 61 -6.394 3.823 -2.868 1.00 0.00 ATOM 462 CA ALA 61 -7.651 4.538 -3.060 1.00 0.00 ATOM 463 CB ALA 61 -8.055 4.524 -4.504 1.00 0.00 ATOM 464 O ALA 61 -8.831 2.609 -2.298 1.00 0.00 ATOM 465 C ALA 61 -8.781 3.834 -2.335 1.00 0.00 ATOM 466 N LYS 62 -9.693 4.583 -1.778 1.00 0.00 ATOM 467 CA LYS 62 -10.863 4.044 -1.114 1.00 0.00 ATOM 468 CB LYS 62 -10.967 4.298 0.391 1.00 0.00 ATOM 469 CG LYS 62 -9.880 3.627 1.220 1.00 0.00 ATOM 470 CD LYS 62 -9.966 2.111 1.125 1.00 0.00 ATOM 471 CE LYS 62 -9.030 1.440 2.119 1.00 0.00 ATOM 472 NZ LYS 62 -9.001 -0.037 1.945 1.00 0.00 ATOM 473 O LYS 62 -11.914 5.742 -2.439 1.00 0.00 ATOM 474 C LYS 62 -12.044 4.676 -1.837 1.00 0.00 ATOM 475 N ASN 63 -13.195 4.016 -1.778 1.00 0.00 ATOM 476 CA ASN 63 -14.394 4.528 -2.433 1.00 0.00 ATOM 477 CB ASN 63 -15.537 3.536 -2.318 1.00 0.00 ATOM 478 CG ASN 63 -15.392 2.338 -3.215 1.00 0.00 ATOM 479 ND2 ASN 63 -16.153 1.316 -2.918 1.00 0.00 ATOM 480 OD1 ASN 63 -14.656 2.367 -4.208 1.00 0.00 ATOM 481 O ASN 63 -14.689 5.989 -0.556 1.00 0.00 ATOM 482 C ASN 63 -14.774 5.849 -1.776 1.00 0.00 ATOM 483 N ASP 64 -15.150 6.826 -2.594 1.00 0.00 ATOM 484 CA ASP 64 -15.434 8.169 -2.102 1.00 0.00 ATOM 485 CB ASP 64 -16.703 8.170 -1.246 1.00 0.00 ATOM 486 CG ASP 64 -17.973 7.806 -2.004 1.00 0.00 ATOM 487 OD1 ASP 64 -18.218 8.393 -3.031 1.00 0.00 ATOM 488 OD2 ASP 64 -18.604 6.843 -1.636 1.00 0.00 ATOM 489 O ASP 64 -14.414 9.678 -0.541 1.00 0.00 ATOM 490 C ASP 64 -14.248 8.768 -1.353 1.00 0.00 ATOM 491 N LYS 65 -13.052 8.257 -1.630 1.00 0.00 ATOM 492 CA LYS 65 -11.852 8.754 -0.977 1.00 0.00 ATOM 493 CB LYS 65 -11.370 7.836 0.147 1.00 0.00 ATOM 494 CG LYS 65 -12.301 7.773 1.351 1.00 0.00 ATOM 495 CD LYS 65 -11.675 6.989 2.495 1.00 0.00 ATOM 496 CE LYS 65 -12.579 6.976 3.717 1.00 0.00 ATOM 497 NZ LYS 65 -12.098 6.022 4.754 1.00 0.00 ATOM 498 O LYS 65 -9.908 8.011 -2.173 1.00 0.00 ATOM 499 C LYS 65 -10.726 8.912 -1.990 1.00 0.00 ATOM 500 N PRO 66 -10.695 10.058 -2.631 1.00 0.00 ATOM 501 CA PRO 66 -9.696 10.391 -3.648 1.00 0.00 ATOM 502 CB PRO 66 -10.161 11.804 -4.124 1.00 0.00 ATOM 503 CG PRO 66 -11.614 11.817 -3.819 1.00 0.00 ATOM 504 CD PRO 66 -11.688 11.112 -2.479 1.00 0.00 ATOM 505 O PRO 66 -7.995 10.569 -1.966 1.00 0.00 ATOM 506 C PRO 66 -8.268 10.266 -3.128 1.00 0.00 ATOM 507 N TYR 67 -7.358 9.822 -3.988 1.00 0.00 ATOM 508 CA TYR 67 -5.966 9.668 -3.599 1.00 0.00 ATOM 