PFRMAT TS TARGET T0300 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 8 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 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 We used ProteinShop rather extensively in trying to prepare a T0300. METHOD We got a decent pair of helices bundled without using Proteinshop, but METHOD tried rotating them to make a better monomer and a better dimer. METHOD METHOD Several of the monomer models were obtained from dimer models, built METHOD using 1jm0A and 1jm0B as an initial 4-helix bundle, but then heavily METHOD modified using ProteinShop. One problem we ran into with ProteinShop METHOD is that it was incapable of packing things tightly, and would move METHOD apart things the we has already tightly packed. Undertaker was often METHOD not able to recover from this unpacking. METHOD METHOD Model 1 is try3-opt2. It is a reoptimization using undertaker of a METHOD slightly hand-tweaked pair of helices. METHOD METHOD Model 2 is try2-opt2. It is the pair of helices before any hand tweaking. METHOD METHOD Model 3 is a monomer from dimer/try4-opt2, which has an parallel METHOD structure for the dimer. METHOD METHOD Model 4 is a monomer from dimer/try8-opt2, which puts the bundle METHOD together opposit to most ways we tried. METHOD METHOD Model 5 is try15-opt2, a monomer that has been optimized for burial as METHOD a monomer, not a dimer. METHOD REMARK 6 REMARK 6 T0300 model 4 Wed Jun 14 22:48:17 2006 MODEL 4 PARENT 1deb_A 1pb6_A 1kxu 1fmh_A 1l8d_A REMARK 7 REMARK 7 ALLPARENTS 1deb_A 1pb6_A 1kxu 1fmh_A 1l8d_A 1p9i_A 1nh1_A REMARK 7 ALLPARENTS 1j8b_A 1ad1_A 2auc_A 1y8a_A 1oqc_A 1fmh_B 2a6c_A REMARK 7 ALLPARENTS 1ses_A 1f45_B 1sau_A 2ado_A 1w4x_A 1cq3_A 1jm0_A ATOM 1 N MET 1 -12.104 -21.510 -6.286 1.00 0.00 ATOM 2 CA MET 1 -12.024 -20.432 -5.309 1.00 0.00 ATOM 3 CB MET 1 -11.458 -20.937 -3.978 1.00 0.00 ATOM 4 CG MET 1 -12.291 -22.050 -3.344 1.00 0.00 ATOM 5 SD MET 1 -11.699 -22.515 -1.698 1.00 0.00 ATOM 6 CE MET 1 -10.341 -23.583 -2.107 1.00 0.00 ATOM 7 O MET 1 -10.293 -19.584 -6.743 1.00 0.00 ATOM 8 C MET 1 -11.023 -19.374 -5.768 1.00 0.00 ATOM 9 N ALA 2 -10.995 -18.242 -5.067 1.00 0.00 ATOM 10 CA ALA 2 -10.086 -17.150 -5.410 1.00 0.00 ATOM 11 CB ALA 2 -10.225 -16.025 -4.383 1.00 0.00 ATOM 12 O ALA 2 -7.873 -17.081 -6.328 1.00 0.00 ATOM 13 C ALA 2 -8.612 -17.540 -5.457 1.00 0.00 ATOM 14 N SER 3 -8.188 -18.383 -4.522 1.00 0.00 ATOM 15 CA SER 3 -6.796 -18.817 -4.454 1.00 0.00 ATOM 16 CB SER 3 -6.556 -19.585 -3.142 1.00 0.00 ATOM 17 OG SER 3 -7.307 -20.786 -3.097 1.00 0.00 ATOM 18 O SER 3 -5.208 -19.746 -5.988 1.00 0.00 ATOM 19 C SER 3 -6.387 -19.685 -5.639 1.00 0.00 ATOM 20 N LYS 4 -7.341 -20.355 -6.257 1.00 0.00 ATOM 21 CA LYS 4 -7.064 -21.210 -7.402 1.00 0.00 ATOM 22 CB LYS 4 -7.832 -22.499 -7.352 1.00 0.00 ATOM 23 CG LYS 4 -7.619 -23.311 -6.088 1.00 0.00 ATOM 24 CD LYS 4 -8.403 -24.614 -6.125 1.00 0.00 ATOM 25 CE LYS 4 -9.902 -24.364 -6.209 1.00 0.00 ATOM 26 NZ LYS 4 -10.682 -25.629 -6.268 1.00 0.00 ATOM 27 O LYS 4 -6.787 -20.911 -9.761 1.00 0.00 ATOM 28 C LYS 4 -7.271 -20.472 -8.722 1.00 0.00 ATOM 29 N LYS 5 -8.067 -19.398 -8.697 1.00 0.00 ATOM 30 CA LYS 5 -8.331 -18.624 -9.907 1.00 0.00 ATOM 31 CB LYS 5 -9.858 -18.352 -9.913 1.00 0.00 ATOM 32 CG LYS 5 -10.723 -19.603 -9.881 1.00 0.00 ATOM 33 CD LYS 5 -12.202 -19.249 -9.881 1.00 0.00 ATOM 34 CE LYS 5 -13.066 -20.500 -9.930 1.00 0.00 ATOM 35 NZ LYS 5 -14.513 -20.168 -10.027 1.00 0.00 ATOM 36 O LYS 5 -6.948 -16.852 -9.045 1.00 0.00 ATOM 37 C LYS 5 -7.284 -17.556 -10.037 1.00 0.00 ATOM 38 N PRO 6 -6.589 -17.543 -11.183 1.00 0.00 ATOM 39 CA PRO 6 -5.379 -16.738 -11.287 1.00 0.00 ATOM 40 CB PRO 6 -4.825 -17.073 -12.673 1.00 0.00 ATOM 41 CG PRO 6 -5.298 -18.463 -12.940 1.00 0.00 ATOM 42 CD PRO 6 -6.687 -18.545 -12.371 1.00 0.00 ATOM 43 O PRO 6 -4.936 -14.494 -10.620 1.00 0.00 ATOM 44 C PRO 6 -5.722 -15.246 -11.206 1.00 0.00 ATOM 45 N ASP 7 -6.849 -14.814 -11.771 1.00 0.00 ATOM 46 CA ASP 7 -7.213 -13.405 -11.697 1.00 0.00 ATOM 47 CB ASP 7 -8.490 -13.176 -12.509 1.00 0.00 ATOM 48 CG ASP 7 -8.247 -13.231 -14.004 1.00 0.00 ATOM 49 OD1 ASP 7 -7.069 -13.207 -14.416 1.00 0.00 ATOM 50 OD2 ASP 7 -9.236 -13.295 -14.764 1.00 0.00 ATOM 51 O ASP 7 -7.151 -11.945 -9.801 1.00 0.00 ATOM 52 C ASP 7 -7.495 -13.037 -10.262 1.00 0.00 ATOM 53 N LYS 8 -8.108 -13.946 -9.549 1.00 0.00 ATOM 54 CA LYS 8 -8.438 -13.692 -8.154 1.00 0.00 ATOM 55 CB LYS 8 -9.469 -14.674 -7.608 1.00 0.00 ATOM 56 CG LYS 8 -10.816 -14.619 -8.321 1.00 0.00 ATOM 57 CD LYS 8 -11.745 -15.738 -7.855 1.00 0.00 ATOM 58 CE LYS 8 -13.181 -15.467 -8.285 1.00 0.00 ATOM 59 NZ LYS 8 -14.062 -16.655 -8.107 1.00 0.00 ATOM 60 O LYS 8 -7.028 -12.824 -6.411 1.00 0.00 ATOM 61 C LYS 8 -7.140 -13.616 -7.348 1.00 0.00 ATOM 62 N THR 9 -6.162 -14.418 -7.722 1.00 0.00 ATOM 63 CA THR 9 -4.869 -14.395 -7.048 1.00 0.00 ATOM 64 CB THR 9 -3.964 -15.548 -7.523 1.00 0.00 ATOM 65 CG2 THR 9 -2.610 -15.480 -6.835 1.00 0.00 ATOM 66 OG1 THR 9 -4.581 -16.803 -7.210 1.00 0.00 ATOM 67 O THR 9 -3.536 -12.507 -6.377 