PFRMAT TS TARGET T0354 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 10 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) 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 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 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 O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen METHOD We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. 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 methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). 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. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. 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 METHOD New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD Another new trick is to optimize models with gromacs to knock them out METHOD of a local minimum. The gromacs optimization does terrible things to METHOD the model (messing up sidechains and peptide planes), but is good at METHOD removing clashes. The resulting models are only a small distance from METHOD the pre-optimization models, but score much worse with the undertaker METHOD cost functions, so undertaker can move them more freely than models it METHOD has optimized itself. METHOD METHOD METHOD Our initial search found only small scraps of secondary or METHOD super-secondary structure, but we have put together some METHOD reasonable-looking alpha-beta models from these fragments. METHOD METHOD Model 1 is try18-opt2, optimized from a ProteinShop-modified model METHOD starting from try15, in turn from a Proteinshop-modified METHOD model starting from try10, from try7, that in turn came from a METHOD random model optimized using only fragments with sheet METHOD constraints from try5. METHOD METHOD Model 2 is try15-opt2.gromacs0.repack.nonPC. METHOD It is try15-opt2 (an earlier stage on the path to try18) METHOD reoptimized by gromacs, then with sidechains repacked by rosetta. METHOD It is rosetta's favorite of the backbones that it repacked METHOD sidechains for. METHOD METHOD Model 3 is try14-opt2, optimized by undertaker from try10-opt2. METHOD METHOD METHOD Model 4 is try12-op2, which scores best with the unconstrained costfcn. METHOD METHOD Model 5 is try17-opt2, optimized from a ProteinShop-modified model METHOD based on try7-opt2. This model does not score particularly METHOD well, but provides a somewhat different prediction. REMARK 6 REMARK 6 T0354 model 2 Thu Jul 20 19:58:26 2006 MODEL 2 PARENT 1y2q_A 1mp9_A 2gfg_A 1v6t_A 1g7u_A REMARK 7 REMARK 7 ALLPARENTS 1y2q_A 1mp9_A 2gfg_A 1v6t_A 1g7u_A 1ufk_A 1vgj_A REMARK 7 ALLPARENTS 1vlj_A 1jdq_A 1ais_A 1wqa_A 1dly_A 1s69_A 1wy7_A REMARK 7 ALLPARENTS 1usg_A 1vdx_A 1qys_A 1rtx_A 1e1d_A 1rz3_A ATOM 1 N MET 1 -8.181 -23.789 15.028 1.00 0.00 ATOM 2 CA MET 1 -8.484 -22.352 15.156 1.00 0.00 ATOM 3 CB MET 1 -7.498 -21.688 16.114 1.00 0.00 ATOM 4 CG MET 1 -7.618 -22.147 17.560 1.00 0.00 ATOM 5 SD MET 1 -6.379 -21.393 18.634 1.00 0.00 ATOM 6 CE MET 1 -6.986 -19.711 18.721 1.00 0.00 ATOM 7 O MET 1 -7.695 -22.200 12.926 1.00 0.00 ATOM 8 C MET 1 -8.437 -21.703 13.769 1.00 0.00 ATOM 9 N GLU 2 -8.901 -20.465 13.734 1.00 0.00 ATOM 10 CA GLU 2 -8.815 -19.607 12.530 1.00 0.00 ATOM 11 CB GLU 2 -9.675 -18.353 12.703 1.00 0.00 ATOM 12 CG GLU 2 -11.175 -18.613 12.687 1.00 0.00 ATOM 13 CD GLU 2 -11.950 -17.360 12.985 1.00 0.00 ATOM 14 OE1 GLU 2 -11.336 -16.356 13.263 1.00 0.00 ATOM 15 OE2 GLU 2 -13.148 -17.373 12.827 1.00 0.00 ATOM 16 O GLU 2 -6.928 -19.300 11.067 1.00 0.00 ATOM 17 C GLU 2 -7.380 -19.195 12.205 1.00 0.00 ATOM 18 N ILE 3 -6.607 -18.873 13.247 1.00 0.00 ATOM 19 CA ILE 3 -5.172 -18.567 13.066 1.00 0.00 ATOM 20 CB ILE 3 -4.511 -18.153 14.394 1.00 0.00 ATOM 21 CG1 ILE 3 -5.062 -16.805 14.868 1.00 0.00 ATOM 22 CG2 ILE 3 -2.999 -18.088 14.238 1.00 0.00 ATOM 23 CD1 ILE 3 -4.672 -16.450 16.283 1.00 0.00 ATOM 24 O ILE 3 -3.650 -19.654 11.556 1.00 0.00 ATOM 25 C ILE 3 -4.448 -19.792 12.480 1.00 0.00 ATOM 26 N GLN 4 -4.755 -20.965 13.019 1.00 0.00 ATOM 27 CA GLN 4 -4.164 -22.208 12.502 1.00 0.00 ATOM 28 CB GLN 4 -4.643 -23.410 13.320 1.00 0.00 ATOM 29 CG GLN 4 -4.075 -23.473 14.726 1.00 0.00 ATOM 30 CD GLN 4 -4.661 -24.613 15.538 1.00 0.00 ATOM 31 OE1 GLN 4 -5.566 -25.316 15.082 1.00 0.00 ATOM 32 NE2 GLN 4 -4.151 -24.798 16.750 1.00 0.00 ATOM 33 O GLN 4 -3.600 -22.766 10.228 1.00 0.00 ATOM 34 C GLN 4 -4.489 -22.457 11.021 1.00 0.00 ATOM 35 N GLU 5 -5.732 -22.173 10.652 1.00 0.00 ATOM 36 CA GLU 5 -6.168 -22.321 9.250 1.00 0.00 ATOM 37 CB GLU 5 -7.680 -22.117 9.134 1.00 0.00 ATOM 38 CG GLU 5 -8.514 -23.234 9.742 1.00 0.00 ATOM 39 CD GLU 5 -9.981 -22.905 9.702 1.00 0.00 ATOM 40 OE1 GLU 5 -10.316 -21.822 9.286 1.00 0.00 ATOM 41 OE2 GLU 5 -10.772 -23.774 9.981 1.00 0.00 ATOM 42 O GLU 5 -5.000 -21.774 7.215 1.00 0.00 ATOM 43 C GLU 5 -5.467 -21.366 8.287 1.00 0.00 ATOM 44 N ILE 6 -5.303 -20.126 8.740 1.00 0.00 ATOM 45 CA ILE 6 -4.615 -19.093 7.942 1.00 0.00 ATOM 46 CB ILE 6 -4.754 -17.699 8.582 1.00 0.00 ATOM 47 CG1 ILE 6 -6.211 -17.231 8.527 1.00 0.00 ATOM 48 CG2 ILE 6 -3.844 -16.701 7.884 1.00 0.00 ATOM 49 CD1 ILE 6 -6.488 -16.002 9.362 1.00 0.00 ATOM 50 O ILE 6 -2.594 -19.338 6.674 1.00 0.00 ATOM 51 C ILE 6 -3.122 -19.433 7.781 1.00 0.00 ATOM 52 N SER 7 -2.466 -19.731 8.896 1.00 0.00 ATOM 53 CA SER 7 -1.038 -20.091 8.860 1.00 0.00 ATOM 54 CB SER 7 -0.533 -20.362 10.264 1.00 0.00 ATOM 55 OG SER 7 -1.147 -21.485 10.836 1.00 0.00 ATOM 56 O SER 7 0.148 -21.272 7.146 1.00 0.00 ATOM 57 C SER 7 -0.771 -21.312 7.962 1.00 0.00 ATOM 58 N LYS 8 -1.717 -22.255 7.948 1.00 0.00 ATOM 59 CA LYS 8 -1.693 -23.412 7.026 1.00 0.00 ATOM 60 CB LYS 8 -2.871 -24.346 7.308 1.00 0.00 ATOM 61 CG LYS 8 -2.909 -25.592 6.433 1.00 0.00 ATOM 62 CD LYS 8 -4.062 -26.506 6.821 1.00 0.00 ATOM 63 CE LYS 8 -4.127 -27.729 5.920 1.00 0.00 ATOM 64 NZ LYS 8 -5.264 -28.622 6.274 1.00 0.00 ATOM 65 O LYS 8 -0.868 -23.336 4.778 1.00 0.00 ATOM 66 C LYS 8 -1.722 -22.942 5.570 1.00 0.00 ATOM 67 N LEU 9 -2.626 -22.018 5.272 1.00 0.00 ATOM 68 CA LEU 9 -2.730 -21.404 3.937 1.00 0.00 ATOM 69 CB LEU 9 -3.912 -20.428 3.893 1.00 0.00 ATOM 70 CG LEU 9 -5.299 -21.082 3.953 1.00 0.00 ATOM 71 CD1 LEU 9 -6.375 -20.012 4.088 1.00 0.00 ATOM 72 CD2 LEU 9 -5.523 -21.916 2.700 1.00 0.00 ATOM 73 O LEU 9 -1.006 -20.818 2.385 1.00 0.00 ATOM 74 C LEU 9 -1.459 -20.674 3.512 1.00 0.00 ATOM 75 N ALA 10 -0.867 -19.934 4.445 1.00 0.00 ATOM 76 CA ALA 10 0.395 -19.220 4.222 1.00 0.00 ATOM 77 CB ALA 10 0.773 -18.532 5.520 1.00 0.00 ATOM 78 O ALA 10 2.292 -19.852 2.899 1.00 0.00 ATOM 79 C ALA 10 1.543 -20.153 3.830 1.00 0.00 ATOM 80 N ILE 11 1.652 -21.242 4.592 1.00 0.00 ATOM 81 CA ILE 11 2.670 -22.270 4.322 1.00 0.00 ATOM 82 CB ILE 11 2.659 -23.372 5.399 1.00 0.00 ATOM 