509 CB TYR 67 -5.478 8.231 -3.801 1.00 0.00 ATOM 510 CG TYR 67 -5.527 7.763 -5.238 1.00 0.00 ATOM 511 CD1 TYR 67 -4.432 7.918 -6.076 1.00 0.00 ATOM 512 CD2 TYR 67 -6.668 7.164 -5.753 1.00 0.00 ATOM 513 CE1 TYR 67 -4.472 7.492 -7.390 1.00 0.00 ATOM 514 CE2 TYR 67 -6.718 6.734 -7.063 1.00 0.00 ATOM 515 CZ TYR 67 -5.619 6.900 -7.881 1.00 0.00 ATOM 516 OH TYR 67 -5.664 6.473 -9.187 1.00 0.00 ATOM 517 O TYR 67 -5.353 10.886 -5.571 1.00 0.00 ATOM 518 C TYR 67 -5.101 10.639 -4.391 1.00 0.00 ATOM 519 N PHE 68 -4.078 11.189 -3.742 1.00 0.00 ATOM 520 CA PHE 68 -3.184 12.130 -4.402 1.00 0.00 ATOM 521 CB PHE 68 -3.066 13.352 -3.698 1.00 0.00 ATOM 522 CG PHE 68 -4.309 14.040 -4.118 1.00 0.00 ATOM 523 CD1 PHE 68 -4.582 14.190 -5.494 1.00 0.00 ATOM 524 CD2 PHE 68 -5.260 14.418 -3.175 1.00 0.00 ATOM 525 CE1 PHE 68 -5.791 14.750 -5.934 1.00 0.00 ATOM 526 CE2 PHE 68 -6.462 14.974 -3.581 1.00 0.00 ATOM 527 CZ PHE 68 -6.741 15.109 -4.989 1.00 0.00 ATOM 528 O PHE 68 -1.097 11.419 -3.460 1.00 0.00 ATOM 529 C PHE 68 -1.746 11.633 -4.483 1.00 0.00 ATOM 530 N ASN 69 -1.255 11.452 -5.702 1.00 0.00 ATOM 531 CA ASN 69 0.163 11.198 -5.929 1.00 0.00 ATOM 532 CB ASN 69 0.191 9.595 -6.388 1.00 0.00 ATOM 533 CG ASN 69 -0.185 9.449 -7.844 1.00 0.00 ATOM 534 ND2 ASN 69 -0.917 8.393 -8.197 1.00 0.00 ATOM 535 OD1 ASN 69 0.196 10.302 -8.664 1.00 0.00 ATOM 536 O ASN 69 0.826 13.203 -7.069 1.00 0.00 ATOM 537 C ASN 69 0.904 12.526 -6.045 1.00 0.00 ATOM 538 N LEU 70 1.621 12.891 -4.988 1.00 0.00 ATOM 539 CA LEU 70 2.203 14.222 -4.882 1.00 0.00 ATOM 540 CB LEU 70 1.697 14.957 -3.635 1.00 0.00 ATOM 541 CG LEU 70 0.177 15.144 -3.558 1.00 0.00 ATOM 542 CD1 LEU 70 -0.203 15.794 -2.236 1.00 0.00 ATOM 543 CD2 LEU 70 -0.292 15.993 -4.731 1.00 0.00 ATOM 544 O LEU 70 4.292 13.093 -4.541 1.00 0.00 ATOM 545 C LEU 70 3.726 14.143 -4.848 1.00 0.00 ATOM 546 N LYS 71 4.386 15.253 -5.160 1.00 0.00 ATOM 547 CA LYS 71 5.839 15.291 -5.158 1.00 0.00 ATOM 548 CB LYS 71 6.485 14.725 -6.424 1.00 0.00 ATOM 549 CG LYS 71 8.004 14.631 -6.369 1.00 0.00 ATOM 550 CD LYS 71 8.561 13.950 -7.608 1.00 0.00 ATOM 551 CE LYS 71 10.083 13.913 -7.584 1.00 0.00 ATOM 552 NZ LYS 71 10.640 13.200 -8.764 1.00 0.00 ATOM 553 O LYS 71 5.818 17.656 -5.557 1.00 0.00 ATOM 554 C LYS 71 6.263 16.729 -4.879 1.00 0.00 ATOM 555 N ALA 72 7.124 16.912 -3.882 1.00 0.00 ATOM 556 CA ALA 72 7.599 18.245 -3.530 1.00 