PFRMAT TS TARGET T0357 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 For this preliminary submission I chose 5 models: METHOD METHOD Model 1 is try13-opt2, the cloest we got to forming a barrel, and the METHOD best scoring with the unconstrained costfcn. METHOD METHOD Model 2 is try9-opt2.gromacs0.repack-nonPC, which is try9-opt2, METHOD reoptimized by gromacs (which mainly removes small clashes), METHOD then with sidechains repacked by rosetta. It is rosetta's METHOD favorite of the models for which it repacked sidechains. METHOD METHOD Model 3 is try2-opt2, which scores best with several of the cost METHOD functions we tried. It was optimized from alignments, METHOD including 1i9aA, 1v7lA, 1uarA, 2gwhA, 1p3rA, 1jtkA. Several METHOD of these alignments may have ended up being just short METHOD fragments. METHOD METHOD Model 4 is try14-opt2.gromacs0.repack-nonPC, which is try9-opt2, METHOD reoptimized by gromacs (which mainly removes small clashes), METHOD then with sidechains repacked by rosetta. It is rosetta's METHOD 2nd favorite of the models for which it repacked sidechains. METHOD Try14-opt2 was created from alignments by undertaker, with the METHOD sam barrel-forming costfcn as try13-opt2. METHOD METHOD Model 5 is try1-opt2, the fully automatic model. REMARK 6 REMARK 6 T0357 model 3 Tue Jul 25 19:25:03 2006 MODEL 3 PARENT 1v7l_A 2d13_A 2etl_A 1qdl_B 2g74_A REMARK 7 REMARK 7 ALLPARENTS 1v7l_A 2d13_A 2etl_A 1qdl_B 2g74_A 1x83_A 1vi4_A REMARK 7 ALLPARENTS 1ppv_A 1vbk_A 1q54_A 1hx3_A 1rxy_A 1nbw_A 2bsx_A REMARK 7 ALLPARENTS 1q1g_A 1p3r_A 1qme_A 1r67_A 1bg6 2gan_A ATOM 1 N MET 1 -7.872 32.395 0.999 1.00 0.00 ATOM 2 CA MET 1 -6.906 31.374 1.515 1.00 0.00 ATOM 3 CB MET 1 -7.032 30.101 0.684 1.00 0.00 ATOM 4 CG MET 1 -6.082 28.966 1.161 1.00 0.00 ATOM 5 SD MET 1 -6.238 28.550 2.935 1.00 0.00 ATOM 6 CE MET 1 -8.052 28.211 3.070 1.00 0.00 ATOM 7 O MET 1 -5.211 32.689 0.479 1.00 0.00 ATOM 8 C MET 1 -5.492 31.947 1.430 1.00 0.00 ATOM 9 N VAL 2 -4.638 31.632 2.417 1.00 0.00 ATOM 10 CA VAL 2 -3.243 32.095 2.439 1.00 0.00 ATOM 11 CB VAL 2 -2.459 31.467 3.606 1.00 0.00 ATOM 12 CG1 VAL 2 -0.987 31.839 3.520 1.00 0.00 ATOM 13 CG2 VAL 2 -3.002 31.960 4.940 1.00 0.00 ATOM 14 O VAL 2 -2.770 30.528 0.695 1.00 0.00 ATOM 15 C VAL 2 -2.622 31.677 1.115 1.00 0.00 ATOM 16 N LYS 3 -1.898 32.600 0.491 1.00 0.00 ATOM 17 CA LYS 3 -1.238 32.286 -0.816 1.00 0.00 ATOM 18 CB LYS 3 -0.281 33.692 -0.948 1.00 0.00 ATOM 19 CG LYS 3 -0.813 34.978 -0.338 1.00 0.00 ATOM 20 CD LYS 3 0.302 36.004 -0.197 1.00 0.00 ATOM 21 CE LYS 3 -0.208 37.318 0.377 1.00 0.00 ATOM 22 NZ LYS 3 -1.160 37.995 -0.545 1.00 0.00 ATOM 23 O LYS 3 -0.255 30.120 -1.208 1.00 0.00 ATOM 24 C LYS 3 -0.241 31.146 -0.546 1.00 0.00 ATOM 25 N PHE 4 0.582 31.309 0.456 1.00 0.00 ATOM 26 CA PHE 4 1.591 30.312 0.751 1.00 0.00 ATOM 27 CB PHE 4 2.564 30.900 1.805 1.00 0.00 ATOM 28 CG PHE 4 3.709 29.967 2.162 1.00 0.00 ATOM 29 CD1 PHE 4 4.881 29.978 1.414 1.00 0.00 ATOM 30 CD2 PHE 4 3.621 29.103 3.248 1.00 0.00 ATOM 31 CE1 PHE 4 5.957 29.133 1.698 1.00 0.00 ATOM 32 CE2 PHE 4 4.692 28.238 3.520 1.00 0.00 ATOM 33 CZ PHE 4 5.868 28.256 2.795 1.00 0.00 ATOM 34 O PHE 4 1.391 27.907 0.863 1.00 0.00 ATOM 35 C PHE 4 0.944 29.010 1.220 1.00 0.00 ATOM 36 N ALA 5 0.132 29.024 2.351 1.00 0.00 ATOM 37 CA ALA 5 -0.382 27.761 2.870 1.00 0.00 ATOM 38 CB ALA 5 -0.037 27.614 4.345 1.00 0.00 ATOM 39 O ALA 5 -2.583 28.671 3.160 1.00 0.00 ATOM 40 C ALA 5 -1.895 27.740 2.727 1.00 0.00 ATOM 41 N CYS 6 -2.388 26.699 2.095 1.00 0.00 ATOM 42 CA CYS 6 -3.818 26.541 1.865 1.00 0.00 ATOM 43 CB CYS 6 -4.132 26.440 0.371 1.00 0.00 ATOM 44 SG CYS 6 -3.637 27.884 -0.596 1.00 0.00 ATOM 45 O CYS 6 -3.546 24.329 2.727 1.00 0.00 ATOM 46 C CYS 6 -4.297 25.289 2.569 1.00 0.00 ATOM 47 N ARG 7 -5.534 25.315 3.042 1.00 0.00 ATOM 48 CA ARG 7 -6.077 24.158 3.727 1.00 0.00 ATOM 49 CB ARG 7 -6.252 24.413 5.221 1.00 0.00 ATOM 50 CG ARG 7 -4.953 24.616 5.990 1.00 0.00 ATOM 51 CD ARG 7 -5.218 24.826 7.480 1.00 0.00 ATOM 52 NE ARG 7 -6.015 26.023 7.746 1.00 0.00 ATOM 53 CZ ARG 7 -6.189 26.559 8.951 1.00 0.00 ATOM 54 NH1 ARG 7 -5.622 26.010 10.020 1.00 0.00 ATOM 55 NH2 ARG 7 -6.943 27.642 9.090 1.00 0.00 ATOM 56 O ARG 7 -8.156 24.927 2.860 1.00 0.00 ATOM 57 C ARG 7 -7.510 23.985 3.313 1.00 0.00 ATOM 58 N ALA 8 -7.995 22.760 3.419 1.00 0.00 ATOM 59 CA ALA 8 -9.387 22.516 3.124 1.00 0.00 ATOM 60 CB ALA 8 -9.582 21.232 2.393 1.00 0.00 ATOM 61 O ALA 8 -9.387 21.545 5.291 1.00 0.00 ATOM 62 C ALA 8 -9.974 22.345 4.530 1.00 0.00 ATOM 63 N ILE 9 -10.941 23.117 4.815 