1.00 0.00 ATOM 68 C THR 9 -4.105 -13.099 -7.299 1.00 0.00 ATOM 69 N TYR 10 -4.129 -12.638 -8.549 1.00 0.00 ATOM 70 CA TYR 10 -3.480 -11.390 -8.912 1.00 0.00 ATOM 71 CB TYR 10 -3.596 -11.144 -10.418 1.00 0.00 ATOM 72 CG TYR 10 -2.969 -9.847 -10.877 1.00 0.00 ATOM 73 CD1 TYR 10 -1.592 -9.738 -11.031 1.00 0.00 ATOM 74 CD2 TYR 10 -3.754 -8.736 -11.155 1.00 0.00 ATOM 75 CE1 TYR 10 -1.010 -8.557 -11.450 1.00 0.00 ATOM 76 CE2 TYR 10 -3.189 -7.547 -11.575 1.00 0.00 ATOM 77 CZ TYR 10 -1.805 -7.465 -11.721 1.00 0.00 ATOM 78 OH TYR 10 -1.229 -6.288 -12.139 1.00 0.00 ATOM 79 O TYR 10 -3.515 -9.379 -7.596 1.00 0.00 ATOM 80 C TYR 10 -4.171 -10.269 -8.140 1.00 0.00 ATOM 81 N GLU 11 -5.493 -10.339 -8.052 1.00 0.00 ATOM 82 CA GLU 11 -6.245 -9.324 -7.330 1.00 0.00 ATOM 83 CB GLU 11 -7.748 -9.563 -7.482 1.00 0.00 ATOM 84 CG GLU 11 -8.281 -9.286 -8.879 1.00 0.00 ATOM 85 CD GLU 11 -9.745 -9.649 -9.028 1.00 0.00 ATOM 86 OE1 GLU 11 -10.324 -10.186 -8.060 1.00 0.00 ATOM 87 OE2 GLU 11 -10.315 -9.398 -10.110 1.00 0.00 ATOM 88 O GLU 11 -5.780 -8.344 -5.183 1.00 0.00 ATOM 89 C GLU 11 -5.874 -9.378 -5.850 1.00 0.00 ATOM 90 N GLU 12 -5.627 -10.595 -5.354 1.00 0.00 ATOM 91 CA GLU 12 -5.243 -10.760 -3.958 1.00 0.00 ATOM 92 CB GLU 12 -5.141 -12.243 -3.602 1.00 0.00 ATOM 93 CG GLU 12 -6.478 -12.966 -3.562 1.00 0.00 ATOM 94 CD GLU 12 -6.327 -14.459 -3.346 1.00 0.00 ATOM 95 OE1 GLU 12 -5.175 -14.939 -3.300 1.00 0.00 ATOM 96 OE2 GLU 12 -7.361 -15.149 -3.225 1.00 0.00 ATOM 97 O GLU 12 -3.751 -9.304 -2.756 1.00 0.00 ATOM 98 C GLU 12 -3.890 -10.100 -3.689 1.00 0.00 ATOM 99 N MET 13 -2.882 -10.400 -4.506 1.00 0.00 ATOM 100 CA MET 13 -1.558 -9.820 -4.311 1.00 0.00 ATOM 101 CB MET 13 -0.557 -10.428 -5.295 1.00 0.00 ATOM 102 CG MET 13 -0.229 -11.888 -5.025 1.00 0.00 ATOM 103 SD MET 13 0.901 -12.585 -6.244 1.00 0.00 ATOM 104 CE MET 13 2.419 -11.734 -5.825 1.00 0.00 ATOM 105 O MET 13 -0.981 -7.566 -3.744 1.00 0.00 ATOM 106 C MET 13 -1.562 -8.306 -4.529 1.00 0.00 ATOM 107 N VAL 14 -2.289 -7.840 -5.533 1.00 0.00 ATOM 108 CA VAL 14 -2.387 -6.405 -5.809 1.00 0.00 ATOM 109 CB VAL 14 -3.219 -6.129 -7.074 1.00 0.00 ATOM 110 CG1 VAL 14 -3.478 -4.639 -7.227 1.00 0.00 ATOM 111 CG2 VAL 14 -2.482 -6.618 -8.313 1.00 0.00 ATOM 112 O VAL 14 -2.601 -4.580 -4.264 1.00 0.00 ATOM 113 C VAL 14 -3.066 -5.637 -4.666 1.00 0.00 ATOM 114 N LYS 15 -4.161 -6.184 -4.108 1.00 0.00 ATOM 115 CA LYS 15 -4.867 -5.556 -2.989 1.00 0.00 ATOM 116 CB LYS 15 -6.090 -6.387 -2.594 1.00 0.00 ATOM 117 CG LYS 15 -6.901 -5.792 -1.455 1.00 0.00 ATOM 118 CD LYS 15 -8.136 -6.630 -1.161 1.00 0.00 ATOM 119 CE LYS 15 -8.922 -6.063 0.010 1.00 0.00 ATOM 120 NZ LYS 15 -10.123 -6.886 0.324 1.00 0.00 ATOM 121 O LYS 15 -3.799 -4.368 -1.183 1.00 0.00 ATOM 122 C LYS 15 -3.943 -5.442 -1.781 1.00 0.00 ATOM 123 N GLU 16 -3.339 -6.549 -1.414 1.00 0.00 ATOM 124 CA GLU 16 -2.437 -6.544 -0.269 1.00 0.00 ATOM 125 CB GLU 16 -1.933 -7.959 0.022 1.00 0.00 ATOM 126 CG GLU 16 -2.999 -8.899 0.562 1.00 0.00 ATOM 127 CD GLU 16 -2.496 -10.320 0.721 1.00 0.00 ATOM 128 OE1 GLU 16 -1.336 -10.585 0.343 1.00 0.00 ATOM 129 OE2 GLU 16 -3.263 -11.168 1.226 1.00 0.00 ATOM 130 O GLU 16 -0.737 -4.989 0.401 1.00 0.00 ATOM 131 C GLU 16 -1.214 -5.660 -0.515 1.00 0.00 ATOM 132 N VAL 17 -0.719 -5.643 -1.749 1.00 0.00 ATOM 133 CA VAL 17 0.414 -4.793 -2.085 1.00 0.00 ATOM 134 CB VAL 17 0.862 -5.000 -3.543 1.00 0.00 ATOM 135 CG1 VAL 17 1.901 -3.960 -3.934 1.00 0.00 ATOM 136 CG2 VAL 17 1.475 -6.380 -3.722 1.00 0.00 ATOM 137 O VAL 17 0.801 -2.529 -1.398 1.00 0.00 ATOM 138 C VAL 17 0.022 -3.314 -1.909 1.00 0.00 ATOM 139 N GLU 18 -1.174 -2.954 -2.366 1.00 0.00 ATOM 140 CA GLU 18 -1.652 -1.580 -2.249 1.00 0.00 ATOM 141 CB GLU 18 -3.073 -1.459 -2.802 1.00 0.00 ATOM 142 CG GLU 18 -3.636 -0.048 -2.763 1.00 0.00 ATOM 143 CD GLU 18 -5.032 0.039 -3.349 1.00 0.00 ATOM 144 OE1 GLU 18 -5.552 -1.003 -3.799 1.00 0.00 ATOM 145 OE2 GLU 18 -5.602 1.150 -3.358 1.00 0.00 ATOM 146 O GLU 18 -1.141 -0.127 -0.385 1.00 0.00 ATOM 147 C GLU 18 -1.648 -1.177 -0.761 1.00 0.00 ATOM 148 N ARG 19 -2.251 -2.021 0.076 1.00 0.00 ATOM 149 CA ARG 19 -2.296 -1.742 1.522 1.00 0.00 ATOM 150 CB ARG 19 -3.173 -2.813 2.188 1.00 0.00 ATOM 151 CG ARG 19 -4.657 -2.786 1.987 1.00 0.00 ATOM 152 CD ARG 19 -5.327 -1.892 3.029 1.00 0.00 ATOM 153 NE ARG 19 -6.741 -1.966 2.852 1.00 0.00 ATOM 154 CZ ARG 19 -7.586 -1.187 2.152 1.00 0.00 ATOM 155 NH1 ARG 19 -7.151 -0.044 1.659 1.00 0.00 ATOM 156 NH2 ARG 19 -8.841 -1.635 2.043 1.00 0.00 ATOM 157 O ARG 19 -0.704 -0.961 3.131 1.00 0.00 ATOM 158 C ARG 19 -0.930 -1.733 2.200 1.00 0.00 ATOM 159 N LEU 20 -0.020 -2.579 1.736 1.00 0.00 ATOM 160 CA LEU 20 1.320 -2.622 2.313 1.00 0.00 ATOM 161 CB LEU 20 2.115 -3.784 1.707 1.00 0.00 ATOM 162 CG LEU 20 3.603 -3.830 2.086 1.00 0.00 ATOM 163 CD1 LEU 20 3.767 -3.940 3.595 1.00 0.00 ATOM 164 CD2 LEU 20 4.263 -5.012 1.396 1.00 0.00 ATOM 165 O LEU 20 2.705 -0.766 2.924 1.00 0.00 ATOM 166 C LEU 20 2.074 -1.332 2.031 1.00 0.00 ATOM 167 N LYS 21 2.007 -0.872 0.801 1.00 0.00 ATOM 168 CA LYS 21 2.707 0.348 0.444 1.00 0.00 ATOM 