PFRMAT TS TARGET T0343 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 Wed Jul 12 21:40:52 PDT 2006 Kevin Karplus METHOD METHOD For this preliminary submission, I do not really know how the models METHOD were generated or selected, as no concise summary was generated, and METHOD the notes in the lab notebook README file were insufficient for me to METHOD figure out what was done. METHOD METHOD George apparently used an undocumented program "alphabetmatch" that METHOD does something to generate more distant fold recognition templates. METHOD Other than that, I can't figure out what he did. METHOD METHOD Model 1 is try2-opt2 METHOD METHOD Model 2 is try1-opt2, the fully automatic method. METHOD METHOD Model 3 is try5-opt2 METHOD METHOD Model 4 is try8-opt2 METHOD METHOD Model 5 is try7-opt2 METHOD REMARK 6 REMARK 6 T0343 model 4 Wed Jul 12 21:47:05 2006 MODEL 4 PARENT 1p90_A 2ap1_A 2bkr_A 2b49_A 1hq0_A REMARK 7 REMARK 7 ALLPARENTS 1p90_A 2ap1_A 2bkr_A 2b49_A 1hq0_A 1dc1_A 1yw5_A REMARK 7 ALLPARENTS 1ofu_X 3cla 1y74_A 1q8y_A 1k3s_A 2irf_G 1kte REMARK 7 ALLPARENTS 1awc_A 1kaf_A 1gmx_A 1ihn_A 1d0q_A 1dco_A 1dw0_A REMARK 7 ALLPARENTS 1f9m_A 1iib_A 1ytc 1l8r_A 1ccr 1vcb_B 1g2r_A REMARK 7 ALLPARENTS 1mfi_A 1gxq_A 1i8o_A 1irw 1ycc 2b4z_A 1ccr REMARK 7 ALLPARENTS 2b10_B 1ytc 2b11_B 5cyt_R 1ql3_A 1b0n_A 1co6_A REMARK 7 ALLPARENTS 1ppj_F 1bkr_A 1aa2 2b0z_B 1i8o_A 1k3s_A 3c2c REMARK 7 ALLPARENTS 1bcc_F 1qn2_A ATOM 1 N MET 1 -17.618 -20.302 -5.464 1.00 0.00 ATOM 2 CA MET 1 -17.161 -19.648 -6.676 1.00 0.00 ATOM 3 CB MET 1 -17.703 -20.370 -7.911 1.00 0.00 ATOM 4 CG MET 1 -17.103 -21.748 -8.140 1.00 0.00 ATOM 5 SD MET 1 -17.862 -22.617 -9.525 1.00 0.00 ATOM 6 CE MET 1 -17.286 -21.627 -10.901 1.00 0.00 ATOM 7 O MET 1 -16.816 -17.295 -7.057 1.00 0.00 ATOM 8 C MET 1 -17.602 -18.200 -6.756 1.00 0.00 ATOM 9 N THR 2 -18.873 -17.952 -6.489 1.00 0.00 ATOM 10 CA THR 2 -19.388 -16.587 -6.526 1.00 0.00 ATOM 11 CB THR 2 -20.905 -16.550 -6.265 1.00 0.00 ATOM 12 CG2 THR 2 -21.413 -15.117 -6.285 1.00 0.00 ATOM 13 OG1 THR 2 -21.586 -17.298 -7.279 1.00 0.00 ATOM 14 O THR 2 -18.364 -14.544 -5.788 1.00 0.00 ATOM 15 C THR 2 -18.702 -15.696 -5.498 1.00 0.00 ATOM 16 N TRP 3 -18.456 -16.249 -4.310 1.00 0.00 ATOM 17 CA TRP 3 -17.759 -15.511 -3.262 1.00 0.00 ATOM 18 CB TRP 3 -17.685 -16.344 -1.981 1.00 0.00 ATOM 19 CG TRP 3 -16.941 -15.669 -0.868 1.00 0.00 ATOM 20 CD1 TRP 3 -15.703 -15.992 -0.396 1.00 0.00 ATOM 21 CD2 TRP 3 -17.391 -14.554 -0.088 1.00 0.00 ATOM 22 CE2 TRP 3 -16.372 -14.256 0.839 1.00 0.00 ATOM 23 CE3 TRP 3 -18.554 -13.778 -0.081 1.00 0.00 ATOM 24 NE1 TRP 3 -15.350 -15.150 0.629 1.00 0.00 ATOM 25 CZ2 TRP 3 -16.481 -13.217 1.760 1.00 0.00 ATOM 26 CZ3 TRP 3 -18.658 -12.749 0.834 1.00 0.00 ATOM 27 CH2 TRP 3 -17.631 -12.475 1.743 1.00 0.00 ATOM 28 O TRP 3 -15.906 -14.012 -3.519 1.00 0.00 ATOM 29 C TRP 3 -16.331 -15.156 -3.682 1.00 0.00 ATOM 30 N ARG 4 -15.614 -16.129 -4.235 1.00 0.00 ATOM 31 CA ARG 4 -14.236 -15.893 -4.698 1.00 0.00 ATOM 32 CB ARG 4 -13.560 -17.156 -5.164 1.00 0.00 ATOM 33 CG ARG 4 -13.225 -18.063 -3.941 1.00 0.00 ATOM 34 CD ARG 4 -12.761 -19.449 -4.386 1.00 0.00 ATOM 35 NE ARG 4 -11.459 -19.307 -5.060 1.00 0.00 ATOM 36 CZ ARG 4 -10.893 -20.281 -5.758 1.00 0.00 ATOM 37 NH1 ARG 4 -11.520 -21.462 -5.857 1.00 0.00 ATOM 38 NH2 ARG 4 -9.711 -20.080 -6.397 1.00 0.00 ATOM 39 O ARG 4 -13.408 -13.959 -5.837 1.00 0.00 ATOM 40 C ARG 4 -14.221 -14.872 -5.827 1.00 0.00 ATOM 41 N GLU 5 -15.161 -15.016 -6.757 1.00 0.00 ATOM 42 CA GLU 5 -15.271 -14.057 -7.856 1.00 0.00 ATOM 43 CB GLU 5 -16.302 -14.530 -8.879 1.00 0.00 ATOM 44 CG GLU 5 -15.829 -15.780 -9.619 1.00 0.00 ATOM 45 CD GLU 5 -16.841 -16.324 -10.624 1.00 0.00 ATOM 46 OE1 GLU 5 -16.427 -17.146 -11.473 1.00 0.00 ATOM 47 OE2 GLU 5 -18.031 -15.936 -10.568 1.00 0.00 ATOM 48 O GLU 5 -15.077 -11.667 -7.874 1.00 0.00 ATOM 49 C GLU 5 -15.601 -12.654 -7.358 1.00 0.00 ATOM 50 N ILE 6 -16.451 -12.569 -6.337 1.00 0.00 ATOM 51 CA ILE 6 -16.783 -11.273 -5.744 1.00 0.00 ATOM 52 CB ILE 6 -17.950 -11.524 -4.721 1.00 0.00 ATOM 53 CG1 ILE 6 -19.222 -11.898 -5.500 1.00 0.00 ATOM 54 CG2 ILE 6 -18.169 -10.294 -3.845 1.00 0.00 ATOM 55 CD1 ILE 6 -20.362 -12.374 -4.584 1.00 0.00 ATOM 56 O ILE 6 -15.288 -9.469 -5.222 1.00 0.00 ATOM 57 C ILE 6 -15.545 -10.671 -5.076 1.00 0.00 ATOM 58 N LEU 7 -14.778 -11.481 -4.320 1.00 0.00 ATOM 59 CA LEU 7 -13.568 -10.974 -3.700 1.00 0.00 ATOM 60 CB LEU 7 -12.879 -12.082 -2.877 1.00 0.00 ATOM 61 CG LEU 7 -13.601 -12.515 -1.596 1.00 0.00 ATOM 62 CD1 LEU 7 -12.903 -13.709 -0.938 1.00 0.00 ATOM 63 CD2 LEU 7 -13.759 -11.366 -0.615 1.00 0.00 ATOM 64 O LEU 7 -12.071 -9.295 -4.592 1.00 0.00 ATOM 65 C LEU 7 -12.610 -10.386 -4.723 1.00 0.00 ATOM 66 N ARG 8 -12.454 -11.156 -5.799 1.00 0.00 ATOM 67 CA ARG 8 -11.557 -10.723 -6.852 1.00 0.00 ATOM 68 CB ARG 8 -11.370 -11.826 -7.917 1.00 0.00 ATOM 69 CG ARG 8 -10.523 -12.989 -7.404 1.00 0.00 ATOM 70 CD ARG 8 -10.530 -14.131 -8.416 1.00 0.00 ATOM 71 NE ARG 8 -9.849 -15.298 -7.872 1.00 0.00 ATOM 72 CZ ARG 8 -8.537 -15.503 -7.919 1.00 0.00 ATOM 73 NH1 ARG 8 -7.745 -14.621 -8.508 1.00 0.00 ATOM 74 NH2 ARG 8 -8.033 -16.613 -7.389 1.00 0.00 ATOM 75 O ARG 8 -11.215 -8.533 -7.797 1.00 0.00 ATOM 76 C ARG 8 -12.025 -9.413 -7.506 1.00 0.00 ATOM 77 N LYS 9 -13.332 -9.289 -7.744 1.00 0.00 ATOM 78 CA LYS 9 -13.881 -8.080 -8.348 1.00 0.00 ATOM 79 CB LYS 9 -15.365 -8.251 -8.681 1.00 0.00 ATOM 80 CG LYS 9 -15.597 -8.995 -9.979 