PFRMAT TS TARGET T0350 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 METHOD We ended up using fold recognition, assembly of models from fragments, METHOD and hand-editing with ProteinShop for this target. METHOD METHOD METHOD Model 1 is try6-opt2: our second best-scoring model and the one METHOD where the helix packing seems the most sensible. It is based on a METHOD hand-edited version of try4-op2, improved by undertaker. METHOD METHOD Model 2 is try7-opt2.gromacs0.repack-nonPC: a similar model to our METHOD model 1, but with the undertaker-produced model reoptimized by METHOD gromacs and with sidechains selected by rosetta on a fixed METHOD backbone. It is Rosetta's favorite of our backbones to repack. METHOD It also looks most feasible to dimerize along the edge of the METHOD sheet. (L51-H63) We did not have time to attempt optimizing in a METHOD dimeric context. METHOD METHOD Model 3 is try5-opt2. It used our try3 and server models, but METHOD topologically is based on try3, which it managed to improve on by METHOD breaking up the final helix, bending it over and burying the end. The METHOD helices look implausible but score well. METHOD METHOD Model 4 is try4-opt2: this was the first model with the correct METHOD sheet structure according to our o_sep and n_sep alphabets, but METHOD scores poorly, probably because the helices are a mess. METHOD METHOD Model 5 is try1-opt2, the fully automatic model: third of the sheet METHOD seems right, third of it is wrong, and third of it shouldn't be a METHOD sheet at all. METHOD REMARK 6 REMARK 6 T0350 model 5 Wed Jul 19 09:42:21 2006 MODEL 5 PARENT 2cnq_A 1t6s_A 1obd_A 1a48 3pro_C REMARK 7 REMARK 7 ALLPARENTS 2cnq_A 1t6s_A 1obd_A 1a48 3pro_C 2gu3_A 1s5j_A REMARK 7 ALLPARENTS 1v5x_A 1osp_O 1aqc_A 3pro_D 1jny_A 1wmv_A 1zbf_A REMARK 7 ALLPARENTS 1ylx_A 1914 1a3q_A 1oht_A 1vpk_A 2gnq_A ATOM 1 N MET 1 -22.403 -18.853 -27.161 1.00 0.00 ATOM 2 CA MET 1 -23.542 -18.294 -26.402 1.00 0.00 ATOM 3 CB MET 1 -24.099 -19.336 -25.429 1.00 0.00 ATOM 4 CG MET 1 -25.366 -18.898 -24.711 1.00 0.00 ATOM 5 SD MET 1 -26.011 -20.167 -23.605 1.00 0.00 ATOM 6 CE MET 1 -26.733 -21.306 -24.782 1.00 0.00 ATOM 7 O MET 1 -22.204 -16.988 -24.869 1.00 0.00 ATOM 8 C MET 1 -23.199 -17.059 -25.564 1.00 0.00 ATOM 9 N ASN 2 -24.073 -16.073 -25.655 1.00 0.00 ATOM 10 CA ASN 2 -23.909 -14.836 -24.880 1.00 0.00 ATOM 11 CB ASN 2 -24.952 -13.814 -25.299 1.00 0.00 ATOM 12 CG ASN 2 -24.514 -13.079 -26.556 1.00 0.00 ATOM 13 ND2 ASN 2 -25.468 -12.474 -27.234 1.00 0.00 ATOM 14 OD1 ASN 2 -23.323 -13.048 -26.914 1.00 0.00 ATOM 15 O ASN 2 -23.230 -14.656 -22.558 1.00 0.00 ATOM 16 C ASN 2 -23.984 -15.146 -23.393 1.00 0.00 ATOM 17 N ILE 3 -25.018 -16.022 -23.076 1.00 0.00 ATOM 18 CA ILE 3 -25.186 -16.467 -21.691 1.00 0.00 ATOM 19 CB ILE 3 -26.474 -17.297 -21.630 1.00 0.00 ATOM 20 CG1 ILE 3 -27.719 -16.417 -21.599 1.00 0.00 ATOM 21 CG2 ILE 3 -26.488 -18.232 -20.445 1.00 0.00 ATOM 22 CD1 ILE 3 -29.013 -17.164 -21.810 1.00 0.00 ATOM 23 O ILE 3 -23.468 -17.040 -20.114 1.00 0.00 ATOM 24 C ILE 3 -23.963 -17.233 -21.228 1.00 0.00 ATOM 25 N GLU 4 -23.436 -18.131 -22.056 1.00 0.00 ATOM 26 CA GLU 4 -22.257 -18.897 -21.674 1.00 0.00 ATOM 27 CB GLU 4 -21.876 -19.815 -22.832 1.00 0.00 ATOM 28 CG GLU 4 -20.782 -20.807 -22.479 1.00 0.00 ATOM 29 CD GLU 4 -20.636 -21.960 -23.429 1.00 0.00 ATOM 30 OE1 GLU 4 -21.146 -21.910 -24.562 1.00 0.00 ATOM 31 OE2 GLU 4 -19.992 -22.965 -23.034 1.00 0.00 ATOM 32 O GLU 4 -20.372 -18.145 -20.377 1.00 0.00 ATOM 33 C GLU 4 -21.082 -17.972 -21.368 1.00 0.00 ATOM 34 N ARG 5 -20.888 -16.956 -22.201 1.00 0.00 ATOM 35 CA ARG 5 -19.776 -16.026 -22.038 1.00 0.00 ATOM 36 CB ARG 5 -19.626 -15.086 -23.258 1.00 0.00 ATOM 37 CG ARG 5 -19.071 -15.785 -24.479 1.00 0.00 ATOM 38 CD ARG 5 -18.636 -14.891 -25.644 1.00 0.00 ATOM 39 NE ARG 5 -19.737 -14.243 -26.368 1.00 0.00 ATOM 40 CZ ARG 5 -20.427 -14.786 -27.377 1.00 0.00 ATOM 41 NH1 ARG 5 -20.177 -16.026 -27.798 1.00 0.00 ATOM 42 NH2 ARG 5 -21.379 -14.084 -27.987 1.00 0.00 ATOM 43 O ARG 5 -18.893 -15.122 -19.992 1.00 0.00 ATOM 44 C ARG 5 -19.889 -15.284 -20.708 1.00 0.00 ATOM 45 N LEU 6 -21.139 -14.784 -20.358 1.00 0.00 ATOM 46 CA LEU 6 -21.354 -14.077 -19.100 1.00 0.00 ATOM 47 CB LEU 6 -22.801 -13.392 -19.212 1.00 0.00 ATOM 48 CG LEU 6 -23.310 -12.599 -17.996 1.00 0.00 ATOM 49 CD1 LEU 6 -22.366 -11.451 -17.684 1.00 0.00 ATOM 50 CD2 LEU 6 -24.713 -12.057 -18.278 1.00 0.00 ATOM 51 O LEU 6 -20.643 -14.477 -16.851 1.00 0.00 ATOM 52 C LEU 6 -21.077 -14.979 -17.904 1.00 0.00 ATOM 53 N THR 7 -21.418 -16.256 -18.047 1.00 0.00 ATOM 54 CA THR 7 -21.242 -17.189 -16.936 1.00 0.00 ATOM 55 CB THR 7 -21.868 -18.543 -17.324 1.00 0.00 ATOM 56 CG2 THR 7 -21.740 -19.554 -16.206 1.00 0.00 ATOM 57 OG1 THR 7 -23.263 -18.301 -17.594 1.00 0.00 ATOM 58 O THR 7 -19.411 -17.345 -15.403 1.00 0.00 ATOM 59 C THR 7 -19.763 -17.279 -16.581 1.00 0.00 ATOM 60 N THR 8 -18.905 -17.297 -17.679 1.00 0.00 ATOM 61 CA THR 8 -17.462 -17.370 -17.499 1.00 0.00 ATOM 62 CB THR 8 -16.794 -17.957 -18.754 1.00 0.00 ATOM 63 CG2 THR 8 -17.209 -19.424 -18.921 1.00 0.00 ATOM 64 OG1 THR 8 -17.188 -17.230 -19.925 1.00 0.00 ATOM 65 O THR 8 -15.921 -16.034 -16.302 1.00 0.00 ATOM 66 C THR 8 -16.849 -16.022 -17.131 1.00 0.00 ATOM 67 N LEU 9 -17.397 -14.907 -17.589 1.00 0.00 ATOM 68 CA LEU 9 -16.882 -13.586 -17.230 1.00 0.00 ATOM 69 CB LEU 9 -17.568 -12.436 -17.995 1.00 0.00 ATOM 70 CG LEU 9 -17.383 -12.497 -19.504 1.00 0.00 ATOM 71 CD1 LEU 9 -17.995 -11.233 -20.137 1.00 0.00 ATOM 72 CD2 LEU 9 -15.951 -12.691 -19.919 1.00 0.00 ATOM 73 O LEU 9 -16.227 -12.453 -15.208 1.00 0.00 ATOM 74 C LEU 9 -16.986 -13.254 -15.755 1.00 0.00 ATOM 75 N GLN 10 -17.974 -13.870 -15.095 1.00 0.00 ATOM 76 CA GLN 10 -18.176 -13.668 -13.671 1.00 0.00 ATOM 77 CB GLN 10 -19.006 -12.933 -13.064 1.00 0.00 ATOM 78 CG GLN 10 -18.307 -11.585 -12.893 1.00 0.00 ATOM 79 CD GLN 10 -18.615 -10.610 -14.021 1.00 0.00 ATOM 80 OE1 GLN 10 -18.778 -11.008 -15.175 1.00 0.00 ATOM 81 NE2 GLN 10 -18.680 -9.323 -13.693 1.00 0.00 ATOM 82 O GLN 10 -18.734 -15.968 -13.282 1.00 0.00 ATOM 83 C GLN 10 -18.138 -14.967 -12.885 1.00 0.00 ATOM 84 N PRO 11 -17.423 -14.926 -11.765 1.00 0.00 ATOM 85 CA PRO 11 -17.295 -16.104 -10.905 1.00 0.00 ATOM 86 CB PRO 11 -16.347 -15.681 -9.793 1.00 0.00 ATOM 87 CG PRO 11 -16.237 -14.179 -9.802 1.00 0.00 ATOM 88 CD PRO 11 -16.534 -13.819 -11.239 1.00 0.00 ATOM 89 O PRO 11 -18.932 -17.692 -10.169 1.00 0.00 ATOM 90 C PRO 11 -18.624 -16.504 -10.267 1.00 0.00 ATOM 91 N VAL 12 -19.398 -15.516 -9.841 1.00 0.00 ATOM 92 CA VAL 12 -20.691 -15.807 -9.231 1.00 0.00 ATOM 93 CB VAL 12 -21.308 -14.577 -8.578 1.00 0.00 ATOM 94 CG1 VAL 12 -21.719 -13.508 -9.578 1.00 0.00 ATOM 95 CG2 VAL 12 -22.486 -14.940 -7.691 1.00 0.00 ATOM 96 O VAL 12 -22.398 -17.373 -9.867 1.00 0.00 ATOM 97 C VAL 12 -21.627 -16.488 -10.231 1.00 0.00 ATOM 98 N TRP 13 -21.553 -16.084 -11.496 1.00 0.00 ATOM 99 CA TRP 13 -22.395 -16.691 -12.520 1.00 0.00 ATOM 100 CB TRP 13 -22.377 -15.975 -13.840 1.00 0.00 ATOM 101 CG TRP 13 -23.177 -14.725 -13.832 1.00 0.00 ATOM 102 CD1 TRP 13 -22.699 -13.448 -13.952 1.00 0.00 ATOM 103 CD2 TRP 13 -24.604 -14.610 -13.672 1.00 0.00 ATOM 104 CE2 TRP 13 -24.916 -13.227 -13.703 1.00 0.00 ATOM 105 CE3 TRP 13 -25.641 -15.533 -13.498 1.00 0.00 ATOM 106 NE1 TRP 13 -23.741 -12.550 -13.869 1.00 0.00 ATOM 107 CZ2 TRP 13 -26.232 -12.742 -13.564 1.00 0.00 ATOM 108 CZ3 TRP 13 -26.960 -15.050 -13.353 1.00 0.00 ATOM 109 CH2 TRP 13 -27.236 -13.662 -13.389 1.00 0.00 ATOM 110 O TRP 13 -22.865 -18.822 -13.502 1.00 0.00 ATOM 111 C TRP 13 -22.033 -18.120 -12.917 1.00 0.00 ATOM 112 N ASP 14 -20.654 -18.442 -12.564 1.00 0.00 ATOM 113 CA ASP 14 -20.130 -19.715 -13.020 1.00 0.00 ATOM 114 CB ASP 14 -18.637 -19.631 -12.872 1.00 0.00 ATOM 115 CG ASP 14 -17.970 -20.948 -13.044 1.00 0.00 ATOM 116 OD1 ASP 14 -18.553 -21.970 -12.549 1.00 0.00 ATOM 117 OD2 ASP 14 -16.896 -20.995 -13.680 1.00 0.00 ATOM 118 O ASP 14 -20.353 -20.442 -10.761 1.00 0.00 ATOM 119 C ASP 14 -20.542 -20.728 -11.949 1.00 0.00 ATOM 120 N ARG 15 -21.063 -21.891 -12.341 1.00 0.00 ATOM 121 CA ARG 15 -21.605 -22.809 -11.332 1.00 0.00 ATOM 122 CB ARG 15 -22.167 -24.103 -11.870 1.00 0.00 ATOM 123 CG ARG 15 -23.421 -23.989 -12.698 1.00 0.00 ATOM 124 CD ARG 15 -24.157 -25.301 -12.841 1.00 0.00 ATOM 125 NE ARG 15 -23.249 -26.287 -13.437 1.00 0.00 ATOM 126 CZ ARG 15 -23.094 -26.482 -14.744 1.00 0.00 ATOM 127 NH1 ARG 15 -23.818 -25.778 -15.624 1.00 0.00 ATOM 128 NH2 ARG 15 -22.242 -27.374 -15.190 1.00 0.00 ATOM 129 O ARG 15 -20.897 -23.092 -9.098 1.00 0.00 ATOM 130 C ARG 15 -20.611 -23.184 -10.276 1.00 0.00 ATOM 131 N TYR 16 -19.404 -23.583 -10.666 1.00 0.00 ATOM 132 CA TYR 16 -18.461 -24.058 -9.653 1.00 0.00 ATOM 133 CB TYR 16 -17.263 -24.818 -10.250 1.00 0.00 ATOM 134 CG TYR 16 -17.685 -26.123 -10.892 1.00 0.00 ATOM 135 CD1 TYR 16 -18.332 -27.105 -10.131 1.00 0.00 ATOM 136 CD2 TYR 16 -17.447 -26.392 -12.229 1.00 0.00 ATOM 137 CE1 TYR 16 -18.728 -28.288 -10.711 1.00 0.00 ATOM 138 CE2 TYR 16 -17.851 -27.570 -12.814 1.00 0.00 ATOM 139 CZ TYR 16 -18.490 -28.522 -12.044 1.00 0.00 ATOM 140 OH TYR 16 -18.902 -29.701 -12.615 1.00 0.00 ATOM 141 O TYR 16 -17.767 -23.193 -7.510 1.00 0.00 ATOM 142 C TYR 16 -17.917 -22.957 -8.701 1.00 0.00 ATOM 143 N ASP 17 -17.604 -21.782 -9.206 1.00 0.00 ATOM 144 CA ASP 17 -17.259 -20.648 -8.318 1.00 0.00 ATOM 145 CB ASP 17 -16.856 -19.431 -9.088 1.00 0.00 ATOM 146 CG ASP 17 -15.547 -19.653 -9.820 1.00 0.00 ATOM 147 OD1 ASP 17 -15.589 -19.761 -11.066 1.00 0.00 ATOM 148 OD2 ASP 17 -14.497 -19.737 -9.174 1.00 0.00 ATOM 149 O ASP 17 -18.204 -19.995 -6.160 1.00 0.00 ATOM 150 C ASP 17 -18.416 -20.246 -7.331 1.00 0.00 ATOM 151 N THR 18 -19.623 -20.260 -7.827 1.00 0.00 ATOM 152 CA THR 18 -20.780 -20.041 -6.903 1.00 0.00 ATOM 153 CB THR 18 -22.093 -20.009 -7.712 1.00 0.00 ATOM 154 CG2 THR 18 -23.263 -19.669 -6.802 1.00 0.00 ATOM 155 OG1 THR 18 -21.993 -19.024 -8.748 1.00 0.00 ATOM 156 O THR 18 -21.122 -20.889 -4.687 1.00 0.00 ATOM 157 C THR 18 -20.792 -21.140 -5.844 1.00 0.00 ATOM 158 N GLN 19 -20.391 -22.381 -6.244 1.00 0.00 ATOM 159 CA GLN 19 -20.382 -23.491 -5.300 1.00 0.00 ATOM 160 CB GLN 19 -20.314 -24.781 -6.111 1.00 0.00 ATOM 161 CG GLN 19 -20.428 -26.085 -5.397 1.00 0.00 ATOM 162 CD GLN 19 -20.752 -27.219 -6.409 1.00 0.00 ATOM 163 OE1 GLN 19 -19.989 -27.437 -7.369 1.00 0.00 ATOM 164 NE2 GLN 19 -21.904 -27.885 -6.231 1.00 0.00 ATOM 165 O GLN 19 -19.589 -23.557 -3.041 1.00 0.00 ATOM 166 C GLN 19 -19.315 -23.361 -4.226 1.00 0.00 ATOM 167 N ILE 20 -18.079 -23.020 -4.603 1.00 0.00 ATOM 168 CA ILE 20 -17.004 -22.835 -3.643 1.00 0.00 ATOM 169 CB ILE 20 -15.669 -22.561 -4.359 1.00 0.00 ATOM 170 CG1 ILE 20 -15.199 -23.809 -5.108 1.00 0.00 ATOM 171 CG2 ILE 20 -14.596 -22.171 -3.353 1.00 0.00 ATOM 172 CD1 ILE 20 -14.041 -23.557 -6.049 1.00 0.00 ATOM 173 O ILE 20 -17.218 -21.748 -1.513 1.00 0.00 ATOM 174 C ILE 20 -17.334 -21.657 -2.736 1.00 0.00 ATOM 175 N HIS 21 -17.756 -20.544 -3.331 1.00 0.00 ATOM 176 CA HIS 21 -18.098 -19.363 -2.609 1.00 0.00 ATOM 177 CB HIS 21 -18.402 -18.196 -3.630 1.00 0.00 ATOM 178 CG HIS 21 -19.037 -17.004 -3.035 1.00 0.00 ATOM 179 CD2 HIS 21 -20.309 -16.513 -2.970 1.00 0.00 ATOM 180 ND1 HIS 21 -18.326 -16.054 -2.334 1.00 0.00 ATOM 181 CE1 HIS 21 -19.096 -15.102 -1.884 1.00 0.00 ATOM 182 NE2 HIS 21 -20.330 -15.339 -2.261 1.00 0.00 ATOM 183 O HIS 21 -19.230 -19.015 -0.492 1.00 0.00 ATOM 184 C HIS 21 -19.210 -19.515 -1.593 1.00 0.00 ATOM 185 N ASN 22 -20.271 -20.247 -2.021 1.00 0.00 ATOM 186 CA ASN 22 -21.395 -20.515 -1.129 1.00 0.00 ATOM 187 CB ASN 22 -22.474 -21.320 -1.855 1.00 0.00 ATOM 188 CG ASN 22 -23.215 -20.498 -2.892 1.00 0.00 ATOM 189 ND2 ASN 22 -23.841 -21.176 -3.847 1.00 0.00 ATOM 190 OD1 ASN 22 -23.223 -19.268 -2.834 1.00 0.00 ATOM 191 O ASN 22 -21.295 -21.009 1.203 1.00 0.00 ATOM 192 C ASN 22 -20.906 -21.291 0.076 1.00 0.00 ATOM 193 N GLN 23 -20.021 -22.300 -0.131 1.00 0.00 ATOM 194 CA GLN 23 -19.492 -23.078 0.976 1.00 0.00 ATOM 195 CB GLN 23 -18.568 -24.166 0.427 1.00 0.00 ATOM 196 CG GLN 23 -19.290 -25.271 -0.325 1.00 0.00 ATOM 197 CD GLN 23 -18.335 -26.259 -0.968 1.00 0.00 ATOM 198 OE1 GLN 23 -17.117 -26.079 -0.922 1.00 0.00 ATOM 199 NE2 GLN 23 -18.885 -27.307 -1.571 1.00 0.00 ATOM 200 O GLN 23 -18.851 -22.237 3.165 1.00 0.00 ATOM 201 C GLN 23 -18.706 -22.212 1.917 1.00 0.00 ATOM 202 N LYS 24 -17.784 -21.382 1.384 1.00 0.00 ATOM 203 CA LYS 24 -17.014 -20.425 2.179 1.00 0.00 ATOM 204 CB LYS 24 -16.157 -19.541 1.270 1.00 0.00 ATOM 205 CG LYS 24 -15.292 -18.539 2.017 1.00 0.00 ATOM 206 CD LYS 24 -14.422 -17.740 1.060 1.00 0.00 ATOM 207 CE LYS 24 -13.594 -16.703 1.801 1.00 0.00 ATOM 208 NZ LYS 24 -12.721 -15.926 0.878 1.00 0.00 ATOM 209 O LYS 24 -17.674 -19.342 4.199 1.00 0.00 ATOM 210 C LYS 24 -17.935 -19.539 2.975 1.00 0.00 ATOM 211 N ASP 25 -18.949 -18.950 2.368 1.00 0.00 ATOM 212 CA ASP 25 -19.810 -18.005 3.076 1.00 0.00 ATOM 213 CB ASP 25 -20.904 -17.476 2.145 1.00 0.00 ATOM 214 CG ASP 25 -20.369 -16.515 1.104 1.00 0.00 ATOM 215 OD1 ASP 25 -19.209 -16.070 1.245 1.00 0.00 ATOM 216 OD2 ASP 25 -21.107 -16.203 0.147 1.00 0.00 ATOM 217 O ASP 25 -20.300 -18.189 5.397 1.00 0.00 ATOM 218 C ASP 25 -20.469 -18.752 4.299 1.00 0.00 ATOM 219 N ASN 26 -21.074 -19.825 3.974 1.00 0.00 ATOM 220 CA ASN 26 -21.782 -20.620 5.082 1.00 0.00 ATOM 221 CB ASN 26 -22.448 -21.815 4.391 1.00 0.00 ATOM 222 CG ASN 26 -23.384 -22.503 5.349 1.00 0.00 ATOM 223 ND2 ASN 26 -24.369 -21.784 5.796 1.00 0.00 ATOM 224 OD1 ASN 26 -23.220 -23.715 5.672 1.00 0.00 ATOM 225 O ASN 26 -21.160 -20.914 7.391 1.00 0.00 ATOM 226 C ASN 26 -20.819 -21.028 6.196 1.00 0.00 ATOM 227 N ASP 27 -19.637 -21.392 5.843 1.00 0.00 ATOM 228 CA ASP 27 -18.622 -21.809 6.836 1.00 0.00 ATOM 229 CB ASP 27 -17.328 -22.253 6.149 1.00 0.00 ATOM 230 CG ASP 27 -17.464 -23.602 5.469 1.00 0.00 ATOM 231 OD1 ASP 27 -18.483 -24.286 5.704 1.00 0.00 ATOM 232 OD2 ASP 27 -16.551 -23.976 4.702 1.00 0.00 ATOM 233 O ASP 27 -17.880 -20.909 8.944 1.00 0.00 ATOM 234 C ASP 27 -18.266 -20.678 7.765 1.00 0.00 ATOM 235 N ASN 28 -18.283 -19.457 7.277 1.00 0.00 ATOM 236 CA ASN 28 -17.951 -18.251 7.954 1.00 0.00 ATOM 237 CB ASN 28 -17.303 -17.254 6.991 1.00 0.00 ATOM 238 CG ASN 28 -15.918 -17.685 6.552 1.00 0.00 ATOM 239 ND2 ASN 28 -15.512 -17.248 5.366 1.00 0.00 ATOM 240 OD1 ASN 28 -15.223 -18.400 7.273 1.00 0.00 ATOM 241 O ASN 28 -19.028 -16.436 9.028 1.00 0.00 ATOM 242 C ASN 28 -19.160 -17.572 8.556 1.00 0.00 ATOM 243 N GLU 29 -20.282 -18.250 8.564 1.00 0.00 ATOM 244 CA GLU 29 -21.527 -17.753 9.127 1.00 0.00 ATOM 245 CB GLU 29 -21.293 -17.192 10.532 1.00 0.00 ATOM 246 CG GLU 29 -20.612 -18.163 11.482 1.00 0.00 ATOM 247 CD GLU 29 -21.449 -19.397 11.753 1.00 0.00 ATOM 248 OE1 GLU 29 -22.627 -19.419 11.341 1.00 0.00 ATOM 249 OE2 GLU 29 -20.925 -20.344 12.379 1.00 0.00 ATOM 250 O GLU 29 -22.735 -15.631 9.099 1.00 0.00 ATOM 251 C GLU 29 -22.113 -16.511 8.453 1.00 0.00 ATOM 252 N VAL 30 -21.989 -16.502 7.116 1.00 0.00 ATOM 253 CA VAL 30 -22.666 -15.533 6.244 1.00 0.00 ATOM 254 CB VAL 30 -21.626 -14.718 5.451 1.00 0.00 ATOM 255 CG1 VAL 30 -22.317 -13.714 4.541 1.00 0.00 ATOM 256 CG2 VAL 30 -20.710 -13.958 6.398 1.00 0.00 ATOM 257 O VAL 30 -23.180 -17.017 4.437 1.00 0.00 ATOM 258 C VAL 30 -23.613 -16.228 5.276 1.00 0.00 ATOM 259 N PRO 31 -24.890 -15.959 5.375 1.00 0.00 ATOM 260 CA PRO 31 -25.851 -16.592 4.466 1.00 0.00 ATOM 261 CB PRO 31 -27.180 -15.983 4.897 1.00 0.00 ATOM 262 CG PRO 31 -26.973 -15.760 6.365 1.00 0.00 ATOM 263 CD PRO 31 -25.585 -15.175 6.410 1.00 0.00 ATOM 264 O PRO 31 -25.231 -15.155 2.641 1.00 0.00 ATOM 265 C PRO 31 -25.506 -16.300 3.006 1.00 0.00 ATOM 266 N VAL 32 -25.529 -17.331 2.202 1.00 0.00 ATOM 267 CA VAL 32 -25.204 -17.175 0.794 1.00 0.00 ATOM 268 CB VAL 32 -25.068 -18.541 0.052 1.00 0.00 ATOM 269 CG1 VAL 32 -25.128 -18.351 -1.443 1.00 0.00 ATOM 270 CG2 VAL 32 -23.746 -19.194 0.417 1.00 0.00 ATOM 271 O VAL 32 -25.771 -15.486 -0.796 1.00 0.00 ATOM 272 C VAL 32 -26.185 -16.269 0.051 1.00 0.00 ATOM 273 N HIS 33 -27.455 -16.342 0.343 1.00 0.00 ATOM 274 CA HIS 33 -28.442 -15.510 -0.347 1.00 0.00 ATOM 275 CB HIS 33 -29.879 -15.900 0.024 1.00 0.00 ATOM 276 CG HIS 33 -30.198 -15.736 1.476 1.00 0.00 ATOM 277 CD2 HIS 33 -30.096 -16.599 2.514 1.00 0.00 ATOM 278 ND1 HIS 33 -30.713 -14.571 2.000 1.00 0.00 ATOM 279 CE1 HIS 33 -30.913 -14.720 3.292 1.00 0.00 ATOM 280 NE2 HIS 33 -30.546 -15.946 3.635 1.00 0.00 ATOM 281 O HIS 33 -28.837 -13.171 -0.657 1.00 0.00 ATOM 282 C HIS 33 -28.312 -14.041 0.036 1.00 0.00 ATOM 283 N GLN 34 -27.606 -13.777 1.100 1.00 0.00 ATOM 284 CA GLN 34 -27.392 -12.400 1.524 1.00 0.00 ATOM 285 CB GLN 34 -26.575 -12.344 2.817 1.00 0.00 ATOM 286 CG GLN 34 -26.269 -10.935 3.298 1.00 0.00 ATOM 287 CD GLN 34 -25.478 -10.920 4.590 1.00 0.00 ATOM 288 OE1 GLN 34 -25.060 -11.967 5.086 1.00 0.00 ATOM 289 NE2 GLN 34 -25.267 -9.729 5.140 1.00 0.00 ATOM 290 O GLN 34 -26.816 -10.496 0.187 1.00 0.00 ATOM 291 C GLN 34 -26.591 -11.677 0.447 1.00 0.00 ATOM 292 N VAL 35 -25.657 -12.389 -0.179 1.00 0.00 ATOM 293 CA VAL 35 -24.830 -11.810 -1.232 1.00 0.00 ATOM 294 CB VAL 35 -23.720 -12.781 -1.677 1.00 0.00 ATOM 295 CG1 VAL 35 -22.994 -12.237 -2.897 1.00 0.00 ATOM 296 CG2 VAL 35 -22.705 -12.976 -0.559 1.00 0.00 ATOM 297 O VAL 35 -25.553 -10.406 -3.038 1.00 0.00 ATOM 298 C VAL 35 -25.682 -11.479 -2.453 1.00 0.00 ATOM 299 N SER 36 -26.557 -12.491 -2.831 1.00 0.00 ATOM 300 CA SER 36 -27.435 -12.311 -3.983 1.00 0.00 ATOM 301 CB SER 36 -28.270 -13.571 -4.221 1.00 0.00 ATOM 302 OG SER 36 -27.452 -14.659 -4.615 1.00 0.00 ATOM 303 O SER 36 -28.554 -10.283 -4.636 1.00 0.00 ATOM 304 C SER 36 -28.390 -11.139 -3.759 1.00 0.00 ATOM 305 N TYR 37 -29.005 -11.093 -2.581 1.00 0.00 ATOM 306 CA TYR 37 -29.933 -10.015 -2.258 1.00 0.00 ATOM 307 CB TYR 37 -29.893 -9.994 -0.595 1.00 0.00 ATOM 308 CG TYR 37 -30.970 -9.243 0.145 1.00 0.00 ATOM 309 CD1 TYR 37 -32.121 -9.902 0.592 1.00 0.00 ATOM 310 CD2 TYR 37 -30.843 -7.873 0.409 1.00 0.00 ATOM 311 CE1 TYR 37 -33.122 -9.216 1.282 1.00 0.00 ATOM 312 CE2 TYR 37 -31.836 -7.196 1.094 1.00 0.00 ATOM 313 CZ TYR 37 -32.958 -7.862 1.522 1.00 0.00 ATOM 314 OH TYR 37 -33.931 -7.161 2.195 1.00 0.00 ATOM 315 O TYR 37 -29.768 -7.728 -2.945 1.00 0.00 ATOM 316 C TYR 37 -29.240 -8.658 -2.350 1.00 0.00 ATOM 317 N THR 38 -28.052 -8.543 -1.763 1.00 0.00 ATOM 318 CA THR 38 -27.329 -7.280 -1.813 1.00 0.00 ATOM 319 CB THR 38 -25.981 -7.373 -1.074 1.00 0.00 ATOM 320 CG2 THR 38 -25.227 -6.055 -1.173 1.00 0.00 ATOM 321 OG1 THR 38 -26.210 -7.672 0.309 1.00 0.00 ATOM 322 O THR 38 -27.077 -5.637 -3.567 1.00 0.00 ATOM 323 C THR 38 -26.994 -6.819 -3.225 1.00 0.00 ATOM 324 N ASN 39 -26.655 -7.740 -4.105 1.00 0.00 ATOM 325 CA ASN 39 -26.490 -7.413 -5.522 1.00 0.00 ATOM 326 CB ASN 39 -26.000 -8.628 -6.312 1.00 0.00 ATOM 327 CG ASN 39 -24.589 -9.037 -5.936 1.00 0.00 ATOM 328 ND2 ASN 39 -24.239 -10.285 -6.223 1.00 0.00 ATOM 329 OD1 ASN 39 -23.825 -8.238 -5.395 1.00 0.00 ATOM 330 O ASN 39 -27.709 -5.918 -6.910 1.00 0.00 ATOM 331 C ASN 39 -27.755 -6.868 -6.164 1.00 0.00 ATOM 332 N LEU 40 -28.903 -7.439 -5.834 1.00 0.00 ATOM 333 CA LEU 40 -30.165 -6.966 -6.391 1.00 0.00 ATOM 334 CB LEU 40 -31.304 -7.931 -6.056 1.00 0.00 ATOM 335 CG LEU 40 -31.241 -9.309 -6.714 1.00 0.00 ATOM 336 CD1 LEU 40 -32.325 -10.221 -6.159 1.00 0.00 ATOM 337 CD2 LEU 40 -31.438 -9.198 -8.218 1.00 0.00 ATOM 338 O LEU 40 -30.931 -4.696 -6.566 1.00 0.00 ATOM 339 C LEU 40 -30.460 -5.579 -5.841 1.00 0.00 ATOM 340 N ALA 41 -30.189 -5.387 -4.556 1.00 0.00 ATOM 341 CA ALA 41 -30.445 -4.092 -3.933 1.00 0.00 ATOM 342 CB ALA 41 -30.101 -4.129 -2.451 1.00 0.00 ATOM 343 O ALA 41 -30.034 -1.873 -4.752 1.00 0.00 ATOM 344 C ALA 41 -29.612 -3.015 -4.622 1.00 0.00 ATOM 345 N GLU 42 -28.394 -3.348 -5.054 1.00 0.00 ATOM 346 CA GLU 42 -27.530 -2.364 -5.693 1.00 0.00 ATOM 347 CB GLU 42 -26.179 -2.988 -6.045 1.00 0.00 ATOM 348 CG GLU 42 -25.300 -3.287 -4.839 1.00 0.00 ATOM 349 CD GLU 42 -24.012 -3.989 -5.218 1.00 0.00 ATOM 350 OE1 GLU 42 -23.836 -4.308 -6.413 1.00 0.00 ATOM 351 OE2 GLU 42 -23.178 -4.223 -4.319 1.00 0.00 ATOM 352 O GLU 42 -27.887 -0.660 -7.343 1.00 0.00 ATOM 353 C GLU 42 -28.123 -1.812 -6.984 1.00 0.00 ATOM 354 N MET 43 -28.879 -2.642 -7.692 1.00 0.00 ATOM 355 CA MET 43 -29.480 -2.232 -8.954 1.00 0.00 ATOM 356 CB MET 43 -29.678 -3.442 -9.870 1.00 0.00 ATOM 357 CG MET 43 -28.387 -4.129 -10.281 1.00 0.00 ATOM 358 SD MET 43 -27.256 -3.022 -11.148 1.00 0.00 ATOM 359 CE MET 43 -28.160 -2.737 -12.666 1.00 0.00 ATOM 360 O MET 43 -31.316 -0.855 -9.635 1.00 0.00 ATOM 361 C MET 43 -30.821 -1.504 -8.715 1.00 0.00 ATOM 362 N VAL 44 -31.480 -1.615 -7.488 1.00 0.00 ATOM 363 CA VAL 44 -32.852 -1.093 -7.276 1.00 0.00 ATOM 364 CB VAL 44 -33.282 -1.233 -5.805 1.00 0.00 ATOM 365 CG1 VAL 44 -34.595 -0.502 -5.562 1.00 0.00 ATOM 366 CG2 VAL 44 -33.473 -2.697 -5.441 1.00 0.00 ATOM 367 O VAL 44 -33.815 0.740 -8.495 1.00 0.00 ATOM 368 C VAL 44 -33.023 0.391 -7.620 1.00 0.00 ATOM 369 N GLY 45 -32.288 1.263 -6.934 1.00 0.00 ATOM 370 CA GLY 45 -32.385 2.702 -7.183 1.00 0.00 ATOM 371 O GLY 45 -32.681 3.907 -9.241 1.00 0.00 ATOM 372 C GLY 45 -32.009 3.084 -8.617 1.00 0.00 ATOM 373 N GLU 46 -30.925 2.504 -9.156 1.00 0.00 ATOM 374 CA GLU 46 -30.538 2.840 -10.532 1.00 0.00 ATOM 375 CB GLU 46 -29.265 2.090 -10.929 1.00 0.00 ATOM 376 CG GLU 46 -28.009 2.590 -10.236 1.00 0.00 ATOM 377 CD GLU 46 -26.791 1.748 -10.558 1.00 0.00 ATOM 378 OE1 GLU 46 -26.943 0.729 -11.266 1.00 0.00 ATOM 379 OE2 GLU 46 -25.683 2.104 -10.105 1.00 0.00 ATOM 380 O GLU 46 -31.889 3.177 -12.499 1.00 0.00 ATOM 381 C GLU 46 -31.634 2.460 -11.529 1.00 0.00 ATOM 382 N MET 47 -32.250 1.304 -11.304 1.00 0.00 ATOM 383 CA MET 47 -33.311 0.822 -12.178 1.00 0.00 ATOM 384 CB MET 47 -33.717 -0.603 -11.792 1.00 0.00 ATOM 385 CG MET 47 -32.657 -1.651 -12.091 1.00 0.00 ATOM 386 SD MET 47 -32.252 -1.750 -13.845 1.00 0.00 ATOM 387 CE MET 47 -33.772 -2.425 -14.507 1.00 0.00 ATOM 388 O MET 47 -35.179 2.032 -13.078 1.00 0.00 ATOM 389 C MET 47 -34.541 1.716 -12.073 1.00 0.00 ATOM 390 N ASN 48 -34.875 2.120 -10.852 1.00 0.00 ATOM 391 CA ASN 48 -36.033 2.974 -10.639 1.00 0.00 ATOM 392 CB ASN 48 -36.256 3.214 -9.145 1.00 0.00 ATOM 393 CG ASN 48 -36.798 1.992 -8.432 1.00 0.00 ATOM 394 ND2 ASN 48 -36.641 1.958 -7.114 1.00 0.00 ATOM 395 OD1 ASN 48 -37.352 1.090 -9.062 1.00 0.00 ATOM 396 O ASN 48 -36.751 4.858 -11.951 1.00 0.00 ATOM 397 C ASN 48 -35.829 4.324 -11.332 1.00 0.00 ATOM 398 N LYS 49 -34.634 4.861 -11.245 1.00 0.00 ATOM 399 CA LYS 49 -34.336 6.144 -11.871 1.00 0.00 ATOM 400 CB LYS 49 -32.956 6.646 -11.441 1.00 0.00 ATOM 401 CG LYS 49 -32.876 7.068 -9.984 1.00 0.00 ATOM 402 CD LYS 49 -31.482 7.561 -9.626 1.00 0.00 ATOM 403 CE LYS 49 -31.393 7.951 -8.161 1.00 0.00 ATOM 404 NZ LYS 49 -30.026 8.413 -7.790 1.00 0.00 ATOM 405 O LYS 49 -34.920 6.885 -14.070 1.00 0.00 ATOM 406 C LYS 49 -34.356 6.035 -13.390 1.00 0.00 ATOM 407 N LEU 50 -33.745 4.981 -13.920 1.00 0.00 ATOM 408 CA LEU 50 -33.685 4.785 -15.365 1.00 0.00 ATOM 409 CB LEU 50 -32.883 3.526 -15.702 1.00 0.00 ATOM 410 CG LEU 50 -31.379 3.587 -15.428 1.00 0.00 ATOM 411 CD1 LEU 50 -30.740 2.223 -15.633 1.00 0.00 ATOM 412 CD2 LEU 50 -30.701 4.575 -16.364 1.00 0.00 ATOM 413 O LEU 50 -35.340 5.253 -17.089 1.00 0.00 ATOM 414 C LEU 50 -35.074 4.701 -15.995 1.00 0.00 ATOM 415 N LEU 51 -36.057 4.001 -15.215 1.00 0.00 ATOM 416 CA LEU 51 -37.425 3.819 -15.742 1.00 0.00 ATOM 417 CB LEU 51 -37.831 2.350 -15.592 1.00 0.00 ATOM 418 CG LEU 51 -36.953 1.327 -16.317 1.00 0.00 ATOM 419 CD1 LEU 51 -37.397 -0.090 -15.989 1.00 0.00 ATOM 420 CD2 LEU 51 -37.040 1.516 -17.824 1.00 0.00 ATOM 421 O LEU 51 -39.706 4.474 -15.382 1.00 0.00 ATOM 422 C LEU 51 -38.523 4.647 -15.081 1.00 0.00 ATOM 423 N GLU 52 -38.128 5.555 -14.193 1.00 0.00 ATOM 424 CA GLU 52 -39.091 6.406 -13.513 1.00 0.00 ATOM 425 CB GLU 52 -39.901 7.225 -14.521 1.00 0.00 ATOM 426 CG GLU 52 -39.067 8.186 -15.352 1.00 0.00 ATOM 427 CD GLU 52 -39.905 9.001 -16.317 1.00 0.00 ATOM 428 OE1 GLU 52 -41.132 8.771 -16.379 1.00 0.00 ATOM 429 OE2 GLU 52 -39.337 9.870 -17.010 1.00 0.00 ATOM 430 O GLU 52 -41.250 6.024 -12.550 1.00 0.00 ATOM 431 C GLU 52 -40.081 5.648 -12.649 1.00 0.00 ATOM 432 N PRO 53 -39.608 4.582 -12.011 1.00 0.00 ATOM 433 CA PRO 53 -40.460 3.760 -11.160 1.00 0.00 ATOM 434 CB PRO 53 -40.379 2.430 -11.805 1.00 0.00 ATOM 435 CG PRO 53 -38.894 2.375 -12.302 1.00 0.00 ATOM 436 CD PRO 53 -38.380 3.842 -12.363 1.00 0.00 ATOM 437 O PRO 53 -39.750 5.310 -9.422 1.00 0.00 ATOM 438 C PRO 53 -40.592 4.486 -9.803 1.00 0.00 ATOM 439 N SER 54 -41.698 4.201 -9.120 1.00 0.00 ATOM 440 CA SER 54 -41.997 4.889 -7.878 1.00 0.00 ATOM 441 CB SER 54 -43.400 5.492 -7.796 1.00 0.00 ATOM 442 OG SER 54 -43.560 6.543 -8.732 1.00 0.00 ATOM 443 O SER 54 -41.441 4.195 -5.651 1.00 0.00 ATOM 444 C SER 54 -41.908 3.871 -6.741 1.00 0.00 ATOM 445 N GLN 55 -42.355 2.646 -6.989 1.00 0.00 ATOM 446 CA GLN 55 -42.345 1.626 -5.948 1.00 0.00 ATOM 447 CB GLN 55 -43.621 1.369 -5.409 1.00 0.00 ATOM 448 CG GLN 55 -43.773 2.318 -4.245 1.00 0.00 ATOM 449 CD GLN 55 -45.061 2.077 -3.485 1.00 0.00 ATOM 450 OE1 GLN 55 -46.158 2.188 -4.040 1.00 0.00 ATOM 451 NE2 GLN 55 -44.937 1.740 -2.208 1.00 0.00 ATOM 452 O GLN 55 -42.542 -0.337 -7.320 1.00 0.00 ATOM 453 C GLN 55 -41.875 0.281 -6.492 1.00 0.00 ATOM 454 N VAL 56 -40.719 -0.166 -6.010 1.00 0.00 ATOM 455 CA VAL 56 -40.142 -1.433 -6.445 1.00 0.00 ATOM 456 CB VAL 56 -39.101 -1.250 -7.564 1.00 0.00 ATOM 457 CG1 VAL 56 -38.495 -2.589 -7.955 1.00 0.00 ATOM 458 CG2 VAL 56 -39.747 -0.636 -8.796 1.00 0.00 ATOM 459 O VAL 56 -38.864 -1.412 -4.416 1.00 0.00 ATOM 460 C VAL 56 -39.464 -2.089 -5.254 1.00 0.00 ATOM 461 N HIS 57 -39.555 -3.411 -5.180 1.00 0.00 ATOM 462 CA HIS 57 -38.920 -4.120 -4.086 1.00 0.00 ATOM 463 CB HIS 57 -39.947 -4.477 -3.011 1.00 0.00 ATOM 464 CG HIS 57 -40.633 -3.290 -2.411 1.00 0.00 ATOM 465 CD2 HIS 57 -41.917 -2.628 -2.593 1.00 0.00 ATOM 466 ND1 HIS 57 -40.053 -2.512 -1.432 1.00 0.00 ATOM 467 CE1 HIS 57 -40.903 -1.527 -1.094 1.00 0.00 ATOM 468 NE2 HIS 57 -42.024 -1.590 -1.787 1.00 0.00 ATOM 469 O HIS 57 -38.433 -5.753 -5.754 1.00 0.00 ATOM 470 C HIS 57 -38.282 -5.401 -4.584 1.00 0.00 ATOM 471 N LEU 58 -37.569 -6.071 -3.692 1.00 0.00 ATOM 472 CA LEU 58 -36.929 -7.330 -4.068 1.00 0.00 ATOM 473 CB LEU 58 -35.774 -7.649 -3.117 1.00 0.00 ATOM 474 CG LEU 58 -34.611 -6.655 -3.104 1.00 0.00 ATOM 475 CD1 LEU 58 -33.585 -7.042 -2.050 1.00 0.00 ATOM 476 CD2 LEU 58 -33.915 -6.624 -4.456 1.00 0.00 ATOM 477 O LEU 58 -38.750 -8.548 -3.088 1.00 0.00 ATOM 478 C LEU 58 -37.939 -8.466 -4.009 1.00 0.00 ATOM 479 N LYS 59 -37.855 -9.348 -5.009 1.00 0.00 ATOM 480 CA LYS 59 -38.755 -10.484 -5.105 1.00 0.00 ATOM 481 CB LYS 59 -39.709 -10.816 -5.845 1.00 0.00 ATOM 482 CG LYS 59 -40.145 -12.261 -5.583 1.00 0.00 ATOM 483 CD LYS 59 -41.387 -12.700 -6.366 1.00 0.00 ATOM 484 CE LYS 59 -42.085 -13.925 -5.751 1.00 0.00 ATOM 485 NZ LYS 59 -43.223 -14.488 -6.534 1.00 0.00 