1.00 0.00 ATOM 64 CA ILE 9 -11.547 23.060 6.165 1.00 0.00 ATOM 65 CB ILE 9 -11.416 24.387 6.936 1.00 0.00 ATOM 66 CG1 ILE 9 -12.107 25.517 6.171 1.00 0.00 ATOM 67 CG2 ILE 9 -9.952 24.753 7.120 1.00 0.00 ATOM 68 CD1 ILE 9 -12.201 26.812 6.949 1.00 0.00 ATOM 69 O ILE 9 -13.716 23.124 5.127 1.00 0.00 ATOM 70 C ILE 9 -13.024 22.735 6.076 1.00 0.00 ATOM 71 N THR 10 -13.490 21.997 7.072 1.00 0.00 ATOM 72 CA THR 10 -14.886 21.621 7.177 1.00 0.00 ATOM 73 CB THR 10 -15.076 20.104 6.993 1.00 0.00 ATOM 74 CG2 THR 10 -16.550 19.737 7.076 1.00 0.00 ATOM 75 OG1 THR 10 -14.570 19.709 5.711 1.00 0.00 ATOM 76 O THR 10 -14.743 21.545 9.563 1.00 0.00 ATOM 77 C THR 10 -15.272 22.063 8.577 1.00 0.00 ATOM 78 N ARG 11 -16.166 23.037 8.668 1.00 0.00 ATOM 79 CA ARG 11 -16.597 23.519 9.968 1.00 0.00 ATOM 80 CB ARG 11 -17.382 22.435 10.709 1.00 0.00 ATOM 81 CG ARG 11 -18.683 22.039 10.031 1.00 0.00 ATOM 82 CD ARG 11 -19.501 21.108 10.911 1.00 0.00 ATOM 83 NE ARG 11 -20.633 20.528 10.190 1.00 0.00 ATOM 84 CZ ARG 11 -21.517 19.697 10.731 1.00 0.00 ATOM 85 NH1 ARG 11 -22.513 19.219 9.999 1.00 0.00 ATOM 86 NH2 ARG 11 -21.401 19.343 12.004 1.00 0.00 ATOM 87 O ARG 11 -15.393 23.754 12.051 1.00 0.00 ATOM 88 C ARG 11 -15.430 23.992 10.845 1.00 0.00 ATOM 89 N GLY 12 -14.456 24.706 10.241 1.00 0.00 ATOM 90 CA GLY 12 -13.313 25.244 10.964 1.00 0.00 ATOM 91 O GLY 12 -11.323 24.500 12.074 1.00 0.00 ATOM 92 C GLY 12 -12.241 24.222 11.297 1.00 0.00 ATOM 93 N ARG 13 -12.401 22.937 10.754 1.00 0.00 ATOM 94 CA ARG 13 -11.430 21.883 11.000 1.00 0.00 ATOM 95 CB ARG 13 -12.205 20.637 11.432 1.00 0.00 ATOM 96 CG ARG 13 -11.325 19.446 11.774 1.00 0.00 ATOM 97 CD ARG 13 -12.155 18.261 12.241 1.00 0.00 ATOM 98 NE ARG 13 -11.324 17.100 12.556 1.00 0.00 ATOM 99 CZ ARG 13 -11.794 15.957 13.045 1.00 0.00 ATOM 100 NH1 ARG 13 -10.964 14.956 13.302 1.00 0.00 ATOM 101 NH2 ARG 13 -13.093 15.817 13.276 1.00 0.00 ATOM 102 O ARG 13 -11.138 21.398 8.677 1.00 0.00 ATOM 103 C ARG 13 -10.596 21.588 9.766 1.00 0.00 ATOM 104 N ALA 14 -9.276 21.551 9.918 1.00 0.00 ATOM 105 CA ALA 14 -8.384 21.255 8.801 1.00 0.00 ATOM 106 CB ALA 14 -6.962 21.659 9.155 1.00 0.00 ATOM 107 O ALA 14 -7.901 18.957 9.246 1.00 0.00 ATOM 108 C ALA 14 -8.373 19.773 8.454 1.00 0.00 ATOM 109 N GLU 15 -8.888 19.421 7.278 1.00 0.00 ATOM 110 CA GLU 15 -8.889 18.019 6.854 1.00 0.00 ATOM 111 CB GLU 15 -10.267 17.621 6.322 1.00 0.00 ATOM 112 CG GLU 15 -11.376 17.691 7.360 1.00 0.00 ATOM 113 CD GLU 15 -12.732 17.319 6.791 1.00 0.00 ATOM 114 OE1 GLU 15 -12.805 17.022 5.579 1.00 0.00 ATOM 115 OE2 GLU 15 -13.719 17.326 7.555 1.00 0.00 ATOM 116 O GLU 15 -7.220 16.826 5.590 1.00 0.00 ATOM 117 C GLU 15 -7.835 17.876 5.750 1.00 0.00 ATOM 118 N GLY 16 -7.521 18.948 4.858 1.00 0.00 ATOM 119 CA GLY 16 -6.503 18.892 3.819 1.00 0.00 ATOM 120 O GLY 16 -5.960 21.144 4.360 1.00 0.00 ATOM 121 C GLY 16 -5.563 20.079 3.902 1.00 0.00 ATOM 122 N GLU 17 -4.326 19.921 3.448 1.00 0.00 ATOM 123 CA GLU 17 -3.368 21.030 3.500 1.00 0.00 ATOM 124 CB GLU 17 -2.475 20.924 4.739 1.00 0.00 ATOM 125 CG GLU 17 -3.225 21.029 6.056 1.00 0.00 ATOM 126 CD GLU 17 -2.311 20.905 7.258 1.00 0.00 ATOM 127 OE1 GLU 17 -1.090 20.727 7.061 1.00 0.00 ATOM 128 OE2 GLU 17 -2.815 20.986 8.398 1.00 0.00 ATOM 129 O GLU 17 -2.087 20.039 1.740 1.00 0.00 ATOM 130 C GLU 17 -2.417 21.077 2.312 1.00 0.00 ATOM 131 N ALA 18 -1.981 22.190 1.877 1.00 0.00 ATOM 132 CA ALA 18 -0.952 22.356 0.857 1.00 0.00 ATOM 133 CB ALA 18 -1.593 22.477 -0.526 1.00 0.00 ATOM 134 O ALA 18 -0.562 24.584 1.652 1.00 0.00 ATOM 135 C ALA 18 -0.058 23.549 1.224 1.00 0.00 ATOM 136 N LEU 19 1.247 23.363 1.078 1.00 0.00 ATOM 137 CA LEU 19 2.183 24.462 1.322 1.00 0.00 ATOM 138 CB LEU 19 3.135 24.125 2.416 1.00 0.00 ATOM 139 CG LEU 19 2.436 24.031 3.788 1.00 0.00 ATOM 140 CD1 LEU 19 3.414 23.556 4.808 1.00 0.00 ATOM 141 CD2 LEU 19 1.844 25.319 4.263 1.00 0.00 ATOM 142 O LEU 19 3.478 23.765 -0.580 1.00 0.00 ATOM 143 C LEU 19 2.936 24.709 0.015 1.00 0.00 ATOM 144 N VAL 20 2.885 25.947 -0.439 1.00 0.00 ATOM 145 CA VAL 20 3.560 26.310 -1.686 1.00 0.00 ATOM 146 CB VAL 20 2.680 27.226 -2.556 1.00 0.00 ATOM 147 CG1 VAL 20 3.414 27.618 -3.829 1.00 0.00 ATOM 148 CG2 VAL 20 1.392 26.516 -2.943 1.00 0.00 ATOM 149 O VAL 20 4.799 28.118 -0.750 1.00 0.00 ATOM 150 C VAL 20 4.835 27.042 -1.347 1.00 0.00 ATOM 151 N THR 21 6.033 26.268 -1.687 1.00 0.00 ATOM 152 CA THR 21 7.356 26.813 -1.409 1.00 0.00 ATOM 153 CB THR 21 8.309 25.746 -0.836 1.00 0.00 ATOM 154 CG2 THR 21 7.718 25.126 0.421 1.00 0.00 ATOM 155 OG1 THR 21 8.516 24.715 -1.810 1.00 0.00 ATOM 156 O