1.00 0.00 ATOM 81 CD LYS 9 -17.067 -9.015 -10.378 1.00 0.00 ATOM 82 CE LYS 9 -17.286 -9.937 -11.572 1.00 0.00 ATOM 83 NZ LYS 9 -18.724 -10.281 -11.760 1.00 0.00 ATOM 84 O LYS 9 -13.549 -5.754 -8.002 1.00 0.00 ATOM 85 C LYS 9 -13.659 -6.861 -7.482 1.00 0.00 ATOM 86 N GLU 10 -13.587 -7.089 -6.160 1.00 0.00 ATOM 87 CA GLU 10 -13.263 -6.024 -5.218 1.00 0.00 ATOM 88 CB GLU 10 -14.366 -5.974 -4.161 1.00 0.00 ATOM 89 CG GLU 10 -15.721 -5.635 -4.827 1.00 0.00 ATOM 90 CD GLU 10 -16.980 -5.755 -3.960 1.00 0.00 ATOM 91 OE1 GLU 10 -17.195 -4.747 -3.191 1.00 0.00 ATOM 92 OE2 GLU 10 -17.704 -6.839 -4.114 1.00 0.00 ATOM 93 O GLU 10 -11.315 -5.079 -4.142 1.00 0.00 ATOM 94 C GLU 10 -11.748 -5.898 -4.957 1.00 0.00 ATOM 95 N GLY 11 -10.947 -6.704 -5.653 1.00 0.00 ATOM 96 CA GLY 11 -9.502 -6.675 -5.489 1.00 0.00 ATOM 97 O GLY 11 -7.692 -7.253 -4.043 1.00 0.00 ATOM 98 C GLY 11 -8.850 -7.492 -4.394 1.00 0.00 ATOM 99 N PHE 12 -9.564 -8.449 -3.840 1.00 0.00 ATOM 100 CA PHE 12 -9.065 -9.313 -2.783 1.00 0.00 ATOM 101 CB PHE 12 -10.111 -9.661 -1.718 1.00 0.00 ATOM 102 CG PHE 12 -10.486 -8.531 -0.799 1.00 0.00 ATOM 103 CD1 PHE 12 -11.630 -7.770 -1.038 1.00 0.00 ATOM 104 CD2 PHE 12 -9.720 -8.251 0.328 1.00 0.00 ATOM 105 CE1 PHE 12 -12.007 -6.751 -0.166 1.00 0.00 ATOM 106 CE2 PHE 12 -10.085 -7.234 1.212 1.00 0.00 ATOM 107 CZ PHE 12 -11.235 -6.481 0.964 1.00 0.00 ATOM 108 O PHE 12 -9.204 -11.150 -4.326 1.00 0.00 ATOM 109 C PHE 12 -8.553 -10.591 -3.435 1.00 0.00 ATOM 110 N LEU 13 -7.381 -11.038 -3.002 1.00 0.00 ATOM 111 CA LEU 13 -6.762 -12.237 -3.547 1.00 0.00 ATOM 112 CB LEU 13 -5.486 -11.882 -4.269 1.00 0.00 ATOM 113 CG LEU 13 -5.765 -10.926 -5.440 1.00 0.00 ATOM 114 CD1 LEU 13 -4.480 -10.700 -6.206 1.00 0.00 ATOM 115 CD2 LEU 13 -6.846 -11.495 -6.362 1.00 0.00 ATOM 116 O LEU 13 -6.206 -12.674 -1.262 1.00 0.00 ATOM 117 C LEU 13 -6.307 -13.124 -2.400 1.00 0.00 ATOM 118 N ASP 14 -6.025 -14.385 -2.698 1.00 0.00 ATOM 119 CA ASP 14 -5.608 -15.302 -1.653 1.00 0.00 ATOM 120 CB ASP 14 -6.005 -16.715 -2.013 1.00 0.00 ATOM 121 CG ASP 14 -6.059 -17.635 -0.830 1.00 0.00 ATOM 122 OD1 ASP 14 -4.987 -17.935 -0.241 1.00 0.00 ATOM 123 OD2 ASP 14 -7.134 -18.139 -0.428 1.00 0.00 ATOM 124 O ASP 14 -3.313 -15.355 -2.355 1.00 0.00 ATOM 125 C ASP 14 -4.108 -15.303 -1.415 1.00 0.00 ATOM 126 N LEU 15 -3.732 -15.227 -0.147 1.00 0.00 ATOM 127 CA LEU 15 -2.337 -15.263 0.249 1.00 0.00 ATOM 128 CB LEU 15 -1.858 -13.865 0.650 1.00 0.00 ATOM 129 CG LEU 15 -0.380 -13.819 1.059 1.00 0.00 ATOM 130 CD1 LEU 15 0.475 -14.380 -0.072 1.00 0.00 ATOM 131 CD2 LEU 15 0.037 -12.392 1.379 1.00 0.00 ATOM 132 O LEU 15 -2.753 -15.815 2.546 1.00 0.00 ATOM 133 C LEU 15 -2.263 -16.184 1.473 1.00 0.00 ATOM 134 N GLY 16 -1.688 -17.369 1.296 1.00 0.00 ATOM 135 CA GLY 16 -1.561 -18.339 2.385 1.00 0.00 ATOM 136 O GLY 16 -2.926 -18.699 4.333 1.00 0.00 ATOM 137 C GLY 16 -2.881 -18.629 3.108 1.00 0.00 ATOM 138 N GLU 17 -4.037 -18.842 2.339 1.00 0.00 ATOM 139 CA GLU 17 -5.321 -19.125 2.961 1.00 0.00 ATOM 140 CB GLU 17 -5.205 -20.206 4.033 1.00 0.00 ATOM 141 CG GLU 17 -4.353 -21.416 3.646 1.00 0.00 ATOM 142 CD GLU 17 -5.169 -22.607 3.188 1.00 0.00 ATOM 143 OE1 GLU 17 -5.980 -22.470 2.220 1.00 0.00 ATOM 144 OE2 GLU 17 -4.997 -23.695 3.802 1.00 0.00 ATOM 145 O GLU 17 -7.163 -18.099 4.086 1.00 0.00 ATOM 146 C GLU 17 -6.088 -17.938 3.508 1.00 0.00 ATOM 147 N PHE 18 -5.554 -16.736 3.321 1.00 0.00 ATOM 148 CA PHE 18 -6.225 -15.544 3.808 1.00 0.00 ATOM 149 CB PHE 18 -5.084 -14.648 4.514 1.00 0.00 ATOM 150 CG PHE 18 -4.459 -15.306 5.700 1.00 0.00 ATOM 151 CD1 PHE 18 -5.186 -15.490 6.882 1.00 0.00 ATOM 152 CD2 PHE 18 -3.098 -15.726 5.662 1.00 0.00 ATOM 153 CE1 PHE 18 -4.590 -16.058 8.014 1.00 0.00 ATOM 154 CE2 PHE 18 -2.489 -16.300 6.805 1.00 0.00 ATOM 155 CZ PHE 18 -3.216 -16.467 7.977 1.00 0.00 ATOM 156 O PHE 18 -6.039 -14.843 1.520 1.00 0.00 ATOM 157 C PHE 18 -6.536 -14.635 2.630 1.00 0.00 ATOM 158 N ILE 19 -7.413 -13.668 2.866 1.00 0.00 ATOM 159 CA ILE 19 -7.807 -12.721 1.835 1.00 0.00 ATOM 160 CB ILE 19 -9.308 -12.374 1.925 1.00 0.00 ATOM 161 CG1 ILE 19 -10.151 -13.650 1.996 1.00 0.00 ATOM 162 CG2 ILE 19 -9.711 -11.508 0.755 1.00 0.00 ATOM 163 CD1 ILE 19 -9.910 -14.619 0.877 1.00 0.00 ATOM 164 O ILE 19 -7.008 -10.900 3.174 1.00 0.00 ATOM 165 C ILE 19 -7.043 -11.421 2.059 1.00 0.00 ATOM 166 N VAL 20 -6.434 -10.919 1.033 1.00 0.00 ATOM 167 CA VAL 20 -5.679 -9.673 1.085 1.00 0.00 ATOM 168 CB VAL 20 -4.157 -9.924 0.948 1.00 0.00 ATOM 169 CG1 VAL 20 -3.667 -10.804 2.102 1.00 0.00 ATOM 170 CG2 VAL 20 -3.844 -10.566 -0.394 1.00 0.00 ATOM 171 O VAL 20 -6.483 -9.161 -1.114 1.00 0.00 ATOM 172 C VAL 20 -6.089 -8.726 -0.034 1.00 0.00 ATOM 173 N GLU 21 -5.920 -7.455 0.186 1.00 0.00 ATOM 174 CA GLU 21 -6.278 -6.452 -0.806 1.00 0.00 ATOM 175 CB GLU 21 -6.800 -5.201 -0.110 1.00 0.00 ATOM 176 CG GLU 21 -7.505 -4.217 -1.040 1.00 0.00 ATOM 177 CD GLU 21 -8.650 -3.487 -0.375 1.00 0.00 ATOM 178 OE1 GLU 21 -8.964 -3.793 0.799 1.00 0.00 ATOM 179 OE2 GLU 21 -9.246 -2.599 -1.019 1.00 0.00 ATOM 180 O GLU 21 -3.908 -6.153 -1.277 1.00 0.00 ATOM 181 C GLU 21 -5.087 -6.046 -1.668 1.00 0.00 ATOM 182 N LEU 22 -5.521 -5.567 -2.919 1.00 0.00 ATOM 183 CA LEU 22 -4.585 -5.014 -3.882 1.00 0.00 ATOM 184 CB LEU 22 -5.057 -5.196 -5.327 1.00 0.00 ATOM 185 CG LEU 22 -5.363 -6.630 -5.764 1.00 0.00 ATOM 186 CD1 LEU 22 -5.900 -6.655 -7.187 1.00 0.00 ATOM 187 CD2 LEU 22 -4.107 -7.486 -5.715 1.00 0.00 ATOM 188 O LEU 22 -5.115 -2.712 -3.317 1.00 0.00 ATOM 189 C LEU 22 -4.260 -3.543 -3.667 1.00 0.00 ATOM 190 N VAL 23 -3.048 -3.188 -3.734 1.00 0.00 ATOM 191 CA VAL 23 -2.528 -1.853 -3.542 1.00 0.00 ATOM 192 CB VAL 23 -0.989 -1.823 -3.340 1.00 0.00 ATOM 193 CG1 VAL 23 -0.484 -0.376 -3.196 1.00 0.00 ATOM 194 CG2 VAL 23 -0.538 -2.708 -2.196 1.00 0.00 ATOM 195 O VAL 23 -2.733 -1.120 -5.819 1.00 0.00 ATOM 196 C VAL 23 -3.013 -0.889 -4.641 1.00 0.00 ATOM 197 N TYR 24 -3.554 0.263 -4.215 1.00 0.00 ATOM 198 CA TYR 24 -3.930 1.285 -5.193 1.00 0.00 ATOM 199 CB TYR 24 -4.903 2.251 -4.699 1.00 0.00 ATOM 200 CG TYR 24 -6.193 1.609 -4.286 1.00 0.00 ATOM 201 CD1 TYR 24 -6.488 1.389 -2.944 1.00 0.00 ATOM 202 CD2 TYR 24 -7.112 1.193 -5.244 1.00 0.00 ATOM 203 CE1 TYR 24 -7.666 0.766 -2.569 1.00 0.00 ATOM 204 CE2 TYR 24 -8.289 0.567 -4.882 1.00 0.00 ATOM 205 CZ TYR 24 -8.559 0.353 -3.546 1.00 0.00 ATOM 206 OH TYR 24 -9.712 -0.301 -3.193 1.00 0.00 ATOM 207 O TYR 24 -2.828 2.611 -6.840 1.00 0.00 ATOM 208 C TYR 24 -2.706 1.971 -5.798 1.00 0.00 ATOM 209 N ILE 25 -1.523 1.520 -5.176 1.00 0.00 ATOM 210 CA ILE 25 -0.298 2.033 -5.724 1.00 0.00 ATOM 211 CB ILE 25 0.741 2.353 -4.615 1.00 0.00 ATOM 212 CG1 ILE 25 0.180 3.490 -3.697 1.00 0.00 ATOM 213 CG2 ILE 25 2.049 2.815 -5.253 1.00 0.00 ATOM 214 CD1 ILE 25 0.980 3.753 -2.467 1.00 0.00 ATOM 215 O ILE 25 0.736 1.552 -7.823 1.00 0.00 ATOM 216 C ILE 25 0.346 1.090 -6.766 1.00 0.00 ATOM 217 N ASP 26 0.502 -0.195 -6.414 1.00 0.00 ATOM 218 CA ASP 26 1.236 -1.122 -7.254 1.00 0.00 ATOM 219 CB ASP 26 2.634 -1.359 -6.407 1.00 0.00 ATOM 220 CG ASP 26 3.604 -2.268 -7.191 1.00 0.00 ATOM 221 OD1 ASP 26 3.992 -1.851 -8.301 1.00 0.00 ATOM 222 OD2 ASP 26 3.922 -3.379 -6.703 1.00 0.00 ATOM 223 O ASP 26 0.869 -2.891 -8.779 1.00 0.00 ATOM 224 C ASP 26 0.352 -2.070 -8.000 1.00 0.00 ATOM 225 N CYS 27 -0.975 -2.120 -7.575 1.00 0.00 ATOM 226 CA CYS 27 -1.911 -3.116 -8.095 1.00 0.00 ATOM 227 CB CYS 27 -1.990 -3.034 -9.620 1.00 0.00 ATOM 228 SG CYS 27 -2.372 -1.387 -10.261 1.00 0.00 ATOM 229 O CYS 27 -2.145 -5.445 -8.221 1.00 0.00 ATOM 230 C CYS 27 -1.546 -4.527 -7.708 1.00 0.00 ATOM 231 N PRO 28 -0.669 -4.756 -6.760 1.00 0.00 ATOM 232 CA PRO 28 -0.297 -6.058 -6.277 1.00 0.00 ATOM 233 CB PRO 28 1.190 -5.900 -5.954 1.00 0.00 ATOM 234 CG PRO 28 1.313 -4.511 -5.428 1.00 0.00 ATOM 235 CD PRO 28 0.337 -3.680 -6.211 1.00 0.00 ATOM 236 O PRO 28 -1.561 -5.611 -4.283 1.00 0.00 ATOM 237 C PRO 28 -1.091 -6.445 -5.051 1.00 0.00 ATOM 238 N CYS 29 -1.196 -7.781 -4.816 1.00 0.00 ATOM 239 CA CYS 29 -1.737 -8.369 -3.623 1.00 0.00 ATOM 240 CB CYS 29 -1.827 -9.873 -3.692 1.00 0.00 ATOM 241 SG CYS 29 -2.643 -10.693 -2.268 1.00 0.00 ATOM 242 O CYS 29 0.419 -8.147 -2.647 1.00 0.00 ATOM 243 C CYS 29 -0.763 -8.015 -2.496 1.00 0.00 ATOM 244 N GLU 30 -1.322 -7.598 -1.379 1.00 0.00 ATOM 245 CA GLU 30 -0.560 -7.332 -0.168 1.00 0.00 ATOM 246 CB GLU 30 -0.967 -5.988 0.448 1.00 0.00 ATOM 247 CG GLU 30 -0.007 -5.468 1.544 1.00 0.00 ATOM 248 CD GLU 30 1.429 -5.210 1.021 1.00 0.00 ATOM 249 OE1 GLU 30 2.420 -5.547 1.731 1.00 0.00 ATOM 250 OE2 GLU 30 1.601 -4.689 -0.116 1.00 0.00 ATOM 251 O GLU 30 -1.737 -8.819 1.267 1.00 0.00 ATOM 252 C GLU 30 -0.637 -8.417 0.895 1.00 0.00 ATOM 253 N PRO 31 0.507 -8.904 1.409 1.00 0.00 ATOM 254 CA PRO 31 0.485 -9.920 2.475 1.00 0.00 ATOM 255 CB PRO 31 1.970 -10.282 2.662 1.00 0.00 ATOM 256 CG PRO 31 2.664 -9.756 1.407 1.00 0.00 ATOM 257 CD PRO 31 1.859 -8.597 0.925 1.00 0.00 ATOM 258 O PRO 31 -0.284 -8.114 3.845 1.00 0.00 ATOM 259 C PRO 31 -0.265 -9.333 3.667 1.00 0.00 ATOM 260 N ILE 32 -0.940 -10.180 4.443 1.00 0.00 ATOM 261 CA ILE 32 -1.700 -9.736 5.610 1.00 0.00 ATOM 262 CB ILE 32 -2.322 -10.964 6.318 1.00 0.00 ATOM 263 CG1 ILE 32 -3.384 -11.620 5.453 1.00 0.00 ATOM 264 CG2 ILE 32 -2.927 -10.558 7.677 1.00 0.00 ATOM 265 CD1 ILE 32 -4.609 -10.729 5.190 1.00 0.00 ATOM 266 O ILE 32 -1.230 -7.881 7.116 1.00 0.00 ATOM 267 C ILE 32 -0.854 -8.951 6.584 1.00 0.00 ATOM 268 N PRO 33 0.374 -9.460 6.814 1.00 0.00 ATOM 269 CA PRO 33 1.241 -8.752 7.765 1.00 0.00 ATOM 270 CB PRO 33 2.520 -9.592 7.795 1.00 0.00 ATOM 271 CG PRO 33 2.073 -10.966 7.427 1.00 0.00 ATOM 272 CD PRO 33 0.993 -10.791 6.396 1.00 0.00 ATOM 273 O PRO 33 1.966 -6.509 8.114 1.00 0.00 ATOM 274 C PRO 33 1.531 -7.331 7.314 1.00 0.00 ATOM 275 N PRO 34 1.609 -6.813 5.815 1.00 0.00 ATOM 276 CA PRO 34 1.994 -5.549 5.222 1.00 0.00 ATOM 277 CB PRO 34 3.189 -6.008 4.303 1.00 0.00 ATOM 278 CG PRO 34 2.928 -7.460 4.055 1.00 0.00 ATOM 279 CD PRO 34 2.353 -7.969 5.342 1.00 0.00 ATOM 280 O PRO 34 1.009 -3.525 4.423 1.00 0.00 ATOM 281 C PRO 34 0.816 -4.627 4.939 1.00 0.00 ATOM 282 N THR 35 -0.406 -5.015 5.297 1.00 0.00 ATOM 283 CA THR 35 -1.528 -4.199 4.929 1.00 0.00 ATOM 284 CB THR 35 -2.861 -4.946 5.120 1.00 0.00 ATOM 285 CG2 THR 35 -4.031 -4.059 4.720 1.00 0.00 ATOM 286 OG1 THR 35 -2.873 -6.124 4.304 1.00 0.00 ATOM 287 O THR 35 -1.649 -2.988 6.980 1.00 0.00 ATOM 288 C THR 35 -1.682 -2.916 5.744 1.00 0.00 ATOM 289 N LEU 36 -1.819 -1.812 5.063 1.00 0.00 ATOM 290 CA LEU 36 -2.099 -0.520 5.673 1.00 0.00 ATOM 291 CB LEU 36 -0.892 0.404 5.498 1.00 0.00 ATOM 292 CG LEU 36 -1.043 1.827 6.039 1.00 0.00 ATOM 293 CD1 LEU 36 -1.148 1.816 7.556 1.00 0.00 ATOM 294 CD2 LEU 36 0.156 2.680 5.652 1.00 0.00 ATOM 295 O LEU 36 -3.367 0.301 3.782 1.00 0.00 ATOM 296 C LEU 36 -3.318 0.105 5.000 1.00 0.00 ATOM 297 N ALA 37 -4.285 0.511 5.856 1.00 0.00 ATOM 298 CA ALA 37 -5.507 1.140 5.393 1.00 