169 CB LYS 21 2.581 0.619 -1.057 1.00 0.00 ATOM 170 CG LYS 21 3.326 1.857 -1.529 1.00 0.00 ATOM 171 CD LYS 21 3.223 2.021 -3.036 1.00 0.00 ATOM 172 CE LYS 21 3.943 3.274 -3.505 1.00 0.00 ATOM 173 NZ LYS 21 3.837 3.456 -4.979 1.00 0.00 ATOM 174 O LYS 21 2.936 2.416 1.635 1.00 0.00 ATOM 175 C LYS 21 2.165 1.560 1.194 1.00 0.00 ATOM 176 N LEU 22 0.843 1.624 1.361 1.00 0.00 ATOM 177 CA LEU 22 0.223 2.734 2.089 1.00 0.00 ATOM 178 CB LEU 22 -1.300 2.589 2.089 1.00 0.00 ATOM 179 CG LEU 22 -2.085 3.685 2.814 1.00 0.00 ATOM 180 CD1 LEU 22 -1.845 5.037 2.164 1.00 0.00 ATOM 181 CD2 LEU 22 -3.577 3.394 2.772 1.00 0.00 ATOM 182 O LEU 22 1.104 3.794 4.050 1.00 0.00 ATOM 183 C LEU 22 0.727 2.746 3.526 1.00 0.00 ATOM 184 N GLU 23 0.710 1.588 4.157 1.00 0.00 ATOM 185 CA GLU 23 1.135 1.492 5.544 1.00 0.00 ATOM 186 CB GLU 23 0.479 0.159 6.110 1.00 0.00 ATOM 187 CG GLU 23 0.477 0.063 7.630 1.00 0.00 ATOM 188 CD GLU 23 -0.354 -1.098 8.156 1.00 0.00 ATOM 189 OE1 GLU 23 -1.403 -1.401 7.544 1.00 0.00 ATOM 190 OE2 GLU 23 0.037 -1.701 9.184 1.00 0.00 ATOM 191 O GLU 23 3.038 2.443 6.618 1.00 0.00 ATOM 192 C GLU 23 2.627 1.746 5.699 1.00 0.00 ATOM 193 N ASN 24 3.435 1.204 4.792 1.00 0.00 ATOM 194 CA ASN 24 4.877 1.415 4.854 1.00 0.00 ATOM 195 CB ASN 24 5.619 0.769 3.711 1.00 0.00 ATOM 196 CG ASN 24 5.713 -0.735 3.869 1.00 0.00 ATOM 197 ND2 ASN 24 5.533 -1.462 2.771 1.00 0.00 ATOM 198 OD1 ASN 24 5.963 -1.238 4.962 1.00 0.00 ATOM 199 O ASN 24 5.957 3.485 5.454 1.00 0.00 ATOM 200 C ASN 24 5.176 2.908 4.693 1.00 0.00 ATOM 201 N LYS 25 4.562 3.544 3.706 1.00 0.00 ATOM 202 CA LYS 25 4.764 4.974 3.488 1.00 0.00 ATOM 203 CB LYS 25 3.911 5.462 2.315 1.00 0.00 ATOM 204 CG LYS 25 4.093 6.936 1.987 1.00 0.00 ATOM 205 CD LYS 25 3.280 7.334 0.766 1.00 0.00 ATOM 206 CE LYS 25 3.437 8.814 0.456 1.00 0.00 ATOM 207 NZ LYS 25 2.634 9.221 -0.730 1.00 0.00 ATOM 208 O LYS 25 5.117 6.689 5.113 1.00 0.00 ATOM 209 C LYS 25 4.385 5.792 4.712 1.00 0.00 ATOM 210 N THR 26 3.235 5.474 5.292 1.00 0.00 ATOM 211 CA THR 26 2.740 6.181 6.469 1.00 0.00 ATOM 212 CB THR 26 1.305 5.749 6.822 1.00 0.00 ATOM 213 CG2 THR 26 0.826 6.470 8.072 1.00 0.00 ATOM 214 OG1 THR 26 0.424 6.071 5.737 1.00 0.00 ATOM 215 O THR 26 4.002 6.868 8.389 1.00 0.00 ATOM 216 C THR 26 3.612 5.927 7.695 1.00 0.00 ATOM 217 N LEU 27 3.952 4.680 7.952 1.00 0.00 ATOM 218 CA LEU 27 4.785 4.335 9.101 1.00 0.00 ATOM 219 CB LEU 27 5.443 2.847 8.714 1.00 0.00 ATOM 220 CG LEU 27 6.094 2.006 9.825 1.00 0.00 ATOM 221 CD1 LEU 27 4.985 1.188 10.477 1.00 0.00 ATOM 222 CD2 LEU 27 7.220 1.153 9.285 1.00 0.00 ATOM 223 O LEU 27 6.649 5.604 9.912 1.00 0.00 ATOM 224 C LEU 27 6.146 5.015 8.959 1.00 0.00 ATOM 225 N LYS 28 6.715 4.968 7.761 1.00 0.00 ATOM 226 CA LYS 28 8.010 5.593 7.500 1.00 0.00 ATOM 227 CB LYS 28 8.512 5.221 6.103 1.00 0.00 ATOM 228 CG LYS 28 9.889 5.773 5.770 1.00 0.00 ATOM 229 CD LYS 28 10.362 5.289 4.409 1.00 0.00 ATOM 230 CE LYS 28 11.729 5.860 4.066 1.00 0.00 ATOM 231 NZ LYS 28 12.197 5.412 2.726 1.00 0.00 ATOM 232 O LYS 28 8.776 7.779 8.122 1.00 0.00 ATOM 233 C LYS 28 7.905 7.114 7.583 1.00 0.00 ATOM 234 N GLN 29 6.826 7.656 7.048 1.00 0.00 ATOM 235 CA GLN 29 6.599 9.096 7.058 1.00 0.00 ATOM 236 CB GLN 29 5.294 9.436 6.335 1.00 0.00 ATOM 237 CG GLN 29 5.033 10.928 6.197 1.00 0.00 ATOM 238 CD GLN 29 6.073 11.624 5.342 1.00 0.00 ATOM 239 OE1 GLN 29 6.431 11.143 4.267 1.00 0.00 ATOM 240 NE2 GLN 29 6.564 12.763 5.818 1.00 0.00 ATOM 241 O GLN 29 7.051 10.627 8.848 1.00 0.00 ATOM 242 C GLN 29 6.506 9.572 8.499 1.00 0.00 ATOM 243 N LYS 30 5.885 8.781 9.283 1.00 0.00 ATOM 244 CA LYS 30 5.775 9.149 10.696 1.00 0.00 ATOM 245 CB LYS 30 4.848 8.181 11.432 1.00 0.00 ATOM 246 CG LYS 30 3.382 8.320 11.057 1.00 0.00 ATOM 247 CD LYS 30 2.519 7.334 11.829 1.00 0.00 ATOM 248 CE LYS 30 1.058 7.449 11.430 1.00 0.00 ATOM 249 NZ LYS 30 0.203 6.473 12.160 1.00 0.00 ATOM 250 O LYS 30 7.300 10.008 12.347 1.00 0.00 ATOM 251 C LYS 30 7.082 9.144 11.485 1.00 0.00 ATOM 252 N VAL 31 7.947 8.159 11.232 1.00 0.00 ATOM 253 CA VAL 31 9.223 8.099 11.938 1.00 0.00 ATOM 254 CB VAL 31 10.050 6.859 11.463 1.00 0.00 ATOM 255 CG1 VAL 31 11.518 6.991 11.824 1.00 0.00 ATOM 256 CG2 VAL 31 9.478 5.615 12.053 1.00 0.00 ATOM 257 O VAL 31 10.608 9.969 12.607 1.00 0.00 ATOM 258 C VAL 31 10.050 9.360 11.712 1.00 0.00 ATOM 259 N LYS 32 10.115 9.759 10.413 1.00 0.00 ATOM 260 CA LYS 32 10.900 10.943 10.076 1.00 0.00 ATOM 261 CB LYS 32 10.983 11.116 8.558 1.00 0.00 ATOM 262 CG LYS 32 11.835 10.069 7.861 1.00 0.00 ATOM 263 CD LYS 32 11.877 10.303 6.359 1.00 0.00 ATOM 264 CE LYS 32 12.701 9.237 5.657 1.00 0.00 ATOM 265 NZ LYS 32 12.732 9.440 4.182 1.00 0.00 ATOM 266 O LYS 32 10.901 13.035 11.244 1.00 0.00 ATOM 267 C LYS 32 10.229 12.166 10.692 1.00 0.00 ATOM 268 N SER 33 8.913 12.225 10.588 1.00 0.00 ATOM 269 CA SER 33 8.165 13.337 11.191 1.00 0.00 ATOM 270 CB SER 33 6.664 13.166 10.948 1.00 0.00 ATOM 271 OG SER 33 6.354 13.273 9.571 1.00 0.00 ATOM 272 O SER 33 8.647 14.494 13.249 1.00 0.00 ATOM 273 C SER 33 8.402 13.425 12.699 1.00 0.00 ATOM 274 N SER 34 8.320 