0.00 ATOM 557 CB ALA 72 7.049 18.571 -2.221 1.00 0.00 ATOM 558 O ALA 72 9.309 17.269 -2.163 1.00 0.00 ATOM 559 C ALA 72 9.000 18.173 -2.942 1.00 0.00 ATOM 560 N ALA 73 9.849 19.125 -3.312 1.00 0.00 ATOM 561 CA ALA 73 11.218 19.157 -2.808 1.00 0.00 ATOM 562 CB ALA 73 11.244 19.412 -1.309 1.00 0.00 ATOM 563 O ALA 73 12.685 17.332 -2.285 1.00 0.00 ATOM 564 C ALA 73 11.919 17.834 -3.107 1.00 0.00 ATOM 565 N ASN 74 11.656 17.276 -4.284 1.00 0.00 ATOM 566 CA ASN 74 12.261 16.047 -4.655 1.00 0.00 ATOM 567 CB ASN 74 13.768 16.191 -4.765 1.00 0.00 ATOM 568 CG ASN 74 14.210 17.088 -5.889 1.00 0.00 ATOM 569 ND2 ASN 74 15.406 17.604 -5.761 1.00 0.00 ATOM 570 OD1 ASN 74 13.507 17.252 -6.893 1.00 0.00 ATOM 571 O ASN 74 12.675 13.964 -3.544 1.00 0.00 ATOM 572 C ASN 74 11.888 14.892 -3.736 1.00 0.00 ATOM 573 N HIS 75 10.688 14.951 -3.167 1.00 0.00 ATOM 574 CA HIS 75 10.225 13.898 -2.270 1.00 0.00 ATOM 575 CB HIS 75 10.201 14.451 -0.842 1.00 0.00 ATOM 576 CG HIS 75 9.764 13.451 0.183 1.00 0.00 ATOM 577 CD2 HIS 75 8.615 13.345 0.893 1.00 0.00 ATOM 578 ND1 HIS 75 10.556 12.395 0.577 1.00 0.00 ATOM 579 CE1 HIS 75 9.916 11.682 1.489 1.00 0.00 ATOM 580 NE2 HIS 75 8.736 12.238 1.695 1.00 0.00 ATOM 581 O HIS 75 7.913 14.112 -2.874 1.00 0.00 ATOM 582 C HIS 75 8.851 13.349 -2.639 1.00 0.00 ATOM 583 N GLN 76 8.733 12.026 -2.689 1.00 0.00 ATOM 584 CA GLN 76 7.467 11.395 -3.028 1.00 0.00 ATOM 585 CB GLN 76 7.678 9.920 -3.421 1.00 0.00 ATOM 586 CG GLN 76 6.470 9.331 -4.141 1.00 0.00 ATOM 587 CD GLN 76 6.633 7.899 -4.521 1.00 0.00 ATOM 588 OE1 GLN 76 7.766 7.436 -4.737 1.00 0.00 ATOM 589 NE2 GLN 76 5.488 7.160 -4.605 1.00 0.00 ATOM 590 O GLN 76 6.826 11.339 -0.718 1.00 0.00 ATOM 591 C GLN 76 6.486 11.579 -1.875 1.00 0.00 ATOM 592 N ILE 77 5.279 12.023 -2.199 1.00 0.00 ATOM 593 CA ILE 77 4.284 12.351 -1.181 1.00 0.00 ATOM 594 CB ILE 77 3.889 13.842 -1.180 1.00 0.00 ATOM 595 CG1 ILE 77 5.127 14.694 -0.849 1.00 0.00 ATOM 596 CG2 ILE 77 2.733 14.055 -0.221 1.00 0.00 ATOM 597 CD1 ILE 77 4.847 16.185 -0.666 1.00 0.00 ATOM 598 O ILE 77 2.490 11.591 -2.580 1.00 0.00 ATOM 599 C ILE 77 2.965 11.637 -1.444 1.00 0.00 ATOM 600 N ILE 78 2.370 11.081 -0.393 1.00 0.00 ATOM 601 CA ILE 78 1.102 10.374 -0.528 1.00 0.00 ATOM 602 CB ILE 78 1.259 8.858 -0.141 1.00 0.00 ATOM 603 CG1 ILE 78 2.517 8.256 -0.782 1.00 0.00 ATOM 604 CG2 ILE 78 0.005 8.052 -0.519 1.00 0.00 ATOM 