0.00 ATOM 299 CB ALA 37 -6.700 0.628 6.186 1.00 0.00 ATOM 300 O ALA 37 -5.091 3.196 6.514 1.00 0.00 ATOM 301 C ALA 37 -5.503 2.654 5.494 1.00 0.00 ATOM 302 N ILE 38 -5.935 3.352 4.428 1.00 0.00 ATOM 303 CA ILE 38 -6.095 4.809 4.428 1.00 0.00 ATOM 304 CB ILE 38 -5.302 5.479 3.290 1.00 0.00 ATOM 305 CG1 ILE 38 -3.813 5.152 3.413 1.00 0.00 ATOM 306 CG2 ILE 38 -5.470 6.990 3.343 1.00 0.00 ATOM 307 CD1 ILE 38 -3.189 5.624 4.708 1.00 0.00 ATOM 308 O ILE 38 -8.205 4.248 3.451 1.00 0.00 ATOM 309 C ILE 38 -7.605 5.025 4.228 1.00 0.00 ATOM 310 N TYR 39 -8.208 5.892 5.009 1.00 0.00 ATOM 311 CA TYR 39 -9.658 6.081 4.962 1.00 0.00 ATOM 312 CB TYR 39 -10.323 5.678 6.303 1.00 0.00 ATOM 313 CG TYR 39 -10.475 4.199 6.552 1.00 0.00 ATOM 314 CD1 TYR 39 -9.375 3.407 6.867 1.00 0.00 ATOM 315 CD2 TYR 39 -11.730 3.594 6.479 1.00 0.00 ATOM 316 CE1 TYR 39 -9.520 2.042 7.108 1.00 0.00 ATOM 317 CE2 TYR 39 -11.888 2.233 6.716 1.00 0.00 ATOM 318 CZ TYR 39 -10.779 1.464 7.030 1.00 0.00 ATOM 319 OH TYR 39 -10.933 0.120 7.261 1.00 0.00 ATOM 320 O TYR 39 -9.460 8.431 5.235 1.00 0.00 ATOM 321 C TYR 39 -10.034 7.507 4.650 1.00 0.00 ATOM 322 N ASP 40 -11.038 7.698 3.834 1.00 0.00 ATOM 323 CA ASP 40 -11.661 8.993 3.567 1.00 0.00 ATOM 324 CB ASP 40 -11.980 9.186 2.136 1.00 0.00 ATOM 325 CG ASP 40 -12.921 10.357 1.921 1.00 0.00 ATOM 326 OD1 ASP 40 -13.230 11.143 2.845 1.00 0.00 ATOM 327 OD2 ASP 40 -13.418 10.487 0.756 1.00 0.00 ATOM 328 O ASP 40 -13.875 8.082 3.762 1.00 0.00 ATOM 329 C ASP 40 -13.088 8.974 4.077 1.00 0.00 ATOM 330 N LYS 41 -13.448 9.907 4.964 1.00 0.00 ATOM 331 CA LYS 41 -14.807 9.971 5.514 1.00 0.00 ATOM 332 CB LYS 41 -14.892 11.025 6.599 1.00 0.00 ATOM 333 CG LYS 41 -14.334 10.517 7.897 1.00 0.00 ATOM 334 CD LYS 41 -14.485 11.560 9.008 1.00 0.00 ATOM 335 CE LYS 41 -13.534 11.282 10.170 1.00 0.00 ATOM 336 NZ LYS 41 -13.900 12.099 11.381 1.00 0.00 ATOM 337 O LYS 41 -15.181 11.618 3.737 1.00 0.00 ATOM 338 C LYS 41 -15.632 10.910 4.647 1.00 0.00 ATOM 339 N LYS 42 -16.930 11.030 4.992 1.00 0.00 ATOM 340 CA LYS 42 -17.878 11.847 4.247 1.00 0.00 ATOM 341 CB LYS 42 -19.304 11.595 4.741 1.00 0.00 ATOM 342 CG LYS 42 -19.835 10.206 4.427 1.00 0.00 ATOM 343 CD LYS 42 -21.240 10.016 4.973 1.00 0.00 ATOM 344 CE LYS 42 -21.784 8.639 4.630 1.00 0.00 ATOM 345 NZ LYS 42 -23.155 8.431 5.171 1.00 0.00 ATOM 346 O LYS 42 -18.084 14.172 3.515 1.00 0.00 ATOM 347 C LYS 42 -17.644 13.346 4.328 1.00 0.00 ATOM 348 N GLY 43 -16.905 13.701 5.390 1.00 0.00 ATOM 349 CA GLY 43 -16.524 15.089 5.631 1.00 0.00 ATOM 350 O GLY 43 -14.317 16.022 5.736 1.00 0.00 ATOM 351 C GLY 43 -15.119 15.321 5.122 1.00 0.00 ATOM 352 N ASP 44 -14.839 14.645 3.893 1.00 0.00 ATOM 353 CA ASP 44 -13.591 14.931 3.201 1.00 0.00 ATOM 354 CB ASP 44 -13.679 16.357 2.655 1.00 0.00 ATOM 355 CG ASP 44 -14.891 16.568 1.766 1.00 0.00 ATOM 356 OD1 ASP 44 -15.131 15.721 0.880 1.00 0.00 ATOM 357 OD2 ASP 44 -15.599 17.579 1.959 1.00 0.00 ATOM 358 O ASP 44 -11.241 15.261 3.463 1.00 0.00 ATOM 359 C ASP 44 -12.279 14.796 3.932 1.00 0.00 ATOM 360 N GLU 45 -12.286 14.232 5.135 1.00 0.00 ATOM 361 CA GLU 45 -11.055 14.005 5.882 1.00 0.00 ATOM 362 CB GLU 45 -11.354 13.972 7.382 1.00 0.00 ATOM 363 CG GLU 45 -11.937 15.267 7.927 1.00 0.00 ATOM 364 CD GLU 45 -12.211 15.200 9.416 1.00 0.00 ATOM 365 OE1 GLU 45 -11.977 14.129 10.017 1.00 0.00 ATOM 366 OE2 GLU 45 -12.660 16.217 9.984 1.00 0.00 ATOM 367 O GLU 45 -11.117 11.703 5.206 1.00 0.00 ATOM 368 C GLU 45 -10.411 12.684 5.475 1.00 0.00 ATOM 369 N TRP 46 -9.014 12.711 5.297 1.00 0.00 ATOM 370 CA TRP 46 -8.280 11.519 4.898 1.00 0.00 ATOM 371 CB TRP 46 -7.506 11.771 3.618 1.00 0.00 ATOM 372 CG TRP 46 -8.395 11.926 2.445 1.00 0.00 ATOM 373 CD1 TRP 46 -8.954 13.105 1.958 1.00 0.00 ATOM 374 CD2 TRP 46 -8.881 10.883 1.597 1.00 0.00 ATOM 375 CE2 TRP 46 -9.701 11.487 0.601 1.00 0.00 ATOM 376 CE3 TRP 46 -8.699 9.486 1.556 1.00 0.00 ATOM 377 NE1 TRP 46 -9.728 12.840 0.845 1.00 0.00 ATOM 378 CZ2 TRP 46 -10.319 10.750 -0.395 1.00 0.00 ATOM 379 CZ3 TRP 46 -9.335 8.758 0.571 1.00 0.00 ATOM 380 CH2 TRP 46 -10.142 9.391 -0.394 1.00 0.00 ATOM 381 O TRP 46 -6.568 12.095 6.469 1.00 0.00 ATOM 382 C TRP 46 -7.324 11.198 6.037 1.00 0.00 ATOM 383 N TYR 47 -7.292 9.940 6.478 1.00 0.00 ATOM 384 CA TYR 47 -6.412 9.578 7.598 1.00 0.00 ATOM 385 CB TYR 47 -7.139 9.764 8.932 1.00 0.00 ATOM 386 CG TYR 47 -8.336 8.859 9.108 1.00 0.00 ATOM 387 CD1 TYR 47 -8.207 7.616 9.713 1.00 0.00 ATOM 388 CD2 TYR 47 -9.595 9.252 8.668 1.00 0.00 ATOM 389 CE1 TYR 47 -9.296 6.782 9.877 1.00 0.00 ATOM 390 CE2 TYR 47 -10.695 8.431 8.825 1.00 0.00 ATOM 391 CZ TYR 47 -10.538 7.188 9.435 1.00 0.00 ATOM 392 OH TYR 47 -11.624 6.360 9.598 1.00 0.00 ATOM 393 O TYR 47 -6.605 7.313 6.802 1.00 0.00 ATOM 394 C TYR 47 -6.003 8.122 7.478 1.00 0.00 ATOM 395 N LYS 48 -4.917 7.816 8.209 1.00 0.00 ATOM 396 CA LYS 48 -4.415 6.484 8.279 1.00 0.00 ATOM 397 CB LYS 48 -3.228 6.559 9.180 1.00 0.00 ATOM 398 CG LYS 48 -2.092 6.145 8.254 1.00 0.00 ATOM 399 CD LYS 48 -0.792 5.978 9.025 1.00 0.00 ATOM 400 CE LYS 48 -0.981 5.080 10.267 1.00 0.00 ATOM 401 NZ LYS 48 0.294 4.482 10.856 1.00 0.00 ATOM 402 O LYS 48 -5.571 6.268 10.342 1.00 0.00 ATOM 403 C LYS 48 -5.259 5.698 9.266 1.00 0.00 ATOM 404 N VAL 49 -5.643 4.478 9.003 1.00 0.00 ATOM 405 CA VAL 49 -6.479 3.668 9.890 1.00 0.00 ATOM 406 CB VAL 49 -7.826 3.308 9.234 1.00 0.00 ATOM 407 CG1 VAL 49 -8.726 2.588 10.227 1.00 0.00 ATOM 408 CG2 VAL 49 -8.540 4.564 8.762 1.00 