83 CG1 ILE 11 3.129 -22.809 6.743 1.00 0.00 ATOM 84 CG2 ILE 11 3.533 -24.541 4.972 1.00 0.00 ATOM 85 CD1 ILE 11 2.900 -23.742 7.908 1.00 0.00 ATOM 86 O ILE 11 3.396 -22.937 2.153 1.00 0.00 ATOM 87 C ILE 11 2.443 -22.904 2.935 1.00 0.00 ATOM 88 N GLU 12 1.192 -23.194 2.634 1.00 0.00 ATOM 89 CA GLU 12 0.850 -23.811 1.328 1.00 0.00 ATOM 90 CB GLU 12 -0.601 -24.298 1.328 1.00 0.00 ATOM 91 CG GLU 12 -0.858 -25.505 2.220 1.00 0.00 ATOM 92 CD GLU 12 -2.321 -25.850 2.262 1.00 0.00 ATOM 93 OE1 GLU 12 -3.098 -25.134 1.679 1.00 0.00 ATOM 94 OE2 GLU 12 -2.650 -26.891 2.781 1.00 0.00 ATOM 95 O GLU 12 1.687 -23.163 -0.850 1.00 0.00 ATOM 96 C GLU 12 1.068 -22.841 0.164 1.00 0.00 ATOM 97 N ALA 13 0.729 -21.572 0.399 1.00 0.00 ATOM 98 CA ALA 13 0.933 -20.501 -0.587 1.00 0.00 ATOM 99 CB ALA 13 0.253 -19.198 -0.175 1.00 0.00 ATOM 100 O ALA 13 2.861 -20.281 -1.960 1.00 0.00 ATOM 101 C ALA 13 2.434 -20.277 -0.813 1.00 0.00 ATOM 102 N LEU 14 3.234 -20.249 0.251 1.00 0.00 ATOM 103 CA LEU 14 4.706 -20.134 0.158 1.00 0.00 ATOM 104 CB LEU 14 5.537 -20.292 1.443 1.00 0.00 ATOM 105 CG LEU 14 6.955 -19.672 1.412 1.00 0.00 ATOM 106 CD1 LEU 14 7.124 -18.430 0.522 1.00 0.00 ATOM 107 CD2 LEU 14 7.368 -19.337 2.854 1.00 0.00 ATOM 108 O LEU 14 6.218 -21.003 -1.425 1.00 0.00 ATOM 109 C LEU 14 5.294 -21.256 -0.664 1.00 0.00 ATOM 110 N GLU 15 4.978 -22.480 -0.268 1.00 0.00 ATOM 111 CA GLU 15 5.513 -23.683 -0.925 1.00 0.00 ATOM 112 CB GLU 15 4.882 -24.944 -0.331 1.00 0.00 ATOM 113 CG GLU 15 5.350 -25.278 1.078 1.00 0.00 ATOM 114 CD GLU 15 4.622 -26.473 1.626 1.00 0.00 ATOM 115 OE1 GLU 15 3.739 -26.962 0.965 1.00 0.00 ATOM 116 OE2 GLU 15 5.023 -26.968 2.653 1.00 0.00 ATOM 117 O GLU 15 6.225 -23.695 -3.207 1.00 0.00 ATOM 118 C GLU 15 5.270 -23.621 -2.426 1.00 0.00 ATOM 119 N ASP 16 4.049 -23.232 -2.760 1.00 0.00 ATOM 120 CA ASP 16 3.644 -23.062 -4.145 1.00 0.00 ATOM 121 CB ASP 16 2.117 -23.054 -4.260 1.00 0.00 ATOM 122 CG ASP 16 1.463 -24.412 -4.047 1.00 0.00 ATOM 123 OD1 ASP 16 2.164 -25.396 -4.058 1.00 0.00 ATOM 124 OD2 ASP 16 0.301 -24.443 -3.721 1.00 0.00 ATOM 125 O ASP 16 4.278 -21.711 -5.900 1.00 0.00 ATOM 126 C ASP 16 4.226 -21.783 -4.718 1.00 0.00 ATOM 127 N ILE 17 4.631 -20.772 -3.977 1.00 0.00 ATOM 128 CA ILE 17 5.187 -19.534 -4.581 1.00 0.00 ATOM 129 CB ILE 17 4.773 -18.309 -3.755 1.00 0.00 ATOM 130 CG1 ILE 17 3.285 -18.099 -3.942 1.00 0.00 ATOM 131 CG2 ILE 17 5.506 -17.012 -4.146 1.00 0.00 ATOM 132 CD1 ILE 17 2.742 -17.388 -2.709 1.00 0.00 ATOM 133 O ILE 17 7.305 -19.169 -5.691 1.00 0.00 ATOM 134 C ILE 17 6.705 -19.630 -4.726 1.00 0.00 ATOM 135 N LYS 18 7.311 -20.183 -3.698 1.00 0.00 ATOM 136 CA LYS 18 8.755 -20.424 -3.610 1.00 0.00 ATOM 137 CB LYS 18 9.117 -21.012 -2.245 1.00 0.00 ATOM 138 CG LYS 18 10.611 -21.219 -2.026 1.00 0.00 ATOM 139 CD LYS 18 10.901 -21.705 -0.614 1.00 0.00 ATOM 140 CE LYS 18 12.381 -21.999 -0.421 1.00 0.00 ATOM 141 NZ LYS 18 12.692 -22.401 0.977 1.00 0.00 ATOM 142 O LYS 18 8.508 -22.402 -4.963 1.00 0.00 ATOM 143 C LYS 18 9.127 -21.358 -4.759 1.00 0.00 ATOM 144 N GLY 19 9.967 -20.797 -5.633 1.00 0.00 ATOM 145 CA GLY 19 10.438 -21.468 -6.861 1.00 0.00 ATOM 146 O GLY 19 9.804 -21.793 -9.142 1.00 0.00 ATOM 147 C GLY 19 9.483 -21.329 -8.044 1.00 0.00 ATOM 148 N LYS 20 8.341 -20.696 -7.828 1.00 0.00 ATOM 149 CA LYS 20 7.320 -20.554 -8.881 1.00 0.00 ATOM 150 CB LYS 20 5.963 -21.053 -8.382 1.00 0.00 ATOM 151 CG LYS 20 4.852 -21.001 -9.423 1.00 0.00 ATOM 152 CD LYS 20 3.563 -21.607 -8.887 1.00 0.00 ATOM 153 CE LYS 20 2.472 -21.616 -9.948 1.00 0.00 ATOM 154 NZ LYS 20 1.200 -22.191 -9.433 1.00 0.00 ATOM 155 O LYS 20 7.764 -18.170 -8.805 1.00 0.00 ATOM 156 C LYS 20 7.195 -19.104 -9.360 1.00 0.00 ATOM 157 N ASP 21 6.553 -19.013 -10.509 1.00 0.00 ATOM 158 CA ASP 21 6.156 -17.821 -11.266 1.00 0.00 ATOM 159 CB ASP 21 5.675 -18.472 -12.561 1.00 0.00 ATOM 160 CG ASP 21 4.352 -19.232 -12.453 1.00 0.00 ATOM 161 OD1 ASP 21 4.388 -20.242 -11.730 1.00 0.00 ATOM 162 OD2 ASP 21 3.429 -18.927 -13.244 1.00 0.00 ATOM 163 O ASP 21 4.280 -17.487 -9.785 1.00 0.00 ATOM 164 C ASP 21 4.995 -17.014 -10.652 1.00 0.00 ATOM 165 N ILE 22 4.634 -15.952 -11.360 1.00 0.00 ATOM 166 CA ILE 22 3.508 -15.057 -11.175 1.00 0.00 ATOM 167 CB ILE 22 3.512 -13.771 -12.036 1.00 0.00 ATOM 168 CG1 ILE 22 4.617 -12.801 -11.623 1.00 0.00 ATOM 169 CG2 ILE 22 2.169 -13.028 -11.947 1.00 0.00 ATOM 170 CD1 ILE 22 4.808 -11.666 -12.638 1.00 0.00 ATOM 171 O ILE 22 2.187 -16.401 -12.683 1.00 0.00 ATOM 172 C ILE 22 2.324 -15.909 -11.563 1.00 0.00 ATOM 173 N ILE 23 1.390 -15.770 -10.664 1.00 0.00 ATOM 174 CA ILE 23 0.059 -16.286 -10.906 1.00 0.00 ATOM 175 CB ILE 23 -0.270 -17.463 -9.971 1.00 0.00 ATOM 176 CG1 ILE 23 0.629 -18.662 -10.284 1.00 0.00 ATOM 177 CG2 ILE 23 -1.736 -17.847 -10.094 1.00 0.00 ATOM 178 CD1 ILE 23 0.409 -19.247 -11.660 1.00 0.00 ATOM 179 O ILE 23 -1.038 -14.585 -9.614 1.00 0.00 ATOM 180 C ILE 23 -0.922 -15.141 -10.709 1.00 0.00 ATOM 181 N GLU 24 -1.678 -14.906 -11.771 1.00 0.00 ATOM 182 CA GLU 24 -2.693 -13.848 -11.802 1.00 0.00 ATOM 183 CB GLU 24 -2.384 -12.842 -12.912 1.00 0.00 ATOM 184 CG GLU 24 -3.388 -11.703 -13.025 1.00 0.00 ATOM 185 CD GLU 24 -3.006 -10.744 -14.118 1.00 0.00 ATOM 186 OE1 GLU 24 -2.030 -10.991 -14.785 1.00 0.00 ATOM 187 OE2 GLU 24 -3.751 -9.823 -14.359 1.00 0.00 ATOM 188 O GLU 24 -4.270 -15.328 -12.830 1.00 0.00 ATOM 189 C GLU 24 -4.072 -14.446 -11.993 1.00 0.00 ATOM 190 N LEU 25 -4.991 -14.011 -11.155 1.00 0.00 ATOM 191 CA LEU 25 -6.382 -14.450 -11.299 1.00 0.00 ATOM 192 CB LEU 25 -6.802 -15.286 -10.084 1.00 0.00 ATOM 193 CG LEU 25 -8.107 -16.075 -10.254 1.00 0.00 ATOM 194 CD1 LEU 25 -8.268 -17.067 -9.110 1.00 0.00 ATOM 195 CD2 LEU 25 -9.282 -15.109 -10.300 1.00 0.00 ATOM 196 O LEU 25 -7.355 -12.361 -10.565 1.00 0.00 ATOM 197 C LEU 25 -7.241 -13.195 -11.468 1.00 0.00 ATOM 198 N ASP 26 -7.842 -13.113 -12.654 1.00 0.00 ATOM 199 CA ASP 26 -8.498 -11.870 -13.078 1.00 0.00 ATOM 200 CB ASP 26 -7.834 -11.316 -14.341 1.00 0.00 ATOM 201 CG ASP 26 -8.292 -9.917 -14.730 1.00 0.00 ATOM 202 OD1 ASP 26 -9.197 -9.415 -14.108 1.00 0.00 ATOM 203 OD2 ASP 26 -7.635 -9.302 -15.537 1.00 0.00 ATOM 204 O ASP 26 -10.463 -12.851 -14.157 1.00 0.00 ATOM 205 C ASP 26 -9.989 -12.063 -13.328 1.00 0.00 ATOM 206 N THR 27 -10.742 -11.380 -12.487 1.00 0.00 ATOM 207 CA THR 27 -12.195 -11.243 -12.682 1.00 0.00 ATOM 208 CB THR 27 -12.954 -11.305 -11.344 1.00 0.00 ATOM 209 CG2 THR 27 -14.448 -11.128 -11.567 1.00 0.00 ATOM 210 OG1 THR 27 -12.716 -12.572 -10.716 1.00 0.00 ATOM 211 O THR 27 -11.684 -8.928 -13.082 1.00 0.00 ATOM 212 C THR 27 -12.373 -9.883 -13.399 1.00 0.00 ATOM 213 N SER 28 -13.007 -9.915 -14.576 1.00 0.00 ATOM 214 CA SER 28 -13.104 -8.751 -15.482 1.00 0.00 ATOM 215 CB SER 28 -12.163 -8.925 -16.658 1.00 0.00 ATOM 216 