605 CD1 ILE 78 2.567 8.325 -2.311 1.00 0.00 ATOM 606 O ILE 78 0.086 11.264 1.455 1.00 0.00 ATOM 607 C ILE 78 0.009 11.115 0.235 1.00 0.00 ATOM 608 N GLY 79 -1.008 11.579 -0.485 1.00 0.00 ATOM 609 CA GLY 79 -2.108 12.300 0.139 1.00 0.00 ATOM 610 O GLY 79 -3.634 10.920 -1.096 1.00 0.00 ATOM 611 C GLY 79 -3.410 11.527 -0.048 1.00 0.00 ATOM 612 N THR 80 -4.266 11.552 0.969 1.00 0.00 ATOM 613 CA THR 80 -5.535 10.853 0.897 1.00 0.00 ATOM 614 CB THR 80 -5.620 9.642 1.842 1.00 0.00 ATOM 615 CG2 THR 80 -6.991 8.992 1.759 1.00 0.00 ATOM 616 OG1 THR 80 -4.618 8.681 1.483 1.00 0.00 ATOM 617 O THR 80 -6.325 12.814 2.031 1.00 0.00 ATOM 618 C THR 80 -6.559 11.944 1.192 1.00 0.00 ATOM 619 N SER 81 -7.695 11.895 0.502 1.00 0.00 ATOM 620 CA SER 81 -8.718 12.869 0.707 1.00 0.00 ATOM 621 CB SER 81 -8.692 13.942 -0.362 1.00 0.00 ATOM 622 OG SER 81 -8.748 13.402 -1.671 1.00 0.00 ATOM 623 O SER 81 -10.111 10.949 0.347 1.00 0.00 ATOM 624 C SER 81 -10.060 12.152 0.614 1.00 0.00 ATOM 625 N GLN 82 -10.998 13.103 0.816 1.00 0.00 ATOM 626 CA GLN 82 -12.338 12.535 0.763 1.00 0.00 ATOM 627 CB GLN 82 -13.131 12.834 2.038 1.00 0.00 ATOM 628 CG GLN 82 -12.509 12.361 3.359 1.00 0.00 ATOM 629 CD GLN 82 -13.083 13.112 4.570 1.00 0.00 ATOM 630 OE1 GLN 82 -12.791 14.301 4.787 1.00 0.00 ATOM 631 NE2 GLN 82 -13.904 12.418 5.363 1.00 0.00 ATOM 632 O GLN 82 -12.908 14.371 -0.671 1.00 0.00 ATOM 633 C GLN 82 -13.156 13.215 -0.327 1.00 0.00 ATOM 634 N MET 83 -14.127 12.492 -0.869 1.00 0.00 ATOM 635 CA MET 83 -15.038 13.047 -1.862 1.00 0.00 ATOM 636 CB MET 83 -15.563 11.877 -2.751 1.00 0.00 ATOM 637 CG MET 83 -14.623 11.375 -3.765 1.00 0.00 ATOM 638 SD MET 83 -15.494 10.164 -4.760 1.00 0.00 ATOM 639 CE MET 83 -14.196 9.754 -5.878 1.00 0.00 ATOM 640 O MET 83 -16.459 14.979 -1.917 1.00 0.00 ATOM 641 C MET 83 -15.860 14.160 -1.220 1.00 0.00 ATOM 642 N TYR 84 -15.885 14.189 0.108 1.00 0.00 ATOM 643 CA TYR 84 -16.636 15.211 0.828 1.00 0.00 ATOM 644 CB TYR 84 -16.507 14.994 2.338 1.00 0.00 ATOM 645 CG TYR 84 -17.279 13.799 2.852 1.00 0.00 ATOM 646 CD1 TYR 84 -16.623 12.635 3.224 1.00 0.00 ATOM 647 CD2 TYR 84 -18.660 13.839 2.969 1.00 0.00 ATOM 648 CE1 TYR 84 -17.321 11.541 3.695 1.00 0.00 ATOM 649 CE2 TYR 84 -19.369 12.751 3.438 1.00 0.00 ATOM 650 CZ TYR 84 -18.695 11.602 3.801 1.00 0.00 ATOM 651 OH TYR 84 -19.397 10.516 4.271 1.00 0.00 ATOM 652 O TYR 84 -17.006 17.537 