0.00 ATOM 409 O VAL 49 -5.707 1.432 9.440 1.00 0.00 ATOM 410 C VAL 49 -5.678 2.413 10.169 1.00 0.00 ATOM 411 N GLU 50 -4.917 2.403 11.270 1.00 0.00 ATOM 412 CA GLU 50 -4.112 1.257 11.629 1.00 0.00 ATOM 413 CB GLU 50 -3.191 1.591 12.805 1.00 0.00 ATOM 414 CG GLU 50 -2.013 2.479 12.435 1.00 0.00 ATOM 415 CD GLU 50 -1.177 2.864 13.639 1.00 0.00 ATOM 416 OE1 GLU 50 -1.557 2.497 14.770 1.00 0.00 ATOM 417 OE2 GLU 50 -0.140 3.536 13.452 1.00 0.00 ATOM 418 O GLU 50 -4.558 -1.106 11.509 1.00 0.00 ATOM 419 C GLU 50 -4.916 -0.007 11.941 1.00 0.00 ATOM 420 N GLU 51 -6.039 0.109 12.633 1.00 0.00 ATOM 421 CA GLU 51 -6.894 -1.018 13.000 1.00 0.00 ATOM 422 CB GLU 51 -7.617 -0.570 14.329 1.00 0.00 ATOM 423 CG GLU 51 -6.658 -0.339 15.486 1.00 0.00 ATOM 424 CD GLU 51 -5.677 -1.499 15.686 1.00 0.00 ATOM 425 OE1 GLU 51 -6.135 -2.668 15.610 1.00 0.00 ATOM 426 OE2 GLU 51 -4.527 -1.274 16.122 1.00 0.00 ATOM 427 O GLU 51 -8.278 -2.759 12.073 1.00 0.00 ATOM 428 C GLU 51 -7.800 -1.624 11.939 1.00 0.00 ATOM 429 N ALA 52 -8.278 -0.671 10.759 1.00 0.00 ATOM 430 CA ALA 52 -9.053 -1.204 9.630 1.00 0.00 ATOM 431 CB ALA 52 -8.652 -2.630 9.282 1.00 0.00 ATOM 432 O ALA 52 -11.371 -1.661 9.021 1.00 0.00 ATOM 433 C ALA 52 -10.551 -1.245 9.848 1.00 0.00 ATOM 434 N PRO 53 -11.025 -0.627 10.935 1.00 0.00 ATOM 435 CA PRO 53 -12.431 -0.713 11.334 1.00 0.00 ATOM 436 CB PRO 53 -12.411 -0.504 12.819 1.00 0.00 ATOM 437 CG PRO 53 -11.279 0.429 13.007 1.00 0.00 ATOM 438 CD PRO 53 -10.209 -0.079 12.055 1.00 0.00 ATOM 439 O PRO 53 -14.509 0.362 10.794 1.00 0.00 ATOM 440 C PRO 53 -13.321 0.204 10.501 1.00 0.00 ATOM 441 N ASN 54 -12.727 0.865 9.515 1.00 0.00 ATOM 442 CA ASN 54 -13.460 1.779 8.641 1.00 0.00 ATOM 443 CB ASN 54 -14.583 1.014 7.903 1.00 0.00 ATOM 444 CG ASN 54 -14.091 -0.108 7.009 1.00 0.00 ATOM 445 ND2 ASN 54 -14.433 -1.341 7.362 1.00 0.00 ATOM 446 OD1 ASN 54 -13.401 0.133 6.018 1.00 0.00 ATOM 447 O ASN 54 -15.185 3.395 9.070 1.00 0.00 ATOM 448 C ASN 54 -14.081 2.952 9.394 1.00 0.00 ATOM 449 N VAL 55 -15.931 4.719 6.738 1.00 0.00 ATOM 450 CA VAL 55 -15.517 5.702 5.707 1.00 0.00 ATOM 451 CB VAL 55 -14.356 6.585 6.203 1.00 0.00 ATOM 452 CG1 VAL 55 -14.782 7.385 7.426 1.00 0.00 ATOM 453 CG2 VAL 55 -13.159 5.728 6.582 1.00 0.00 ATOM 454 O VAL 55 -15.349 3.569 4.521 1.00 0.00 ATOM 455 C VAL 55 -15.119 4.780 4.559 1.00 0.00 ATOM 456 N GLN 56 -14.572 5.358 3.512 1.00 0.00 ATOM 457 CA GLN 56 -14.146 4.659 2.322 1.00 0.00 ATOM 458 CB GLN 56 -14.301 5.549 1.087 1.00 0.00 ATOM 459 CG GLN 56 -15.738 5.926 0.771 1.00 0.00 ATOM 460 CD GLN 56 -16.587 4.728 0.395 1.00 0.00 ATOM 461 OE1 GLN 56 -16.188 3.909 -0.432 1.00 0.00 ATOM 462 NE2 GLN 56 -17.762 4.622 1.005 1.00 0.00 ATOM 463 O GLN 56 -11.802 5.105 2.756 1.00 0.00 ATOM 464 C GLN 56 -12.659 4.280 2.509 1.00 0.00 ATOM 465 N ASN 57 -12.292 2.933 2.337 1.00 0.00 ATOM 466 CA ASN 57 -10.937 2.472 2.534 1.00 0.00 ATOM 467 CB ASN 57 -10.918 1.211 3.455 1.00 0.00 ATOM 468 CG ASN 57 -11.531 -0.031 2.756 1.00 0.00 ATOM 469 ND2 ASN 57 -12.802 -0.279 3.005 1.00 0.00 ATOM 470 OD1 ASN 57 -10.853 -0.753 2.016 1.00 0.00 ATOM 471 O ASN 57 -10.690 1.854 0.225 1.00 0.00 ATOM 472 C ASN 57 -10.176 2.287 1.234 1.00 0.00 ATOM 473 N TYR 58 -8.877 2.550 1.279 1.00 0.00 ATOM 474 CA TYR 58 -7.924 2.298 0.190 1.00 0.00 ATOM 475 CB TYR 58 -7.515 3.597 -0.490 1.00 0.00 ATOM 476 CG TYR 58 -8.640 4.277 -1.246 1.00 0.00 ATOM 477 CD1 TYR 58 -9.143 5.499 -0.838 1.00 0.00 ATOM 478 CD2 TYR 58 -9.230 3.686 -2.376 1.00 0.00 ATOM 479 CE1 TYR 58 -10.171 6.142 -1.527 1.00 0.00 ATOM 480 CE2 TYR 58 -10.268 4.317 -3.070 1.00 0.00 ATOM 481 CZ TYR 58 -10.744 5.526 -2.655 1.00 0.00 ATOM 482 OH TYR 58 -11.778 6.181 -3.280 1.00 0.00 ATOM 483 O TYR 58 -6.377 2.011 1.974 1.00 0.00 ATOM 484 C TYR 58 -6.689 1.724 0.834 1.00 0.00 ATOM 485 N ARG 59 -6.017 0.647 0.259 1.00 0.00 ATOM 486 CA ARG 59 -4.933 -0.077 0.888 1.00 0.00 ATOM 487 CB ARG 59 -5.252 -1.572 0.952 1.00 0.00 ATOM 488 CG ARG 59 -6.495 -1.906 1.763 1.00 0.00 ATOM 489 CD ARG 59 -6.287 -1.607 3.239 1.00 0.00 ATOM 490 NE ARG 59 -7.434 -2.017 4.046 1.00 0.00 ATOM 491 CZ ARG 59 -8.495 -1.250 4.278 1.00 0.00 ATOM 492 NH1 ARG 59 -9.492 -1.707 5.026 1.00 0.00 ATOM 493 NH2 ARG 59 -8.558 -0.030 3.765 1.00 0.00 ATOM 494 O ARG 59 -3.598 0.122 -1.110 1.00 0.00 ATOM 495 C ARG 59 -3.630 0.085 0.125 1.00 0.00 ATOM 496 N GLU 60 -2.553 0.117 0.901 1.00 0.00 ATOM 497 CA GLU 60 -1.215 0.069 0.385 1.00 0.00 ATOM 498 CB GLU 60 -0.362 1.303 0.656 1.00 0.00 ATOM 499 CG GLU 60 -1.021 2.591 0.095 1.00 0.00 ATOM 500 CD GLU 60 -1.920 3.339 1.044 1.00 0.00 ATOM 501 OE1 GLU 60 -2.696 2.703 1.768 1.00 0.00 ATOM 502 OE2 GLU 60 -1.931 4.646 1.068 1.00 0.00 ATOM 503 O GLU 60 -0.836 -1.461 2.232 1.00 0.00 ATOM 504 C GLU 60 -0.406 -0.937 1.208 1.00 0.00 ATOM 505 N ALA 61 0.795 -1.290 0.690 1.00 0.00 ATOM 506 CA ALA 61 1.737 -2.028 1.504 1.00 0.00 ATOM 507 CB ALA 61 2.792 -2.689 0.628 1.00 0.00 ATOM 508 O ALA 61 2.777 0.075 2.076 1.00 0.00 ATOM 509 C ALA 61 2.431 -1.052 2.466 1.00 0.00 ATOM 510 N VAL 62 2.802 -1.585 3.601 1.00 0.00 ATOM 511 CA VAL 62 3.420 -0.771 4.649 1.00 0.00 ATOM 512 CB VAL 62 3.535 -1.539 5.989 1.00 0.00 ATOM 513 CG1 VAL 62 4.474 -0.818 6.916 1.00 0.00 ATOM 514 CG2 VAL 62 2.162 -1.668 6.632 1.00 0.00 ATOM 515 O VAL 62 5.162 0.852 4.317 1.00 0.00 ATOM 516 C VAL 62 4.814 -0.323 4.210 1.00 0.00 ATOM 517 N GLU 63 5.665 -1.274 3.825 1.00 0.00 ATOM 518 CA GLU 63 7.004 -0.920 3.363 1.00 0.00 ATOM 