OG SER 28 -12.253 -7.863 -17.566 1.00 0.00 ATOM 217 O SER 28 -15.261 -9.436 -16.293 1.00 0.00 ATOM 218 C SER 28 -14.528 -8.499 -16.009 1.00 0.00 ATOM 219 N LYS 29 -14.876 -7.231 -16.212 1.00 0.00 ATOM 220 CA LYS 29 -16.163 -6.761 -16.729 1.00 0.00 ATOM 221 CB LYS 29 -17.031 -6.218 -15.594 1.00 0.00 ATOM 222 CG LYS 29 -18.434 -5.805 -16.016 1.00 0.00 ATOM 223 CD LYS 29 -19.259 -5.344 -14.823 1.00 0.00 ATOM 224 CE LYS 29 -20.652 -4.906 -15.248 1.00 0.00 ATOM 225 NZ LYS 29 -21.484 -4.491 -14.086 1.00 0.00 ATOM 226 O LYS 29 -15.185 -4.698 -17.538 1.00 0.00 ATOM 227 C LYS 29 -15.875 -5.697 -17.791 1.00 0.00 ATOM 228 N LEU 30 -16.576 -5.847 -18.898 1.00 0.00 ATOM 229 CA LEU 30 -16.383 -4.971 -20.058 1.00 0.00 ATOM 230 CB LEU 30 -15.077 -5.328 -20.780 1.00 0.00 ATOM 231 CG LEU 30 -14.758 -4.474 -22.013 1.00 0.00 ATOM 232 CD1 LEU 30 -14.456 -3.042 -21.593 1.00 0.00 ATOM 233 CD2 LEU 30 -13.579 -5.078 -22.760 1.00 0.00 ATOM 234 O LEU 30 -18.158 -6.102 -21.145 1.00 0.00 ATOM 235 C LEU 30 -17.555 -5.051 -21.027 1.00 0.00 ATOM 236 N THR 31 -17.997 -3.864 -21.463 1.00 0.00 ATOM 237 CA THR 31 -19.077 -3.640 -22.439 1.00 0.00 ATOM 238 CB THR 31 -18.571 -3.789 -23.886 1.00 0.00 ATOM 239 CG2 THR 31 -17.448 -2.801 -24.162 1.00 0.00 ATOM 240 OG1 THR 31 -18.090 -5.124 -24.091 1.00 0.00 ATOM 241 O THR 31 -20.685 -5.315 -23.196 1.00 0.00 ATOM 242 C THR 31 -20.291 -4.579 -22.284 1.00 0.00 ATOM 243 N SER 32 -20.760 -4.629 -21.031 1.00 0.00 ATOM 244 CA SER 32 -21.982 -5.345 -20.565 1.00 0.00 ATOM 245 CB SER 32 -23.025 -5.368 -21.666 1.00 0.00 ATOM 246 OG SER 32 -23.462 -4.081 -22.004 1.00 0.00 ATOM 247 O SER 32 -22.691 -7.311 -19.422 1.00 0.00 ATOM 248 C SER 32 -21.788 -6.781 -20.086 1.00 0.00 ATOM 249 N LEU 33 -20.680 -7.416 -20.449 1.00 0.00 ATOM 250 CA LEU 33 -20.390 -8.834 -20.104 1.00 0.00 ATOM 251 CB LEU 33 -20.119 -9.645 -21.378 1.00 0.00 ATOM 252 CG LEU 33 -21.253 -9.636 -22.412 1.00 0.00 ATOM 253 CD1 LEU 33 -20.812 -10.359 -23.676 1.00 0.00 ATOM 254 CD2 LEU 33 -22.488 -10.293 -21.817 1.00 0.00 ATOM 255 O LEU 33 -18.603 -7.926 -18.777 1.00 0.00 ATOM 256 C LEU 33 -19.206 -8.933 -19.146 1.00 0.00 ATOM 257 N PHE 34 -18.988 -10.141 -18.636 1.00 0.00 ATOM 258 CA PHE 34 -17.853 -10.374 -17.737 1.00 0.00 ATOM 259 CB PHE 34 -18.309 -10.325 -16.277 1.00 0.00 ATOM 260 CG PHE 34 -19.269 -11.421 -15.906 1.00 0.00 ATOM 261 CD1 PHE 34 -18.805 -12.625 -15.398 1.00 0.00 ATOM 262 CD2 PHE 34 -20.636 -11.249 -16.065 1.00 0.00 ATOM 263 CE1 PHE 34 -19.688 -13.632 -15.056 1.00 0.00 ATOM 264 CE2 PHE 34 -21.519 -12.254 -15.723 1.00 0.00 ATOM 265 CZ PHE 34 -21.044 -13.447 -15.218 1.00 0.00 ATOM 266 O PHE 34 -17.877 -12.623 -18.396 1.00 0.00 ATOM 267 C PHE 34 -17.188 -11.696 -18.030 1.00 0.00 ATOM 268 N GLN 35 -15.970 -11.799 -17.568 1.00 0.00 ATOM 269 CA GLN 35 -15.186 -13.027 -17.734 1.00 0.00 ATOM 270 CB GLN 35 -14.305 -12.936 -18.982 1.00 0.00 ATOM 271 CG GLN 35 -15.079 -12.835 -20.285 1.00 0.00 ATOM 272 CD GLN 35 -15.785 -14.130 -20.640 1.00 0.00 ATOM 273 OE1 GLN 35 -15.283 -15.222 -20.364 1.00 0.00 ATOM 274 NE2 GLN 35 -16.954 -14.014 -21.259 1.00 0.00 ATOM 275 O GLN 35 -14.241 -12.426 -15.593 1.00 0.00 ATOM 276 C GLN 35 -14.339 -13.261 -16.499 1.00 0.00 ATOM 277 N ARG 36 -13.955 -14.518 -16.443 1.00 0.00 ATOM 278 CA ARG 36 -12.941 -14.957 -15.484 1.00 0.00 ATOM 279 CB ARG 36 -13.513 -15.902 -14.437 1.00 0.00 ATOM 280 CG ARG 36 -14.073 -17.203 -14.988 1.00 0.00 ATOM 281 CD ARG 36 -14.827 -18.014 -13.997 1.00 0.00 ATOM 282 NE ARG 36 -15.225 -19.329 -14.473 1.00 0.00 ATOM 283 CZ ARG 36 -16.248 -19.558 -15.319 1.00 0.00 ATOM 284 NH1 ARG 36 -17.001 -18.573 -15.755 1.00 0.00 ATOM 285 NH2 ARG 36 -16.492 -20.806 -15.681 1.00 0.00 ATOM 286 O ARG 36 -11.984 -16.391 -17.131 1.00 0.00 ATOM 287 C ARG 36 -11.775 -15.558 -16.249 1.00 0.00 ATOM 288 N MET 37 -10.605 -15.244 -15.741 1.00 0.00 ATOM 289 CA MET 37 -9.336 -15.708 -16.299 1.00 0.00 ATOM 290 CB MET 37 -8.805 -14.697 -17.313 1.00 0.00 ATOM 291 CG MET 37 -8.420 -13.350 -16.718 1.00 0.00 ATOM 292 SD MET 37 -7.854 -12.175 -17.964 1.00 0.00 ATOM 293 CE MET 37 -9.397 -11.779 -18.781 1.00 0.00 ATOM 294 O MET 37 -8.091 -15.353 -14.267 1.00 0.00 ATOM 295 C MET 37 -8.203 -15.989 -15.314 1.00 0.00 ATOM 296 N ILE 38 -7.424 -17.004 -15.644 1.00 0.00 ATOM 297 CA ILE 38 -6.197 -17.326 -14.891 1.00 0.00 ATOM 298 CB ILE 38 -6.237 -18.760 -14.331 1.00 0.00 ATOM 299 CG1 ILE 38 -7.303 -18.876 -13.238 1.00 0.00 ATOM 300 CG2 ILE 38 -4.872 -19.159 -13.792 1.00 0.00 ATOM 301 CD1 ILE 38 -7.411 -20.259 -12.637 1.00 0.00 ATOM 302 O ILE 38 -5.035 -17.672 -16.956 1.00 0.00 ATOM 303 C ILE 38 -5.029 -17.130 -15.859 1.00 0.00 ATOM 304 N VAL 39 -3.989 -16.505 -15.332 1.00 0.00 ATOM 305 CA VAL 39 -2.812 -16.237 -16.154 1.00 0.00 ATOM 306 CB VAL 39 -2.702 -14.743 -16.511 1.00 0.00 ATOM 307 CG1 VAL 39 -1.447 -14.483 -17.331 1.00 0.00 ATOM 308 CG2 VAL 39 -3.937 -14.283 -17.270 1.00 0.00 ATOM 309 O VAL 39 -1.361 -16.384 -14.239 1.00 0.00 ATOM 310 C VAL 39 -1.577 -16.688 -15.416 1.00 0.00 ATOM 311 N ALA 40 -0.778 -17.328 -16.225 1.00 0.00 ATOM 312 CA ALA 40 0.501 -17.810 -15.715 1.00 0.00 ATOM 313 CB ALA 40 0.571 -19.329 -15.908 1.00 0.00 ATOM 314 O ALA 40 1.692 -16.794 -17.569 1.00 0.00 ATOM 315 C ALA 40 1.648 -17.032 -16.349 1.00 0.00 ATOM 316 N THR 41 2.499 -16.545 -15.474 1.00 0.00 ATOM 317 CA THR 41 3.696 -15.773 -15.884 1.00 0.00 ATOM 318 CB THR 41 3.543 -14.276 -15.557 1.00 0.00 ATOM 319 CG2 THR 41 4.848 -13.538 -15.813 1.00 0.00 ATOM 320 OG1 THR 41 2.509 -13.709 -16.372 1.00 0.00 ATOM 321 O THR 41 4.859 -16.288 -13.967 1.00 0.00 ATOM 322 C THR 41 4.901 -16.358 -15.173 1.00 0.00 ATOM 323 N GLY 42 6.042 -16.463 -15.840 1.00 0.00 ATOM 324 CA GLY 42 7.306 -16.931 -15.241 1.00 0.00 ATOM 325 O GLY 42 8.380 -15.162 -16.440 1.00 0.00 ATOM 326 C GLY 42 8.478 -16.007 -15.550 1.00 0.00 ATOM 327 N ASP 43 9.630 -16.285 -14.960 1.00 0.00 ATOM 328 CA ASP 43 10.849 -15.493 -15.229 1.00 0.00 ATOM 329 CB ASP 43 11.606 -15.215 -13.928 1.00 0.00 ATOM 330 CG ASP 43 12.243 -16.444 -13.295 1.00 0.00 ATOM 331 OD1 ASP 43 12.069 -17.518 -13.824 1.00 0.00 ATOM 332 OD2 ASP 43 13.022 -16.284 -12.387 1.00 0.00 ATOM 333 O ASP 43 12.941 -15.633 -16.428 1.00 0.00 ATOM 334 C ASP 43 11.828 -16.136 -16.223 1.00 0.00 ATOM 335 N SER 44 11.401 -17.233 -16.827 1.00 0.00 ATOM 336 CA SER 44 12.225 -17.989 -17.789 1.00 0.00 ATOM 337 CB SER 44 12.856 -17.105 -18.882 1.00 0.00 ATOM 338 OG SER 44 11.848 -16.427 -19.627 1.00 0.00 ATOM 339 O SER 44 14.127 -19.367 -17.861 1.00 0.00 ATOM 340 C SER 44 13.391 -18.723 -17.122 1.00 0.00 ATOM 341 N ASN 45 13.534 -18.653 -15.800 1.00 0.00 ATOM 342 CA ASN 45 14.551 -19.448 -15.105 1.00 0.00 ATOM 343 CB ASN 45 14.984 -18.869 -13.762 1.00 0.00 ATOM 344 CG ASN 45 15.726 -17.546 -13.951 1.00 0.00 ATOM 345 