0.384 1.00 0.00 ATOM 653 C TYR 84 -16.199 16.606 0.406 1.00 0.00 ATOM 654 N SER 85 -14.921 16.753 0.070 1.00 0.00 ATOM 655 CA SER 85 -14.394 18.045 -0.353 1.00 0.00 ATOM 656 CB SER 85 -12.979 18.199 0.166 1.00 0.00 ATOM 657 OG SER 85 -12.110 17.243 -0.377 1.00 0.00 ATOM 658 O SER 85 -14.416 17.134 -2.575 1.00 0.00 ATOM 659 C SER 85 -14.399 18.144 -1.873 1.00 0.00 ATOM 660 N SER 86 -14.382 19.375 -2.380 1.00 0.00 ATOM 661 CA SER 86 -14.438 19.614 -3.816 1.00 0.00 ATOM 662 CB SER 86 -14.794 21.062 -4.088 1.00 0.00 ATOM 663 OG SER 86 -13.772 21.936 -3.700 1.00 0.00 ATOM 664 O SER 86 -12.097 19.096 -3.844 1.00 0.00 ATOM 665 C SER 86 -13.127 19.254 -4.499 1.00 0.00 ATOM 666 N THR 87 -13.167 19.127 -5.821 1.00 0.00 ATOM 667 CA THR 87 -11.968 18.852 -6.605 1.00 0.00 ATOM 668 CB THR 87 -12.299 18.672 -8.098 1.00 0.00 ATOM 669 CG2 THR 87 -11.029 18.436 -8.901 1.00 0.00 ATOM 670 OG1 THR 87 -13.178 17.552 -8.265 1.00 0.00 ATOM 671 O THR 87 -9.743 19.713 -6.352 1.00 0.00 ATOM 672 C THR 87 -10.943 19.968 -6.451 1.00 0.00 ATOM 673 N ALA 88 -11.425 21.206 -6.431 1.00 0.00 ATOM 674 CA ALA 88 -10.559 22.359 -6.200 1.00 0.00 ATOM 675 CB ALA 88 -11.354 23.674 -6.358 1.00 0.00 ATOM 676 O ALA 88 -8.771 22.644 -4.620 1.00 0.00 ATOM 677 C ALA 88 -9.951 22.331 -4.799 1.00 0.00 ATOM 678 N ALA 89 -10.764 21.953 -3.817 1.00 0.00 ATOM 679 CA ALA 89 -10.302 21.791 -2.440 1.00 0.00 ATOM 680 CB ALA 89 -11.471 21.510 -1.507 1.00 0.00 ATOM 681 O ALA 89 -8.225 20.844 -1.701 1.00 0.00 ATOM 682 C ALA 89 -9.239 20.698 -2.383 1.00 0.00 ATOM 683 N ARG 90 -9.473 19.605 -3.103 1.00 0.00 ATOM 684 CA ARG 90 -8.525 18.499 -3.125 1.00 0.00 ATOM 685 CB ARG 90 -9.105 17.279 -3.828 1.00 0.00 ATOM 686 CG ARG 90 -10.208 16.564 -3.062 1.00 0.00 ATOM 687 CD ARG 90 -10.454 15.169 -3.507 1.00 0.00 ATOM 688 NE ARG 90 -10.963 15.051 -4.865 1.00 0.00 ATOM 689 CZ ARG 90 -12.266 15.116 -5.202 1.00 0.00 ATOM 690 NH1 ARG 90 -13.196 15.260 -4.286 1.00 0.00 ATOM 691 NH2 ARG 90 -12.586 15.006 -6.480 1.00 0.00 ATOM 692 O ARG 90 -6.100 18.658 -3.205 1.00 0.00 ATOM 693 C ARG 90 -7.163 18.983 -3.735 1.00 0.00 ATOM 694 N ASP 91 -7.223 19.743 -4.824 1.00 0.00 ATOM 695 CA ASP 91 -6.011 20.244 -5.462 1.00 0.00 ATOM 696 CB ASP 91 -6.378 20.906 -6.794 1.00 0.00 ATOM 697 CG ASP 91 -6.782 19.930 -7.891 1.00 0.00 ATOM 698 OD1 ASP 91 -6.560 18.754 -7.724 1.00 0.00 ATOM 699 OD2 ASP 91 -7.444 