ATOM 486 O LYS 59 -36.988 -12.072 -5.382 1.00 0.00 ATOM 487 C LYS 59 -37.990 -11.744 -4.746 1.00 0.00 ATOM 488 N PHE 60 -38.503 -12.480 -3.769 1.00 0.00 ATOM 489 CA PHE 60 -37.875 -13.717 -3.321 1.00 0.00 ATOM 490 CB PHE 60 -37.516 -13.622 -1.830 1.00 0.00 ATOM 491 CG PHE 60 -36.589 -12.491 -1.502 1.00 0.00 ATOM 492 CD1 PHE 60 -37.078 -11.209 -1.262 1.00 0.00 ATOM 493 CD2 PHE 60 -35.217 -12.707 -1.457 1.00 0.00 ATOM 494 CE1 PHE 60 -36.207 -10.159 -0.980 1.00 0.00 ATOM 495 CE2 PHE 60 -34.341 -11.666 -1.177 1.00 0.00 ATOM 496 CZ PHE 60 -34.830 -10.394 -0.939 1.00 0.00 ATOM 497 O PHE 60 -39.989 -14.816 -3.557 1.00 0.00 ATOM 498 C PHE 60 -38.768 -14.895 -3.686 1.00 0.00 ATOM 499 N GLU 61 -38.164 -15.984 -4.154 1.00 0.00 ATOM 500 CA GLU 61 -38.946 -17.156 -4.509 1.00 0.00 ATOM 501 CB GLU 61 -39.169 -17.221 -6.023 1.00 0.00 ATOM 502 CG GLU 61 -39.904 -16.010 -6.586 1.00 0.00 ATOM 503 CD GLU 61 -40.796 -16.363 -7.759 1.00 0.00 ATOM 504 OE1 GLU 61 -41.725 -17.179 -7.571 1.00 0.00 ATOM 505 OE2 GLU 61 -40.571 -15.829 -8.867 1.00 0.00 ATOM 506 O GLU 61 -37.105 -18.620 -4.048 1.00 0.00 ATOM 507 C GLU 61 -38.323 -18.442 -3.996 1.00 0.00 ATOM 508 N LEU 62 -39.168 -19.296 -3.475 1.00 0.00 ATOM 509 CA LEU 62 -38.702 -20.562 -2.935 1.00 0.00 ATOM 510 CB LEU 62 -38.613 -20.481 -1.410 1.00 0.00 ATOM 511 CG LEU 62 -37.923 -21.603 -0.631 1.00 0.00 ATOM 512 CD1 LEU 62 -36.505 -21.824 -1.146 1.00 0.00 ATOM 513 CD2 LEU 62 -37.900 -21.224 0.844 1.00 0.00 ATOM 514 O LEU 62 -40.886 -21.460 -3.037 1.00 0.00 ATOM 515 C LEU 62 -39.721 -21.583 -3.326 1.00 0.00 ATOM 516 N HIS 63 -39.256 -22.625 -3.963 1.00 0.00 ATOM 517 CA HIS 63 -40.083 -23.760 -4.277 1.00 0.00 ATOM 518 CB HIS 63 -39.886 -24.286 -5.689 1.00 0.00 ATOM 519 CG HIS 63 -40.831 -25.370 -6.098 1.00 0.00 ATOM 520 CD2 HIS 63 -41.954 -25.333 -6.855 1.00 0.00 ATOM 521 ND1 HIS 63 -40.684 -26.678 -5.692 1.00 0.00 ATOM 522 CE1 HIS 63 -41.676 -27.401 -6.181 1.00 0.00 ATOM 523 NE2 HIS 63 -42.460 -26.609 -6.890 1.00 0.00 ATOM 524 O HIS 63 -38.776 -25.449 -3.226 1.00 0.00 ATOM 525 C HIS 63 -39.802 -24.761 -3.216 1.00 0.00 ATOM 526 N ASP 64 -40.725 -24.828 -2.281 1.00 0.00 ATOM 527 CA ASP 64 -40.511 -25.662 -1.116 1.00 0.00 ATOM 528 CB ASP 64 -41.547 -25.356 -0.039 1.00 0.00 ATOM 529 CG ASP 64 -42.989 -25.501 -0.497 1.00 0.00 ATOM 530 OD1 ASP 64 -43.297 -25.112 -1.643 1.00 0.00 ATOM 531 OD2 ASP 64 -43.800 -26.005 0.308 1.00 0.00 ATOM 532 O ASP 64 -39.958 -27.996 -0.793 1.00 0.00 ATOM 533 C ASP 64 -40.560 -27.154 -1.476 1.00 0.00 ATOM 534 N LYS 65 -41.258 -27.495 -2.532 1.00 0.00 ATOM 535 CA LYS 65 -41.320 -28.884 -3.009 1.00 0.00 ATOM 536 CB LYS 65 -42.366 -28.971 -4.138 1.00 0.00 ATOM 537 CG LYS 65 -42.396 -30.311 -4.855 1.00 0.00 ATOM 538 CD LYS 65 -43.532 -30.362 -5.866 1.00 0.00 ATOM 539 CE LYS 65 -43.578 -31.710 -6.569 1.00 0.00 ATOM 540 NZ LYS 65 -44.756 -31.818 -7.474 1.00 0.00 ATOM 541 O LYS 65 -39.611 -30.550 -3.128 1.00 0.00 ATOM 542 C LYS 65 -39.968 -29.425 -3.465 1.00 0.00 ATOM 543 N LEU 66 -39.219 -28.625 -4.220 1.00 0.00 ATOM 544 CA LEU 66 -37.910 -29.027 -4.727 1.00 0.00 ATOM 545 CB LEU 66 -37.706 -28.722 -6.186 1.00 0.00 ATOM 546 CG LEU 66 -38.561 -29.561 -7.148 1.00 0.00 ATOM 547 CD1 LEU 66 -38.393 -29.049 -8.584 1.00 0.00 ATOM 548 CD2 LEU 66 -38.141 -31.034 -7.041 1.00 0.00 ATOM 549 O LEU 66 -35.596 -28.673 -4.206 1.00 0.00 ATOM 550 C LEU 66 -36.769 -28.391 -3.951 1.00 0.00 ATOM 551 N ASN 67 -37.122 -27.526 -3.025 1.00 0.00 ATOM 552 CA ASN 67 -36.117 -26.856 -2.225 1.00 0.00 ATOM 553 CB ASN 67 -35.445 -27.803 -1.123 1.00 0.00 ATOM 554 CG ASN 67 -36.389 -28.749 -0.387 1.00 0.00 ATOM 555 ND2 ASN 67 -36.316 -30.032 -0.714 1.00 0.00 ATOM 556 OD1 ASN 67 -37.178 -28.325 0.461 1.00 0.00 ATOM 557 O ASN 67 -33.956 -26.103 -2.956 1.00 0.00 ATOM 558 C ASN 67 -35.169 -26.142 -3.154 1.00 0.00 ATOM 559 N GLU 68 -35.819 -25.342 -4.017 1.00 0.00 ATOM 560 CA GLU 68 -35.056 -24.502 -4.945 1.00 0.00 ATOM 561 CB GLU 68 -35.247 -25.056 -6.365 1.00 0.00 ATOM 562 CG GLU 68 -34.581 -26.446 -6.557 1.00 0.00 ATOM 563 CD GLU 68 -34.807 -27.007 -7.926 1.00 0.00 ATOM 564 OE1 GLU 68 -33.840 -27.101 -8.703 1.00 0.00 ATOM 565 OE2 GLU 68 -35.972 -27.329 -8.238 1.00 0.00 ATOM 566 O GLU 68 -36.499 -22.704 -4.294 1.00 0.00 ATOM 567 C GLU 68 -35.407 -23.038 -4.764 1.00 0.00 ATOM 568 N TYR 69 -34.324 -21.875 -5.107 1.00 0.00 ATOM 569 CA TYR 69 -34.519 -20.444 -4.934 1.00 0.00 ATOM 570 CB TYR 69 -33.366 -19.615 -4.450 1.00 0.00 ATOM 571 CG TYR 69 -33.182 -19.695 -2.951 1.00 0.00 ATOM 572 CD1 TYR 69 -32.376 -20.676 -2.385 1.00 0.00 ATOM 573 CD2 TYR 69 -33.851 -18.816 -2.099 1.00 0.00 ATOM 574 CE1 TYR 69 -32.236 -20.791 -1.015 1.00 0.00 ATOM 575 CE2 TYR 69 -33.719 -18.923 -0.718 1.00 0.00 ATOM 576 CZ TYR 69 -32.911 -19.914 -0.186 1.00 0.00 ATOM 577 OH TYR 69 -32.778 -20.051 1.173 1.00 0.00 ATOM 578 O TYR 69 -33.758 -19.904 -7.126 1.00 0.00 ATOM 579 C TYR 69 -34.567 -19.645 -6.242 1.00 0.00 ATOM 580 N TYR 70 -35.554 -18.782 -6.353 1.00 0.00 ATOM 581 CA TYR 70 -35.713 -17.926 -7.554 1.00 0.00 ATOM 582 CB TYR 70 -37.111 -18.035 -8.110 1.00 0.00 ATOM 583 CG TYR 70 -37.410 -19.414 -8.640 1.00 0.00 ATOM 584 CD1 TYR 70 -36.962 -19.811 -9.897 1.00 0.00 ATOM 585 CD2 TYR 70 -38.119 -20.340 -7.870 1.00 0.00 ATOM 586 CE1 TYR 70 -37.231 -21.074 -10.404 1.00 0.00 ATOM 587 CE2 TYR 70 -38.375 -21.606 -8.359 1.00 0.00 ATOM 588 CZ TYR 70 -37.941 -21.970 -9.622 1.00 0.00 ATOM 589 OH TYR 70 -38.249 -23.209 -10.125 1.00 0.00 ATOM 590 O TYR 70 -36.252 -16.233 -5.915 1.00 0.00 ATOM 591 C TYR 70 -35.605 -16.544 -6.928 1.00 0.00 ATOM 592 N VAL 71 -34.798 -15.676 -7.526 1.00 0.00 ATOM 593 CA VAL 71 -34.589 -14.363 -6.897 1.00 0.00 ATOM 594 CB VAL 71 -33.337 -14.335 -5.921 1.00 0.00 ATOM 595 CG1 VAL 71 -33.255 -13.015 -5.136 1.00 0.00 ATOM 596 CG2 VAL 71 -33.339 -15.473 -4.937 1.00 0.00 ATOM 597 O VAL 71 -33.605 -13.034 -8.633 1.00 0.00 ATOM 598 C VAL 71 -34.572 -13.207 -7.888 1.00 0.00 ATOM 599 N LYS 72 -35.536 -12.026 -7.851 1.00 0.00 ATOM 600 CA LYS 72 -35.636 -10.897 -8.774 1.00 0.00 ATOM 601 CB LYS 72 -36.597 -11.332 -9.884 1.00 0.00 ATOM 602 CG LYS 72 -36.792 -10.293 -10.978 1.00 0.00 ATOM 603 CD LYS 72 -35.539 -10.149 -11.828 1.00 0.00 ATOM 604 CE LYS 72 -35.767 -9.189 -12.984 1.00 0.00 ATOM 605 NZ LYS 72 -34.544 -9.023 -13.817 1.00 0.00 ATOM 606 O LYS 72 -35.910 -9.325 -6.994 1.00 0.00 ATOM 607 C LYS 72 -36.199 -9.645 -8.145 1.00 0.00 ATOM 608 N VAL 73 -37.088 -9.027 -8.878 1.00 0.00 ATOM 609 CA VAL 73 -37.688 -7.779 -8.436 1.00 0.00 ATOM 610 CB VAL 73 -37.089 -6.570 -9.179 1.00 0.00 ATOM 611 CG1 VAL 73 -35.604 -6.443 -8.880 1.00 0.00 ATOM 612 CG2 VAL 73 -37.265 -6.729 -10.681 1.00 0.00 ATOM 613 O VAL 73 -39.665 -8.392 -9.613 1.00 0.00 ATOM 614 C VAL 73 -39.181 -7.766 -8.679 1.00 0.00 ATOM 615 N ILE 74 -39.865 -7.010 -7.915 1.00 0.00 ATOM 616 CA ILE 74 -41.296 -6.849 -8.110 1.00 0.00 ATOM 617 CB ILE 74 -42.095 -7.433 -6.930 1.00 0.00 ATOM 618 CG1 ILE 74 -41.809 -8.929 -6.781 1.00 0.00 ATOM 619 CG2 ILE 74 -43.588 -7.248 -7.153 1.00 0.00 ATOM 620 CD1 ILE 74 -42.396 -9.540 -5.527 1.00 0.00 ATOM 621 O ILE 74 -41.121 -4.601 -7.310 1.00 0.00 ATOM 622 C ILE 74 -41.505 -5.356 -8.202 1.00 0.00 ATOM 623 N GLU 75 -42.083 -4.945 -9.322 1.00 0.00 ATOM 624 CA GLU 75 -42.345 -3.549 -9.607 1.00 0.00 ATOM 625 CB GLU 75 -41.972 -3.228 -11.056 1.00 0.00 ATOM 626 CG GLU 75 -40.487 -3.353 -11.355 1.00 0.00 ATOM 627 CD GLU 75 -40.145 -2.954 -12.778 1.00 0.00 ATOM 628 OE1 GLU 75 -41.076 -2.640 -13.546 1.00 0.00 ATOM 629 OE2 GLU 75 -38.944 -2.959 -13.123 1.00 0.00 ATOM 630 O GLU 75 -44.681 -3.994 -9.848 1.00 0.00 ATOM 631 C GLU 75 -43.815 -3.234 -9.413 1.00 0.00 ATOM 632 N ASP 76 -44.090 -2.131 -8.731 1.00 0.00 ATOM 633 CA ASP 76 -45.459 -1.696 -8.525 1.00 0.00 ATOM 634 CB ASP 76 -45.647 -1.202 -7.090 1.00 0.00 ATOM 635 CG ASP 76 -47.072 -0.771 -6.804 1.00 0.00 ATOM 636 OD1 ASP 76 -47.890 -0.758 -7.747 1.00 0.00 ATOM 637 OD2 ASP 76 -47.371 -0.447 -5.636 1.00 0.00 ATOM 638 O ASP 76 -45.261 0.559 -9.294 1.00 0.00 ATOM 639 C ASP 76 -45.660 -0.579 -9.534 1.00 0.00 ATOM 640 N SER 77 -46.283 -0.909 -10.656 1.00 0.00 ATOM 641 CA SER 77 -46.527 0.073 -11.702 1.00 0.00 ATOM 642 CB SER 77 -46.223 -0.521 -13.079 1.00 0.00 ATOM 643 OG SER 77 -46.500 0.412 -14.109 1.00 0.00 ATOM 644 O SER 77 -48.876 -0.263 -12.080 1.00 0.00 ATOM 645 C SER 77 -47.997 0.459 -11.605 1.00 0.00 ATOM 646 N THR 78 -48.254 1.586 -10.950 1.00 0.00 ATOM 647 CA THR 78 -49.607 2.089 -10.765 1.00 0.00 ATOM 648 CB THR 78 -50.190 2.604 -12.094 1.00 0.00 ATOM 649 CG2 THR 78 -49.303 3.692 -12.680 1.00 0.00 ATOM 650 OG1 THR 78 -50.278 1.523 -13.031 1.00 0.00 ATOM 651 O THR 78 -51.551 0.676 -10.870 1.00 0.00 ATOM 652 C THR 78 -50.546 1.006 -10.240 1.00 0.00 ATOM 653 N ASN 79 -50.293 0.337 -8.995 1.00 0.00 ATOM 654 CA ASN 79 -51.067 -0.727 -8.364 1.00 0.00 ATOM 655 CB ASN 79 -52.557 -0.383 -8.374 1.00 0.00 ATOM 656 CG ASN 79 -52.884 0.814 -7.503 1.00 0.00 ATOM 657 ND2 ASN 79 -53.979 1.494 -7.822 1.00 0.00 ATOM 658 OD1 ASN 79 -52.160 1.121 -6.556 1.00 0.00 ATOM 659 O ASN 79 -51.324 -3.104 -8.448 1.00 0.00 ATOM 660 C ASN 79 -50.927 -2.093 -9.027 1.00 0.00 ATOM 661 N GLU 80 -50.418 -2.130 -10.254 1.00 0.00 ATOM 662 CA GLU 80 -50.225 -3.413 -10.922 1.00 0.00 ATOM 663 CB GLU 80 -50.248 -3.228 -12.442 1.00 0.00 ATOM 664 CG GLU 80 -50.092 -4.521 -13.226 1.00 0.00 ATOM 665 CD GLU 80 -50.089 -4.295 -14.724 1.00 0.00 ATOM 666 OE1 GLU 80 -50.202 -3.126 -15.150 1.00 0.00 ATOM 667 OE2 GLU 80 -49.971 -5.287 -15.475 1.00 0.00 ATOM 668 O GLU 80 -47.851 -3.316 -10.608 1.00 0.00 ATOM 669 C GLU 80 -48.876 -3.987 -10.501 1.00 0.00 ATOM 670 N VAL 81 -48.883 -5.225 -10.022 1.00 0.00 ATOM 671 CA VAL 81 -47.654 -5.873 -9.578 1.00 0.00 ATOM 672 CB VAL 81 -47.912 -6.803 -8.377 1.00 0.00 ATOM 673 CG1 VAL 81 -46.625 -7.495 -7.952 1.00 0.00 ATOM 674 CG2 VAL 81 -48.445 -6.011 -7.194 1.00 0.00 ATOM 675 O VAL 81 -47.702 -7.624 -11.215 1.00 0.00 ATOM 676 C VAL 81 -47.060 -6.707 -10.704 1.00 0.00 ATOM 677 N ILE 82 -45.834 -6.377 -11.099 1.00 0.00 ATOM 678 CA ILE 82 -45.155 -7.110 -12.158 1.00 0.00 ATOM 679 CB ILE 82 -44.869 -6.210 -13.374 1.00 0.00 ATOM 680 CG1 ILE 82 -46.176 -5.673 -13.959 1.00 0.00 ATOM 681 CG2 ILE 82 -44.139 -6.991 -14.456 1.00 0.00 ATOM 682 CD1 ILE 82 -45.979 -4.602 -15.011 1.00 0.00 ATOM 683 O ILE 82 -43.017 -6.836 -11.118 1.00 0.00 ATOM 684 C ILE 82 -43.836 -7.618 -11.600 1.00 0.00 ATOM 685 N ARG 83 -43.608 -8.918 -11.724 1.00 0.00 ATOM 686 CA ARG 83 -42.392 -9.522 -11.196 1.00 0.00 ATOM 687 CB ARG 83 -42.732 -10.739 -10.296 1.00 0.00 ATOM 688 CG ARG 83 -43.634 -10.370 -9.124 1.00 0.00 ATOM 689 CD ARG 83 -43.735 -11.474 -8.072 1.00 0.00 ATOM 690 NE ARG 83 -44.534 -11.041 -6.938 1.00 0.00 ATOM 691 CZ ARG 83 -45.863 -11.053 -6.859 1.00 0.00 ATOM 692 NH1 ARG 83 -46.581 -11.511 -7.853 1.00 0.00 ATOM 693 NH2 ARG 83 -46.436 -10.580 -5.747 1.00 0.00 ATOM 694 O ARG 83 -41.950 -10.603 -13.294 1.00 0.00 ATOM 695 C ARG 83 -41.484 -10.069 -12.288 1.00 0.00 ATOM 696 N GLU 84 -40.183 -9.896 -12.104 1.00 0.00 ATOM 697 CA GLU 84 -39.217 -10.418 -13.058 1.00 0.00 ATOM 698 CB GLU 84 -38.527 -9.281 -13.813 1.00 0.00 ATOM 699 CG GLU 84 -39.460 -8.457 -14.685 1.00 0.00 ATOM 700 CD GLU 84 -38.741 -7.341 -15.417 1.00 0.00 ATOM 701 OE1 GLU 84 -37.513 -7.205 -15.234 1.00 0.00 ATOM 702 OE2 GLU 84 -39.405 -6.603 -16.175 1.00 0.00 ATOM 703 O GLU 84 -37.827 -10.775 -11.144 1.00 0.00 ATOM 704 C GLU 84 -38.214 -11.204 -12.229 1.00 0.00 ATOM 705 N ILE 85 -37.822 -12.380 -12.697 1.00 0.00 ATOM 706 CA ILE 85 -36.889 -13.164 -11.907 1.00 0.00 ATOM 707 CB ILE 85 -37.637 -14.049 -10.867 1.00 0.00 ATOM 708 CG1 ILE 85 -36.644 -14.620 -9.850 1.00 0.00 ATOM 709 CG2 ILE 85 -38.365 -15.180 -11.598 1.00 0.00 ATOM 710 CD1 ILE 85 -37.296 -15.402 -8.728 1.00 0.00 ATOM 711 O ILE 85 -36.427 -14.758 -13.619 1.00 0.00 ATOM 712 C ILE 85 -35.974 -14.114 -12.673 1.00 0.00 ATOM 713 N PRO 86 -34.797 -14.344 -12.125 1.00 0.00 ATOM 714 CA PRO 86 -33.911 -15.392 -12.645 1.00 0.00 ATOM 715 CB PRO 86 -32.520 -14.743 -12.502 1.00 0.00 ATOM 716 CG PRO 86 -32.665 -13.969 -11.239 1.00 0.00 ATOM 717 CD PRO 86 -34.020 -13.313 -11.439 1.00 0.00 ATOM 718 O PRO 86 -34.319 -16.736 -10.700 1.00 0.00 ATOM 719 C PRO 86 -33.953 -16.701 -11.879 1.00 0.00 ATOM 720 N PRO 87 -33.526 -17.794 -12.526 1.00 0.00 ATOM 721 CA PRO 87 -33.516 -19.122 -11.914 1.00 0.00 ATOM 722 CB PRO 87 -33.742 -20.077 -13.086 1.00 0.00 ATOM 723 CG PRO 87 -33.147 -19.377 -14.261 1.00 0.00 ATOM 724 CD PRO 87 -33.322 -17.907 -14.002 1.00 0.00 ATOM 725 O PRO 87 -31.133 -19.080 -11.624 1.00 0.00 ATOM 726 C PRO 87 -32.226 -19.392 -11.149 1.00 0.00 ATOM 727 N LYS 88 -32.353 -20.022 -9.979 1.00 0.00 ATOM 728 CA LYS 88 -31.193 -20.324 -9.155 1.00 0.00 ATOM 729 CB LYS 88 -30.879 -19.260 -8.089 1.00 0.00 ATOM 730 CG LYS 88 -30.558 -17.825 -8.512 1.00 0.00 ATOM 731 CD LYS 88 -30.324 -16.957 -7.283 1.00 0.00 ATOM 732 CE LYS 88 -29.878 -15.533 -7.483 1.00 0.00 ATOM 733 NZ LYS 88 -30.930 -14.757 -8.200 1.00 0.00 ATOM 734 O LYS 88 -32.448 -22.225 -8.434 1.00 0.00 ATOM 735 C LYS 88 -31.334 -21.732 -8.602 1.00 0.00 ATOM 736 N ARG 89 -30.208 -22.350 -8.321 1.00 0.00 ATOM 737 CA ARG 89 -30.218 -23.705 -7.788 1.00 0.00 ATOM 738 CB ARG 89 -29.262 -24.583 -8.598 1.00 0.00 ATOM 739 CG ARG 89 -29.167 -26.018 -8.105 1.00 0.00 ATOM 740 CD ARG 89 -28.240 -26.844 -8.983 1.00 0.00 ATOM 741 NE ARG 89 -28.092 -28.210 -8.488 1.00 0.00 ATOM 742 CZ ARG 89 -27.404 -29.160 -9.113 1.00 0.00 ATOM 743 NH1 ARG 89 -27.325 -30.376 -8.587 1.00 0.00 ATOM 744 NH2 ARG 89 -26.796 -28.892 -10.261 1.00 0.00 ATOM 745 O ARG 89 -28.906 -22.681 -6.072 1.00 0.00 ATOM 746 C ARG 89 -29.769 -23.515 -6.349 1.00 0.00 ATOM 747 N TRP 90 -30.424 -24.210 -5.429 1.00 0.00 ATOM 748 CA TRP 90 -30.070 -24.117 -4.023 1.00 0.00 ATOM 749 CB TRP 90 -31.319 -23.960 -3.154 1.00 0.00 ATOM 750 CG TRP 90 -31.075 -24.168 -1.692 1.00 0.00 ATOM 751 CD1 TRP 90 -29.886 -24.236 -1.052 1.00 0.00 ATOM 752 CD2 TRP 90 -32.081 -24.344 -0.678 1.00 0.00 ATOM 753 CE2 TRP 90 -31.426 -24.535 0.544 1.00 0.00 ATOM 754 CE3 TRP 90 -33.481 -24.360 -0.686 1.00 0.00 ATOM 755 NE1 TRP 90 -30.073 -24.456 0.287 1.00 0.00 ATOM 756 CZ2 TRP 90 -32.120 -24.726 1.748 1.00 0.00 ATOM 757 CZ3 TRP 90 -34.171 -24.564 0.507 1.00 0.00 ATOM 758 CH2 TRP 90 -33.501 -24.739 1.700 1.00 0.00 ATOM 759 O TRP 90 -30.125 -26.497 -3.831 1.00 0.00 ATOM 760 C TRP 90 -29.488 -25.468 -3.629 1.00 0.00 ATOM 761 N LEU 91 -28.162 -25.283 -3.105 1.00 0.00 ATOM 762 CA LEU 91 -27.459 -26.510 -2.747 1.00 0.00 ATOM 763 CB LEU 91 -25.947 -26.319 -2.881 1.00 0.00 ATOM 764 CG LEU 91 -25.433 -25.920 -4.266 1.00 0.00 ATOM 765 CD1 LEU 91 -23.924 -25.742 -4.248 1.00 0.00 ATOM 766 CD2 LEU 91 -25.774 -26.988 -5.294 1.00 0.00 ATOM 767 O LEU 91 -28.521 -26.204 -0.619 1.00 0.00 ATOM 768 C LEU 91 -27.778 -26.903 -1.310 1.00 0.00 ATOM 769 N ASP 92 -27.238 -28.041 -0.843 1.00 0.00 ATOM 770 CA ASP 92 -27.497 -28.518 0.511 1.00 0.00 ATOM 771 CB ASP 92 -26.820 -29.870 0.742 1.00 0.00 ATOM 772 CG ASP 92 -25.317 -29.811 0.543 1.00 0.00 ATOM 773 OD1 ASP 92 -24.879 -29.462 -0.573 1.00 0.00 ATOM 774 OD2 ASP 92 -24.578 -30.114 1.503 1.00 0.00 ATOM 775 O ASP 92 -27.318 -27.716 2.763 1.00 0.00 ATOM 776 C ASP 92 -26.970 -27.577 1.589 1.00 0.00 ATOM 777 N PHE 93 -26.139 -26.621 1.192 1.00 0.00 ATOM 778 CA PHE 93 -25.569 -25.664 2.135 1.00 0.00 ATOM 779 CB PHE 93 -24.162 -25.251 1.702 1.00 0.00 ATOM 780 CG PHE 93 -23.154 -26.363 1.779 1.00 0.00 ATOM 781 CD1 PHE 93 -22.777 -27.055 0.641 1.00 0.00 ATOM 782 CD2 PHE 93 -22.582 -26.715 2.989 1.00 0.00 ATOM 783 CE1 PHE 93 -21.850 -28.077 0.711 1.00 0.00 ATOM 784 CE2 PHE 93 -21.654 -27.738 3.059 1.00 0.00 ATOM 785 CZ PHE 93 -21.287 -28.417 1.927 1.00 0.00 ATOM 786 O PHE 93 -26.042 -23.444 2.922 1.00 0.00 ATOM 787 C PHE 93 -26.414 -24.394 2.235 1.00 0.00 ATOM 788 N TYR 94 -27.666 -24.212 1.640 1.00 0.00 ATOM 789 CA TYR 94 -28.512 -23.031 1.601 1.00 0.00 ATOM 790 CB TYR 94 -28.638 -22.416 2.996 1.00 0.00 ATOM 791 CG TYR 94 -29.218 -23.355 4.029 1.00 0.00 ATOM 792 CD1 TYR 94 -28.406 -23.944 4.990 1.00 0.00 ATOM 793 CD2 TYR 94 -30.576 -23.649 4.041 1.00 0.00 ATOM 794 CE1 TYR 94 -28.928 -24.805 5.938 1.00 0.00 ATOM 795 CE2 TYR 94 -31.115 -24.507 4.982 1.00 0.00 ATOM 796 CZ TYR 94 -30.277 -25.084 5.935 1.00 0.00 ATOM 797 OH TYR 94 -30.799 -25.939 6.878 1.00 0.00 ATOM 798 O TYR 94 -28.572 -20.849 0.629 1.00 0.00 ATOM 799 C TYR 94 -27.997 -21.935 0.688 1.00 0.00 ATOM 800 N ALA 95 -26.890 -22.407 -0.072 1.00 0.00 ATOM 801 CA ALA 95 -26.309 -21.406 -0.961 1.00 0.00 ATOM 802 CB ALA 95 -24.859 -21.740 -1.228 1.00 0.00 ATOM 803 O ALA 95 -27.673 -22.378 -2.685 1.00 0.00 ATOM 804 C ALA 95 -27.029 -21.398 -2.302 1.00 0.00 ATOM 805 N ALA 96 -26.882 -20.302 -3.035 1.00 0.00 ATOM 806 CA ALA 96 -27.527 -20.166 -4.330 1.00 0.00 ATOM 807 CB ALA 96 -28.485 -18.983 -4.323 1.00 0.00 ATOM 808 O ALA 96 -25.523 -19.260 -5.286 1.00 0.00 ATOM 809 C ALA 96 -26.537 -19.941 -5.456 1.00 0.00 ATOM 810 N MET 97 -26.858 -20.510 -6.615 1.00 0.00 ATOM 811 CA MET 97 -26.042 -20.372 -7.809 1.00 0.00 ATOM 812 CB MET 97 -25.250 -21.654 -8.072 1.00 0.00 ATOM 813 CG MET 97 -26.111 -22.848 -8.452 1.00 0.00 ATOM 814 SD MET 97 -25.137 -24.312 -8.846 1.00 0.00 ATOM 815 CE MET 97 -24.504 -24.746 -7.228 1.00 0.00 ATOM 816 O MET 97 -27.964 -20.801 -9.173 1.00 0.00 ATOM 817 C MET 97 -26.958 -20.109 -8.999 1.00 0.00 ATOM 818 N THR 98 -26.626 -19.102 -9.804 1.00 0.00 ATOM 819 CA THR 98 -27.437 -18.774 -10.970 1.00 0.00 ATOM 820 CB THR 98 -27.598 -17.568 -11.503 1.00 0.00 ATOM 821 CG2 THR 98 -27.877 -17.642 -13.001 1.00 0.00 ATOM 822 OG1 THR 98 -28.765 -17.083 -10.833 1.00 0.00 ATOM 823 O THR 98 -26.318 -20.393 -12.350 1.00 0.00 ATOM 824 C THR 98 -27.393 -19.955 -11.932 1.00 0.00 ATOM 825 N GLU 99 -28.670 -20.550 -12.198 1.00 0.00 ATOM 826 CA GLU 99 -28.774 -21.707 -13.079 1.00 0.00 ATOM 827 CB GLU 99 -30.109 -22.424 -12.866 1.00 0.00 ATOM 828 CG GLU 99 -30.270 -23.039 -11.486 1.00 0.00 ATOM 829 CD GLU 99 -31.623 -23.695 -11.293 1.00 0.00 ATOM 830 OE1 GLU 99 -32.428 -23.684 -12.248 1.00 0.00 ATOM 831 OE2 GLU 99 -31.879 -24.218 -10.188 1.00 0.00 ATOM 832 O GLU 99 -28.087 -22.125 -15.331 1.00 0.00 ATOM 833 C GLU 99 -28.676 -21.371 -14.558 1.00 0.00 ATOM 834 N PHE 100 -29.242 -20.241 -14.957 1.00 0.00 ATOM 835 CA PHE 100 -29.239 -19.863 -16.361 1.00 0.00 ATOM 836 CB PHE 100 -30.389 -20.563 -17.087 1.00 0.00 ATOM 837 CG PHE 100 -30.462 -20.249 -18.555 1.00 0.00 ATOM 838 CD1 PHE 100 -29.640 -20.900 -19.459 1.00 0.00 ATOM 839 CD2 PHE 100 -31.352 -19.302 -19.031 1.00 0.00 ATOM 840 CE1 PHE 100 -29.707 -20.610 -20.808 1.00 0.00 ATOM 841 CE2 PHE 100 -31.418 -19.012 -20.381 1.00 0.00 ATOM 842 CZ PHE 100 -30.601 -19.661 -21.267 1.00 0.00 ATOM 843 O PHE 100 -30.117 -17.725 -15.741 1.00 0.00 ATOM 844 C PHE 100 -29.416 -18.358 -16.528 1.00 0.00 ATOM 845 N LEU 101 -28.592 -17.785 -17.307 1.00 0.00 ATOM 846 CA LEU 101 -28.742 -16.357 -17.576 1.00 0.00 ATOM 847 CB LEU 101 -27.597 -15.866 -18.405 1.00 0.00 ATOM 848 CG LEU 101 -26.282 -15.837 -17.621 1.00 0.00 ATOM 849 CD1 LEU 101 -25.118 -15.579 -18.565 1.00 0.00 ATOM 850 CD2 LEU 101 -26.328 -14.780 -16.514 1.00 0.00 ATOM 851 O LEU 101 -30.086 -15.898 -19.517 1.00 0.00 ATOM 852 C LEU 101 -30.059 -16.137 -18.311 1.00 0.00 ATOM 853 N GLY 102 -31.205 -16.369 -17.540 1.00 0.00 ATOM 854 CA GLY 102 -32.525 -16.161 -18.120 1.00 0.00 ATOM 855 O GLY 102 -33.550 -16.121 -15.955 1.00 0.00 ATOM 856 C GLY 102 -33.508 -15.638 -17.087 1.00 0.00 ATOM 857 N LEU 103 -34.285 -14.624 -17.526 1.00 0.00 ATOM 858 CA LEU 103 -35.279 -14.071 -16.622 1.00 0.00 ATOM 859 CB LEU 103 -35.285 -12.560 -16.770 1.00 0.00 ATOM 860 CG LEU 103 -35.950 -11.772 -15.644 1.00 0.00 ATOM 861 CD1 LEU 103 -35.179 -11.997 -14.352 1.00 0.00 ATOM 862 CD2 LEU 103 -35.966 -10.292 -15.991 1.00 0.00 ATOM 863 O LEU 103 -36.926 -14.393 -18.328 1.00 0.00 ATOM 864 C LEU 103 -36.679 -14.371 -17.122 1.00 0.00 ATOM 865 N PHE 104 -37.590 -14.604 -16.182 1.00 0.00 ATOM 866 CA PHE 104 -38.986 -14.878 -16.484 1.00 0.00 ATOM 867 CB PHE 104 -39.415 -16.202 -15.851 1.00 0.00 ATOM 868 CG PHE 104 -38.689 -17.398 -16.396 1.00 0.00 ATOM 869 CD1 PHE 104 -37.533 -17.860 -15.790 1.00 0.00 ATOM 870 CD2 PHE 104 -39.160 -18.062 -17.515 1.00 0.00 ATOM 