ND2 ASN 45 15.649 -16.749 -12.931 1.00 0.00 ATOM 346 OD1 ASN 45 16.397 -17.254 -14.937 1.00 0.00 ATOM 347 O ASN 45 12.894 -21.195 -15.157 1.00 0.00 ATOM 348 C ASN 45 14.071 -20.892 -14.979 1.00 0.00 ATOM 349 N ARG 46 15.018 -21.790 -14.780 1.00 0.00 ATOM 350 CA ARG 46 14.730 -23.232 -14.715 1.00 0.00 ATOM 351 CB ARG 46 15.985 -24.057 -14.470 1.00 0.00 ATOM 352 CG ARG 46 15.773 -25.562 -14.481 1.00 0.00 ATOM 353 CD ARG 46 16.987 -26.354 -14.156 1.00 0.00 ATOM 354 NE ARG 46 17.477 -26.177 -12.799 1.00 0.00 ATOM 355 CZ ARG 46 16.938 -26.758 -11.709 1.00 0.00 ATOM 356 NH1 ARG 46 15.872 -27.521 -11.806 1.00 0.00 ATOM 357 NH2 ARG 46 17.496 -26.520 -10.535 1.00 0.00 ATOM 358 O ARG 46 12.673 -24.280 -14.002 1.00 0.00 ATOM 359 C ARG 46 13.650 -23.592 -13.684 1.00 0.00 ATOM 360 N GLN 47 13.799 -23.018 -12.494 1.00 0.00 ATOM 361 CA GLN 47 12.897 -23.258 -11.360 1.00 0.00 ATOM 362 CB GLN 47 13.401 -22.531 -10.110 1.00 0.00 ATOM 363 CG GLN 47 14.653 -23.138 -9.500 1.00 0.00 ATOM 364 CD GLN 47 15.203 -22.303 -8.359 1.00 0.00 ATOM 365 OE1 GLN 47 14.608 -21.296 -7.965 1.00 0.00 ATOM 366 NE2 GLN 47 16.347 -22.715 -7.825 1.00 0.00 ATOM 367 O GLN 47 10.548 -23.634 -11.677 1.00 0.00 ATOM 368 C GLN 47 11.470 -22.821 -11.638 1.00 0.00 ATOM 369 N VAL 48 11.366 -21.533 -11.924 1.00 0.00 ATOM 370 CA VAL 48 10.073 -20.877 -12.151 1.00 0.00 ATOM 371 CB VAL 48 10.280 -19.374 -12.279 1.00 0.00 ATOM 372 CG1 VAL 48 9.035 -18.651 -12.751 1.00 0.00 ATOM 373 CG2 VAL 48 10.731 -18.749 -10.959 1.00 0.00 ATOM 374 O VAL 48 8.210 -21.786 -13.358 1.00 0.00 ATOM 375 C VAL 48 9.385 -21.461 -13.395 1.00 0.00 ATOM 376 N LYS 49 10.155 -21.565 -14.471 1.00 0.00 ATOM 377 CA LYS 49 9.593 -22.037 -15.748 1.00 0.00 ATOM 378 CB LYS 49 10.660 -22.016 -16.844 1.00 0.00 ATOM 379 CG LYS 49 10.161 -22.450 -18.216 1.00 0.00 ATOM 380 CD LYS 49 11.256 -22.333 -19.265 1.00 0.00 ATOM 381 CE LYS 49 10.772 -22.805 -20.628 1.00 0.00 ATOM 382 NZ LYS 49 11.840 -22.714 -21.660 1.00 0.00 ATOM 383 O LYS 49 7.895 -23.720 -16.082 1.00 0.00 ATOM 384 C LYS 49 9.001 -23.456 -15.627 1.00 0.00 ATOM 385 N ALA 50 9.757 -24.357 -15.001 1.00 0.00 ATOM 386 CA ALA 50 9.303 -25.745 -14.869 1.00 0.00 ATOM 387 CB ALA 50 10.348 -26.538 -14.131 1.00 0.00 ATOM 388 O ALA 50 7.043 -26.472 -14.530 1.00 0.00 ATOM 389 C ALA 50 7.997 -25.840 -14.073 1.00 0.00 ATOM 390 N LEU 51 7.968 -25.049 -13.007 1.00 0.00 ATOM 391 CA LEU 51 6.777 -24.936 -12.159 1.00 0.00 ATOM 392 CB LEU 51 7.086 -24.081 -10.923 1.00 0.00 ATOM 393 CG LEU 51 7.191 -24.855 -9.603 1.00 0.00 ATOM 394 CD1 LEU 51 7.406 -26.336 -9.882 1.00 0.00 ATOM 395 CD2 LEU 51 8.335 -24.292 -8.773 1.00 0.00 ATOM 396 O LEU 51 4.472 -24.939 -12.817 1.00 0.00 ATOM 397 C LEU 51 5.563 -24.352 -12.870 1.00 0.00 ATOM 398 N ALA 52 5.808 -23.303 -13.649 1.00 0.00 ATOM 399 CA ALA 52 4.750 -22.624 -14.419 1.00 0.00 ATOM 400 CB ALA 52 5.296 -21.353 -15.053 1.00 0.00 ATOM 401 O ALA 52 2.923 -23.672 -15.574 1.00 0.00 ATOM 402 C ALA 52 4.144 -23.523 -15.506 1.00 0.00 ATOM 403 N ASN 53 5.015 -24.319 -16.141 1.00 0.00 ATOM 404 CA ASN 53 4.560 -25.269 -17.173 1.00 0.00 ATOM 405 CB ASN 53 5.729 -25.845 -17.951 1.00 0.00 ATOM 406 CG ASN 53 6.363 -24.869 -18.902 1.00 0.00 ATOM 407 ND2 ASN 53 7.556 -25.192 -19.331 1.00 0.00 ATOM 408 OD1 ASN 53 5.750 -23.871 -19.301 1.00 0.00 ATOM 409 O ASN 53 2.695 -26.764 -17.186 1.00 0.00 ATOM 410 C ASN 53 3.720 -26.418 -16.613 1.00 0.00 ATOM 411 N SER 54 4.126 -26.923 -15.455 1.00 0.00 ATOM 412 CA SER 54 3.369 -28.014 -14.812 1.00 0.00 ATOM 413 CB SER 54 4.134 -28.546 -13.616 1.00 0.00 ATOM 414 OG SER 54 5.329 -29.172 -13.992 1.00 0.00 ATOM 415 O SER 54 0.995 -28.241 -14.600 1.00 0.00 ATOM 416 C SER 54 1.976 -27.543 -14.390 1.00 0.00 ATOM 417 N VAL 55 1.917 -26.334 -13.828 1.00 0.00 ATOM 418 CA VAL 55 0.628 -25.748 -13.421 1.00 0.00 ATOM 419 CB VAL 55 0.834 -24.468 -12.613 1.00 0.00 ATOM 420 CG1 VAL 55 -0.524 -23.827 -12.298 1.00 0.00 ATOM 421 CG2 VAL 55 1.595 -24.804 -11.324 1.00 0.00 ATOM 422 O VAL 55 -1.477 -25.857 -14.557 1.00 0.00 ATOM 423 C VAL 55 -0.302 -25.508 -14.621 1.00 0.00 ATOM 424 N GLN 56 0.268 -24.952 -15.688 1.00 0.00 ATOM 425 CA GLN 56 -0.503 -24.670 -16.910 1.00 0.00 ATOM 426 CB GLN 56 0.395 -23.967 -17.914 1.00 0.00 ATOM 427 CG GLN 56 -0.335 -23.643 -19.218 1.00 0.00 ATOM 428 CD GLN 56 0.577 -22.986 -20.239 1.00 0.00 ATOM 429 OE1 GLN 56 1.780 -22.762 -20.089 1.00 0.00 ATOM 430 NE2 GLN 56 -0.007 -22.583 -21.327 1.00 0.00 ATOM 431 O GLN 56 -2.262 -26.035 -17.836 1.00 0.00 ATOM 432 C GLN 56 -1.068 -25.965 -17.529 1.00 0.00 ATOM 433 N VAL 57 -0.222 -26.982 -17.584 1.00 0.00 ATOM 434 CA VAL 57 -0.639 -28.318 -18.078 1.00 0.00 ATOM 435 CB VAL 57 0.533 -29.318 -18.063 1.00 0.00 ATOM 436 CG1 VAL 57 0.039 -30.721 -18.380 1.00 0.00 ATOM 437 CG2 VAL 57 1.606 -28.895 -19.055 1.00 0.00 ATOM 438 O VAL 57 -2.812 -29.312 -17.741 1.00 0.00 ATOM 439 C VAL 57 -1.791 -28.856 -17.220 1.00 0.00 ATOM 440 N LYS 58 -1.586 -28.797 -15.912 1.00 0.00 ATOM 441 CA LYS 58 -2.566 -29.302 -14.928 1.00 0.00 ATOM 442 CB LYS 58 -2.012 -29.176 -13.508 1.00 0.00 ATOM 443 CG LYS 58 -2.935 -29.715 -12.423 1.00 0.00 ATOM 444 CD LYS 58 -2.285 -29.626 -11.049 1.00 0.00 ATOM 445 CE LYS 58 -3.219 -30.135 -9.961 1.00 0.00 ATOM 446 NZ LYS 58 -2.602 -30.038 -8.610 1.00 0.00 ATOM 447 O LYS 58 -4.961 -29.209 -15.088 1.00 0.00 ATOM 448 C LYS 58 -3.909 -28.569 -15.023 1.00 0.00 ATOM 449 N LEU 59 -3.830 -27.250 -15.192 1.00 0.00 ATOM 450 CA LEU 59 -5.028 -26.402 -15.341 1.00 0.00 ATOM 451 CB LEU 59 -4.632 -24.920 -15.331 1.00 0.00 ATOM 452 CG LEU 59 -4.134 -24.387 -13.981 1.00 0.00 ATOM 453 CD1 LEU 59 -3.602 -22.969 -14.144 1.00 0.00 ATOM 454 CD2 LEU 59 -5.269 -24.425 -12.969 1.00 0.00 ATOM 455 O LEU 59 -7.013 -26.897 -16.611 1.00 0.00 ATOM 456 C LEU 59 -5.799 -26.729 -16.621 1.00 0.00 ATOM 457 N LYS 60 -5.053 -26.929 -17.703 1.00 0.00 ATOM 458 CA LYS 60 -5.650 -27.314 -18.997 1.00 0.00 ATOM 459 CB LYS 60 -4.576 -27.382 -20.083 1.00 0.00 ATOM 460 CG LYS 60 -4.064 -26.025 -20.547 1.00 0.00 ATOM 461 CD LYS 60 -2.912 -26.174 -21.529 1.00 0.00 ATOM 462 CE LYS 60 -3.373 -26.807 -22.833 1.00 0.00 ATOM 463 NZ LYS 60 -2.269 -26.911 -23.824 1.00 0.00 ATOM 464 O LYS 60 -7.487 -28.806 -19.404 1.00 0.00 ATOM 465 C LYS 60 -6.377 -28.659 -18.884 1.00 0.00 ATOM 466 N GLU 61 -5.712 -29.580 -18.207 1.00 0.00 ATOM 467 CA GLU 61 -6.255 -30.919 -17.959 1.00 0.00 ATOM 468 CB GLU 61 -5.245 -31.773 -17.191 1.00 0.00 ATOM 469 CG GLU 61 -4.027 -32.191 -18.005 1.00 0.00 ATOM 470 CD GLU 61 -3.033 -32.934 -17.157 1.00 0.00 ATOM 471 OE1 GLU 61 -3.256 -33.050 -15.976 1.00 0.00 ATOM 472 OE2 GLU 61 -2.107 -33.483 -17.707 1.00 0.00 ATOM 473 O GLU 61 -8.547 -31.448 -17.615 1.00 0.00 ATOM 474 C GLU 61 -7.581 -30.833 -17.184 1.00 0.00 ATOM 475 N ALA 62 -7.712 -29.876 -16.286 1.00 0.00 ATOM 476 CA ALA 62 -8.973 -29.673 -15.550 1.00 0.00 ATOM 477 CB ALA 62 -8.661 -29.136 -14.151 1.00 0.00 ATOM 478 O ALA 62 -11.104 -28.569 -15.781 1.00 0.00 ATOM 479 C ALA 62 -9.995 -28.779 -16.264 1.00 0.00 ATOM 480 N GLY 63 -9.635 -28.323 -17.462 1.00 0.00 ATOM 481 CA GLY 63 -10.472 -27.419 -18.281 1.00 0.00 ATOM 482 O GLY 63 -11.695 -25.433 -17.649 1.00 0.00 ATOM 483 C GLY 63 -10.627 -26.043 -17.626 1.00 0.00 ATOM 484 N VAL 64 -9.550 -25.588 -17.008 1.00 0.00 ATOM 485 CA VAL 64 -9.489 -24.247 -16.403 1.00 0.00 ATOM 486 CB VAL 64 -8.402 -24.167 -15.316 1.00 0.00 ATOM 487 CG1 VAL 64 -8.248 -22.736 -14.820 1.00 0.00 ATOM 488 CG2 VAL 64 -8.735 -25.096 -14.159 1.00 0.00 ATOM 489 O VAL 64 -8.473 -23.519 -18.437 1.00 0.00 ATOM 490 C VAL 64 -9.218 -23.217 -17.508 1.00 0.00 ATOM 491 N ASP 65 -9.703 -22.001 -17.289 1.00 0.00 ATOM 492 CA ASP 65 -9.475 -20.880 -18.214 1.00 0.00 ATOM 493 CB ASP 65 -10.653 -19.906 -18.294 1.00 0.00 ATOM 494 CG ASP 65 -10.444 -18.845 -19.391 1.00 0.00 ATOM 495 OD1 ASP 65 -9.408 -18.841 -20.095 1.00 0.00 ATOM 496 OD2 ASP 65 -11.369 -18.034 -19.533 1.00 0.00 ATOM 497 O ASP 65 -8.100 -19.031 -17.427 1.00 0.00 ATOM 498 C ASP 65 -8.157 -20.109 -18.023 1.00 0.00 ATOM 499 N ILE 66 -7.112 -20.650 -18.636 1.00 0.00 ATOM 500 CA ILE 66 -5.829 -19.937 -18.680 1.00 0.00 ATOM 501 CB ILE 66 -4.632 -20.885 -18.805 1.00 0.00 ATOM 502 CG1 ILE 66 -4.683 -21.933 -17.690 1.00 0.00 ATOM 503 CG2 ILE 66 -3.321 -20.081 -18.717 1.00 0.00 ATOM 504 CD1 ILE 66 -3.672 -23.046 -17.926 1.00 0.00 ATOM 505 O ILE 66 -5.918 -19.439 -21.012 1.00 0.00 ATOM 506 C ILE 66 -5.900 -18.978 -19.871 1.00 0.00 ATOM 507 N VAL 67 -5.911 -17.689 -19.579 1.00 0.00 ATOM 508 CA VAL 67 -5.969 -16.701 -20.672 1.00 0.00 ATOM 509 CB VAL 67 -6.443 -15.323 -20.248 1.00 0.00 ATOM 510 CG1 VAL 67 -6.485 -14.245 -21.355 1.00 0.00 ATOM 511 CG2 VAL 67 -7.868 -15.670 -19.993 1.00 0.00 ATOM 512 O VAL 67 -4.657 -16.467 -22.589 1.00 0.00 ATOM 513 C VAL 67 -4.648 -16.588 -21.368 1.00 0.00 ATOM 514 N GLY 68 -3.598 -16.508 -20.563 1.00 0.00 ATOM 515 CA GLY 68 -2.243 -16.306 -21.063 1.00 0.00 ATOM 516 O GLY 68 -1.356 -17.514 -19.198 1.00 0.00 ATOM 517 C GLY 68 -1.156 -17.111 -20.339 1.00 0.00 ATOM 518 N SER 69 -0.037 -17.325 -21.018 1.00 0.00 ATOM 519 CA SER 69 1.206 -17.912 -20.471 1.00 0.00 ATOM 520 CB SER 69 1.308 -19.374 -20.860 1.00 0.00 ATOM 521 OG SER 69 2.496 -19.959 -20.403 1.00 0.00 ATOM 522 O SER 69 2.676 -17.138 -22.196 1.00 0.00 ATOM 523 C SER 69 2.375 -17.083 -21.003 1.00 0.00 ATOM 524 N GLU 70 2.977 -16.285 -20.127 1.00 0.00 ATOM 525 CA GLU 70 4.033 -15.345 -20.542 1.00 0.00 ATOM 526 CB GLU 70 3.493 -13.914 -20.579 1.00 0.00 ATOM 527 CG GLU 70 2.393 -13.683 -21.607 1.00 0.00 ATOM 528 CD GLU 70 1.924 -12.255 -21.595 1.00 0.00 ATOM 529 OE1 GLU 70 2.425 -11.493 -20.804 1.00 0.00 ATOM 530 OE2 GLU 70 1.147 -11.899 -22.449 1.00 0.00 ATOM 531 O GLU 70 5.171 -15.731 -18.465 1.00 0.00 ATOM 532 C GLU 70 5.257 -15.395 -19.637 1.00 0.00 ATOM 533 N GLY 71 6.345 -14.877 -20.191 1.00 0.00 ATOM 534 CA GLY 71 7.603 -14.692 -19.454 1.00 0.00 ATOM 535 O GLY 71 7.539 -12.335 -20.048 1.00 0.00 ATOM 536 C GLY 71 7.905 -13.200 -19.271 1.00 0.00 ATOM 537 N HIS 72 8.558 -12.943 -18.146 1.00 0.00 ATOM 538 CA HIS 72 9.032 -11.608 -17.773 1.00 0.00 ATOM 539 CB HIS 72 8.004 -10.910 -16.870 1.00 0.00 ATOM 540 CG HIS 72 8.391 -9.468 -16.512 1.00 0.00 ATOM 541 CD2 HIS 72 8.222 -8.392 -17.273 1.00 0.00 ATOM 542 ND1 HIS 72 9.017 -9.082 -15.404 1.00 0.00 ATOM 543 CE1 HIS 72 9.244 -7.776 -15.496 1.00 0.00 ATOM 544 NE2 HIS 72 8.762 -7.348 -16.657 1.00 0.00 ATOM 545 O HIS 72 10.825 -12.859 -16.794 1.00 0.00 ATOM 546 C HIS 72 10.381 -11.752 -17.072 1.00 0.00 ATOM 547 N GLU 73 11.025 -10.620 -16.860 1.00 0.00 ATOM 548 CA GLU 73 12.321 -10.549 -16.161 1.00 0.00 ATOM 549 CB GLU 73 12.748 -9.091 -15.972 1.00 0.00 ATOM 550 CG GLU 73 13.187 -8.394 -17.253 1.00 0.00 ATOM 551 CD GLU 73 13.504 -6.946 -17.005 1.00 0.00 ATOM 552 OE1 GLU 73 13.313 -6.496 -15.901 1.00 0.00 ATOM 553 OE2 GLU 73 14.044 -6.317 -17.885 1.00 0.00 ATOM 554 O GLU 73 13.440 -11.816 -14.472 1.00 0.00 ATOM 555 C GLU 73 12.406 -11.223 -14.779 1.00 0.00 ATOM 556 N SER 74 11.366 -11.107 -13.943 1.00 0.00 ATOM 557 CA SER 74 11.444 -11.651 -12.577 1.00 0.00 ATOM 558 CB SER 74 11.265 -10.540 -11.561 1.00 0.00 ATOM 559 OG SER 74 10.061 -9.848 -11.745 1.00 0.00 ATOM 560 O SER 74 10.782 -13.800 -11.755 1.00 0.00 ATOM 561 C SER 74 10.442 -12.745 -12.271 1.00 0.00 ATOM 562 N GLY 75 9.257 -12.597 -12.837 1.00 0.00 ATOM 563 CA GLY 75 8.268 -13.664 -12.840 1.00 0.00 ATOM 564 O GLY 75 6.737 -14.861 -11.822 1.00 0.00 ATOM 565 C GLY 75 7.665 -14.178 -11.548 1.00 0.00 ATOM 566 N GLU 76 8.123 -14.104 -10.301 1.00 0.00 ATOM 567 CA GLU 76 7.428 -14.673 -9.114 1.00 0.00 ATOM 568 CB GLU 76 8.445 -15.227 -8.113 1.00 0.00 ATOM 569 CG GLU 76 7.844 -15.673 -6.788 1.00 0.00 ATOM 570 CD GLU 76 8.893 -16.247 -5.878 1.00 0.00 ATOM 571 OE1 GLU 76 9.525 -17.203 -6.259 1.00 0.00 ATOM 572 OE2 GLU 76 9.142 -15.664 -4.849 1.00 0.00 ATOM 573 O GLU 76 7.081 -12.606 -8.011 1.00 0.00 ATOM 574 C GLU 76 6.540 -13.626 -8.435 1.00 0.00 ATOM 575 N TRP 77 5.257 -13.946 -8.251 1.00 0.00 ATOM 576 CA TRP 77 4.290 -13.196 -7.432 1.00 0.00 ATOM 577 CB TRP 77 4.378 -11.675 -7.407 1.00 0.00 ATOM 578 CG TRP 77 5.298 -11.401 -6.228 1.00 0.00 ATOM 579 CD1 TRP 77 5.618 -12.207 -5.199 1.00 0.00 ATOM 580 CD2 TRP 77 6.121 -10.310 -6.148 1.00 0.00 ATOM 581 CE2 TRP 77 6.880 -10.484 -5.020 1.00 0.00 ATOM 582 CE3 TRP 77 6.252 -9.188 -6.945 1.00 0.00 ATOM 583 NE1 TRP 77 6.583 -11.644 -4.473 1.00 0.00 ATOM 584 CZ2 TRP 77 7.766 -9.497 -4.657 1.00 0.00 ATOM 585 CZ3 TRP 77 7.148 -8.190 -6.585 1.00 0.00 ATOM 586 CH2 TRP 77 7.886 -8.363 -5.447 1.00 0.00 ATOM 587 O TRP 77 2.482 -14.332 -8.458 1.00 0.00 ATOM 588 C TRP 77 2.845 -13.595 -7.538 1.00 0.00 ATOM 589 N VAL 78 2.093 -13.244 -6.510 1.00 0.00 ATOM 590 CA VAL 78 0.674 -13.635 -6.554 1.00 0.00 ATOM 591 CB VAL 78 0.321 -14.968 -5.879 1.00 0.00 ATOM 592 CG1 VAL 78 0.754 -16.065 -6.843 1.00 0.00 ATOM 593 CG2 VAL 78 1.013 -15.194 -4.553 1.00 0.00 ATOM 594 O VAL 78 -0.213 -11.592 -5.667 1.00 0.00 ATOM 595 C VAL 78 -0.371 -12.535 -6.431 1.00 0.00 ATOM 596 N LEU 79 -1.214 -12.542 -7.452 1.00 0.00 ATOM 597 CA LEU 79 -2.104 -11.378 -7.713 1.00 0.00 ATOM 598 CB LEU 79 -1.458 -10.435 -8.735 1.00 0.00 ATOM 599 CG LEU 79 -0.172 -9.744 -8.266 1.00 0.00 ATOM 600 CD1 LEU 79 0.468 -8.989 -9.423 1.00 0.00 ATOM 601 CD2 LEU 79 -0.493 -8.799 -7.117 1.00 0.00 ATOM 602 O LEU 79 -3.759 -12.399 -9.166 1.00 0.00 ATOM 603 C LEU 79 -3.538 -11.660 -8.215 1.00 0.00 ATOM 604 N VAL 80 -4.525 -11.198 -7.452 1.00 0.00 ATOM 605 CA VAL 80 -5.956 -11.263 -7.849 1.00 0.00 ATOM 606 CB VAL 80 -6.834 -11.817 -6.711 1.00 