20.344 -8.811 1.00 0.00 ATOM 700 O ASP 91 -4.072 21.042 -4.297 1.00 0.00 ATOM 701 C ASP 91 -5.280 21.173 -4.499 1.00 0.00 ATOM 702 N ASN 92 -6.013 22.108 -3.904 1.00 0.00 ATOM 703 CA ASN 92 -5.419 23.045 -2.964 1.00 0.00 ATOM 704 CB ASN 92 -6.406 24.139 -2.598 1.00 0.00 ATOM 705 CG ASN 92 -6.665 25.118 -3.709 1.00 0.00 ATOM 706 ND2 ASN 92 -7.739 25.854 -3.577 1.00 0.00 ATOM 707 OD1 ASN 92 -5.862 25.257 -4.639 1.00 0.00 ATOM 708 O ASN 92 -3.792 22.790 -1.221 1.00 0.00 ATOM 709 C ASN 92 -4.825 22.364 -1.738 1.00 0.00 ATOM 710 N GLY 93 -5.478 21.302 -1.274 1.00 0.00 ATOM 711 CA GLY 93 -4.998 20.570 -0.108 1.00 0.00 ATOM 712 O GLY 93 -2.707 20.061 0.371 1.00 0.00 ATOM 713 C GLY 93 -3.650 19.934 -0.410 1.00 0.00 ATOM 714 N ILE 94 -3.559 19.247 -1.544 1.00 0.00 ATOM 715 CA ILE 94 -2.316 18.596 -1.936 1.00 0.00 ATOM 716 CB ILE 94 -2.491 17.590 -3.089 1.00 0.00 ATOM 717 CG1 ILE 94 -2.918 18.313 -4.370 1.00 0.00 ATOM 718 CG2 ILE 94 -3.509 16.524 -2.711 1.00 0.00 ATOM 719 CD1 ILE 94 -2.903 17.436 -5.599 1.00 0.00 ATOM 720 O ILE 94 -0.030 19.337 -2.098 1.00 0.00 ATOM 721 C ILE 94 -1.217 19.624 -2.252 1.00 0.00 ATOM 722 N LYS 95 -1.622 20.813 -2.689 1.00 0.00 ATOM 723 CA LYS 95 -0.663 21.863 -3.016 1.00 0.00 ATOM 724 CB LYS 95 -1.396 23.078 -3.567 1.00 0.00 ATOM 725 CG LYS 95 -1.879 22.826 -5.007 1.00 0.00 ATOM 726 CD LYS 95 -2.554 24.054 -5.588 1.00 0.00 ATOM 727 CE LYS 95 -3.438 23.772 -6.789 1.00 0.00 ATOM 728 NZ LYS 95 -4.491 24.811 -7.032 1.00 0.00 ATOM 729 O LYS 95 1.345 22.359 -1.784 1.00 0.00 ATOM 730 C LYS 95 0.115 22.269 -1.755 1.00 0.00 ATOM 731 N SER 96 -0.602 22.509 -0.683 1.00 0.00 ATOM 732 CA SER 96 0.043 22.874 0.581 1.00 0.00 ATOM 733 CB SER 96 -0.988 23.259 1.624 1.00 0.00 ATOM 734 OG SER 96 -1.779 22.169 2.011 1.00 0.00 ATOM 735 O SER 96 2.030 22.033 1.628 1.00 0.00 ATOM 736 C SER 96 0.973 21.763 1.057 1.00 0.00 ATOM 737 N VAL 97 0.580 20.516 0.821 1.00 0.00 ATOM 738 CA VAL 97 1.392 19.380 1.228 1.00 0.00 ATOM 739 CB VAL 97 0.607 18.073 1.000 1.00 0.00 ATOM 740 CG1 VAL 97 1.494 16.866 1.268 1.00 0.00 ATOM 741 CG2 VAL 97 -0.629 18.032 1.886 1.00 0.00 ATOM 742 O VAL 97 3.768 19.119 1.037 1.00 0.00 ATOM 743 C VAL 97 2.701 19.316 0.453 1.00 0.00 ATOM 744 N MET 98 2.621 19.484 -0.863 1.00 0.00 ATOM 745 CA MET 98 3.810 19.446 -1.704 1.00 0.00 ATOM 746 CB MET 98 3.411 19.395 -3.177 1.00 0.00 ATOM 747 CG MET 98 2.725 