THR 21 7.264 27.067 -3.804 1.00 0.00 ATOM 157 C THR 21 7.866 27.311 -2.761 1.00 0.00 ATOM 158 N LYS 22 8.993 28.003 -2.754 1.00 0.00 ATOM 159 CA LYS 22 9.534 28.482 -4.017 1.00 0.00 ATOM 160 CB LYS 22 10.781 29.336 -3.776 1.00 0.00 ATOM 161 CG LYS 22 10.497 30.684 -3.132 1.00 0.00 ATOM 162 CD LYS 22 11.776 31.478 -2.926 1.00 0.00 ATOM 163 CE LYS 22 11.493 32.814 -2.260 1.00 0.00 ATOM 164 NZ LYS 22 12.741 33.590 -2.019 1.00 0.00 ATOM 165 O LYS 22 9.765 27.420 -6.158 1.00 0.00 ATOM 166 C LYS 22 9.934 27.326 -4.947 1.00 0.00 ATOM 167 N GLU 23 10.447 26.244 -4.366 1.00 0.00 ATOM 168 CA GLU 23 10.948 25.104 -5.137 1.00 0.00 ATOM 169 CB GLU 23 12.233 24.558 -4.513 1.00 0.00 ATOM 170 CG GLU 23 13.390 25.544 -4.511 1.00 0.00 ATOM 171 CD GLU 23 14.632 24.984 -3.845 1.00 0.00 ATOM 172 OE1 GLU 23 14.579 23.832 -3.365 1.00 0.00 ATOM 173 OE2 GLU 23 15.657 25.697 -3.804 1.00 0.00 ATOM 174 O GLU 23 10.227 23.042 -6.070 1.00 0.00 ATOM 175 C GLU 23 10.012 23.926 -5.242 1.00 0.00 ATOM 176 N TYR 24 9.002 23.875 -4.408 1.00 0.00 ATOM 177 CA TYR 24 8.088 22.739 -4.365 1.00 0.00 ATOM 178 CB TYR 24 7.238 22.688 -5.636 1.00 0.00 ATOM 179 CG TYR 24 6.391 23.922 -5.858 1.00 0.00 ATOM 180 CD1 TYR 24 6.803 24.918 -6.733 1.00 0.00 ATOM 181 CD2 TYR 24 5.186 24.086 -5.190 1.00 0.00 ATOM 182 CE1 TYR 24 6.038 26.050 -6.943 1.00 0.00 ATOM 183 CE2 TYR 24 4.406 25.211 -5.386 1.00 0.00 ATOM 184 CZ TYR 24 4.843 26.196 -6.271 1.00 0.00 ATOM 185 OH TYR 24 4.078 27.321 -6.477 1.00 0.00 ATOM 186 O TYR 24 8.830 20.599 -5.191 1.00 0.00 ATOM 187 C TYR 24 8.809 21.396 -4.251 1.00 0.00 ATOM 188 N ILE 25 9.165 21.418 -2.783 1.00 0.00 ATOM 189 CA ILE 25 9.805 20.131 -2.566 1.00 0.00 ATOM 190 CB ILE 25 10.348 19.954 -1.169 1.00 0.00 ATOM 191 CG1 ILE 25 11.481 20.965 -0.979 1.00 0.00 ATOM 192 CG2 ILE 25 10.915 18.533 -0.978 1.00 0.00 ATOM 193 CD1 ILE 25 11.902 21.167 0.454 1.00 0.00 ATOM 194 O ILE 25 9.152 17.987 -3.454 1.00 0.00 ATOM 195 C ILE 25 8.811 19.000 -2.836 1.00 0.00 ATOM 196 N SER 26 7.593 19.124 -2.375 1.00 0.00 ATOM 197 CA SER 26 6.561 18.116 -2.583 1.00 0.00 ATOM 198 CB SER 26 5.358 18.399 -1.680 1.00 0.00 ATOM 199 OG SER 26 4.674 19.568 -2.093 1.00 0.00 ATOM 200 O SER 26 5.419 17.123 -4.455 1.00 0.00 ATOM 201 C SER 26 6.080 18.072 -4.037 1.00 0.00 ATOM 202 N PHE 27 6.261 19.199 -4.875 1.00 0.00 ATOM 203 CA PHE 27 5.810 19.325 -6.249 1.00 0.00 ATOM 204 CB PHE 27 5.174 18.017 -6.726 1.00 0.00 ATOM 205 CG PHE 27 6.145 16.878 -6.839 1.00 0.00 ATOM 206 CD1 PHE 27 6.263 15.946 -5.822 1.00 0.00 ATOM 207 CD2 PHE 27 6.942 16.737 -7.962 1.00 0.00 ATOM 208 CE1 PHE 27 7.157 14.896 -5.927 1.00 0.00 ATOM 209 CE2 PHE 27 7.835 15.687 -8.066 1.00 0.00 ATOM 210 CZ PHE 27 7.945 14.770 -7.055 1.00 0.00 ATOM 211 O PHE 27 4.950 21.486 -5.713 1.00 0.00 ATOM 212 C PHE 27 4.779 20.434 -6.360 1.00 0.00 ATOM 213 N LEU 28 3.706 20.201 -7.120 1.00 0.00 ATOM 214 CA LEU 28 2.676 21.220 -7.304 1.00 0.00 ATOM 215 CB LEU 28 2.442 21.483 -8.794 1.00 0.00 ATOM 216 CG LEU 28 1.386 22.533 -9.140 1.00 0.00 ATOM 217 CD1 LEU 28 1.835 23.915 -8.692 1.00 0.00 ATOM 218 CD2 LEU 28 1.140 22.575 -10.639 1.00 0.00 ATOM 219 O LEU 28 0.925 19.648 -6.820 1.00 0.00 ATOM 220 C LEU 28 1.359 20.804 -6.681 1.00 0.00 ATOM 221 N GLY 29 0.711 21.740 -5.956 1.00 0.00 ATOM 222 CA GLY 29 -0.621 21.540 -5.432 1.00 0.00 ATOM 223 O GLY 29 -1.107 23.838 -5.755 1.00 0.00 ATOM 224 C GLY 29 -1.498 22.658 -5.890 1.00 0.00 ATOM 225 N GLY 30 -2.661 22.369 -6.472 1.00 0.00 ATOM 226 CA GLY 30 -3.678 23.342 -6.869 1.00 0.00 ATOM 227 O GLY 30 -5.380 22.361 -5.484 1.00 0.00 ATOM 228 C GLY 30 -4.696 23.386 -5.730 1.00 0.00 ATOM 229 N ILE 31 -4.799 24.535 -5.056 1.00 0.00 ATOM 230 CA ILE 31 -5.702 24.647 -3.938 1.00 0.00 ATOM 231 CB ILE 31 -4.942 25.070 -2.658 1.00 0.00 ATOM 232 CG1 ILE 31 -3.796 24.087 -2.397 1.00 0.00 ATOM 233 CG2 ILE 31 -5.889 25.118 -1.465 1.00 0.00 ATOM 234 CD1 ILE 31 -2.924 24.434 -1.206 1.00 0.00 ATOM 235 O ILE 31 -6.529 26.781 -4.688 1.00 0.00 ATOM 236 C ILE 31 -6.801 25.685 -4.182 1.00 0.00 ATOM 237 N ASP 32 -8.029 25.370 -3.766 1.00 0.00 ATOM 238 CA ASP 32 -9.129 26.307 -3.928 1.00 0.00 ATOM 239 CB ASP 32 -10.466 25.620 -3.645 1.00 0.00 ATOM 240 CG ASP 32 -11.654 26.522 -3.912 1.00 0.00 ATOM 241 OD1 ASP 32 -11.436 27.698 -4.276 1.00 0.00 ATOM 242 OD2 ASP 32 -12.803 26.055 -3.760 1.00 0.00 ATOM 243 O ASP 32 -8.671 27.169 -1.764 1.00 0.00 ATOM 244 C ASP 32 -8.896 27.424 -2.941 1.00 0.00 ATOM 245 N LYS 33 -8.877 28.637 -3.324 1.00 0.00 ATOM 246 CA LYS 33 -8.633 29.745 -2.412 1.00 0.00 ATOM 247 CB LYS 33 -8.557 31.066 -3.181 1.00 