519 CB GLU 63 7.815 -2.183 3.064 1.00 0.00 ATOM 520 CG GLU 63 9.167 -1.926 2.422 1.00 0.00 ATOM 521 CD GLU 63 10.019 -3.180 2.332 1.00 0.00 ATOM 522 OE1 GLU 63 9.466 -4.263 2.050 1.00 0.00 ATOM 523 OE2 GLU 63 11.247 -3.081 2.529 1.00 0.00 ATOM 524 O GLU 63 7.641 0.981 2.046 1.00 0.00 ATOM 525 C GLU 63 6.945 -0.023 2.121 1.00 0.00 ATOM 526 N TRP 64 6.093 -0.374 1.163 1.00 0.00 ATOM 527 CA TRP 64 6.003 0.398 -0.073 1.00 0.00 ATOM 528 CB TRP 64 5.164 -0.402 -1.136 1.00 0.00 ATOM 529 CG TRP 64 4.944 0.328 -2.457 1.00 0.00 ATOM 530 CD1 TRP 64 3.737 0.602 -3.049 1.00 0.00 ATOM 531 CD2 TRP 64 5.948 0.917 -3.308 1.00 0.00 ATOM 532 CE2 TRP 64 5.268 1.531 -4.385 1.00 0.00 ATOM 533 CE3 TRP 64 7.366 0.990 -3.258 1.00 0.00 ATOM 534 NE1 TRP 64 3.926 1.317 -4.207 1.00 0.00 ATOM 535 CZ2 TRP 64 5.949 2.224 -5.412 1.00 0.00 ATOM 536 CZ3 TRP 64 8.049 1.691 -4.291 1.00 0.00 ATOM 537 CH2 TRP 64 7.329 2.294 -5.345 1.00 0.00 ATOM 538 O TRP 64 5.952 2.767 -0.397 1.00 0.00 ATOM 539 C TRP 64 5.471 1.780 0.178 1.00 0.00 ATOM 540 N ALA 65 4.464 1.864 1.029 1.00 0.00 ATOM 541 CA ALA 65 3.897 3.156 1.326 1.00 0.00 ATOM 542 CB ALA 65 2.597 2.973 2.123 1.00 0.00 ATOM 543 O ALA 65 4.932 5.279 1.816 1.00 0.00 ATOM 544 C ALA 65 4.887 4.069 2.062 1.00 0.00 ATOM 545 N ILE 66 5.667 3.476 2.940 1.00 0.00 ATOM 546 CA ILE 66 6.669 4.248 3.671 1.00 0.00 ATOM 547 CB ILE 66 7.382 3.366 4.749 1.00 0.00 ATOM 548 CG1 ILE 66 6.376 3.059 5.868 1.00 0.00 ATOM 549 CG2 ILE 66 8.627 4.067 5.287 1.00 0.00 ATOM 550 CD1 ILE 66 6.904 2.021 6.874 1.00 0.00 ATOM 551 O ILE 66 8.093 5.968 2.728 1.00 0.00 ATOM 552 C ILE 66 7.684 4.805 2.649 1.00 0.00 ATOM 553 N GLU 67 8.073 3.984 1.676 1.00 0.00 ATOM 554 CA GLU 67 9.028 4.410 0.663 1.00 0.00 ATOM 555 CB GLU 67 9.428 3.230 -0.223 1.00 0.00 ATOM 556 CG GLU 67 10.593 3.541 -1.133 1.00 0.00 ATOM 557 CD GLU 67 10.944 2.389 -2.050 1.00 0.00 ATOM 558 OE1 GLU 67 10.768 1.226 -1.632 1.00 0.00 ATOM 559 OE2 GLU 67 11.411 2.651 -3.178 1.00 0.00 ATOM 560 O GLU 67 9.169 6.539 -0.417 1.00 0.00 ATOM 561 C GLU 67 8.475 5.549 -0.185 1.00 0.00 ATOM 562 N VAL 68 7.228 5.406 -0.627 1.00 0.00 ATOM 563 CA VAL 68 6.580 6.422 -1.462 1.00 0.00 ATOM 564 CB VAL 68 5.183 5.897 -1.902 1.00 0.00 ATOM 565 CG1 VAL 68 4.386 7.007 -2.578 1.00 0.00 ATOM 566 CG2 VAL 68 5.361 4.715 -2.849 1.00 0.00 ATOM 567 O VAL 68 6.651 8.817 -1.279 1.00 0.00 ATOM 568 C VAL 68 6.442 7.742 -0.712 1.00 0.00 ATOM 569 N LEU 69 6.078 7.690 0.542 1.00 0.00 ATOM 570 CA LEU 69 5.915 8.891 1.361 1.00 0.00 ATOM 571 CB LEU 69 5.392 8.553 2.755 1.00 0.00 ATOM 572 CG LEU 69 5.070 9.762 3.639 1.00 0.00 ATOM 573 CD1 LEU 69 4.165 10.754 2.902 1.00 0.00 ATOM 574 CD2 LEU 69 4.415 9.291 4.932 1.00 0.00 ATOM 575 O LEU 69 7.265 10.869 1.478 1.00 0.00 ATOM 576 C LEU 69 7.231 9.640 1.543 1.00 0.00 ATOM 577 N GLU 70 8.316 8.903 1.746 1.00 0.00 ATOM 578 CA GLU 70 9.632 9.518 1.919 1.00 0.00 ATOM 579 CB GLU 70 10.660 8.441 2.346 1.00 0.00 ATOM 580 CG GLU 70 10.428 7.907 3.753 1.00 0.00 ATOM 581 CD GLU 70 11.411 6.820 4.124 1.00 0.00 ATOM 582 OE1 GLU 70 12.618 7.116 4.252 1.00 0.00 ATOM 583 OE2 GLU 70 10.974 5.661 4.274 1.00 0.00 ATOM 584 O GLU 70 10.646 11.294 0.661 1.00 0.00 ATOM 585 C GLU 70 10.108 10.185 0.628 1.00 0.00 ATOM 586 N ARG 71 9.863 9.540 -0.515 1.00 0.00 ATOM 587 CA ARG 71 10.255 10.091 -1.810 1.00 0.00 ATOM 588 CB ARG 71 10.042 9.128 -2.945 1.00 0.00 ATOM 589 CG ARG 71 11.095 8.022 -2.962 1.00 0.00 ATOM 590 CD ARG 71 10.727 6.963 -3.999 1.00 0.00 ATOM 591 NE ARG 71 11.643 5.833 -3.921 1.00 0.00 ATOM 592 CZ ARG 71 12.820 5.766 -4.532 1.00 0.00 ATOM 593 NH1 ARG 71 13.233 6.765 -5.296 1.00 0.00 ATOM 594 NH2 ARG 71 13.567 4.676 -4.386 1.00 0.00 ATOM 595 O ARG 71 10.052 12.369 -2.558 1.00 0.00 ATOM 596 C ARG 71 9.482 11.384 -2.085 1.00 0.00 ATOM 597 N ILE 72 8.185 11.382 -1.801 1.00 0.00 ATOM 598 CA ILE 72 7.367 12.567 -2.045 1.00 0.00 ATOM 599 CB ILE 72 5.877 12.267 -1.700 1.00 0.00 ATOM 600 CG1 ILE 72 5.315 11.244 -2.693 1.00 0.00 ATOM 601 CG2 ILE 72 5.056 13.551 -1.723 1.00 0.00 ATOM 602 CD1 ILE 72 3.971 10.671 -2.285 1.00 0.00 ATOM 603 O ILE 72 7.944 14.874 -1.710 1.00 0.00 ATOM 604 C ILE 72 7.877 13.745 -1.221 1.00 0.00 ATOM 605 N ARG 73 8.227 13.487 0.032 1.00 0.00 ATOM 606 CA ARG 73 8.752 14.540 0.891 1.00 0.00 ATOM 607 CB ARG 73 8.997 14.047 2.320 1.00 0.00 ATOM 608 CG ARG 73 7.730 13.786 3.101 1.00 0.00 ATOM 609 CD ARG 73 7.999 13.887 4.596 1.00 0.00 ATOM 610 NE ARG 73 9.077 13.003 5.028 1.00 0.00 ATOM 611 CZ ARG 73 8.902 11.938 5.803 1.00 0.00 ATOM 612 NH1 ARG 73 7.689 11.619 6.229 1.00 0.00 ATOM 613 NH2 ARG 73 9.944 11.197 6.156 1.00 0.00 ATOM 614 O ARG 73 10.298 16.295 0.293 1.00 0.00 ATOM 615 C ARG 73 10.069 15.080 0.323 1.00 0.00 ATOM 616 N ASP 74 10.912 14.185 -0.203 1.00 0.00 ATOM 617 CA ASP 74 12.187 14.553 -0.767 1.00 0.00 ATOM 618 CB ASP 74 13.271 13.553 -0.359 1.00 0.00 ATOM 619 CG ASP 74 13.507 13.527 1.137 1.00 0.00 ATOM 620 OD1 ASP 74 13.656 14.615 1.735 1.00 0.00 ATOM 621 OD2 ASP 74 13.541 12.421 1.715 1.00 0.00 ATOM 622 O ASP 74 13.198 14.918 -2.902 1.00 0.00 ATOM 623 C ASP 74 12.193 14.599 -2.286 1.00 0.00 ATOM 624 N GLY 75 10.897 14.379 -2.957 1.00 0.00 ATOM 625 CA GLY 75 10.757 14.352 -4.421 1.00 0.00 ATOM 626 O GLY 75 12.655 14.011 -5.864 1.00 0.00 ATOM 627 C GLY 75 11.930 13.543 -4.978 1.00 0.00 ATOM 628 N GLU 76 12.109 12.320 -4.450 1.00 0.00 ATOM 629 CA GLU 76 13.348 11.596 -4.716 1.00 0.00 ATOM 630 CB GLU 76 13.383 10.286 -3.927 1.00 