18.103 -3.600 1.00 0.00 ATOM 748 SD MET 98 2.493 17.991 -5.385 1.00 0.00 ATOM 749 CE MET 98 1.139 19.140 -5.621 1.00 0.00 ATOM 750 O MET 98 5.968 20.415 -1.298 1.00 0.00 ATOM 751 C MET 98 4.753 20.600 -1.377 1.00 0.00 ATOM 752 N GLU 99 4.191 21.790 -1.189 1.00 0.00 ATOM 753 CA GLU 99 4.996 22.961 -0.868 1.00 0.00 ATOM 754 CB GLU 99 4.128 24.222 -0.871 1.00 0.00 ATOM 755 CG GLU 99 3.641 24.646 -2.250 1.00 0.00 ATOM 756 CD GLU 99 2.699 25.815 -2.160 1.00 0.00 ATOM 757 OE1 GLU 99 2.388 26.220 -1.066 1.00 0.00 ATOM 758 OE2 GLU 99 2.376 26.372 -3.182 1.00 0.00 ATOM 759 O GLU 99 6.898 23.077 0.587 1.00 0.00 ATOM 760 C GLU 99 5.711 22.772 0.463 1.00 0.00 ATOM 761 N ASN 100 4.984 22.271 1.456 1.00 0.00 ATOM 762 CA ASN 100 5.578 21.936 2.748 1.00 0.00 ATOM 763 CB ASN 100 4.510 21.640 3.785 1.00 0.00 ATOM 764 CG ASN 100 3.742 22.856 4.227 1.00 0.00 ATOM 765 ND2 ASN 100 2.609 22.615 4.838 1.00 0.00 ATOM 766 OD1 ASN 100 4.203 23.993 4.084 1.00 0.00 ATOM 767 O ASN 100 7.468 20.660 3.490 1.00 0.00 ATOM 768 C ASN 100 6.547 20.763 2.679 1.00 0.00 ATOM 769 N GLY 101 6.341 19.878 1.707 1.00 0.00 ATOM 770 CA GLY 101 7.206 18.723 1.547 1.00 0.00 ATOM 771 O GLY 101 7.729 16.863 2.966 1.00 0.00 ATOM 772 C GLY 101 6.858 17.620 2.537 1.00 0.00 ATOM 773 N LYS 102 5.581 17.528 2.899 1.00 0.00 ATOM 774 CA LYS 102 5.134 16.507 3.839 1.00 0.00 ATOM 775 CB LYS 102 3.767 16.879 4.413 1.00 0.00 ATOM 776 CG LYS 102 3.807 17.963 5.483 1.00 0.00 ATOM 777 CD LYS 102 2.418 18.249 6.034 1.00 0.00 ATOM 778 CE LYS 102 2.451 19.364 7.068 1.00 0.00 ATOM 779 NZ LYS 102 1.100 19.652 7.619 1.00 0.00 ATOM 780 O LYS 102 4.615 14.959 2.081 1.00 0.00 ATOM 781 C LYS 102 5.060 15.119 3.218 1.00 0.00 ATOM 782 N THR 103 5.497 14.113 3.970 1.00 0.00 ATOM 783 CA THR 103 5.590 12.753 3.453 1.00 0.00 ATOM 784 CB THR 103 6.375 11.841 4.412 1.00 0.00 ATOM 785 CG2 THR 103 6.425 10.418 3.877 1.00 0.00 ATOM 786 OG1 THR 103 7.712 12.338 4.561 1.00 0.00 ATOM 787 O THR 103 3.912 11.668 2.124 1.00 0.00 ATOM 788 C THR 103 4.203 12.164 3.214 1.00 0.00 ATOM 789 N THR 104 3.346 12.232 4.226 1.00 0.00 ATOM 790 CA THR 104 1.989 11.718 4.103 1.00 0.00 ATOM 791 CB THR 104 1.856 10.320 4.734 1.00 0.00 ATOM 792 CG2 THR 104 2.564 9.278 3.879 1.00 0.00 ATOM 793 OG1 THR 104 2.432 10.327 6.046 1.00 0.00 ATOM 794 O THR 104 1.130 13.039 5.912 1.00 0.00 ATOM 795 C THR 104 0.974 12.650 4.754 1.00 0.00 