0.00 ATOM 248 CG LYS 33 -7.314 31.209 -4.044 1.00 0.00 ATOM 249 CD LYS 33 -7.304 32.538 -4.782 1.00 0.00 ATOM 250 CE LYS 33 -6.062 32.681 -5.646 1.00 0.00 ATOM 251 NZ LYS 33 -6.053 33.968 -6.397 1.00 0.00 ATOM 252 O LYS 33 -9.445 30.272 -0.209 1.00 0.00 ATOM 253 C LYS 33 -9.723 29.902 -1.350 1.00 0.00 ATOM 254 N GLU 34 -10.964 29.624 -1.720 1.00 0.00 ATOM 255 CA GLU 34 -12.082 29.767 -0.790 1.00 0.00 ATOM 256 CB GLU 34 -13.413 29.696 -1.542 1.00 0.00 ATOM 257 CG GLU 34 -13.690 30.898 -2.430 1.00 0.00 ATOM 258 CD GLU 34 -14.944 30.729 -3.263 1.00 0.00 ATOM 259 OE1 GLU 34 -15.558 29.643 -3.200 1.00 0.00 ATOM 260 OE2 GLU 34 -15.313 31.682 -3.981 1.00 0.00 ATOM 261 O GLU 34 -12.264 29.018 1.482 1.00 0.00 ATOM 262 C GLU 34 -12.136 28.693 0.303 1.00 0.00 ATOM 263 N THR 35 -12.031 27.421 -0.083 1.00 0.00 ATOM 264 CA THR 35 -12.114 26.320 0.877 1.00 0.00 ATOM 265 CB THR 35 -12.809 25.090 0.262 1.00 0.00 ATOM 266 CG2 THR 35 -14.221 25.442 -0.179 1.00 0.00 ATOM 267 OG1 THR 35 -12.066 24.638 -0.875 1.00 0.00 ATOM 268 O THR 35 -10.811 25.254 2.571 1.00 0.00 ATOM 269 C THR 35 -10.820 25.786 1.458 1.00 0.00 ATOM 270 N GLY 36 -9.726 25.902 0.702 1.00 0.00 ATOM 271 CA GLY 36 -8.457 25.372 1.156 1.00 0.00 ATOM 272 O GLY 36 -7.364 23.245 1.054 1.00 0.00 ATOM 273 C GLY 36 -8.324 23.926 0.693 1.00 0.00 ATOM 274 N ILE 37 -9.273 23.382 -0.042 1.00 0.00 ATOM 275 CA ILE 37 -9.234 21.978 -0.418 1.00 0.00 ATOM 276 CB ILE 37 -10.587 21.557 -1.019 1.00 0.00 ATOM 277 CG1 ILE 37 -11.675 21.564 0.058 1.00 0.00 ATOM 278 CG2 ILE 37 -10.497 20.154 -1.603 1.00 0.00 ATOM 279 CD1 ILE 37 -13.077 21.413 -0.490 1.00 0.00 ATOM 280 O ILE 37 -8.045 22.627 -2.408 1.00 0.00 ATOM 281 C ILE 37 -8.165 21.798 -1.497 1.00 0.00 ATOM 282 N VAL 38 -7.389 20.725 -1.404 1.00 0.00 ATOM 283 CA VAL 38 -6.374 20.468 -2.418 1.00 0.00 ATOM 284 CB VAL 38 -5.265 19.540 -1.884 1.00 0.00 ATOM 285 CG1 VAL 38 -4.249 19.244 -2.977 1.00 0.00 ATOM 286 CG2 VAL 38 -4.541 20.193 -0.717 1.00 0.00 ATOM 287 O VAL 38 -7.513 18.641 -3.495 1.00 0.00 ATOM 288 C VAL 38 -7.097 19.805 -3.584 1.00 0.00 ATOM 289 N LYS 39 -7.248 20.562 -4.670 1.00 0.00 ATOM 290 CA LYS 39 -7.947 20.122 -5.877 1.00 0.00 ATOM 291 CB LYS 39 -8.274 21.317 -6.773 1.00 0.00 ATOM 292 CG LYS 39 -9.321 22.257 -6.199 1.00 0.00 ATOM 293 CD LYS 39 -9.639 23.388 -7.164 1.00 0.00 ATOM 294 CE LYS 39 -10.671 24.337 -6.581 1.00 0.00 ATOM 295 NZ LYS 39 -10.982 25.458 -7.510 1.00 0.00 ATOM 296 O LYS 39 -7.665 18.160 -7.233 1.00 0.00 ATOM 297 C LYS 39 -7.133 19.142 -6.723 1.00 0.00 ATOM 298 N GLU 40 -5.846 19.425 -6.885 1.00 0.00 ATOM 299 CA GLU 40 -4.962 18.574 -7.681 1.00 0.00 ATOM 300 CB GLU 40 -4.877 19.081 -9.123 1.00 0.00 ATOM 301 CG GLU 40 -4.261 20.465 -9.257 1.00 0.00 ATOM 302 CD GLU 40 -4.289 20.977 -10.684 1.00 0.00 ATOM 303 OE1 GLU 40 -4.773 20.243 -11.570 1.00 0.00 ATOM 304 OE2 GLU 40 -3.824 22.114 -10.915 1.00 0.00 ATOM 305 O GLU 40 -3.159 19.580 -6.470 1.00 0.00 ATOM 306 C GLU 40 -3.569 18.583 -7.070 1.00 0.00 ATOM 307 N ASP 41 -2.851 17.476 -7.212 1.00 0.00 ATOM 308 CA ASP 41 -1.475 17.396 -6.733 1.00 0.00 ATOM 309 CB ASP 41 -1.412 16.632 -5.408 1.00 0.00 ATOM 310 CG ASP 41 -0.017 16.604 -4.816 1.00 0.00 ATOM 311 OD1 ASP 41 0.928 17.049 -5.503 1.00 0.00 ATOM 312 OD2 ASP 41 0.132 16.139 -3.668 1.00 0.00 ATOM 313 O ASP 41 -0.983 15.517 -8.124 1.00 0.00 ATOM 314 C ASP 41 -0.690 16.668 -7.805 1.00 0.00 ATOM 315 N CYS 42 0.314 17.337 -8.356 1.00 0.00 ATOM 316 CA CYS 42 1.114 16.759 -9.422 1.00 0.00 ATOM 317 CB CYS 42 1.043 17.628 -10.679 1.00 0.00 ATOM 318 SG CYS 42 -0.617 17.799 -11.377 1.00 0.00 ATOM 319 O CYS 42 3.275 17.641 -8.864 1.00 0.00 ATOM 320 C CYS 42 2.575 16.634 -9.015 1.00 0.00 ATOM 321 N GLU 43 3.034 15.387 -8.832 1.00 0.00 ATOM 322 CA GLU 43 4.426 15.134 -8.439 1.00 0.00 ATOM 323 CB GLU 43 4.614 13.679 -8.034 1.00 0.00 ATOM 324 CG GLU 43 3.869 13.422 -6.720 1.00 0.00 ATOM 325 CD GLU 43 3.787 12.027 -6.255 1.00 0.00 ATOM 326 OE1 GLU 43 3.197 11.886 -5.169 1.00 0.00 ATOM 327 OE2 GLU 43 4.189 11.133 -6.994 1.00 0.00 ATOM 328 O GLU 43 6.417 16.019 -9.436 1.00 0.00 ATOM 329 C GLU 43 5.318 15.481 -9.630 1.00 0.00 ATOM 330 N ILE 44 4.861 15.158 -10.852 1.00 0.00 ATOM 331 CA ILE 44 5.620 15.443 -12.072 1.00 0.00 ATOM 332 CB ILE 44 4.914 14.850 -13.306 1.00 0.00 ATOM 333 CG1 ILE 44 4.927 13.323 -13.247 1.00 0.00 ATOM 334 CG2 ILE 44 5.616 15.289 -14.583 1.00 0.00 ATOM 335 CD1 ILE 44 4.035 12.662 -14.275 1.00 0.00 ATOM 336 O ILE 44 6.942 17.396 -12.628 1.00 0.00 ATOM 337 C ILE 44 5.850 16.940 -12.257 1.00 0.00 ATOM 338 N LYS 45 4.717 17.611 -11.812 