0.00 ATOM 607 CG1 VAL 80 -6.280 -13.141 -6.207 1.00 0.00 ATOM 608 CG2 VAL 80 -6.926 -10.813 -5.572 1.00 0.00 ATOM 609 O VAL 80 -6.106 -8.927 -7.444 1.00 0.00 ATOM 610 C VAL 80 -6.364 -9.841 -8.234 1.00 0.00 ATOM 611 N ASP 81 -6.971 -9.671 -9.403 1.00 0.00 ATOM 612 CA ASP 81 -7.417 -8.306 -9.764 1.00 0.00 ATOM 613 CB ASP 81 -6.954 -7.947 -11.179 1.00 0.00 ATOM 614 CG ASP 81 -7.115 -6.476 -11.539 1.00 0.00 ATOM 615 OD1 ASP 81 -8.202 -5.967 -11.405 1.00 0.00 ATOM 616 OD2 ASP 81 -6.122 -5.836 -11.792 1.00 0.00 ATOM 617 O ASP 81 -9.750 -9.036 -9.752 1.00 0.00 ATOM 618 C ASP 81 -8.937 -8.113 -9.678 1.00 0.00 ATOM 619 N ALA 82 -9.195 -6.987 -9.043 1.00 0.00 ATOM 620 CA ALA 82 -10.515 -6.448 -8.760 1.00 0.00 ATOM 621 CB ALA 82 -10.654 -6.656 -7.274 1.00 0.00 ATOM 622 O ALA 82 -9.892 -4.168 -8.310 1.00 0.00 ATOM 623 C ALA 82 -10.491 -4.939 -9.058 1.00 0.00 ATOM 624 N GLY 83 -11.241 -4.512 -10.070 1.00 0.00 ATOM 625 CA GLY 83 -11.263 -3.114 -10.527 1.00 0.00 ATOM 626 O GLY 83 -9.139 -3.228 -11.607 1.00 0.00 ATOM 627 C GLY 83 -9.854 -2.623 -10.824 1.00 0.00 ATOM 628 N ASP 84 -9.469 -1.523 -10.203 1.00 0.00 ATOM 629 CA ASP 84 -8.107 -1.001 -10.387 1.00 0.00 ATOM 630 CB ASP 84 -8.075 0.510 -10.149 1.00 0.00 ATOM 631 CG ASP 84 -8.758 1.332 -11.234 1.00 0.00 ATOM 632 OD1 ASP 84 -8.996 0.801 -12.293 1.00 0.00 ATOM 633 OD2 ASP 84 -9.175 2.429 -10.947 1.00 0.00 ATOM 634 O ASP 84 -5.952 -1.138 -9.355 1.00 0.00 ATOM 635 C ASP 84 -7.048 -1.661 -9.477 1.00 0.00 ATOM 636 N VAL 85 -7.434 -2.673 -8.728 1.00 0.00 ATOM 637 CA VAL 85 -6.535 -3.249 -7.716 1.00 0.00 ATOM 638 CB VAL 85 -7.222 -3.423 -6.348 1.00 0.00 ATOM 639 CG1 VAL 85 -6.258 -3.828 -5.225 1.00 0.00 ATOM 640 CG2 VAL 85 -7.843 -2.111 -5.915 1.00 0.00 ATOM 641 O VAL 85 -6.824 -5.477 -8.513 1.00 0.00 ATOM 642 C VAL 85 -6.040 -4.606 -8.177 1.00 0.00 ATOM 643 N VAL 86 -4.847 -4.840 -7.659 1.00 0.00 ATOM 644 CA VAL 86 -4.278 -6.174 -7.611 1.00 0.00 ATOM 645 CB VAL 86 -3.009 -6.278 -8.477 1.00 0.00 ATOM 646 CG1 VAL 86 -3.333 -5.982 -9.934 1.00 0.00 ATOM 647 CG2 VAL 86 -1.936 -5.327 -7.968 1.00 0.00 ATOM 648 O VAL 86 -3.232 -5.723 -5.505 1.00 0.00 ATOM 649 C VAL 86 -3.980 -6.466 -6.125 1.00 0.00 ATOM 650 N VAL 87 -4.374 -7.637 -5.644 1.00 0.00 ATOM 651 CA VAL 87 -4.105 -8.051 -4.251 1.00 0.00 ATOM 652 CB VAL 87 -5.403 -8.142 -3.427 1.00 0.00 ATOM 653 CG1 VAL 87 -5.105 -8.614 -2.012 1.00 0.00 ATOM 654 CG2 VAL 87 -6.114 -6.797 -3.400 1.00 0.00 ATOM 655 O VAL 87 -3.732 -10.309 -5.007 1.00 0.00 ATOM 656 C VAL 87 -3.392 -9.395 -4.263 1.00 0.00 ATOM 657 N HIS 88 -2.361 -9.510 -3.446 1.00 0.00 ATOM 658 CA HIS 88 -1.625 -10.789 -3.382 1.00 0.00 ATOM 659 CB HIS 88 -0.261 -10.596 -2.711 1.00 0.00 ATOM 660 CG HIS 88 0.784 -10.033 -3.622 1.00 0.00 ATOM 661 CD2 HIS 88 1.810 -10.625 -4.276 1.00 0.00 ATOM 662 ND1 HIS 88 0.842 -8.694 -3.950 1.00 0.00 ATOM 663 CE1 HIS 88 1.862 -8.489 -4.766 1.00 0.00 ATOM 664 NE2 HIS 88 2.464 -9.643 -4.979 1.00 0.00 ATOM 665 O HIS 88 -3.024 -11.619 -1.605 1.00 0.00 ATOM 666 C HIS 88 -2.407 -11.874 -2.638 1.00 0.00 ATOM 667 N VAL 89 -2.369 -13.084 -3.169 1.00 0.00 ATOM 668 CA VAL 89 -2.935 -14.249 -2.451 1.00 0.00 ATOM 669 CB VAL 89 -2.888 -15.523 -3.316 1.00 0.00 ATOM 670 CG1 VAL 89 -3.294 -16.739 -2.495 1.00 0.00 ATOM 671 CG2 VAL 89 -3.792 -15.377 -4.530 1.00 0.00 ATOM 672 O VAL 89 -2.728 -14.574 -0.077 1.00 0.00 ATOM 673 C VAL 89 -2.171 -14.478 -1.151 1.00 0.00 ATOM 674 N MET 90 -0.875 -14.532 -1.333 1.00 0.00 ATOM 675 CA MET 90 0.084 -14.818 -0.264 1.00 0.00 ATOM 676 CB MET 90 1.438 -14.941 -0.953 1.00 0.00 ATOM 677 CG MET 90 1.960 -13.574 -1.429 1.00 0.00 ATOM 678 SD MET 90 3.336 -13.502 -2.609 1.00 0.00 ATOM 679 CE MET 90 4.479 -14.334 -1.552 1.00 0.00 ATOM 680 O MET 90 0.267 -13.991 1.993 1.00 0.00 ATOM 681 C MET 90 0.127 -13.721 0.804 1.00 0.00 ATOM 682 N LEU 91 -0.090 -12.478 0.419 1.00 0.00 ATOM 683 CA LEU 91 0.181 -11.389 1.348 1.00 0.00 ATOM 684 CB LEU 91 -0.152 -10.041 0.697 1.00 0.00 ATOM 685 CG LEU 91 0.712 -8.861 1.160 1.00 0.00 ATOM 686 CD1 LEU 91 1.015 -7.941 -0.015 1.00 0.00 ATOM 687 CD2 LEU 91 -0.011 -8.104 2.265 1.00 0.00 ATOM 688 O LEU 91 0.091 -11.288 3.729 1.00 0.00 ATOM 689 C LEU 91 -0.571 -11.465 2.705 1.00 0.00 ATOM 690 N PRO 92 -1.878 -11.753 2.712 1.00 0.00 ATOM 691 CA PRO 92 -2.639 -11.932 3.962 1.00 0.00 ATOM 692 CB PRO 92 -4.085 -12.288 3.605 1.00 0.00 ATOM 693 CG PRO 92 -4.081 -12.497 2.103 1.00 0.00 ATOM 694 CD PRO 92 -2.798 -11.883 1.565 1.00 0.00 ATOM 695 O PRO 92 -2.530 -12.950 6.109 1.00 0.00 ATOM 696 C PRO 92 -2.143 -12.953 4.938 1.00 0.00 ATOM 697 N ALA 93 -1.418 -13.882 4.372 1.00 0.00 ATOM 698 CA ALA 93 -1.144 -15.144 5.047 1.00 0.00 ATOM 699 CB ALA 93 -1.049 -16.164 3.935 1.00 0.00 ATOM 700 O ALA 93 0.178 -15.781 6.946 1.00 0.00 ATOM 701 C ALA 93 0.092 -15.057 5.956 1.00 0.00 ATOM 702 N VAL 94 1.005 -14.149 5.634 1.00 0.00 ATOM 703 CA VAL 94 2.261 -13.965 6.403 1.00 0.00 ATOM 704 CB VAL 94 3.413 -14.725 5.702 1.00 0.00 ATOM 705 CG1 VAL 94 4.740 -14.701 6.448 1.00 0.00 ATOM 706 CG2 VAL 94 3.137 -16.212 5.604 1.00 0.00 ATOM 707 O VAL 94 2.461 -11.700 5.664 1.00 0.00 ATOM 708 C VAL 94 2.646 -12.493 6.575 1.00 0.00 ATOM 709 N ARG 95 3.434 -12.262 7.623 1.00 0.00 ATOM 710 CA ARG 95 4.219 -11.033 7.901 1.00 0.00 ATOM 711 CB ARG 95 4.868 -11.064 9.276 1.00 0.00 ATOM 712 CG ARG 95 5.637 -9.808 9.650 1.00 0.00 ATOM 713 CD ARG 95 6.337 -9.884 10.958 1.00 0.00 ATOM 714 NE ARG 95 7.419 -10.855 11.006 1.00 0.00 ATOM 715 CZ ARG 95 8.645 -10.661 10.483 1.00 0.00 ATOM 716 NH1 ARG 95 8.940 -9.552 9.840 1.00 0.00 ATOM 717 NH2 ARG 95 9.539 -11.625 10.612 1.00 0.00 ATOM 718 O ARG 95 5.344 -9.711 6.217 1.00 0.00 ATOM 719 C ARG 95 5.240 -10.788 6.805 1.00 0.00 ATOM 720 N ASP 96 5.979 -11.859 6.540 1.00 0.00 ATOM 721 CA ASP 96 7.031 -11.878 5.531 1.00 0.00 ATOM 722 CB ASP 96 7.782 -13.211 5.565 1.00 0.00 ATOM 723 CG ASP 96 8.701 -13.387 6.765 1.00 0.00 ATOM 724 OD1 ASP 96 8.949 -12.419 7.445 1.00 0.00 ATOM 725 OD2 ASP 96 9.021 -14.507 7.086 1.00 0.00 ATOM 726 O ASP 96 6.866 -10.796 3.436 1.00 0.00 ATOM 727 C ASP 96 6.409 -11.628 4.171 1.00 0.00 ATOM 728 N TYR 97 5.253 -12.205 3.905 1.00 0.00 ATOM 729 CA TYR 97 4.513 -11.917 2.662 1.00 0.00 ATOM 730 CB TYR 97 3.278 -12.793 2.527 1.00 0.00 ATOM 731 CG TYR 97 3.624 -14.279 2.406 1.00 0.00 ATOM 732 CD1 TYR 97 4.908 -14.679 2.070 1.00 0.00 ATOM 733 CD2 TYR 97 2.629 -15.212 2.583 1.00 0.00 ATOM 734 CE1 TYR 97 5.186 -16.016 1.934 1.00 0.00 ATOM 735 CE2 TYR 97 2.878 -16.542 2.401 1.00 0.00 ATOM 736 CZ TYR 97 4.159 -16.919 2.111 1.00 0.00 ATOM 737 OH TYR 97 4.411 -18.132 2.562 1.00 0.00 ATOM 738 O TYR 97 4.177 -9.889 1.466 1.00 0.00 ATOM 739 C TYR 97 4.100 -10.459 2.548 1.00 0.00 ATOM 740 N TYR 98 3.673 -9.928 3.682 1.00 0.00 ATOM 741 CA TYR 98 3.311 -8.509 3.790 1.00 