12.286 13.374 1.00 0.00 ATOM 275 CA SER 34 8.567 12.251 14.804 1.00 0.00 ATOM 276 CB SER 34 8.297 10.935 15.449 1.00 0.00 ATOM 277 OG SER 34 9.148 9.898 14.995 1.00 0.00 ATOM 278 O SER 34 10.294 13.318 16.106 1.00 0.00 ATOM 279 C SER 34 10.027 12.617 15.124 1.00 0.00 ATOM 280 N GLY 35 11.042 12.145 14.297 1.00 0.00 ATOM 281 CA GLY 35 12.446 12.491 14.493 1.00 0.00 ATOM 282 O GLY 35 13.389 14.646 15.007 1.00 0.00 ATOM 283 C GLY 35 12.621 13.995 14.296 1.00 0.00 ATOM 284 N ALA 36 11.880 14.547 13.344 1.00 0.00 ATOM 285 CA ALA 36 11.964 15.962 13.016 1.00 0.00 ATOM 286 CB ALA 36 11.294 16.237 11.678 1.00 0.00 ATOM 287 O ALA 36 11.839 18.041 14.187 1.00 0.00 ATOM 288 C ALA 36 11.317 16.944 13.989 1.00 0.00 ATOM 289 N VAL 37 10.140 16.555 14.628 1.00 0.00 ATOM 290 CA VAL 37 9.460 17.465 15.543 1.00 0.00 ATOM 291 CB VAL 37 8.104 17.926 14.976 1.00 0.00 ATOM 292 CG1 VAL 37 8.303 18.711 13.689 1.00 0.00 ATOM 293 CG2 VAL 37 7.217 16.728 14.676 1.00 0.00 ATOM 294 O VAL 37 8.931 17.608 17.856 1.00 0.00 ATOM 295 C VAL 37 9.172 16.867 16.909 1.00 0.00 ATOM 296 N SER 38 9.242 15.625 17.109 1.00 0.00 ATOM 297 CA SER 38 8.950 15.002 18.398 1.00 0.00 ATOM 298 CB SER 38 7.632 14.229 18.323 1.00 0.00 ATOM 299 OG SER 38 7.681 13.236 17.312 1.00 0.00 ATOM 300 O SER 38 9.636 13.014 19.530 1.00 0.00 ATOM 301 C SER 38 9.986 14.003 18.883 1.00 0.00 ATOM 302 N SER 39 11.253 14.265 18.589 1.00 0.00 ATOM 303 CA SER 39 12.326 13.371 18.992 1.00 0.00 ATOM 304 CB SER 39 13.569 13.597 18.129 1.00 0.00 ATOM 305 OG SER 39 14.096 14.898 18.325 1.00 0.00 ATOM 306 O SER 39 13.793 12.994 20.829 1.00 0.00 ATOM 307 C SER 39 12.763 13.530 20.441 1.00 0.00 ATOM 308 N ASP 40 11.992 14.258 21.241 1.00 0.00 ATOM 309 CA ASP 40 12.355 14.489 22.641 1.00 0.00 ATOM 310 CB ASP 40 12.402 15.913 23.007 1.00 0.00 ATOM 311 CG ASP 40 13.624 16.572 22.395 1.00 0.00 ATOM 312 OD1 ASP 40 14.750 16.107 22.662 1.00 0.00 ATOM 313 OD2 ASP 40 13.452 17.560 21.647 1.00 0.00 ATOM 314 O ASP 40 11.380 13.651 24.661 1.00 0.00 ATOM 315 C ASP 40 11.890 13.363 23.570 1.00 0.00 ATOM 316 N ASP 41 12.086 12.086 23.143 1.00 0.00 ATOM 317 CA ASP 41 11.642 10.940 23.952 1.00 0.00 ATOM 318 CB ASP 41 12.424 9.721 22.956 1.00 0.00 ATOM 319 CG ASP 41 13.649 9.419 23.752 1.00 0.00 ATOM 320 OD1 ASP 41 14.639 10.157 23.616 1.00 0.00 ATOM 321 OD2 ASP 41 13.611 8.455 24.536 1.00 0.00 ATOM 322 O ASP 41 11.671 10.506 26.310 1.00 0.00 ATOM 323 C ASP 41 12.291 10.927 25.333 1.00 0.00 ATOM 324 N SER 42 13.547 11.381 25.415 1.00 0.00 ATOM 325 CA SER 42 14.253 11.381 26.684 1.00 0.00 ATOM 326 CB SER 42 15.655 12.035 26.472 1.00 0.00 ATOM 327 OG SER 42 15.499 13.368 26.015 1.00 0.00 ATOM 328 O SER 42 13.795 11.863 28.982 1.00 0.00 ATOM 329 C SER 42 13.566 12.146 27.806 1.00 0.00 ATOM 330 N ILE 43 12.671 13.152 27.404 1.00 0.00 ATOM 331 CA ILE 43 11.996 13.959 28.414 1.00 0.00 ATOM 332 CB ILE 43 12.191 15.492 28.083 1.00 0.00 ATOM 333 CG1 ILE 43 11.745 16.352 29.269 1.00 0.00 ATOM 334 CG2 ILE 43 11.374 15.840 26.838 1.00 0.00 ATOM 335 CD1 ILE 43 12.014 17.833 29.093 1.00 0.00 ATOM 336 O ILE 43 9.847 14.035 29.502 1.00 0.00 ATOM 337 C ILE 43 10.551 13.511 28.635 1.00 0.00 ATOM 338 N LEU 44 9.896 12.425 27.862 1.00 0.00 ATOM 339 CA LEU 44 8.473 12.173 28.049 1.00 0.00 ATOM 340 CB LEU 44 7.684 13.232 28.646 1.00 0.00 ATOM 341 CG LEU 44 7.977 13.353 30.143 1.00 0.00 ATOM 342 CD1 LEU 44 7.457 14.666 30.742 1.00 0.00 ATOM 343 CD2 LEU 44 7.376 12.179 30.870 1.00 0.00 ATOM 344 O LEU 44 7.336 10.828 26.407 1.00 0.00 ATOM 345 C LEU 44 7.446 11.945 26.934 1.00 0.00 ATOM 346 N THR 45 6.235 12.934 26.574 1.00 0.00 ATOM 347 CA THR 45 5.215 12.773 25.532 1.00 0.00 ATOM 348 CB THR 45 4.378 13.983 25.407 1.00 0.00 ATOM 349 CG2 THR 45 3.438 13.856 24.227 1.00 0.00 ATOM 350 OG1 THR 45 3.555 14.079 26.582 1.00 0.00 ATOM 351 O THR 45 5.627 11.583 23.492 1.00 0.00 ATOM 352 C THR 45 6.043 12.414 24.300 1.00 0.00 ATOM 353 N ALA 46 7.201 13.053 24.156 1.00 0.00 ATOM 354 CA ALA 46 8.083 12.794 23.024 1.00 0.00 ATOM 355 CB ALA 46 9.220 13.775 22.902 1.00 0.00 ATOM 356 O ALA 46 8.625 10.725 21.943 1.00 0.00 ATOM 357 C ALA 46 8.575 11.348 22.998 1.00 0.00 ATOM 358 N ALA 47 8.911 10.828 24.165 1.00 0.00 ATOM 359 CA ALA 47 9.379 9.451 24.277 1.00 0.00 ATOM 360 CB ALA 47 9.675 9.045 25.622 1.00 0.00 ATOM 361 O ALA 47 8.490 7.506 23.180 1.00 0.00 ATOM 362 C ALA 47 8.253 8.504 23.863 1.00 0.00 ATOM 363 N LYS 48 7.110 8.758 24.302 1.00 0.00 ATOM 364 CA LYS 48 5.962 7.905 23.989 1.00 0.00 ATOM 365 CB LYS 48 4.721 8.406 24.726 1.00 0.00 ATOM 366 CG LYS 48 4.819 8.263 26.244 1.00 0.00 ATOM 367 CD LYS 48 3.630 8.925 26.949 1.00 0.00 ATOM 368 CE LYS 48 3.645 8.563 28.427 1.00 0.00 ATOM 369 NZ LYS 48 2.657 9.365 29.209 1.00 0.00 ATOM 370 O LYS 48 5.371 6.888 21.910 1.00 0.00 ATOM 371 C LYS 48 5.664 7.927 22.493 1.00 0.00 ATOM 372 N ARG 49 5.753 9.091 21.908 1.00 0.00 ATOM 373 CA ARG 49 5.510 9.207 20.475 1.00 0.00 ATOM 374 CB ARG 49 5.776 10.539 19.935 1.00 0.00 ATOM 375 CG ARG 49 4.743 11.592 20.339 1.00 0.00 ATOM 376 CD ARG 49 4.966 12.879 19.603 1.00 