1.00 0.00 ATOM 339 CA LYS 45 4.705 19.053 -11.974 1.00 0.00 ATOM 340 CB LYS 45 3.419 19.673 -11.421 1.00 0.00 ATOM 341 CG LYS 45 3.336 21.182 -11.587 1.00 0.00 ATOM 342 CD LYS 45 3.231 21.571 -13.054 1.00 0.00 ATOM 343 CE LYS 45 3.098 23.076 -13.216 1.00 0.00 ATOM 344 NZ LYS 45 3.014 23.474 -14.649 1.00 0.00 ATOM 345 O LYS 45 6.091 19.430 -10.051 1.00 0.00 ATOM 346 C LYS 45 5.862 19.712 -11.220 1.00 0.00 ATOM 347 N GLY 46 6.584 20.583 -11.913 1.00 0.00 ATOM 348 CA GLY 46 7.695 21.296 -11.316 1.00 0.00 ATOM 349 O GLY 46 9.808 20.892 -10.314 1.00 0.00 ATOM 350 C GLY 46 8.872 20.424 -10.955 1.00 0.00 ATOM 351 N GLU 47 8.870 19.173 -11.409 1.00 0.00 ATOM 352 CA GLU 47 9.973 18.289 -11.100 1.00 0.00 ATOM 353 CB GLU 47 9.599 17.778 -9.579 1.00 0.00 ATOM 354 CG GLU 47 10.110 18.599 -8.411 1.00 0.00 ATOM 355 CD GLU 47 10.204 17.807 -7.120 1.00 0.00 ATOM 356 OE1 GLU 47 10.818 16.719 -7.121 1.00 0.00 ATOM 357 OE2 GLU 47 9.665 18.268 -6.089 1.00 0.00 ATOM 358 O GLU 47 11.632 16.865 -12.118 1.00 0.00 ATOM 359 C GLU 47 10.751 17.718 -12.289 1.00 0.00 ATOM 360 N SER 48 10.454 18.096 -13.442 1.00 0.00 ATOM 361 CA SER 48 11.014 17.571 -14.693 1.00 0.00 ATOM 362 CB SER 48 10.274 18.068 -15.937 1.00 0.00 ATOM 363 OG SER 48 10.466 19.460 -16.121 1.00 0.00 ATOM 364 O SER 48 13.176 17.346 -15.711 1.00 0.00 ATOM 365 C SER 48 12.489 17.941 -14.872 1.00 0.00 ATOM 366 N VAL 49 12.550 19.312 -14.314 1.00 0.00 ATOM 367 CA VAL 49 13.932 19.824 -14.377 1.00 0.00 ATOM 368 CB VAL 49 14.104 21.090 -13.519 1.00 0.00 ATOM 369 CG1 VAL 49 15.553 21.553 -13.536 1.00 0.00 ATOM 370 CG2 VAL 49 13.233 22.218 -14.051 1.00 0.00 ATOM 371 O VAL 49 14.895 18.330 -12.797 1.00 0.00 ATOM 372 C VAL 49 14.988 18.849 -13.898 1.00 0.00 ATOM 373 N ALA 50 15.986 18.589 -14.762 1.00 0.00 ATOM 374 CA ALA 50 17.138 17.806 -14.318 1.00 0.00 ATOM 375 CB ALA 50 18.211 17.789 -15.397 1.00 0.00 ATOM 376 O ALA 50 17.721 19.669 -12.945 1.00 0.00 ATOM 377 C ALA 50 17.689 18.452 -13.049 1.00 0.00 ATOM 378 N GLY 51 18.088 17.635 -12.083 1.00 0.00 ATOM 379 CA GLY 51 18.615 18.163 -10.839 1.00 0.00 ATOM 380 O GLY 51 17.915 18.145 -8.553 1.00 0.00 ATOM 381 C GLY 51 17.570 18.123 -9.733 1.00 0.00 ATOM 382 N ARG 52 16.195 18.169 -10.159 1.00 0.00 ATOM 383 CA ARG 52 15.129 18.089 -9.164 1.00 0.00 ATOM 384 CB ARG 52 13.766 18.334 -9.817 1.00 0.00 ATOM 385 CG ARG 52 13.578 19.747 -10.344 1.00 0.00 ATOM 386 CD ARG 52 13.352 20.733 -9.211 1.00 0.00 ATOM 387 NE ARG 52 13.197 22.102 -9.699 1.00 0.00 ATOM 388 CZ ARG 52 13.047 23.163 -8.913 1.00 0.00 ATOM 389 NH1 ARG 52 12.913 24.370 -9.446 1.00 0.00 ATOM 390 NH2 ARG 52 13.029 23.015 -7.595 1.00 0.00 ATOM 391 O ARG 52 15.330 15.698 -9.140 1.00 0.00 ATOM 392 C ARG 52 15.090 16.718 -8.498 1.00 0.00 ATOM 393 N ILE 53 14.810 16.708 -7.197 1.00 0.00 ATOM 394 CA ILE 53 14.679 15.459 -6.452 1.00 0.00 ATOM 395 CB ILE 53 15.155 15.607 -4.982 1.00 0.00 ATOM 396 CG1 ILE 53 16.586 16.164 -4.920 1.00 0.00 ATOM 397 CG2 ILE 53 15.010 14.288 -4.305 1.00 0.00 ATOM 398 CD1 ILE 53 17.147 16.365 -3.540 1.00 0.00 ATOM 399 O ILE 53 12.360 15.885 -6.044 1.00 0.00 ATOM 400 C ILE 53 13.201 15.169 -6.603 1.00 0.00 ATOM 401 N LEU 54 12.844 14.161 -7.445 1.00 0.00 ATOM 402 CA LEU 54 11.458 13.812 -7.656 1.00 0.00 ATOM 403 CB LEU 54 11.237 13.239 -9.076 1.00 0.00 ATOM 404 CG LEU 54 10.943 14.281 -10.157 1.00 0.00 ATOM 405 CD1 LEU 54 12.124 15.234 -10.247 1.00 0.00 ATOM 406 CD2 LEU 54 10.696 13.600 -11.495 1.00 0.00 ATOM 407 O LEU 54 11.770 11.697 -6.581 1.00 0.00 ATOM 408 C LEU 54 11.077 12.705 -6.679 1.00 0.00 ATOM 409 N VAL 55 9.977 12.898 -5.956 1.00 0.00 ATOM 410 CA VAL 55 9.528 11.906 -4.980 1.00 0.00 ATOM 411 CB VAL 55 9.378 12.521 -3.577 1.00 0.00 ATOM 412 CG1 VAL 55 8.867 11.481 -2.591 1.00 0.00 ATOM 413 CG2 VAL 55 10.716 13.041 -3.077 1.00 0.00 ATOM 414 O VAL 55 7.226 12.108 -5.635 1.00 0.00 ATOM 415 C VAL 55 8.174 11.346 -5.419 1.00 0.00 ATOM 416 N PHE 56 8.107 10.039 -5.516 1.00 0.00 ATOM 417 CA PHE 56 6.880 9.361 -5.949 1.00 0.00 ATOM 418 CB PHE 56 7.176 8.688 -7.333 1.00 0.00 ATOM 419 CG PHE 56 7.205 9.622 -8.508 1.00 0.00 ATOM 420 CD1 PHE 56 7.857 10.850 -8.428 1.00 0.00 ATOM 421 CD2 PHE 56 6.561 9.284 -9.693 1.00 0.00 ATOM 422 CE1 PHE 56 7.859 11.727 -9.511 1.00 0.00 ATOM 423 CE2 PHE 56 6.558 10.155 -10.781 1.00 0.00 ATOM 424 CZ PHE 56 7.207 11.377 -10.690 1.00 0.00 ATOM 425 O PHE 56 6.819 7.918 -4.044 1.00 0.00 ATOM 426 C PHE 56 6.174 8.552 -4.867 1.00 0.00 ATOM 427 N PRO 57 4.668 8.606 -4.548 1.00 0.00 ATOM 428 CA PRO 57 4.052 7.537 -3.761 1.00 0.00 ATOM 429 CB PRO 57 4.164 8.029 -2.317 1.00 0.00 ATOM 430 CG PRO 57 4.190 9.517 -2.431 1.00 0.00 ATOM 431 CD PRO 57 4.931 9.825 -3.701 1.00 0.00 ATOM 432 O PRO 57 2.202 8.322 -5.067 1.00 0.00 ATOM 433 C PRO 57 2.633 7.457 -4.311 1.00 0.00 ATOM 434 N GLY 58 1.993 6.356 -4.174 1.00 0.00 ATOM 435 CA GLY 58 0.728 5.981 -4.780 1.00 0.00 ATOM 436 O GLY 58 0.679 4.325 -3.054 1.00 0.00 ATOM 437 C GLY 58 0.093 4.845 -4.003 1.00 0.00 ATOM 438 N GLY 59 -1.093 4.432 -4.436 1.00 0.00 ATOM 439 CA GLY 59 -1.799 3.341 -3.777 1.00 0.00 ATOM 440 O GLY 59 -0.222 1.925 -4.889 1.00 0.00 ATOM 441 C GLY 59 -1.250 1.996 -4.216 1.00 0.00 ATOM 442 N LYS 60 -1.857 0.905 -3.775 1.00 0.00 ATOM 443 CA LYS 60 -1.441 -0.444 -4.138 1.00 0.00 ATOM 444 CB LYS 60 -1.961 -0.843 -5.517 1.00 0.00 ATOM 445 CG LYS 60 -3.478 -0.777 -5.640 1.00 0.00 ATOM 446 CD LYS 60 -4.205 -1.707 -4.648 1.00 0.00 ATOM 447 CE LYS 60 -5.710 -1.539 -4.727 1.00 0.00 ATOM 448 NZ LYS 60 -6.233 -1.965 -6.035 1.00 0.00 ATOM 449 O LYS 60 0.642 -1.420 -4.841 1.00 0.00 ATOM 450 C LYS 60 0.033 -0.807 -3.960 1.00 0.00 ATOM 451 N GLY 61 0.642 -0.489 -2.746 1.00 0.00 ATOM 452 CA GLY 61 2.026 -0.844 -2.480 1.00 0.00 ATOM 453 O GLY 61 3.985 -0.798 -3.834 1.00 0.00 ATOM 454 C GLY 61 2.968 -0.199 -3.477 1.00 0.00 ATOM 455 N SER 62 2.636 0.985 -3.953 1.00 0.00 ATOM 456 CA SER 62 3.426 1.725 -4.952 1.00 0.00 ATOM 457 CB SER 62 4.876 1.846 -4.480 1.00 0.00 ATOM 458 OG SER 62 4.956 2.542 -3.248 1.00 0.00 ATOM 459 O SER 62 4.409 1.353 -7.105 1.00 0.00 ATOM 460 C SER 62 3.483 1.101 -6.337 1.00 0.00 ATOM 461 N THR 63 2.475 0.303 -6.660 1.00 0.00 ATOM 462 CA THR 63 2.403 -0.357 -7.954 1.00 0.00 ATOM 463 CB THR 63 1.046 -1.059 -8.153 1.00 0.00 ATOM 464 CG2 THR 63 0.991 -1.732 -9.516 1.00 0.00 ATOM 465 OG1 THR 63 0.865 -2.053 -7.138 1.00 0.00 ATOM 466 O THR 63 3.478 0.515 -9.931 1.00 0.00 ATOM 467 C THR 63 2.573 0.650 -9.098 1.00 0.00 ATOM 468 N VAL 64 1.721 1.673 -9.130 1.00 0.00 ATOM 469 CA VAL 64 1.784 2.688 -10.173 1.00 0.00 ATOM 470 CB VAL 64 0.493 3.526 -10.225 1.00 0.00 ATOM 471 CG1 VAL 64 0.654 4.691 -11.189 1.00 0.00 ATOM 472 CG2 VAL 64 -0.678 2.674 -10.693 1.00 0.00 ATOM 473 O VAL 64 3.608 4.011 -10.936 1.00 0.00 ATOM 474 C VAL 64 2.961 3.604 -9.947 1.00 0.00 ATOM 475 N GLY 65 3.247 3.917 -8.725 1.00 0.00 ATOM 476 CA GLY 65 4.390 4.787 -8.477 1.00 0.00 ATOM 477 O GLY 65 6.533 4.894 -9.536 1.00 0.00 ATOM 478 C GLY 65 5.684 4.175 -9.012 1.00 0.00 ATOM 479 N SER 66 5.833 2.809 -8.942 1.00 0.00 ATOM 480 CA SER 66 7.041 2.179 -9.490 1.00 0.00 ATOM 481 CB SER 66 7.052 0.695 -9.118 1.00 0.00 ATOM 482 OG SER 66 7.119 0.521 -7.714 1.00 0.00 ATOM 483 O SER 66 8.165 2.391 -11.605 1.00 0.00 ATOM 484 C SER 66 7.091 2.316 -11.002 1.00 0.00 ATOM 485 N TYR 67 5.911 2.314 -11.605 1.00 0.00 ATOM 486 CA TYR 67 5.765 2.475 -13.034 1.00 0.00 ATOM 487 CB TYR 67 4.341 2.471 -13.483 1.00 0.00 ATOM 488 CG TYR 67 3.679 1.122 -13.394 1.00 0.00 ATOM 489 CD1 TYR 67 4.101 0.061 -14.194 1.00 0.00 ATOM 490 CD2 TYR 67 2.579 0.926 -12.562 1.00 0.00 ATOM 491 CE1 TYR 67 3.431 -1.163 -14.171 1.00 0.00 ATOM 492 CE2 TYR 67 1.906 -0.285 -12.531 1.00 0.00 ATOM 493 CZ TYR 67 2.333 -1.322 -13.339 1.00 0.00 ATOM 494 OH TYR 67 1.634 -2.502 -13.341 1.00 0.00 ATOM 495 O TYR 67 6.993 4.055 -14.367 1.00 0.00 ATOM 496 C TYR 67 6.252 3.877 -13.400 1.00 0.00 ATOM 497 N VAL 68 5.846 4.875 -12.621 1.00 0.00 ATOM 498 CA VAL 68 6.297 6.236 -12.890 1.00 0.00 ATOM 499 CB VAL 68 5.452 7.235 -12.043 1.00 0.00 ATOM 500 CG1 VAL 68 6.022 8.642 -12.201 1.00 0.00 ATOM 501 CG2 VAL 68 3.976 7.225 -12.359 1.00 0.00 ATOM 502 O VAL 68 8.511 6.989 -13.449 1.00 0.00 ATOM 503 C VAL 68 7.812 6.306 -12.698 1.00 0.00 ATOM 504 N LEU 69 8.323 5.594 -11.687 1.00 0.00 ATOM 505 CA LEU 69 9.767 5.558 -11.462 1.00 0.00 ATOM 506 CB LEU 69 10.103 4.607 -10.311 1.00 0.00 ATOM 507 CG LEU 69 11.585 4.471 -9.955 1.00 0.00 ATOM 508 CD1 LEU 69 12.155 5.808 -9.507 1.00 0.00 ATOM 509 CD2 LEU 69 11.776 3.468 -8.828 1.00 0.00 ATOM 510 O LEU 69 11.462 5.601 -13.179 1.00 0.00 ATOM 511 C LEU 69 10.467 5.030 -12.723 1.00 0.00 ATOM 512 N LEU 70 9.921 3.960 -13.299 1.00 0.00 ATOM 513 CA LEU 70 10.535 3.397 -14.499 1.00 0.00 ATOM 514 CB LEU 70 9.748 2.154 -14.920 1.00 0.00 ATOM 515 CG LEU 70 9.903 0.921 -14.028 1.00 0.00 ATOM 516 CD1 LEU 70 8.936 -0.174 -14.452 1.00 0.00 ATOM 517 CD2 LEU 70 11.317 0.366 -14.118 1.00 0.00 ATOM 518 O LEU 70 11.459 4.543 -16.389 1.00 0.00 ATOM 519 C LEU 70 10.484 4.389 -15.650 1.00 0.00 ATOM 520 N ASN 71 9.352 5.066 -15.807 1.00 0.00 ATOM 521 CA ASN 71 9.214 6.013 -16.905 1.00 0.00 ATOM 522 CB ASN 71 7.738 6.425 -17.049 