0.00 ATOM 631 CG GLU 76 14.676 9.501 -4.084 1.00 0.00 ATOM 632 CD GLU 76 15.870 10.221 -3.489 1.00 0.00 ATOM 633 OE1 GLU 76 15.664 11.232 -2.786 1.00 0.00 ATOM 634 OE2 GLU 76 17.012 9.773 -3.726 1.00 0.00 ATOM 635 O GLU 76 14.681 11.303 -6.680 1.00 0.00 ATOM 636 C GLU 76 13.558 11.260 -6.185 1.00 0.00 ATOM 637 N ASN 77 12.510 10.913 -6.900 1.00 0.00 ATOM 638 CA ASN 77 12.620 10.574 -8.311 1.00 0.00 ATOM 639 CB ASN 77 11.346 9.911 -8.842 1.00 0.00 ATOM 640 CG ASN 77 11.090 8.555 -8.217 1.00 0.00 ATOM 641 ND2 ASN 77 9.835 8.120 -8.244 1.00 0.00 ATOM 642 OD1 ASN 77 12.009 7.908 -7.714 1.00 0.00 ATOM 643 O ASN 77 13.409 11.567 -10.340 1.00 0.00 ATOM 644 C ASN 77 12.938 11.762 -9.211 1.00 0.00 ATOM 645 N VAL 78 12.686 13.035 -8.701 1.00 0.00 ATOM 646 CA VAL 78 12.997 14.219 -9.521 1.00 0.00 ATOM 647 CB VAL 78 12.454 15.509 -8.879 1.00 0.00 ATOM 648 CG1 VAL 78 12.956 16.731 -9.634 1.00 0.00 ATOM 649 CG2 VAL 78 10.933 15.518 -8.908 1.00 0.00 ATOM 650 O VAL 78 15.086 14.702 -10.700 1.00 0.00 ATOM 651 C VAL 78 14.507 14.363 -9.674 1.00 0.00 ATOM 652 N LYS 79 15.089 14.171 -8.483 1.00 0.00 ATOM 653 CA LYS 79 16.474 14.263 -8.261 1.00 0.00 ATOM 654 CB LYS 79 16.797 14.032 -6.784 1.00 0.00 ATOM 655 CG LYS 79 18.274 14.154 -6.444 1.00 0.00 ATOM 656 CD LYS 79 18.513 13.983 -4.952 1.00 0.00 ATOM 657 CE LYS 79 19.993 14.056 -4.619 1.00 0.00 ATOM 658 NZ LYS 79 20.245 13.866 -3.163 1.00 0.00 ATOM 659 O LYS 79 18.170 13.563 -9.812 1.00 0.00 ATOM 660 C LYS 79 17.240 13.217 -9.079 1.00 0.00 ATOM 661 N LEU 80 16.864 11.919 -8.957 1.00 0.00 ATOM 662 CA LEU 80 17.590 10.919 -9.731 1.00 0.00 ATOM 663 CB LEU 80 16.956 9.554 -9.454 1.00 0.00 ATOM 664 CG LEU 80 17.161 8.985 -8.049 1.00 0.00 ATOM 665 CD1 LEU 80 16.334 7.723 -7.853 1.00 0.00 ATOM 666 CD2 LEU 80 18.623 8.635 -7.818 1.00 0.00 ATOM 667 O LEU 80 18.575 11.012 -11.924 1.00 0.00 ATOM 668 C LEU 80 17.565 11.185 -11.238 1.00 0.00 ATOM 669 N VAL 81 15.856 11.518 -12.656 1.00 0.00 ATOM 670 CA VAL 81 15.629 11.732 -14.088 1.00 0.00 ATOM 671 CB VAL 81 14.470 10.834 -14.560 1.00 0.00 ATOM 672 CG1 VAL 81 14.847 9.366 -14.437 1.00 0.00 ATOM 673 CG2 VAL 81 13.226 11.084 -13.720 1.00 0.00 ATOM 674 O VAL 81 14.794 13.454 -15.555 1.00 0.00 ATOM 675 C VAL 81 15.183 13.149 -14.425 1.00 0.00 ATOM 676 N SER 82 15.172 13.988 -13.409 1.00 0.00 ATOM 677 CA SER 82 14.780 15.386 -13.593 1.00 0.00 ATOM 678 CB SER 82 15.805 16.120 -14.460 1.00 0.00 ATOM 679 OG SER 82 17.082 16.122 -13.848 1.00 0.00 ATOM 680 O SER 82 13.170 16.401 -15.089 1.00 0.00 ATOM 681 C SER 82 13.425 15.556 -14.246 1.00 0.00 ATOM 682 N LEU 83 12.460 14.776 -13.791 1.00 0.00 ATOM 683 CA LEU 83 11.062 14.857 -14.315 1.00 0.00 ATOM 684 CB LEU 83 10.818 13.716 -15.305 1.00 0.00 ATOM 685 CG LEU 83 9.415 13.628 -15.907 1.00 0.00 ATOM 686 CD1 LEU 83 9.108 14.862 -16.740 1.00 0.00 ATOM 687 CD2 LEU 83 9.290 12.406 -16.804 1.00 0.00 ATOM 688 O LEU 83 10.271 13.787 -12.261 1.00 0.00 ATOM 689 C LEU 83 10.173 14.727 -13.068 1.00 0.00 ATOM 690 N ASP 84 9.315 15.699 -12.911 1.00 0.00 ATOM 691 CA ASP 84 8.398 15.784 -11.761 1.00 0.00 ATOM 692 CB ASP 84 7.590 17.082 -11.814 1.00 0.00 ATOM 693 CG ASP 84 8.423 18.302 -11.472 1.00 0.00 ATOM 694 OD1 ASP 84 9.569 18.127 -11.006 1.00 0.00 ATOM 695 OD2 ASP 84 7.931 19.432 -11.670 1.00 0.00 ATOM 696 O ASP 84 6.864 14.237 -12.787 1.00 0.00 ATOM 697 C ASP 84 7.430 14.640 -11.733 1.00 0.00 ATOM 698 N GLY 85 7.107 13.854 -10.506 1.00 0.00 ATOM 699 CA GLY 85 6.074 12.843 -10.364 1.00 0.00 ATOM 700 O GLY 85 4.018 12.546 -11.480 1.00 0.00 ATOM 701 C GLY 85 4.766 13.345 -10.907 1.00 0.00 ATOM 702 N PRO 86 4.442 14.632 -10.728 1.00 0.00 ATOM 703 CA PRO 86 3.221 15.164 -11.321 1.00 0.00 ATOM 704 CB PRO 86 3.283 16.662 -11.014 1.00 0.00 ATOM 705 CG PRO 86 4.060 16.752 -9.745 1.00 0.00 ATOM 706 CD PRO 86 5.152 15.724 -9.851 1.00 0.00 ATOM 707 O PRO 86 1.996 14.744 -13.341 1.00 0.00 ATOM 708 C PRO 86 3.068 14.968 -12.811 1.00 0.00 ATOM 709 N ALA 87 4.170 14.993 -13.572 1.00 0.00 ATOM 710 CA ALA 87 4.150 14.704 -14.976 1.00 0.00 ATOM 711 CB ALA 87 5.486 14.953 -15.657 1.00 0.00 ATOM 712 O ALA 87 2.870 12.962 -16.038 1.00 0.00 ATOM 713 C ALA 87 3.753 13.237 -15.236 1.00 0.00 ATOM 714 N PRO 88 4.431 12.341 -14.519 1.00 0.00 ATOM 715 CA PRO 88 4.009 10.904 -14.718 1.00 0.00 ATOM 716 CB PRO 88 5.376 10.171 -14.558 1.00 0.00 ATOM 717 CG PRO 88 6.193 11.088 -13.673 1.00 0.00 ATOM 718 CD PRO 88 5.836 12.455 -14.232 1.00 0.00 ATOM 719 O PRO 88 2.549 11.028 -12.863 1.00 0.00 ATOM 720 C PRO 88 2.668 10.663 -14.038 1.00 0.00 ATOM 721 N PRO 89 1.767 9.977 -14.694 1.00 0.00 ATOM 722 CA PRO 89 0.441 9.661 -14.153 1.00 0.00 ATOM 723 CB PRO 89 -0.189 8.659 -15.057 1.00 0.00 ATOM 724 CG PRO 89 0.841 8.258 -16.010 1.00 0.00 ATOM 725 CD PRO 89 2.029 9.158 -15.904 1.00 0.00 ATOM 726 O PRO 89 -0.232 9.264 -11.815 1.00 0.00 ATOM 727 C PRO 89 0.479 8.971 -12.791 1.00 0.00 ATOM 728 N LYS 90 1.263 7.887 -12.799 1.00 0.00 ATOM 729 CA LYS 90 1.365 7.040 -11.573 1.00 0.00 ATOM 730 CB LYS 90 2.235 5.808 -11.964 1.00 0.00 ATOM 731 CG LYS 90 1.707 5.036 -13.100 1.00 0.00 ATOM 732 CD LYS 90 0.268 4.560 -12.855 1.00 0.00 ATOM 733 CE LYS 90 -0.172 3.537 -13.908 1.00 0.00 ATOM 734 NZ LYS 90 -1.499 2.963 -13.482 1.00 0.00 ATOM 735 O LYS 90 1.465 7.618 -9.282 1.00 0.00 ATOM 736 C LYS 90 1.960 7.803 -10.407 1.00 0.00 ATOM 737 N VAL 91 3.046 8.511 -10.645 1.00 0.00 ATOM 738 CA VAL 91 3.664 9.248 -9.537 1.00 0.00 ATOM 739 CB VAL 91 