0.00 ATOM 377 NE ARG 49 4.089 13.969 19.969 1.00 0.00 ATOM 378 CZ ARG 49 2.852 14.142 19.531 1.00 0.00 ATOM 379 NH1 ARG 49 2.275 13.261 18.716 1.00 0.00 ATOM 380 NH2 ARG 49 2.182 15.222 19.917 1.00 0.00 ATOM 381 O ARG 49 6.125 7.673 18.747 1.00 0.00 ATOM 382 C ARG 49 6.498 8.361 19.690 1.00 0.00 ATOM 383 N GLU 50 7.765 8.417 20.088 1.00 0.00 ATOM 384 CA GLU 50 8.806 7.632 19.439 1.00 0.00 ATOM 385 CB GLU 50 10.173 7.943 20.054 1.00 0.00 ATOM 386 CG GLU 50 10.725 9.308 19.682 1.00 0.00 ATOM 387 CD GLU 50 10.923 9.469 18.188 1.00 0.00 ATOM 388 OE1 GLU 50 11.593 8.608 17.581 1.00 0.00 ATOM 389 OE2 GLU 50 10.408 10.457 17.622 1.00 0.00 ATOM 390 O GLU 50 8.643 5.369 18.634 1.00 0.00 ATOM 391 C GLU 50 8.534 6.127 19.601 1.00 0.00 ATOM 392 N SER 51 8.243 5.700 20.832 1.00 0.00 ATOM 393 CA SER 51 7.946 4.293 21.103 1.00 0.00 ATOM 394 CB SER 51 7.783 4.118 22.613 1.00 0.00 ATOM 395 OG SER 51 7.534 2.748 22.875 1.00 0.00 ATOM 396 O SER 51 6.634 2.760 19.795 1.00 0.00 ATOM 397 C SER 51 6.711 3.882 20.315 1.00 0.00 ATOM 398 N ILE 52 5.765 4.782 20.224 1.00 0.00 ATOM 399 CA ILE 52 4.558 4.493 19.441 1.00 0.00 ATOM 400 CB ILE 52 3.543 5.636 19.549 1.00 0.00 ATOM 401 CG1 ILE 52 3.073 5.772 20.999 1.00 0.00 ATOM 402 CG2 ILE 52 2.372 5.387 18.608 1.00 0.00 ATOM 403 CD1 ILE 52 2.329 4.570 21.532 1.00 0.00 ATOM 404 O ILE 52 4.390 3.282 17.368 1.00 0.00 ATOM 405 C ILE 52 4.916 4.211 17.980 1.00 0.00 ATOM 406 N ILE 53 5.799 5.016 17.449 1.00 0.00 ATOM 407 CA ILE 53 6.225 4.842 16.056 1.00 0.00 ATOM 408 CB ILE 53 7.175 5.958 15.586 1.00 0.00 ATOM 409 CG1 ILE 53 6.458 7.309 15.594 1.00 0.00 ATOM 410 CG2 ILE 53 7.665 5.679 14.173 1.00 0.00 ATOM 411 CD1 ILE 53 5.264 7.371 14.665 1.00 0.00 ATOM 412 O ILE 53 6.734 2.849 14.821 1.00 0.00 ATOM 413 C ILE 53 6.956 3.521 15.832 1.00 0.00 ATOM 414 N VAL 54 7.900 3.157 16.721 1.00 0.00 ATOM 415 CA VAL 54 8.610 1.896 16.595 1.00 0.00 ATOM 416 CB VAL 54 9.703 1.756 17.722 1.00 0.00 ATOM 417 CG1 VAL 54 10.356 0.362 17.663 1.00 0.00 ATOM 418 CG2 VAL 54 10.794 2.838 17.571 1.00 0.00 ATOM 419 O VAL 54 7.690 -0.206 15.879 1.00 0.00 ATOM 420 C VAL 54 7.602 0.752 16.651 1.00 0.00 ATOM 421 N SER 55 6.611 0.872 17.534 1.00 0.00 ATOM 422 CA SER 55 5.588 -0.159 17.642 1.00 0.00 ATOM 423 CB SER 55 4.626 0.092 18.750 1.00 0.00 ATOM 424 OG SER 55 5.297 0.076 19.998 1.00 0.00 ATOM 425 O SER 55 4.425 -1.309 15.885 1.00 0.00 ATOM 426 C SER 55 4.783 -0.227 16.355 1.00 0.00 ATOM 427 N SER 56 4.495 0.922 15.777 1.00 0.00 ATOM 428 CA SER 56 3.737 0.970 14.526 1.00 0.00 ATOM 429 CB SER 56 3.447 2.419 14.132 1.00 0.00 ATOM 430 OG SER 56 2.573 3.036 15.060 1.00 0.00 ATOM 431 O SER 56 4.024 -0.443 12.589 1.00 0.00 ATOM 432 C SER 56 4.537 0.318 13.415 1.00 0.00 ATOM 433 N SER 57 5.851 0.578 13.400 1.00 0.00 ATOM 434 CA SER 57 6.685 -0.056 12.369 1.00 0.00 ATOM 435 CB SER 57 8.108 0.545 12.439 1.00 0.00 ATOM 436 OG SER 57 8.107 1.935 12.167 1.00 0.00 ATOM 437 O SER 57 6.622 -2.297 11.552 1.00 0.00 ATOM 438 C SER 57 6.666 -1.556 12.531 1.00 0.00 ATOM 439 N ARG 58 6.685 -2.021 13.772 1.00 0.00 ATOM 440 CA ARG 58 6.674 -3.469 14.040 1.00 0.00 ATOM 441 CB ARG 58 6.760 -3.709 15.554 1.00 0.00 ATOM 442 CG ARG 58 6.810 -5.200 15.920 1.00 0.00 ATOM 443 CD ARG 58 6.804 -5.491 17.402 1.00 0.00 ATOM 444 NE ARG 58 6.872 -6.945 17.615 1.00 0.00 ATOM 445 CZ ARG 58 6.863 -7.542 18.794 1.00 0.00 ATOM 446 NH1 ARG 58 6.927 -8.884 18.872 1.00 0.00 ATOM 447 NH2 ARG 58 6.805 -6.837 19.909 1.00 0.00 ATOM 448 O ARG 58 5.430 -5.172 12.890 1.00 0.00 ATOM 449 C ARG 58 5.397 -4.103 13.487 1.00 0.00 ATOM 450 N ALA 59 4.239 -3.471 13.718 1.00 0.00 ATOM 451 CA ALA 59 2.987 -3.994 13.220 1.00 0.00 ATOM 452 CB ALA 59 1.848 -3.116 13.712 1.00 0.00 ATOM 453 O ALA 59 2.487 -4.861 11.046 1.00 0.00 ATOM 454 C ALA 59 3.008 -3.958 11.694 1.00 0.00 ATOM 455 N LEU 60 3.620 -2.934 11.132 1.00 0.00 ATOM 456 CA LEU 60 3.715 -2.820 9.678 1.00 0.00 ATOM 457 CB LEU 60 4.341 -1.524 9.264 1.00 0.00 ATOM 458 CG LEU 60 4.340 -1.283 7.756 1.00 0.00 ATOM 459 CD1 LEU 60 3.008 -1.672 7.128 1.00 0.00 ATOM 460 CD2 LEU 60 4.677 0.170 7.509 1.00 0.00 ATOM 461 O LEU 60 4.241 -4.522 8.065 1.00 0.00 ATOM 462 C LEU 60 4.568 -3.968 9.118 1.00 0.00 ATOM 463 N GLY 61 5.654 -4.281 9.789 1.00 0.00 ATOM 464 CA GLY 61 6.512 -5.365 9.313 1.00 0.00 ATOM 465 O GLY 61 5.849 -7.453 8.327 1.00 0.00 ATOM 466 C GLY 61 5.728 -6.671 9.272 1.00 0.00 ATOM 467 N ALA 62 4.912 -6.893 10.301 1.00 0.00 ATOM 468 CA ALA 62 4.104 -8.107 10.385 1.00 0.00 ATOM 469 CB ALA 62 3.370 -8.167 11.715 1.00 0.00 ATOM 470 O ALA 62 2.797 -9.184 8.688 1.00 0.00 ATOM 471 C ALA 62 3.070 -8.136 9.263 1.00 0.00 ATOM 472 N VAL 63 2.488 -6.970 8.974 1.00 0.00 ATOM 473 CA VAL 63 1.492 -6.882 7.919 1.00 0.00 ATOM 474 CB VAL 63 0.914 -5.473 7.789 1.00 0.00 ATOM 475 CG1 VAL 63 0.106 -5.347 6.501 1.00 0.00 ATOM 476 CG2 VAL 63 0.036 -5.189 8.993 1.00 0.00 ATOM 477 O VAL 63 1.562 -8.000 5.792 1.00 0.00 ATOM 478 C VAL 63 2.111 -7.229 6.580 1.00 0.00 ATOM 479 N ALA 64 3.271 -6.645 6.289 1.00 0.00 ATOM 480 CA ALA 64 3.940 -6.916 5.027 1.00 