0.00 ATOM 742 CB TYR 98 2.838 -8.184 5.208 1.00 0.00 ATOM 743 CG TYR 98 2.483 -6.728 5.418 1.00 0.00 ATOM 744 CD1 TYR 98 1.265 -6.222 4.990 1.00 0.00 ATOM 745 CD2 TYR 98 3.369 -5.864 6.045 1.00 0.00 ATOM 746 CE1 TYR 98 0.937 -4.893 5.178 1.00 0.00 ATOM 747 CE2 TYR 98 3.051 -4.534 6.239 1.00 0.00 ATOM 748 CZ TYR 98 1.833 -4.052 5.805 1.00 0.00 ATOM 749 OH TYR 98 1.512 -2.728 5.997 1.00 0.00 ATOM 750 O TYR 98 4.340 -6.740 2.485 1.00 0.00 ATOM 751 C TYR 98 4.444 -7.540 3.424 1.00 0.00 ATOM 752 N ASP 99 5.579 -7.866 3.995 1.00 0.00 ATOM 753 CA ASP 99 6.809 -7.113 3.769 1.00 0.00 ATOM 754 CB ASP 99 7.576 -7.077 5.089 1.00 0.00 ATOM 755 CG ASP 99 6.921 -6.201 6.153 1.00 0.00 ATOM 756 OD1 ASP 99 6.645 -5.027 5.826 1.00 0.00 ATOM 757 OD2 ASP 99 6.717 -6.714 7.273 1.00 0.00 ATOM 758 O ASP 99 8.126 -8.914 2.821 1.00 0.00 ATOM 759 C ASP 99 7.625 -7.820 2.689 1.00 0.00 ATOM 760 N ILE 100 7.847 -7.135 1.584 1.00 0.00 ATOM 761 CA ILE 100 8.562 -7.809 0.488 1.00 0.00 ATOM 762 CB ILE 100 7.650 -8.021 -0.729 1.00 0.00 ATOM 763 CG1 ILE 100 7.141 -6.676 -1.224 1.00 0.00 ATOM 764 CG2 ILE 100 6.486 -8.962 -0.373 1.00 0.00 ATOM 765 CD1 ILE 100 6.492 -6.804 -2.593 1.00 0.00 ATOM 766 O ILE 100 9.903 -5.843 0.375 1.00 0.00 ATOM 767 C ILE 100 9.828 -7.044 0.115 1.00 0.00 ATOM 768 N GLU 101 10.618 -7.667 -0.741 1.00 0.00 ATOM 769 CA GLU 101 11.824 -6.983 -1.240 1.00 0.00 ATOM 770 CB GLU 101 12.645 -7.923 -2.126 1.00 0.00 ATOM 771 CG GLU 101 13.336 -9.051 -1.373 1.00 0.00 ATOM 772 CD GLU 101 14.018 -10.001 -2.318 1.00 0.00 ATOM 773 OE1 GLU 101 13.891 -9.821 -3.505 1.00 0.00 ATOM 774 OE2 GLU 101 14.758 -10.838 -1.857 1.00 0.00 ATOM 775 O GLU 101 11.977 -4.637 -1.724 1.00 0.00 ATOM 776 C GLU 101 11.454 -5.712 -2.018 1.00 0.00 ATOM 777 N ALA 102 10.395 -5.803 -2.821 1.00 0.00 ATOM 778 CA ALA 102 9.917 -4.691 -3.664 1.00 0.00 ATOM 779 CB ALA 102 8.902 -5.191 -4.671 1.00 0.00 ATOM 780 O ALA 102 9.643 -2.377 -2.949 1.00 0.00 ATOM 781 C ALA 102 9.307 -3.548 -2.839 1.00 0.00 ATOM 782 N LEU 103 8.471 -3.919 -1.883 1.00 0.00 ATOM 783 CA LEU 103 7.886 -2.910 -0.987 1.00 0.00 ATOM 784 CB LEU 103 6.818 -3.537 -0.088 1.00 0.00 ATOM 785 CG LEU 103 6.141 -2.554 0.882 1.00 0.00 ATOM 786 CD1 LEU 103 5.468 -1.348 0.218 1.00 0.00 ATOM 787 CD2 LEU 103 5.247 -3.323 1.873 1.00 0.00 ATOM 788 O LEU 103 8.894 -1.015 0.096 1.00 0.00 ATOM 789 C LEU 103 8.957 -2.213 -0.135 1.00 0.00 ATOM 790 N TRP 104 9.995 -2.939 0.251 1.00 0.00 ATOM 791 CA TRP 104 11.074 -2.320 1.042 1.00 0.00 ATOM 792 CB TRP 104 12.043 -3.389 1.549 1.00 0.00 ATOM 793 CG TRP 104 11.458 -4.276 2.605 1.00 0.00 ATOM 794 CD1 TRP 104 10.285 -4.085 3.272 1.00 0.00 ATOM 795 CD2 TRP 104 12.017 -5.493 3.116 1.00 0.00 ATOM 796 CE2 TRP 104 11.127 -5.984 4.088 1.00 0.00 ATOM 797 CE3 TRP 104 13.185 -6.215 2.842 1.00 0.00 ATOM 798 NE1 TRP 104 10.077 -5.104 4.167 1.00 0.00 ATOM 799 CZ2 TRP 104 11.366 -7.156 4.789 1.00 0.00 ATOM 800 CZ3 TRP 104 13.423 -7.391 3.543 1.00 0.00 ATOM 801 CH2 TRP 104 12.539 -7.849 4.488 1.00 0.00 ATOM 802 O TRP 104 12.174 -0.195 0.723 1.00 0.00 ATOM 803 C TRP 104 11.832 -1.276 0.235 1.00 0.00 ATOM 804 N GLY 105 12.062 -1.605 -1.032 1.00 0.00 ATOM 805 CA GLY 105 12.713 -0.673 -1.960 1.00 0.00 ATOM 806 O GLY 105 12.529 1.649 -2.511 1.00 0.00 ATOM 807 C GLY 105 11.932 0.629 -2.158 1.00 0.00 ATOM 808 N GLY 106 10.618 0.512 -2.023 1.00 0.00 ATOM 809 CA GLY 106 9.682 1.611 -2.289 1.00 0.00 ATOM 810 O GLY 106 7.757 0.560 -1.389 1.00 0.00 ATOM 811 C GLY 106 8.419 1.586 -1.437 1.00 0.00 ATOM 812 N GLN 107 7.840 2.765 -1.296 1.00 0.00 ATOM 813 CA GLN 107 6.529 2.863 -0.628 1.00 0.00 ATOM 814 CB GLN 107 6.444 4.148 0.201 1.00 0.00 ATOM 815 CG GLN 107 7.488 4.250 1.299 1.00 0.00 ATOM 816 CD GLN 107 7.377 3.124 2.310 1.00 0.00 ATOM 817 OE1 GLN 107 6.287 2.819 2.802 1.00 0.00 ATOM 818 NE2 GLN 107 8.507 2.503 2.629 1.00 0.00 ATOM 819 O GLN 107 4.183 2.971 -1.216 1.00 0.00 ATOM 820 C GLN 107 5.343 2.832 -1.602 1.00 0.00 ATOM 821 N LYS 108 5.636 2.657 -2.887 1.00 0.00 ATOM 822 CA LYS 108 4.565 2.575 -3.880 1.00 0.00 ATOM 823 CB LYS 108 5.150 2.449 -5.288 1.00 0.00 ATOM 824 CG LYS 108 4.108 2.300 -6.390 1.00 0.00 ATOM 825 CD LYS 108 3.399 3.619 -6.661 1.00 0.00 ATOM 826 CE LYS 108 2.360 3.472 -7.763 1.00 0.00 ATOM 827 NZ LYS 108 1.618 4.740 -8.002 1.00 0.00 ATOM 828 O LYS 108 4.093 0.276 -3.284 1.00 0.00 ATOM 829 C LYS 108 3.639 1.390 -3.575 1.00 0.00 ATOM 830 N PRO 109 2.337 1.676 -3.563 1.00 0.00 ATOM 831 CA PRO 109 1.321 0.671 -3.273 1.00 0.00 ATOM 832 CB PRO 109 0.015 1.460 -3.174 1.00 0.00 ATOM 833 CG PRO 109 0.414 2.881 -2.819 1.00 0.00 ATOM 834 CD PRO 109 1.752 3.034 -3.525 1.00 0.00 ATOM 835 O PRO 109 1.320 -1.628 -3.927 1.00 0.00 ATOM 836 C PRO 109 1.299 -0.468 -4.307 1.00 0.00 ATOM 837 N SER 110 1.517 -0.231 -5.598 1.00 0.00 ATOM 838 CA SER 110 1.470 -1.355 -6.576 1.00 0.00 ATOM 839 CB SER 110 1.670 -0.829 -7.984 1.00 0.00 ATOM 840 OG SER 110 2.953 -0.299 -8.172 1.00 0.00 ATOM 841 O SER 110 2.336 -3.609 -6.739 1.00 0.00 ATOM 842 C SER 110 2.508 -2.469 -6.310 1.00 0.00 ATOM 843 N PHE 111 3.597 -2.111 -5.632 1.00 0.00 ATOM 844 CA PHE 111 4.646 -3.052 -5.195 1.00 0.00 ATOM 845 CB PHE 111 5.919 -2.293 -4.814 1.00 0.00 ATOM 846 CG PHE 111 6.595 -1.623 -5.976 1.00 0.00 ATOM 847 CD1 PHE 111 6.329 -2.022 -7.277 1.00 0.00 ATOM 848 CD2 PHE 111 7.499 -0.592 -5.771 1.00 0.00 ATOM 849 CE1 PHE 111 6.951 -1.405 -8.347 1.00 0.00 ATOM 850 CE2 PHE 111 8.121 0.027 -6.837 1.00 0.00 ATOM 851 CZ PHE 111 7.847 -0.381 -8.127 1.00 0.00 ATOM 852 O PHE 111 4.795 -4.960 -3.806 1.00 0.00 ATOM 853 C PHE 111 4.200 -3.915 -4.024 1.00 0.00 ATOM 854 N ALA 112 3.346 -3.381 -3.178 1.00 0.00 ATOM 855 CA ALA 112 2.788 -4.154 -2.070 1.00 0.00 ATOM 856 CB ALA 112 3.567 -3.939 -0.821 1.00 0.00 ATOM 857 O ALA 112 1.112 -2.462 -1.666 1.00 0.00 ATOM 858 C ALA 112 1.407 -3.645 -1.741 1.00 0.00 ATOM 859 N VAL 113 0.598 -4.621 -1.414 1.00 0.00 ATOM 860 CA VAL 113 -0.808 -4.329 -1.109 1.00 0.00 ATOM 861 CB VAL 113 -1.754 -4.931 -2.166 1.00 0.00 ATOM 862 CG1 VAL 113 -3.180 -4.454 -1.937 1.00 0.00 ATOM 863 CG2 VAL 113 -1.289 -4.562 -3.567 1.00 0.00 ATOM 864 O VAL 113 -0.175 -5.633 0.715 1.00 0.00 ATOM 865 C VAL 113 -1.050 -4.906 0.266 1.00 0.00 ATOM 866 N GLY 114 -2.072 -4.498 0.991 1.00 0.00 ATOM 867 CA GLY 114 -2.434 -5.259 2.181 1.00 0.00 ATOM 868 O GLY 114 -4.169 -6.417 0.916 1.00 0.00 ATOM 869 C GLY 114 -3.448 -6.363 1.905 1.00 0.00 ATOM 870 N ALA 115 -3.313 -7.398 2.705 1.00 0.00 ATOM 871 CA ALA 115 -4.188 -8.548 2.722 1.00 0.00 ATOM 872 CB ALA 115 -3.644 -9.097 3.995 1.00 0.00 ATOM 873 O ALA 115 -5.874 -7.385 4.014 1.00 0.00 ATOM 874 C ALA 115 -5.605 -8.086 3.042 1.00 0.00 ATOM 875 N ALA 116 -6.538 -8.660 2.310 1.00 0.00 ATOM 876 CA ALA 116 -7.933 -8.350 2.570 1.00 0.00 ATOM 877 CB ALA 116 -8.696 -8.654 1.295 1.00 0.00 ATOM 878 O ALA 116 -8.168 -10.278 4.024 1.00 0.00 ATOM 879 C ALA 116 -8.458 -9.106 3.800 1.00 0.00 ATOM 880 N LYS 117 -9.307 -8.422 4.552 1.00 0.00 ATOM 881 CA LYS 117 -10.172 -9.036 5.574 1.00 0.00 ATOM 882 CB LYS 117 -11.060 -7.977 6.230 1.00 0.00 ATOM 883 CG LYS 117 -11.964 -8.511 7.333 1.00 0.00 ATOM 884 CD LYS 117 -12.762 -7.390 7.985 1.00 0.00 ATOM 885 CE LYS 117 -13.695 -7.927 9.060 1.00 0.00 ATOM 886 NZ LYS 117 -14.485 -6.843 9.703 1.00 0.00 ATOM 887 O LYS 117 -11.030 -11.220 5.498 1.00 0.00 ATOM 888 C LYS 117 -11.018 -10.141 4.935 1.00 0.00 ATOM 889 N PRO 118 -11.625 -9.926 3.742 1.00 0.00 ATOM 890 CA PRO 118 -12.434 -10.955 3.074 1.00 0.00 ATOM 891 CB PRO 118 -13.397 -10.125 2.237 1.00 0.00 ATOM 892 CG PRO 118 -12.562 -8.944 1.750 1.00 0.00 ATOM 893 CD PRO 118 -11.757 -8.652 3.011 1.00 0.00 ATOM 894 O PRO 118 -12.147 -12.434 1.230 1.00 0.00 ATOM 895 C PRO 118 -11.614 -11.879 2.180 1.00 0.00 ATOM 896 N TRP 119 -10.344 -12.069 2.513 1.00 0.00 ATOM 897 CA TRP 119 -9.480 -13.016 1.785 1.00 0.00 ATOM 898 CB TRP 119 -8.082 -13.047 2.404 1.00 0.00 ATOM 899 CG TRP 119 -7.103 -13.878 1.631 1.00 0.00 ATOM 900 CD1 TRP 119 -6.860 -13.815 0.291 1.00 0.00 ATOM 901 CD2 TRP 119 -6.236 -14.895 2.150 1.00 0.00 ATOM 902 CE2 TRP 119 -5.497 -15.404 1.068 1.00 0.00 ATOM 903 CE3 TRP 119 -6.014 -15.422 3.428 1.00 0.00 ATOM 904 NE1 TRP 119 -5.897 -14.730 -0.058 1.00 0.00 ATOM 905 CZ2 TRP 119 -4.557 -16.412 1.219 1.00 0.00 ATOM 906 CZ3 TRP 119 -5.071 -16.431 3.580 1.00 0.00 ATOM 907 CH2 TRP 119 -4.363 -16.911 2.507 1.00 0.00 ATOM 908 O TRP 119 -10.138 -15.075 0.729 1.00 0.00 ATOM 909 C TRP 119 -10.087 -14.430 1.779 1.00 0.00 ATOM 910 N SER 120 -10.640 -14.817 2.924 1.00 0.00 ATOM 911 CA SER 120 -11.351 -16.094 3.050 1.00 0.00 ATOM 912 CB SER 120 -11.857 -16.273 4.469 1.00 0.00 ATOM 913 OG SER 120 -10.808 -16.415 5.387 1.00 0.00 ATOM 914 O SER 120 -12.589 -17.086 1.230 1.00 0.00 ATOM 915 C SER 120 -12.512 -16.173 2.050 1.00 0.00 ATOM 916 N ALA 121 -13.299 -15.099 2.040 1.00 0.00 ATOM 917 CA ALA 121 -14.436 -14.967 1.118 1.00 0.00 ATOM 918 CB ALA 121 -15.219 -13.683 1.403 1.00 0.00 ATOM 919 O ALA 121 -14.520 -15.765 -1.161 1.00 0.00 ATOM 920 C ALA 121 -13.993 -15.000 -0.354 1.00 0.00 ATOM 921 N VAL 122 -12.906 -14.310 -0.665 1.00 0.00 ATOM 922 CA VAL 122 -12.362 -14.268 -2.036 1.00 0.00 ATOM 923 CB VAL 122 -11.181 -13.285 -2.146 1.00 0.00 ATOM 924 CG1 VAL 122 -10.515 -13.403 -3.509 1.00 0.00 ATOM 925 CG2 VAL 122 -11.651 -11.859 -1.906 1.00 0.00 ATOM 926 O VAL 122 -12.228 -16.087 -3.587 1.00 0.00 ATOM 927 C VAL 122 -11.906 -15.654 -2.481 1.00 0.00 ATOM 928 N LEU 123 -11.177 -16.321 -1.579 1.00 0.00 ATOM 929 CA LEU 123 -10.651 -17.672 -1.842 1.00 0.00 ATOM 930 CB LEU 123 -9.828 -18.162 -0.644 1.00 0.00 ATOM 931 CG LEU 123 -8.491 -17.441 -0.432 1.00 0.00 ATOM 932 CD1 LEU 123 -7.861 -17.884 0.882 1.00 0.00 ATOM 933 CD2 LEU 123 -7.563 -17.734 -1.601 1.00 0.00 ATOM 934 O LEU 123 -11.679 -19.400 -3.139 1.00 0.00 ATOM 935 C LEU 123 -11.770 -18.676 -2.152 1.00 0.00 ATOM 936 N GLU 124 -12.842 -18.648 -1.365 1.00 0.00 ATOM 937 CA GLU 124 -13.991 -19.554 -1.580 1.00 0.00 ATOM 938 CB GLU 124 -15.049 -19.342 -0.496 1.00 0.00 ATOM 939 CG GLU 124 -14.645 -19.843 0.884 1.00 0.00 ATOM 940 CD GLU 124 -15.675 -19.484 1.918 1.00 0.00 ATOM 941 OE1 GLU 124 -16.618 -18.810 1.582 1.00 0.00 ATOM 942 OE2 GLU 124 -15.579 -19.977 3.018 1.00 0.00 ATOM 943 O GLU 124 -14.878 -20.294 -3.709 1.00 0.00 ATOM 944 C GLU 124 -14.619 -19.353 -2.968 1.00 0.00 ATOM 945 N HIS 125 -14.819 -18.085 -3.307 1.00 0.00 ATOM 946 CA HIS 125 -15.363 -17.671 -4.614 1.00 0.00 ATOM 947 CB HIS 125 -15.482 -16.146 -4.692 1.00 0.00 ATOM 948 CG HIS 125 -16.539 -15.578 -3.796 1.00 0.00 ATOM 949 CD2 HIS 125 -17.530 -16.177 -3.094 1.00 0.00 ATOM 950 ND1 HIS 125 -16.652 -14.226 -3.541 1.00 0.00 ATOM 951 CE1 HIS 125 -17.668 -14.020 -2.722 1.00 0.00 ATOM 952 NE2 HIS 125 -18.217 -15.187 -2.436 1.00 0.00 ATOM 953 O HIS 125 -15.043 -18.865 -6.672 1.00 0.00 ATOM 954 C HIS 125 -14.535 -18.159 -5.807 1.00 0.00 ATOM 955 N HIS 126 -13.232 -17.859 -5.735 1.00 0.00 ATOM 956 CA HIS 126 -12.267 -18.244 -6.771 1.00 0.00 ATOM 957 CB HIS 126 -10.867 -17.726 -6.427 1.00 0.00 ATOM 958 CG HIS 126 -10.734 -16.238 -6.528 1.00 0.00 ATOM 959 CD2 HIS 126 -11.550 -15.305 -7.073 1.00 0.00 ATOM 960 ND1 HIS 126 -9.649 -15.552 -6.025 1.00 0.00 ATOM 961 CE1 HIS 126 -9.803 -14.260 -6.257 1.00 0.00 ATOM 962 NE2 HIS 126 -10.948 -14.084 -6.892 1.00 0.00 ATOM 963 O HIS 126 -12.458 -20.198 -8.086 1.00 0.00 ATOM 964 C HIS 126 -12.217 -19.745 -6.970 1.00 0.00 ATOM 965 N HIS 127 -12.111 -20.421 -5.815 1.00 0.00 ATOM 966 CA HIS 127 -12.068 -21.888 -5.712 1.00 0.00 ATOM 967 CB HIS 127 -11.948 -22.325 -4.248 1.00 0.00 ATOM 968 CG HIS 127 -10.618 -22.014 -3.635 1.00 0.00 ATOM 969 CD2 HIS 127 -9.444 -21.641 -4.195 1.00 0.00 ATOM 970 ND1 HIS 127 -10.394 -22.075 -2.275 1.00 0.00 ATOM 971 CE1 HIS 127 -9.136 -21.753 -2.025 1.00 0.00 ATOM 972 NE2 HIS 127 -8.540 -21.485 -3.173 1.00 0.00 ATOM 973 O HIS 127 -13.183 -23.552 -6.950 1.00 0.00 ATOM 974 C HIS 127 -13.305 -22.501 -6.348 1.00 0.00 ATOM 975 N HIS 128 -14.455 -21.905 -6.111 1.00 0.00 ATOM 976 CA HIS 128 -15.733 -22.385 -6.673 1.00 0.00 ATOM 977 CB HIS 128 -16.911 -21.599 -6.087 1.00 0.00 ATOM 978 CG HIS 128 -17.168 -21.890 -4.641 1.00 0.00 ATOM 979 CD2 HIS 128 -16.706 -22.873 -3.833 1.00 0.00 ATOM 980 ND1 HIS 128 -17.996 -21.111 -3.862 1.00 0.00 ATOM 981 CE1 HIS 128 -18.033 -21.603 -2.636 1.00 0.00 ATOM 982 NE2 HIS 128 -17.259 -22.672 -2.593 1.00 0.00 ATOM 983 O HIS 128 -16.192 -23.157 -8.911 1.00 0.00 ATOM 984 C HIS 128 -15.717 -22.268 -8.204 1.00 0.00 ATOM 985 N HIS 129 -15.345 -21.082 -8.670 1.00 0.00 ATOM 986 CA HIS 129 -15.313 -20.796 -10.122 1.00 0.00 ATOM 987 CB HIS 129 -14.943 -19.331 -10.377 1.00 0.00 ATOM 988 CG HIS 129 -16.014 -18.363 -9.982 1.00 0.00 ATOM 989 CD2 HIS 129 -17.319 -18.552 -9.675 1.00 0.00 ATOM 990 ND1 HIS 129 -15.785 -17.007 -9.867 1.00 0.00 ATOM 991 CE1 HIS 129 -16.905 -16.405 -9.505 1.00 0.00 ATOM 992 NE2 HIS 129 -17.848 -17.320 -9.383 1.00 0.00 ATOM 993 O HIS 129 -14.692 -22.140 -11.983 1.00 0.00 ATOM 994 C HIS 129 -14.340 -21.697 -10.888 1.00 0.00 ATOM 995 N HIS 130 -13.159 -21.928 -10.320 1.00 0.00 ATOM 996 CA HIS 130 -12.201 -22.876 -10.917 1.00 0.00 ATOM 997 CB HIS 130 -10.818 -22.224 -11.084 1.00 0.00 ATOM 998 CG HIS 130 -10.907 -21.012 -12.004 1.00 0.00 ATOM 999 CD2 HIS 130 -10.779 -19.730 -11.690 1.00 0.00 ATOM 1000 ND1 HIS 130 -11.101 -21.092 -13.315 1.00 0.00 ATOM 1001 CE1 HIS 130 -11.119 -19.875 -13.826 1.00 0.00 ATOM 1002 NE2 HIS 130 -10.887 -19.036 -12.818 1.00 0.00 ATOM 1003 O HIS 130 -12.968 -24.440 -9.267 1.00 0.00 ATOM 1004 C HIS 130 -12.118 -24.212 -10.140 1.00 0.00 TER END