4.952 9.906 -9.940 1.00 0.00 ATOM 740 CG1 VAL 91 5.549 10.799 -8.853 1.00 0.00 ATOM 741 CG2 VAL 91 5.948 8.811 -10.330 1.00 0.00 ATOM 742 O VAL 91 2.646 10.491 -7.752 1.00 0.00 ATOM 743 C VAL 91 2.641 10.262 -8.974 1.00 0.00 ATOM 744 N MET 92 1.969 10.957 -9.865 1.00 0.00 ATOM 745 CA MET 92 0.946 11.925 -9.423 1.00 0.00 ATOM 746 CB MET 92 0.150 12.406 -10.629 1.00 0.00 ATOM 747 CG MET 92 -0.730 13.653 -10.390 1.00 0.00 ATOM 748 SD MET 92 -1.799 14.193 -11.811 1.00 0.00 ATOM 749 CE MET 92 -2.234 12.590 -12.537 1.00 0.00 ATOM 750 O MET 92 -0.480 11.849 -7.504 1.00 0.00 ATOM 751 C MET 92 -0.088 11.248 -8.537 1.00 0.00 ATOM 752 N LYS 93 -0.543 10.035 -8.875 1.00 0.00 ATOM 753 CA LYS 93 -1.459 9.296 -8.000 1.00 0.00 ATOM 754 CB LYS 93 -1.799 7.932 -8.645 1.00 0.00 ATOM 755 CG LYS 93 -2.864 7.176 -7.863 1.00 0.00 ATOM 756 CD LYS 93 -3.230 5.851 -8.519 1.00 0.00 ATOM 757 CE LYS 93 -4.343 5.160 -7.732 1.00 0.00 ATOM 758 NZ LYS 93 -4.644 3.805 -8.270 1.00 0.00 ATOM 759 O LYS 93 -1.476 9.239 -5.625 1.00 0.00 ATOM 760 C LYS 93 -0.843 9.011 -6.643 1.00 0.00 ATOM 761 N ARG 94 0.402 8.524 -6.628 1.00 0.00 ATOM 762 CA ARG 94 1.084 8.191 -5.383 1.00 0.00 ATOM 763 CB ARG 94 2.467 7.514 -5.762 1.00 0.00 ATOM 764 CG ARG 94 2.456 6.005 -5.919 1.00 0.00 ATOM 765 CD ARG 94 3.870 5.430 -5.845 1.00 0.00 ATOM 766 NE ARG 94 4.708 5.808 -6.982 1.00 0.00 ATOM 767 CZ ARG 94 4.505 5.402 -8.234 1.00 0.00 ATOM 768 NH1 ARG 94 3.486 4.602 -8.524 1.00 0.00 ATOM 769 NH2 ARG 94 5.327 5.792 -9.198 1.00 0.00 ATOM 770 O ARG 94 1.141 9.270 -3.251 1.00 0.00 ATOM 771 C ARG 94 1.304 9.383 -4.462 1.00 0.00 ATOM 772 N LEU 95 1.685 10.509 -5.041 1.00 0.00 ATOM 773 CA LEU 95 1.895 11.739 -4.225 1.00 0.00 ATOM 774 CB LEU 95 2.487 12.865 -5.026 1.00 0.00 ATOM 775 CG LEU 95 3.865 12.535 -5.649 1.00 0.00 ATOM 776 CD1 LEU 95 4.183 13.655 -6.630 1.00 0.00 ATOM 777 CD2 LEU 95 4.944 12.354 -4.616 1.00 0.00 ATOM 778 O LEU 95 0.564 12.595 -2.447 1.00 0.00 ATOM 779 C LEU 95 0.576 12.164 -3.597 1.00 0.00 ATOM 780 N SER 96 -0.544 12.054 -4.320 1.00 0.00 ATOM 781 CA SER 96 -1.843 12.403 -3.733 1.00 0.00 ATOM 782 CB SER 96 -2.934 12.337 -4.795 1.00 0.00 ATOM 783 OG SER 96 -4.203 12.538 -4.235 1.00 0.00 ATOM 784 O SER 96 -2.498 11.942 -1.485 1.00 0.00 ATOM 785 C SER 96 -2.123 11.456 -2.547 1.00 0.00 ATOM 786 N LEU 97 -1.836 10.166 -2.712 1.00 0.00 ATOM 787 CA LEU 97 -2.035 9.197 -1.645 1.00 0.00 ATOM 788 CB LEU 97 -1.782 7.761 -2.159 1.00 0.00 ATOM 789 CG LEU 97 -2.843 7.232 -3.170 1.00 0.00 ATOM 790 CD1 LEU 97 -2.383 5.856 -3.696 1.00 0.00 ATOM 791 CD2 LEU 97 -4.225 7.127 -2.525 1.00 0.00 ATOM 792 O LEU 97 -1.574 9.431 0.707 1.00 0.00 ATOM 793 C LEU 97 -1.128 9.497 -0.440 1.00 0.00 ATOM 794 N ALA 98 0.142 9.850 -0.678 1.00 0.00 ATOM 795 CA ALA 98 1.065 10.164 0.416 1.00 0.00 ATOM 796 CB ALA 98 2.492 10.340 -0.103 1.00 0.00 ATOM 797 O ALA 98 0.650 11.517 2.400 1.00 0.00 ATOM 798 C ALA 98 0.635 11.419 1.168 1.00 0.00 ATOM 799 N LEU 99 0.226 12.459 0.392 1.00 0.00 ATOM 800 CA LEU 99 -0.261 13.693 0.991 1.00 0.00 ATOM 801 CB LEU 99 -0.702 14.719 0.041 1.00 0.00 ATOM 802 CG LEU 99 0.445 15.251 -0.818 1.00 0.00 ATOM 803 CD1 LEU 99 -0.089 16.130 -1.915 1.00 0.00 ATOM 804 CD2 LEU 99 1.436 15.991 0.024 1.00 0.00 ATOM 805 O LEU 99 -1.650 14.024 2.921 1.00 0.00 ATOM 806 C LEU 99 -1.477 13.415 1.843 1.00 0.00 ATOM 807 N GLN 100 -2.382 12.565 1.368 1.00 0.00 ATOM 808 CA GLN 100 -3.602 12.313 2.151 1.00 0.00 ATOM 809 CB GLN 100 -4.561 11.410 1.373 1.00 0.00 ATOM 810 CG GLN 100 -5.222 12.085 0.183 1.00 0.00 ATOM 811 CD GLN 100 -6.061 11.126 -0.639 1.00 0.00 ATOM 812 OE1 GLN 100 -6.092 9.926 -0.369 1.00 0.00 ATOM 813 NE2 GLN 100 -6.744 11.656 -1.647 1.00 0.00 ATOM 814 O GLN 100 -3.668 12.136 4.564 1.00 0.00 ATOM 815 C GLN 100 -3.229 11.673 3.504 1.00 0.00 ATOM 816 N LYS 101 -2.370 10.665 3.464 1.00 0.00 ATOM 817 CA LYS 101 -1.920 9.988 4.676 1.00 0.00 ATOM 818 CB LYS 101 -1.079 8.754 4.283 1.00 0.00 ATOM 819 CG LYS 101 -0.581 7.930 5.481 1.00 0.00 ATOM 820 CD LYS 101 0.004 6.626 5.104 1.00 0.00 ATOM 821 CE LYS 101 1.555 6.661 4.950 1.00 0.00 ATOM 822 NZ LYS 101 2.275 5.297 5.045 1.00 0.00 ATOM 823 O LYS 101 -1.419 10.901 6.829 1.00 0.00 ATOM 824 C LYS 101 -1.223 10.936 5.626 1.00 0.00 ATOM 825 N LEU 102 -0.470 11.829 5.066 1.00 0.00 ATOM 826 CA LEU 102 0.237 12.790 5.864 1.00 0.00 ATOM 827 CB LEU 102 1.284 13.549 5.047 1.00 0.00 ATOM 828 CG LEU 102 2.480 12.733 4.553 1.00 0.00 ATOM 829 CD1 LEU 102 3.356 13.569 3.630 1.00 0.00 ATOM 830 CD2 LEU 102 3.332 12.267 5.723 1.00 0.00 ATOM 831 O LEU 102 -0.429 14.090 7.742 1.00 0.00 ATOM 832 C LEU 102 -0.640 13.816 6.577 1.00 0.00 ATOM 833 N THR 103 -1.648 14.351 5.886 1.00 0.00 ATOM 834 CA THR 103 -2.532 15.349 6.465 1.00 0.00 ATOM 835 CB THR 103 -3.614 15.742 5.456 1.00 0.00 ATOM 836 CG2 THR 103 -4.676 16.634 6.086 1.00 0.00 ATOM 837 OG1 THR 103 -3.009 16.483 4.395 1.00 0.00 ATOM 838 O THR 103 -3.195 15.431 8.772 1.00 0.00 ATOM 839 C THR 103 -3.193 14.793 7.730 1.00 0.00 ATOM 840 N GLU 104 -3.747 13.606 7.661 1.00 0.00 ATOM 841 CA GLU 104 -4.452 12.996 8.760 1.00 0.00 ATOM 842 CB GLU 104 -5.897 13.497 8.801 1.00 0.00 ATOM 843 CG GLU 104 -6.697 12.982 9.988 1.00 0.00 ATOM 844 CD GLU 104 -8.112 13.526 10.014 1.00 0.00 ATOM 845 OE1 GLU 104 -8.470 14.297 9.099 1.00 0.00 ATOM 846 OE2 GLU 104 -8.864 13.179 10.950 1.00 0.00 ATOM 847 O GLU 104 -3.820 11.019 7.551 1.00 0.00 ATOM 848 C GLU 104 -4.433 11.477 8.545 1.00 0.00 TER END