0.00 ATOM 481 CB ALA 64 5.218 -6.203 4.922 1.00 0.00 ATOM 482 O ALA 64 4.114 -9.061 3.918 1.00 0.00 ATOM 483 C ALA 64 4.353 -8.399 4.936 1.00 0.00 ATOM 484 N MET 65 4.961 -8.915 6.000 1.00 0.00 ATOM 485 CA MET 65 5.375 -10.310 6.007 1.00 0.00 ATOM 486 CB MET 65 6.119 -10.640 7.302 1.00 0.00 ATOM 487 CG MET 65 7.480 -9.974 7.425 1.00 0.00 ATOM 488 SD MET 65 8.427 -10.581 8.833 1.00 0.00 ATOM 489 CE MET 65 7.587 -9.762 10.185 1.00 0.00 ATOM 490 O MET 65 4.231 -12.240 5.156 1.00 0.00 ATOM 491 C MET 65 4.169 -11.231 5.859 1.00 0.00 ATOM 492 N ARG 66 3.055 -10.918 6.560 1.00 0.00 ATOM 493 CA ARG 66 1.852 -11.731 6.451 1.00 0.00 ATOM 494 CB ARG 66 0.590 -10.768 7.050 1.00 0.00 ATOM 495 CG ARG 66 -0.588 -11.441 7.773 1.00 0.00 ATOM 496 CD ARG 66 -1.571 -10.436 8.357 1.00 0.00 ATOM 497 NE ARG 66 -1.064 -9.792 9.568 1.00 0.00 ATOM 498 CZ ARG 66 -1.087 -10.336 10.783 1.00 0.00 ATOM 499 NH1 ARG 66 -1.602 -11.544 10.970 1.00 0.00 ATOM 500 NH2 ARG 66 -0.593 -9.667 11.819 1.00 0.00 ATOM 501 O ARG 66 0.897 -12.754 4.496 1.00 0.00 ATOM 502 C ARG 66 1.316 -11.726 5.024 1.00 0.00 ATOM 503 N LYS 67 1.278 -10.536 4.343 1.00 0.00 ATOM 504 CA LYS 67 0.777 -10.431 2.975 1.00 0.00 ATOM 505 CB LYS 67 0.898 -8.992 2.468 1.00 0.00 ATOM 506 CG LYS 67 -0.090 -8.026 3.101 1.00 0.00 ATOM 507 CD LYS 67 0.066 -6.626 2.532 1.00 0.00 ATOM 508 CE LYS 67 -0.859 -5.640 3.228 1.00 0.00 ATOM 509 NZ LYS 67 -2.294 -5.944 2.968 1.00 0.00 ATOM 510 O LYS 67 1.065 -12.050 1.216 1.00 0.00 ATOM 511 C LYS 67 1.606 -11.340 2.071 1.00 0.00 ATOM 512 N ILE 68 2.928 -11.350 2.287 1.00 0.00 ATOM 513 CA ILE 68 3.826 -12.180 1.487 1.00 0.00 ATOM 514 CB ILE 68 5.306 -11.775 1.753 1.00 0.00 ATOM 515 CG1 ILE 68 5.546 -10.353 1.248 1.00 0.00 ATOM 516 CG2 ILE 68 6.262 -12.760 1.080 1.00 0.00 ATOM 517 CD1 ILE 68 6.930 -9.806 1.568 1.00 0.00 ATOM 518 O ILE 68 3.648 -14.506 0.890 1.00 0.00 ATOM 519 C ILE 68 3.674 -13.673 1.798 1.00 0.00 ATOM 520 N GLU 69 3.575 -13.996 3.063 1.00 0.00 ATOM 521 CA GLU 69 3.374 -15.407 3.450 1.00 0.00 ATOM 522 CB GLU 69 3.243 -15.507 4.971 1.00 0.00 ATOM 523 CG GLU 69 4.529 -15.213 5.725 1.00 0.00 ATOM 524 CD GLU 69 4.334 -15.202 7.229 1.00 0.00 ATOM 525 OE1 GLU 69 3.177 -15.351 7.678 1.00 0.00 ATOM 526 OE2 GLU 69 5.334 -15.043 7.958 1.00 0.00 ATOM 527 O GLU 69 2.130 -17.149 2.374 1.00 0.00 ATOM 528 C GLU 69 2.123 -15.997 2.811 1.00 0.00 ATOM 529 N ALA 70 1.036 -15.233 2.796 1.00 0.00 ATOM 530 CA ALA 70 -0.196 -15.720 2.178 1.00 0.00 ATOM 531 CB ALA 70 -1.349 -14.667 2.476 1.00 0.00 ATOM 532 O ALA 70 -0.564 -16.877 0.119 1.00 0.00 ATOM 533 C ALA 70 0.024 -15.964 0.692 1.00 0.00 ATOM 534 N LYS 71 0.774 -15.079 0.034 1.00 0.00 ATOM 535 CA LYS 71 1.032 -15.261 -1.389 1.00 0.00 ATOM 536 CB LYS 71 1.884 -14.113 -1.931 1.00 0.00 ATOM 537 CG LYS 71 1.153 -12.783 -2.013 1.00 0.00 ATOM 538 CD LYS 71 2.057 -11.688 -2.559 1.00 0.00 ATOM 539 CE LYS 71 1.332 -10.353 -2.619 1.00 0.00 ATOM 540 NZ LYS 71 2.215 -9.265 -3.121 1.00 0.00 ATOM 541 O LYS 71 1.379 -17.359 -2.468 1.00 0.00 ATOM 542 C LYS 71 1.764 -16.572 -1.598 1.00 0.00 ATOM 543 N VAL 72 2.791 -16.840 -0.780 1.00 0.00 ATOM 544 CA VAL 72 3.513 -18.081 -0.877 1.00 0.00 ATOM 545 CB VAL 72 4.660 -18.147 0.149 1.00 0.00 ATOM 546 CG1 VAL 72 5.288 -19.534 0.158 1.00 0.00 ATOM 547 CG2 VAL 72 5.741 -17.134 -0.192 1.00 0.00 ATOM 548 O VAL 72 2.571 -20.232 -1.391 1.00 0.00 ATOM 549 C VAL 72 2.589 -19.274 -0.618 1.00 0.00 ATOM 550 N ARG 73 1.829 -19.193 0.458 1.00 0.00 ATOM 551 CA ARG 73 0.919 -20.283 0.815 1.00 0.00 ATOM 552 CB ARG 73 0.170 -19.989 2.101 1.00 0.00 ATOM 553 CG ARG 73 -0.632 -21.201 2.589 1.00 0.00 ATOM 554 CD ARG 73 -1.504 -20.857 3.794 1.00 0.00 ATOM 555 NE ARG 73 -0.712 -20.478 4.957 1.00 0.00 ATOM 556 CZ ARG 73 -0.434 -19.236 5.356 1.00 0.00 ATOM 557 NH1 ARG 73 -0.885 -18.128 4.740 1.00 0.00 ATOM 558 NH2 ARG 73 0.319 -19.077 6.439 1.00 0.00 ATOM 559 O ARG 73 -0.340 -21.678 -0.618 1.00 0.00 ATOM 560 C ARG 73 -0.114 -20.521 -0.271 1.00 0.00 ATOM 561 N SER 74 -0.832 -19.487 -0.713 1.00 0.00 ATOM 562 CA SER 74 -1.902 -19.781 -1.690 1.00 0.00 ATOM 563 CB SER 74 -2.716 -18.517 -1.922 1.00 0.00 ATOM 564 OG SER 74 -3.432 -18.175 -0.742 1.00 0.00 ATOM 565 O SER 74 -1.963 -21.245 -3.560 1.00 0.00 ATOM 566 C SER 74 -1.351 -20.303 -2.987 1.00 0.00 ATOM 567 N ARG 75 -0.232 -19.781 -3.468 1.00 0.00 ATOM 568 CA ARG 75 0.420 -20.278 -4.656 1.00 0.00 ATOM 569 CB ARG 75 1.724 -19.630 -4.943 1.00 0.00 ATOM 570 CG ARG 75 1.616 -18.244 -5.434 1.00 0.00 ATOM 571 CD ARG 75 0.981 -18.106 -6.816 1.00 0.00 ATOM 572 NE ARG 75 1.005 -16.694 -7.178 1.00 0.00 ATOM 573 CZ ARG 75 0.386 -16.183 -8.235 1.00 0.00 ATOM 574 NH1 ARG 75 -0.208 -16.970 -9.065 1.00 0.00 ATOM 575 NH2 ARG 75 0.379 -14.880 -8.474 1.00 0.00 ATOM 576 O ARG 75 0.522 -22.600 -5.296 1.00 0.00 ATOM 577 C ARG 75 0.835 -21.720 -4.475 1.00 0.00 ATOM 578 N ALA 76 1.468 -22.050 -3.336 1.00 0.00 ATOM 579 CA ALA 76 1.942 -23.415 -3.093 1.00 0.00 ATOM 580 CB ALA 76 2.565 -23.565 -1.780 1.00 0.00 ATOM 581 O ALA 76 0.780 -25.491 -3.506 1.00 0.00 ATOM 582 C ALA 76 0.747 -24.375 -2.953 1.00 0.00 ATOM 583 N ALA 77 -0.312 -23.951 -2.261 1.00 0.00 ATOM 584 CA ALA 77 -1.457 -24.828 -2.018 1.00 0.00 ATOM 585 CB ALA 77 -2.505 -24.109 -1.180 1.00 0.00 ATOM 586 O ALA 77 -2.468 -26.436 -3.479 1.00 0.00 ATOM 587 C ALA 77 -2.095 -25.273 -3.328 1.00 0.00 ATOM 588 N LYS 78 -2.215 -24.348 -4.276 1.00 0.00 ATOM 589 CA LYS 78 -2.800 -24.680 -5.575 1.00 0.00 ATOM 590 CB LYS 78 -2.933 -23.441 -6.478 1.00 0.00 ATOM 591 CG LYS 78 -3.988 -23.567 -7.526 1.00 0.00 ATOM 592 CD LYS 78 -4.105 -22.244 -8.353 1.00 0.00 ATOM 593 CE LYS 78 -4.489 -22.493 -9.815 1.00 0.00 ATOM 594 NZ LYS 78 -5.753 -23.281 -9.921 1.00 0.00 ATOM 595 O LYS 78 -2.501 -26.668 -6.892 1.00 0.00 ATOM 596 C LYS 78 -1.967 -25.719 -6.312 1.00 0.00 ATOM 597 N ALA 79 -0.645 -25.575 -6.274 1.00 0.00 ATOM 598 CA ALA 79 0.222 -26.524 -6.940 1.00 0.00 ATOM 599 CB ALA 79 1.302 -25.764 -7.732 1.00 0.00 ATOM 600 O ALA 79 1.638 -28.391 -6.534 1.00 0.00 ATOM 601 C ALA 79 0.911 -27.513 -6.000 1.00 0.00 ATOM 602 N VAL 80 0.797 -27.400 -4.688 1.00 0.00 ATOM 603 CA VAL 80 1.601 -28.205 -3.744 1.00 0.00 ATOM 604 CB VAL 80 2.351 -27.325 -2.770 1.00 0.00 ATOM 605 CG1 VAL 80 3.016 -28.124 -1.663 1.00 0.00 ATOM 606 CG2 VAL 80 3.418 -26.574 -3.575 1.00 0.00 ATOM 607 O VAL 80 -0.234 -28.400 -2.178 1.00 0.00 ATOM 608 C VAL 80 0.680 -28.976 -2.801 1.00 0.00 ATOM 609 N THR 81 0.876 -30.312 -2.687 1.00 0.00 ATOM 610 CA THR 81 0.065 -31.160 -1.802 1.00 0.00 ATOM 611 CB THR 81 0.144 -32.629 -2.238 1.00 0.00 ATOM 612 CG2 THR 81 -0.270 -32.857 -3.684 1.00 0.00 ATOM 613 OG1 THR 81 1.504 -33.044 -2.014 1.00 0.00 ATOM 614 O THR 81 1.584 -30.320 -0.100 1.00 0.00 ATOM 615 C THR 81 0.567 -30.979 -0.361 1.00 0.00 ATOM 616 N GLU 82 -0.150 -31.626 0.579 1.00 0.00 ATOM 617 CA GLU 82 0.237 -31.525 1.981 1.00 0.00 ATOM 618 CB GLU 82 -0.764 -32.269 2.867 1.00 0.00 ATOM 619 CG GLU 82 -2.123 -31.596 2.972 1.00 0.00 ATOM 620 CD GLU 82 -3.124 -32.422 3.757 1.00 0.00 ATOM 621 OE1 GLU 82 -2.776 -33.553 4.155 1.00 0.00 ATOM 622 OE2 GLU 82 -4.254 -31.937 3.972 1.00 0.00 ATOM 623 O GLU 82 2.382 -31.582 3.039 1.00 0.00 ATOM 624 C GLU 82 1.606 -32.116 2.250 1.00 0.00 ATOM 625 N GLN 83 1.888 -33.188 1.572 1.00 0.00 ATOM 626 CA GLN 83 3.153 -33.886 1.740 1.00 0.00 ATOM 627 CB GLN 83 3.139 -35.219 0.997 1.00 0.00 ATOM 628 CG GLN 83 2.280 -36.273 1.663 1.00 0.00 ATOM 629 CD GLN 83 2.106 -37.510 0.813 1.00 0.00 ATOM 630 OE1 GLN 83 1.988 -37.406 -0.388 1.00 0.00 ATOM 631 NE2 GLN 83 2.129 -38.676 1.440 1.00 0.00 ATOM 632 O GLN 83 5.370 -33.017 1.889 1.00 0.00 ATOM 633 C GLN 83 4.319 -33.038 1.248 1.00 0.00 ATOM 634 N GLU 84 4.162 -32.345 0.120 1.00 0.00 ATOM 635 CA GLU 84 5.250 -31.497 -0.370 1.00 0.00 ATOM 636 CB GLU 84 4.898 -30.914 -1.740 1.00 0.00 ATOM 637 CG GLU 84 4.879 -31.936 -2.865 1.00 0.00 ATOM 638 CD GLU 84 4.407 -31.348 -4.179 1.00 0.00 ATOM 639 OE1 GLU 84 4.026 -30.158 -4.195 1.00 0.00 ATOM 640 OE2 GLU 84 4.419 -32.076 -5.194 1.00 0.00 ATOM 641 O GLU 84 6.640 -29.981 0.870 1.00 0.00 ATOM 642 C GLU 84 5.485 -30.351 0.593 1.00 0.00 ATOM 643 N LEU 85 4.430 -29.795 1.105 1.00 0.00 ATOM 644 CA LEU 85 4.556 -28.691 2.047 1.00 0.00 ATOM 645 CB LEU 85 3.124 -28.122 2.366 1.00 0.00 ATOM 646 CG LEU 85 3.068 -26.987 3.407 1.00 0.00 ATOM 647 CD1 LEU 85 3.961 -25.807 2.963 1.00 0.00 ATOM 648 CD2 LEU 85 1.630 -26.544 3.618 1.00 0.00 ATOM 649 O LEU 85 6.143 -28.431 3.855 1.00 0.00 ATOM 650 C LEU 85 5.245 -29.128 3.341 1.00 0.00 ATOM 651 N THR 86 4.874 -30.301 3.848 1.00 0.00 ATOM 652 CA THR 86 5.489 -30.845 5.055 1.00 0.00 ATOM 653 CB THR 86 4.754 -32.108 5.543 1.00 0.00 ATOM 654 CG2 THR 86 5.432 -32.675 6.779 1.00 0.00 ATOM 655 OG1 THR 86 3.397 -31.780 5.867 1.00 0.00 ATOM 656 O THR 86 7.787 -30.958 5.692 1.00 0.00 ATOM 657 C THR 86 6.948 -31.217 4.809 1.00 0.00 ATOM 658 N SER 87 7.269 -31.732 3.617 1.00 0.00 ATOM 659 CA SER 87 8.671 -32.009 3.218 1.00 0.00 ATOM 660 CB SER 87 8.731 -32.504 1.771 1.00 0.00 ATOM 661 OG SER 87 8.104 -33.769 1.639 1.00 0.00 ATOM 662 O SER 87 10.569 -30.727 3.933 1.00 0.00 ATOM 663 C SER 87 9.501 -30.726 3.342 1.00 0.00 ATOM 664 N LEU 88 9.008 -29.617 2.811 1.00 0.00 ATOM 665 CA LEU 88 9.754 -28.372 2.814 1.00 0.00 ATOM 666 CB LEU 88 9.100 -27.352 1.880 1.00 0.00 ATOM 667 CG LEU 88 9.178 -27.657 0.384 1.00 0.00 ATOM 668 CD1 LEU 88 8.342 -26.666 -0.412 1.00 0.00 ATOM 669 CD2 LEU 88 10.614 -27.567 -0.109 1.00 0.00 ATOM 670 O LEU 88 10.928 -27.297 4.610 1.00 0.00 ATOM 671 C LEU 88 9.876 -27.800 4.219 1.00 0.00 ATOM 672 N LEU 89 8.774 -27.846 4.986 1.00 0.00 ATOM 673 CA LEU 89 8.778 -27.318 6.340 1.00 0.00 ATOM 674 CB LEU 89 7.395 -27.439 6.966 1.00 0.00 ATOM 675 CG LEU 89 7.195 -26.873 8.376 1.00 0.00 ATOM 676 CD1 LEU 89 7.516 -25.387 8.394 1.00 0.00 ATOM 677 CD2 LEU 89 5.754 -27.112 8.812 1.00 0.00 ATOM 678 O LEU 89 10.447 -27.416 8.081 1.00 0.00 ATOM 679 C LEU 89 9.833 -28.034 7.187 1.00 0.00 ATOM 680 N GLN 90 9.961 -29.340 6.985 1.00 0.00 ATOM 681 CA GLN 90 10.880 -30.132 7.795 1.00 0.00 ATOM 682 CB GLN 90 10.755 -31.619 7.444 1.00 0.00 ATOM 683 CG GLN 90 9.528 -32.258 8.082 