1.00 0.00 ATOM 523 CG ASN 71 6.892 5.310 -17.637 1.00 0.00 ATOM 524 ND2 ASN 71 5.602 5.369 -17.345 1.00 0.00 ATOM 525 OD1 ASN 71 7.408 4.438 -18.374 1.00 0.00 ATOM 526 O ASN 71 10.654 7.740 -17.691 1.00 0.00 ATOM 527 C ASN 71 10.097 7.229 -16.718 1.00 0.00 ATOM 528 N LEU 72 10.293 7.708 -15.500 1.00 0.00 ATOM 529 CA LEU 72 11.227 8.810 -15.281 1.00 0.00 ATOM 530 CB LEU 72 11.119 9.294 -13.826 1.00 0.00 ATOM 531 CG LEU 72 9.822 9.994 -13.408 1.00 0.00 ATOM 532 CD1 LEU 72 9.875 10.266 -11.904 1.00 0.00 ATOM 533 CD2 LEU 72 9.657 11.298 -14.177 1.00 0.00 ATOM 534 O LEU 72 13.426 9.219 -16.159 1.00 0.00 ATOM 535 C LEU 72 12.665 8.443 -15.599 1.00 0.00 ATOM 536 N ARG 73 13.042 7.204 -15.229 1.00 0.00 ATOM 537 CA ARG 73 14.364 6.682 -15.569 1.00 0.00 ATOM 538 CB ARG 73 14.649 5.434 -14.700 1.00 0.00 ATOM 539 CG ARG 73 16.091 4.938 -14.753 1.00 0.00 ATOM 540 CD ARG 73 16.251 3.698 -13.886 1.00 0.00 ATOM 541 NE ARG 73 17.642 3.400 -13.552 1.00 0.00 ATOM 542 CZ ARG 73 18.367 2.427 -14.102 1.00 0.00 ATOM 543 NH1 ARG 73 17.839 1.640 -15.031 1.00 0.00 ATOM 544 NH2 ARG 73 19.613 2.220 -13.695 1.00 0.00 ATOM 545 O ARG 73 15.534 6.680 -17.674 1.00 0.00 ATOM 546 C ARG 73 14.476 6.461 -17.086 1.00 0.00 ATOM 547 N LYS 74 13.404 6.046 -17.724 1.00 0.00 ATOM 548 CA LYS 74 13.417 5.876 -19.165 1.00 0.00 ATOM 549 CB LYS 74 12.067 5.339 -19.646 1.00 0.00 ATOM 550 CG LYS 74 11.748 3.936 -19.159 1.00 0.00 ATOM 551 CD LYS 74 10.383 3.478 -19.648 1.00 0.00 ATOM 552 CE LYS 74 10.078 2.062 -19.189 1.00 0.00 ATOM 553 NZ LYS 74 8.738 1.606 -19.648 1.00 0.00 ATOM 554 O LYS 74 14.224 7.244 -20.968 1.00 0.00 ATOM 555 C LYS 74 13.719 7.209 -19.846 1.00 0.00 ATOM 556 N ASN 75 13.403 8.307 -19.168 1.00 0.00 ATOM 557 CA ASN 75 13.638 9.646 -19.692 1.00 0.00 ATOM 558 CB ASN 75 12.486 10.579 -19.315 1.00 0.00 ATOM 559 CG ASN 75 11.193 10.223 -20.023 1.00 0.00 ATOM 560 ND2 ASN 75 10.068 10.520 -19.382 1.00 0.00 ATOM 561 OD1 ASN 75 11.209 9.690 -21.132 1.00 0.00 ATOM 562 O ASN 75 15.269 11.364 -19.369 1.00 0.00 ATOM 563 C ASN 75 14.942 10.216 -19.118 1.00 0.00 ATOM 564 N GLY 76 15.672 9.445 -18.312 1.00 0.00 ATOM 565 CA GLY 76 16.970 9.918 -17.818 1.00 0.00 ATOM 566 O GLY 76 18.005 11.363 -16.244 1.00 0.00 ATOM 567 C GLY 76 16.968 10.788 -16.576 1.00 0.00 ATOM 568 N VAL 77 15.843 10.899 -15.876 1.00 0.00 ATOM 569 CA VAL 77 15.827 11.729 -14.676 1.00 0.00 ATOM 570 CB VAL 77 14.416 11.809 -14.064 1.00 0.00 ATOM 571 CG1 VAL 77 14.444 12.598 -12.762 1.00 0.00 ATOM 572 CG2 VAL 77 13.458 12.500 -15.023 1.00 0.00 ATOM 573 O VAL 77 17.017 9.941 -13.584 1.00 0.00 ATOM 574 C VAL 77 16.897 11.161 -13.735 1.00 0.00 ATOM 575 N ALA 78 17.861 11.909 -12.995 1.00 0.00 ATOM 576 CA ALA 78 18.962 11.458 -12.149 1.00 0.00 ATOM 577 CB ALA 78 20.076 12.484 -12.006 1.00 0.00 ATOM 578 O ALA 78 18.918 10.183 -10.127 1.00 0.00 ATOM 579 C ALA 78 18.518 11.186 -10.716 1.00 0.00 ATOM 580 N PRO 79 17.701 12.063 -10.153 1.00 0.00 ATOM 581 CA PRO 79 17.260 11.861 -8.780 1.00 0.00 ATOM 582 CB PRO 79 17.659 13.156 -8.069 1.00 0.00 ATOM 583 CG PRO 79 17.660 14.188 -9.145 1.00 0.00 ATOM 584 CD PRO 79 18.122 13.490 -10.394 1.00 0.00 ATOM 585 O PRO 79 14.976 12.570 -8.580 1.00 0.00 ATOM 586 C PRO 79 15.764 11.624 -8.649 1.00 0.00 ATOM 587 N LYS 80 15.380 10.353 -8.651 1.00 0.00 ATOM 588 CA LYS 80 13.989 9.952 -8.494 1.00 0.00 ATOM 589 CB LYS 80 13.487 9.251 -9.759 1.00 0.00 ATOM 590 CG LYS 80 13.461 10.139 -10.993 1.00 0.00 ATOM 591 CD LYS 80 12.917 9.392 -12.200 1.00 0.00 ATOM 592 CE LYS 80 13.880 8.310 -12.657 1.00 0.00 ATOM 593 NZ LYS 80 15.198 8.873 -13.063 1.00 0.00 ATOM 594 O LYS 80 14.826 8.136 -7.175 1.00 0.00 ATOM 595 C LYS 80 13.960 9.006 -7.305 1.00 0.00 ATOM 596 N ALA 81 12.982 9.182 -6.420 1.00 0.00 ATOM 597 CA ALA 81 12.885 8.316 -5.254 1.00 0.00 ATOM 598 CB ALA 81 13.344 9.052 -4.005 1.00 0.00 ATOM 599 O ALA 81 10.504 8.568 -5.412 1.00 0.00 ATOM 600 C ALA 81 11.450 7.862 -5.045 1.00 0.00 ATOM 601 N ILE 82 11.301 6.693 -4.428 1.00 0.00 ATOM 602 CA ILE 82 9.992 6.095 -4.166 1.00 0.00 ATOM 603 CB ILE 82 9.911 4.656 -4.708 1.00 0.00 ATOM 604 CG1 ILE 82 10.227 4.631 -6.204 1.00 0.00 ATOM 605 CG2 ILE 82 8.516 4.086 -4.500 1.00 0.00 ATOM 606 CD1 ILE 82 9.280 5.460 -7.042 1.00 0.00 ATOM 607 O ILE 82 10.604 5.626 -1.900 1.00 0.00 ATOM 608 C ILE 82 9.744 6.061 -2.657 1.00 0.00 ATOM 609 N ILE 83 8.572 6.492 -2.212 1.00 0.00 ATOM 610 CA ILE 83 8.272 6.508 -0.786 1.00 0.00 ATOM 611 CB ILE 83 8.010 7.932 -0.325 1.00 0.00 ATOM 612 CG1 ILE 83 9.109 8.914 -0.791 1.00 0.00 ATOM 613 CG2 ILE 83 7.829 7.946 1.244 1.00 0.00 