ATOM 796 N THR 105 -0.068 13.007 4.009 1.00 0.00 ATOM 797 CA THR 105 -1.101 13.892 4.530 1.00 0.00 ATOM 798 CB THR 105 -0.956 15.336 4.013 1.00 0.00 ATOM 799 CG2 THR 105 -2.041 16.224 4.602 1.00 0.00 ATOM 800 OG1 THR 105 0.330 15.852 4.382 1.00 0.00 ATOM 801 O THR 105 -2.822 13.172 3.022 1.00 0.00 ATOM 802 C THR 105 -2.485 13.349 4.194 1.00 0.00 ATOM 803 N ILE 106 -3.285 13.084 5.221 1.00 0.00 ATOM 804 CA ILE 106 -4.627 12.564 5.017 1.00 0.00 ATOM 805 CB ILE 106 -4.822 11.209 5.720 1.00 0.00 ATOM 806 CG1 ILE 106 -6.225 10.661 5.442 1.00 0.00 ATOM 807 CG2 ILE 106 -4.588 11.348 7.216 1.00 0.00 ATOM 808 CD1 ILE 106 -6.347 9.168 5.650 1.00 0.00 ATOM 809 O ILE 106 -5.590 13.988 6.671 1.00 0.00 ATOM 810 C ILE 106 -5.631 13.575 5.510 1.00 0.00 ATOM 811 N LYS 107 -6.582 13.936 4.643 1.00 0.00 ATOM 812 CA LYS 107 -7.640 14.857 5.039 1.00 0.00 ATOM 813 CB LYS 107 -8.555 15.279 3.888 1.00 0.00 ATOM 814 CG LYS 107 -9.604 16.317 4.265 1.00 0.00 ATOM 815 CD LYS 107 -10.443 16.719 3.062 1.00 0.00 ATOM 816 CE LYS 107 -11.444 17.807 3.421 1.00 0.00 ATOM 817 NZ LYS 107 -12.478 17.320 4.374 1.00 0.00 ATOM 818 O LYS 107 -8.660 14.918 7.211 1.00 0.00 ATOM 819 C LYS 107 -8.454 14.267 6.186 1.00 0.00 ATOM 820 N ASP 108 -8.919 13.042 6.013 1.00 0.00 ATOM 821 CA ASP 108 -9.701 12.384 7.031 1.00 0.00 ATOM 822 CB ASP 108 -11.095 12.070 6.469 1.00 0.00 ATOM 823 CG ASP 108 -12.006 11.345 7.459 1.00 0.00 ATOM 824 OD1 ASP 108 -11.716 11.275 8.675 1.00 0.00 ATOM 825 OD2 ASP 108 -13.068 10.789 7.095 1.00 0.00 ATOM 826 O ASP 108 -9.127 10.061 6.956 1.00 0.00 ATOM 827 C ASP 108 -8.976 11.143 7.522 1.00 0.00 ATOM 828 N LEU 109 -8.187 11.300 8.580 1.00 0.00 ATOM 829 CA LEU 109 -7.443 10.178 9.141 1.00 0.00 ATOM 830 CB LEU 109 -6.591 10.583 10.327 1.00 0.00 ATOM 831 CG LEU 109 -5.918 9.406 11.044 1.00 0.00 ATOM 832 CD1 LEU 109 -4.906 8.718 10.132 1.00 0.00 ATOM 833 CD2 LEU 109 -5.244 9.870 12.325 1.00 0.00 ATOM 834 O LEU 109 -8.095 7.876 9.425 1.00 0.00 ATOM 835 C LEU 109 -8.388 9.058 9.610 1.00 0.00 ATOM 836 N THR 110 -9.508 9.462 10.211 1.00 0.00 ATOM 837 CA THR 110 -10.481 8.444 10.694 1.00 0.00 ATOM 838 CB THR 110 -11.664 9.147 11.366 1.00 0.00 ATOM 839 CG2 THR 110 -12.678 8.177 11.899 1.00 0.00 ATOM 840 OG1 THR 110 -11.150 9.937 12.479 1.00 0.00 ATOM 841 O THR 110 -11.442 8.212 8.518 1.00 0.00 ATOM 842 C THR 110 -10.993 7.642 9.504 1.00 0.00 TER END