1.00 0.00 ATOM 684 CD GLN 90 9.235 -33.664 7.585 1.00 0.00 ATOM 685 OE1 GLN 90 8.425 -34.381 8.175 1.00 0.00 ATOM 686 NE2 GLN 90 9.878 -34.058 6.492 1.00 0.00 ATOM 687 O GLN 90 13.070 -29.471 8.542 1.00 0.00 ATOM 688 C GLN 90 12.310 -29.631 7.586 1.00 0.00 ATOM 689 N SER 91 12.667 -29.386 6.326 1.00 0.00 ATOM 690 CA SER 91 14.008 -28.913 5.997 1.00 0.00 ATOM 691 CB SER 91 14.176 -28.838 4.486 1.00 0.00 ATOM 692 OG SER 91 13.918 -30.108 3.918 1.00 0.00 ATOM 693 O SER 91 15.355 -27.284 7.126 1.00 0.00 ATOM 694 C SER 91 14.273 -27.540 6.596 1.00 0.00 ATOM 695 N LEU 92 13.289 -26.662 6.522 1.00 0.00 ATOM 696 CA LEU 92 13.453 -25.324 7.070 1.00 0.00 ATOM 697 CB LEU 92 12.260 -24.440 6.695 1.00 0.00 ATOM 698 CG LEU 92 12.349 -22.995 7.197 1.00 0.00 ATOM 699 CD1 LEU 92 13.505 -22.284 6.502 1.00 0.00 ATOM 700 CD2 LEU 92 11.040 -22.272 6.945 1.00 0.00 ATOM 701 O LEU 92 14.402 -24.536 9.128 1.00 0.00 ATOM 702 C LEU 92 13.611 -25.312 8.589 1.00 0.00 ATOM 703 N THR 93 12.858 -26.171 9.284 1.00 0.00 ATOM 704 CA THR 93 12.949 -26.233 10.741 1.00 0.00 ATOM 705 CB THR 93 11.897 -27.138 11.389 1.00 0.00 ATOM 706 CG2 THR 93 10.494 -26.641 11.055 1.00 0.00 ATOM 707 OG1 THR 93 12.075 -28.478 10.930 1.00 0.00 ATOM 708 O THR 93 14.927 -26.264 12.092 1.00 0.00 ATOM 709 C THR 93 14.334 -26.740 11.125 1.00 0.00 ATOM 710 N LEU 94 14.844 -27.709 10.369 1.00 0.00 ATOM 711 CA LEU 94 16.180 -28.236 10.641 1.00 0.00 ATOM 712 CB LEU 94 16.510 -29.459 9.824 1.00 0.00 ATOM 713 CG LEU 94 15.568 -30.633 10.235 1.00 0.00 ATOM 714 CD1 LEU 94 15.682 -31.785 9.234 1.00 0.00 ATOM 715 CD2 LEU 94 15.949 -31.149 11.645 1.00 0.00 ATOM 716 O LEU 94 18.113 -26.904 11.197 1.00 0.00 ATOM 717 C LEU 94 17.207 -27.127 10.391 1.00 0.00 ATOM 718 N ARG 95 17.031 -26.395 9.324 1.00 0.00 ATOM 719 CA ARG 95 17.934 -25.305 8.929 1.00 0.00 ATOM 720 CB ARG 95 18.934 -25.678 7.833 1.00 0.00 ATOM 721 CG ARG 95 19.930 -26.786 8.207 1.00 0.00 ATOM 722 CD ARG 95 20.991 -26.376 9.215 1.00 0.00 ATOM 723 NE ARG 95 21.966 -27.439 9.384 1.00 0.00 ATOM 724 CZ ARG 95 21.822 -28.398 10.254 1.00 0.00 ATOM 725 NH1 ARG 95 20.751 -28.502 11.062 1.00 0.00 ATOM 726 NH2 ARG 95 22.744 -29.369 10.329 1.00 0.00 ATOM 727 O ARG 95 16.757 -24.054 7.270 1.00 0.00 ATOM 728 C ARG 95 17.078 -24.183 8.504 1.00 0.00 ATOM 729 N VAL 96 16.616 -23.349 9.423 1.00 0.00 ATOM 730 CA VAL 96 15.724 -22.220 9.113 1.00 0.00 ATOM 731 CB VAL 96 14.906 -21.732 10.342 1.00 0.00 ATOM 732 CG1 VAL 96 13.762 -20.802 9.867 1.00 0.00 ATOM 733 CG2 VAL 96 14.339 -22.857 11.156 1.00 0.00 ATOM 734 O VAL 96 17.368 -20.468 9.081 1.00 0.00 ATOM 735 C VAL 96 16.468 -21.053 8.416 1.00 0.00 ATOM 736 N ASP 97 16.106 -20.798 7.161 1.00 0.00 ATOM 737 CA ASP 97 16.699 -19.691 6.406 1.00 0.00 ATOM 738 CB ASP 97 16.214 -19.589 4.998 1.00 0.00 ATOM 739 CG ASP 97 16.628 -20.772 4.148 1.00 0.00 ATOM 740 OD1 ASP 97 17.480 -21.570 4.604 1.00 0.00 ATOM 741 OD2 ASP 97 16.104 -20.890 3.019 1.00 0.00 ATOM 742 O ASP 97 17.265 -17.522 7.271 1.00 0.00 ATOM 743 C ASP 97 16.411 -18.394 7.139 1.00 0.00 ATOM 744 N VAL 98 15.177 -18.302 7.593 1.00 0.00 ATOM 745 CA VAL 98 14.750 -17.108 8.300 1.00 0.00 ATOM 746 CB VAL 98 13.234 -17.082 8.660 1.00 0.00 ATOM 747 CG1 VAL 98 12.935 -15.858 9.468 1.00 0.00 ATOM 748 CG2 VAL 98 12.352 -17.052 7.397 1.00 0.00 ATOM 749 O VAL 98 15.882 -15.848 9.983 1.00 0.00 ATOM 750 C VAL 98 15.486 -16.955 9.609 1.00 0.00 ATOM 751 N SER 99 15.727 -18.048 10.324 1.00 0.00 ATOM 752 CA SER 99 16.496 -17.956 11.581 1.00 0.00 ATOM 753 CB SER 99 16.555 -19.315 12.290 1.00 0.00 ATOM 754 OG SER 99 15.304 -19.633 12.863 1.00 0.00 ATOM 755 O SER 99 18.427 -16.571 12.004 1.00 0.00 ATOM 756 C SER 99 17.920 -17.443 11.286 1.00 0.00 ATOM 757 N MET 100 18.532 -17.980 10.243 1.00 0.00 ATOM 758 CA MET 100 19.896 -17.576 9.939 1.00 0.00 ATOM 759 CB MET 100 20.555 -18.572 8.974 1.00 0.00 ATOM 760 CG MET 100 20.866 -19.904 9.615 1.00 0.00 ATOM 761 SD MET 100 21.897 -19.747 11.099 1.00 0.00 ATOM 762 CE MET 100 20.651 -19.703 12.385 1.00 0.00 ATOM 763 O MET 100 20.910 -15.420 9.629 1.00 0.00 ATOM 764 C MET 100 19.924 -16.118 9.437 1.00 0.00 ATOM 765 N GLU 101 18.841 -15.666 8.799 1.00 0.00 ATOM 766 CA GLU 101 18.743 -14.257 8.413 1.00 0.00 ATOM 767 CB GLU 101 17.557 -13.914 7.595 1.00 0.00 ATOM 768 CG GLU 101 17.629 -14.554 6.194 1.00 0.00 ATOM 769 CD GLU 101 18.916 -14.181 5.430 1.00 0.00 ATOM 770 OE1 GLU 101 19.143 -12.963 5.181 1.00 0.00 ATOM 771 OE2 GLU 101 19.704 -15.108 5.100 1.00 0.00 ATOM 772 O GLU 101 19.336 -12.356 9.760 1.00 0.00 ATOM 773 C GLU 101 18.691 -13.411 9.684 1.00 0.00 ATOM 774 N GLU 102 17.950 -13.831 10.710 1.00 0.00 ATOM 775 CA GLU 102 17.857 -13.057 11.945 1.00 0.00 ATOM 776 CB GLU 102 17.030 -13.656 12.982 1.00 0.00 ATOM 777 CG GLU 102 17.109 -12.933 14.326 1.00 0.00 ATOM 778 CD GLU 102 16.523 -13.734 15.476 1.00 0.00 ATOM 779 OE1 GLU 102 16.521 -13.218 16.616 1.00 0.00 ATOM 780 OE2 GLU 102 16.071 -14.878 15.247 1.00 0.00 ATOM 781 O GLU 102 19.595 -11.910 13.137 1.00 0.00 ATOM 782 C GLU 102 19.223 -12.956 12.600 1.00 0.00 TER END