871 CE1 PHE 104 -36.863 -18.960 -16.292 1.00 0.00 ATOM 872 CE2 PHE 104 -38.492 -19.162 -18.016 1.00 0.00 ATOM 873 CZ PHE 104 -37.348 -19.612 -17.410 1.00 0.00 ATOM 874 O PHE 104 -39.501 -13.262 -14.795 1.00 0.00 ATOM 875 C PHE 104 -39.793 -13.725 -15.897 1.00 0.00 ATOM 876 N VAL 105 -40.787 -13.244 -16.634 1.00 0.00 ATOM 877 CA VAL 105 -41.618 -12.149 -16.150 1.00 0.00 ATOM 878 CB VAL 105 -41.705 -11.015 -17.189 1.00 0.00 ATOM 879 CG1 VAL 105 -42.599 -9.893 -16.681 1.00 0.00 ATOM 880 CG2 VAL 105 -40.325 -10.440 -17.466 1.00 0.00 ATOM 881 O VAL 105 -43.612 -13.367 -16.695 1.00 0.00 ATOM 882 C VAL 105 -43.013 -12.692 -15.861 1.00 0.00 ATOM 883 N ASP 106 -43.495 -12.422 -14.652 1.00 0.00 ATOM 884 CA ASP 106 -44.818 -12.878 -14.236 1.00 0.00 ATOM 885 CB ASP 106 -44.764 -13.610 -12.893 1.00 0.00 ATOM 886 CG ASP 106 -46.124 -14.110 -12.448 1.00 0.00 ATOM 887 OD1 ASP 106 -47.119 -13.836 -13.151 1.00 0.00 ATOM 888 OD2 ASP 106 -46.196 -14.777 -11.393 1.00 0.00 ATOM 889 O ASP 106 -45.541 -10.799 -13.269 1.00 0.00 ATOM 890 C ASP 106 -45.730 -11.675 -14.103 1.00 0.00 ATOM 891 N GLU 107 -46.703 -11.603 -14.914 1.00 0.00 ATOM 892 CA GLU 107 -47.565 -10.432 -15.088 1.00 0.00 ATOM 893 CB GLU 107 -47.022 -9.559 -16.217 1.00 0.00 ATOM 894 CG GLU 107 -47.815 -8.281 -16.433 1.00 0.00 ATOM 895 CD GLU 107 -47.284 -7.447 -17.583 1.00 0.00 ATOM 896 OE1 GLU 107 -47.609 -6.244 -17.636 1.00 0.00 ATOM 897 OE2 GLU 107 -46.557 -7.995 -18.437 1.00 0.00 ATOM 898 O GLU 107 -49.200 -11.826 -16.146 1.00 0.00 ATOM 899 C GLU 107 -48.981 -10.947 -15.313 1.00 0.00 ATOM 900 N LYS 108 -49.938 -10.352 -14.610 1.00 0.00 ATOM 901 CA LYS 108 -51.336 -10.749 -14.717 1.00 0.00 ATOM 902 CB LYS 108 -51.876 -10.460 -16.120 1.00 0.00 ATOM 903 CG LYS 108 -51.798 -8.998 -16.524 1.00 0.00 ATOM 904 CD LYS 108 -52.441 -8.766 -17.882 1.00 0.00 ATOM 905 CE LYS 108 -52.270 -7.325 -18.336 1.00 0.00 ATOM 906 NZ LYS 108 -52.849 -7.096 -19.688 1.00 0.00 ATOM 907 O LYS 108 -51.601 -12.933 -15.675 1.00 0.00 ATOM 908 C LYS 108 -51.311 -12.279 -14.672 1.00 0.00 ATOM 909 N LYS 109 -50.792 -12.769 -13.477 1.00 0.00 ATOM 910 CA LYS 109 -50.752 -14.216 -13.304 1.00 0.00 ATOM 911 CB LYS 109 -52.067 -14.329 -12.367 1.00 0.00 ATOM 912 CG LYS 109 -51.920 -13.745 -10.998 1.00 0.00 ATOM 913 CD LYS 109 -53.234 -13.764 -10.301 1.00 0.00 ATOM 914 CE LYS 109 -53.096 -13.340 -8.862 1.00 0.00 ATOM 915 NZ LYS 109 -54.410 -13.464 -8.162 1.00 0.00 ATOM 916 O LYS 109 -50.302 -16.413 -14.123 1.00 0.00 ATOM 917 C LYS 109 -50.166 -15.203 -14.296 1.00 0.00 ATOM 918 N LEU 110 -49.511 -14.703 -15.340 1.00 0.00 ATOM 919 CA LEU 110 -48.919 -15.577 -16.344 1.00 0.00 ATOM 920 CB LEU 110 -49.652 -15.430 -17.679 1.00 0.00 ATOM 921 CG LEU 110 -51.133 -15.811 -17.684 1.00 0.00 ATOM 922 CD1 LEU 110 -51.777 -15.452 -19.015 1.00 0.00 ATOM 923 CD2 LEU 110 -51.305 -17.306 -17.459 1.00 0.00 ATOM 924 O LEU 110 -47.059 -14.071 -16.365 1.00 0.00 ATOM 925 C LEU 110 -47.455 -15.219 -16.551 1.00 0.00 ATOM 926 N GLU 111 -46.671 -16.276 -17.053 1.00 0.00 ATOM 927 CA GLU 111 -45.244 -16.061 -17.253 1.00 0.00 ATOM 928 CB GLU 111 -44.411 -17.123 -16.533 1.00 0.00 ATOM 929 CG GLU 111 -44.542 -17.093 -15.018 1.00 0.00 ATOM 930 CD GLU 111 -43.640 -18.103 -14.335 1.00 0.00 ATOM 931 OE1 GLU 111 -42.950 -18.862 -15.048 1.00 0.00 ATOM 932 OE2 GLU 111 -43.624 -18.134 -13.086 1.00 0.00 ATOM 933 O GLU 111 -45.192 -16.921 -19.504 1.00 0.00 ATOM 934 C GLU 111 -44.723 -16.129 -18.677 1.00 0.00 ATOM 935 N HIS 112 -43.746 -15.271 -18.946 1.00 0.00 ATOM 936 CA HIS 112 -43.093 -15.186 -20.242 1.00 0.00 ATOM 937 CB HIS 112 -43.523 -13.886 -20.925 1.00 0.00 ATOM 938 CG HIS 112 -45.002 -13.773 -21.132 1.00 0.00 ATOM 939 CD2 HIS 112 -46.107 -13.155 -20.414 1.00 0.00 ATOM 940 ND1 HIS 112 -45.647 -14.331 -22.215 1.00 0.00 ATOM 941 CE1 HIS 112 -46.961 -14.062 -22.127 1.00 0.00 ATOM 942 NE2 HIS 112 -47.245 -13.358 -21.049 1.00 0.00 ATOM 943 O HIS 112 -41.100 -14.458 -19.143 1.00 0.00 ATOM 944 C HIS 112 -41.590 -15.181 -20.008 1.00 0.00 ATOM 945 N HIS 113 -40.858 -15.986 -20.766 1.00 0.00 ATOM 946 CA HIS 113 -39.413 -16.032 -20.595 1.00 0.00 ATOM 947 CB HIS 113 -38.954 -17.481 -20.617 1.00 0.00 ATOM 948 CG HIS 113 -39.443 -18.252 -21.807 1.00 0.00 ATOM 949 CD2 HIS 113 -39.019 -18.266 -23.093 1.00 0.00 ATOM 950 ND1 HIS 113 -40.534 -19.092 -21.754 1.00 0.00 ATOM 951 CE1 HIS 113 -40.765 -19.588 -22.957 1.00 0.00 ATOM 952 NE2 HIS 113 -39.859 -19.104 -23.788 1.00 0.00 ATOM 953 O HIS 113 -39.296 -15.116 -22.812 1.00 0.00 ATOM 954 C HIS 113 -38.687 -15.610 -21.863 1.00 0.00 ATOM 955 N HIS 114 -37.178 -15.534 -21.822 1.00 0.00 ATOM 956 CA HIS 114 -36.394 -15.116 -22.969 1.00 0.00 ATOM 957 CB HIS 114 -37.218 -14.904 -24.196 1.00 0.00 ATOM 958 CG HIS 114 -37.980 -13.631 -24.300 1.00 0.00 ATOM 959 CD2 HIS 114 -37.781 -12.540 -25.098 1.00 0.00 ATOM 960 ND1 HIS 114 -39.092 -13.334 -23.559 1.00 0.00 ATOM 961 CE1 HIS 114 -39.529 -12.138 -23.875 1.00 0.00 ATOM 962 NE2 HIS 114 -38.762 -11.613 -24.824 1.00 0.00 ATOM 963 O HIS 114 -34.696 -13.510 -23.478 1.00 0.00 ATOM 964 C HIS 114 -35.555 -13.885 -22.680 1.00 0.00 ATOM 965 N HIS 115 -35.792 -13.281 -21.527 1.00 0.00 ATOM 966 CA HIS 115 -35.042 -12.089 -21.141 1.00 0.00 ATOM 967 CB HIS 115 -35.698 -11.415 -19.934 1.00 0.00 ATOM 968 CG HIS 115 -35.150 -10.055 -19.631 1.00 0.00 ATOM 969 CD2 HIS 115 -35.601 -8.685 -19.830 1.00 0.00 ATOM 970 ND1 HIS 115 -33.933 -9.863 -19.014 1.00 0.00 ATOM 971 CE1 HIS 115 -33.714 -8.543 -18.877 1.00 0.00 ATOM 972 NE2 HIS 115 -34.711 -7.831 -19.365 1.00 0.00 ATOM 973 O HIS 115 -33.438 -13.449 -19.997 1.00 0.00 ATOM 974 C HIS 115 -33.628 -12.527 -20.790 1.00 0.00 ATOM 975 N HIS 116 -32.631 -11.875 -21.362 1.00 0.00 ATOM 976 CA HIS 116 -31.229 -12.259 -21.136 1.00 0.00 ATOM 977 CB HIS 116 -30.286 -11.290 -21.852 1.00 0.00 ATOM 978 CG HIS 116 -28.834 -11.581 -21.623 1.00 0.00 ATOM 979 CD2 HIS 116 -27.767 -10.978 -20.839 1.00 0.00 ATOM 980 ND1 HIS 116 -28.184 -12.639 -22.220 1.00 0.00 ATOM 981 CE1 HIS 116 -26.899 -12.640 -21.824 1.00 0.00 ATOM 982 NE2 HIS 116 -26.642 -11.647 -20.995 1.00 0.00 ATOM 983 O HIS 116 -30.454 -13.282 -19.189 1.00 0.00 ATOM 984 C HIS 116 -30.904 -12.246 -19.642 1.00 0.00 ATOM 985 N HIS 117 -31.235 -11.151 -18.956 1.00 0.00 ATOM 986 CA HIS 117 -31.029 -11.073 -17.522 1.00 0.00 ATOM 987 CB HIS 117 -31.146 -9.626 -17.043 1.00 0.00 ATOM 988 CG HIS 117 -30.131 -8.705 -17.645 1.00 0.00 ATOM 989 CD2 HIS 117 -30.170 -7.575 -18.562 1.00 0.00 ATOM 990 ND1 HIS 117 -28.783 -8.807 -17.380 1.00 0.00 ATOM 991 CE1 HIS 117 -28.127 -7.850 -18.061 1.00 0.00 ATOM 992 NE2 HIS 117 -28.954 -7.107 -18.773 1.00 0.00 ATOM 993 O HIS 117 -32.306 -12.106 -15.779 1.00 0.00 ATOM 994 C HIS 117 -32.166 -11.979 -17.006 1.00 0.00 TER END