ATOM 614 CD1 ILE 83 10.350 8.877 -0.021 1.00 0.00 ATOM 615 O ILE 83 6.077 5.663 -1.230 1.00 0.00 ATOM 616 C ILE 83 7.141 5.505 -0.624 1.00 0.00 ATOM 617 N ASN 84 7.352 4.483 0.192 1.00 0.00 ATOM 618 CA ASN 84 6.324 3.465 0.376 1.00 0.00 ATOM 619 CB ASN 84 6.574 2.277 -0.554 1.00 0.00 ATOM 620 CG ASN 84 7.880 1.568 -0.255 1.00 0.00 ATOM 621 ND2 ASN 84 8.194 0.550 -1.050 1.00 0.00 ATOM 622 OD1 ASN 84 8.597 1.933 0.677 1.00 0.00 ATOM 623 O ASN 84 7.230 3.187 2.573 1.00 0.00 ATOM 624 C ASN 84 6.297 2.956 1.805 1.00 0.00 ATOM 625 N LYS 85 5.225 2.275 2.168 1.00 0.00 ATOM 626 CA LYS 85 5.127 1.744 3.521 1.00 0.00 ATOM 627 CB LYS 85 3.690 1.320 3.830 1.00 0.00 ATOM 628 CG LYS 85 2.720 2.480 3.985 1.00 0.00 ATOM 629 CD LYS 85 1.313 1.988 4.285 1.00 0.00 ATOM 630 CE LYS 85 0.344 3.149 4.440 1.00 0.00 ATOM 631 NZ LYS 85 -1.044 2.681 4.707 1.00 0.00 ATOM 632 O LYS 85 6.541 0.255 4.727 1.00 0.00 ATOM 633 C LYS 85 6.037 0.530 3.649 1.00 0.00 ATOM 634 N LYS 86 6.244 -0.183 2.545 1.00 0.00 ATOM 635 CA LYS 86 7.137 -1.340 2.499 1.00 0.00 ATOM 636 CB LYS 86 6.476 -2.552 3.159 1.00 0.00 ATOM 637 CG LYS 86 5.240 -3.059 2.434 1.00 0.00 ATOM 638 CD LYS 86 4.647 -4.269 3.135 1.00 0.00 ATOM 639 CE LYS 86 3.401 -4.765 2.418 1.00 0.00 ATOM 640 NZ LYS 86 2.808 -5.953 3.094 1.00 0.00 ATOM 641 O LYS 86 6.682 -1.236 0.140 1.00 0.00 ATOM 642 C LYS 86 7.433 -1.632 1.032 1.00 0.00 ATOM 643 N THR 87 8.528 -2.328 0.792 1.00 0.00 ATOM 644 CA THR 87 8.954 -2.659 -0.559 1.00 0.00 ATOM 645 CB THR 87 10.233 -1.836 -0.882 1.00 0.00 ATOM 646 CG2 THR 87 11.434 -2.373 -0.100 1.00 0.00 ATOM 647 OG1 THR 87 10.594 -1.990 -2.259 1.00 0.00 ATOM 648 O THR 87 9.444 -4.887 0.139 1.00 0.00 ATOM 649 C THR 87 9.126 -4.142 -0.785 1.00 0.00 ATOM 650 N GLU 88 8.907 -4.572 -2.021 1.00 0.00 ATOM 651 CA GLU 88 9.162 -5.960 -2.335 1.00 0.00 ATOM 652 CB GLU 88 8.676 -6.288 -3.748 1.00 0.00 ATOM 653 CG GLU 88 8.826 -7.751 -4.131 1.00 0.00 ATOM 654 CD GLU 88 8.285 -8.048 -5.516 1.00 0.00 ATOM 655 OE1 GLU 88 7.805 -7.106 -6.181 1.00 0.00 ATOM 656 OE2 GLU 88 8.340 -9.223 -5.936 1.00 0.00 ATOM 657 O GLU 88 11.403 -5.028 -2.342 1.00 0.00 ATOM 658 C GLU 88 10.675 -6.006 -2.142 1.00 0.00 ATOM 659 N THR 89 11.231 -7.108 -1.664 1.00 0.00 ATOM 660 CA THR 89 12.640 -7.300 -1.394 1.00 0.00 ATOM 661 CB THR 89 12.949 -8.716 -0.872 1.00 0.00 ATOM 662 CG2 THR 89 14.444 -8.891 -0.660 1.00 0.00 ATOM 663 OG1 THR 89 12.275 -8.926 0.375 1.00 0.00 ATOM 664 O THR 89 14.527 -6.410 -2.610 1.00 0.00 ATOM 665 C THR 89 13.504 -7.098 -2.643 1.00 0.00 ATOM 666 N ILE 90 13.096 -7.723 -3.735 1.00 0.00 ATOM 667 CA ILE 90 13.829 -7.633 -4.981 1.00 0.00 ATOM 668 CB ILE 90 13.255 -8.590 -6.043 1.00 0.00 ATOM 669 CG1 ILE 90 13.485 -10.044 -5.628 1.00 0.00 ATOM 670 CG2 ILE 90 13.929 -8.360 -7.386 1.00 0.00 ATOM 671 CD1 ILE 90 12.730 -11.047 -6.472 1.00 0.00 ATOM 672 O ILE 90 14.809 -5.748 -6.100 1.00 0.00 ATOM 673 C ILE 90 13.801 -6.226 -5.574 1.00 0.00 ATOM 674 N ILE 91 12.666 -5.577 -5.494 1.00 0.00 ATOM 675 CA ILE 91 12.570 -4.226 -6.028 1.00 0.00 ATOM 676 CB ILE 91 11.144 -3.655 -5.929 1.00 0.00 ATOM 677 CG1 ILE 91 10.194 -4.430 -6.843 1.00 0.00 ATOM 678 CG2 ILE 91 11.125 -2.193 -6.342 1.00 0.00 ATOM 679 CD1 ILE 91 8.732 -4.117 -6.612 1.00 0.00 ATOM 680 O ILE 91 14.145 -2.436 -5.850 1.00 0.00 ATOM 681 C ILE 91 13.514 -3.302 -5.270 1.00 0.00 ATOM 682 N ALA 92 13.556 -3.470 -3.956 1.00 0.00 ATOM 683 CA ALA 92 14.422 -2.669 -3.108 1.00 0.00 ATOM 684 CB ALA 92 14.333 -3.140 -1.665 1.00 0.00 ATOM 685 O ALA 92 16.575 -1.838 -3.727 1.00 0.00 ATOM 686 C ALA 92 15.844 -2.837 -3.584 1.00 0.00 ATOM 687 N VAL 93 16.278 -4.092 -3.807 1.00 0.00 ATOM 688 CA VAL 93 17.604 -4.367 -4.284 1.00 0.00 ATOM 689 CB VAL 93 17.825 -5.886 -4.427 1.00 0.00 ATOM 690 CG1 VAL 93 19.146 -6.168 -5.128 1.00 0.00 ATOM 691 CG2 VAL 93 17.854 -6.549 -3.059 1.00 0.00 ATOM 692 O VAL 93 18.830 -3.053 -5.896 1.00 0.00 ATOM 693 C VAL 93 17.825 -3.730 -5.657 1.00 0.00 ATOM 694 N GLY 94 16.865 -3.937 -6.668 1.00 0.00 ATOM 695 CA GLY 94 16.994 -3.372 -7.997 1.00 0.00 ATOM 696 O GLY 94 17.768 -1.245 -8.767 1.00 0.00 ATOM 697 C GLY 94 17.034 -1.855 -7.983 1.00 0.00 ATOM 698 N ALA 95 16.240 -1.249 -7.104 1.00 0.00 ATOM 699 CA ALA 95 16.192 0.205 -6.993 1.00 0.00 ATOM 700 CB ALA 95 15.199 0.622 -5.918 1.00 0.00 ATOM 701 O ALA 95 18.044 1.705 -7.205 1.00 0.00 ATOM 702 C ALA 95 17.575 0.728 -6.623 1.00 0.00 ATOM 703 N ALA 96 18.200 0.099 -5.625 1.00 0.00 ATOM 704 CA ALA 96 19.527 0.511 -5.206 1.00 0.00 ATOM 705 CB ALA 96 19.988 -0.317 -4.017 1.00 0.00 ATOM 706 O ALA 96 21.300 1.206 -6.670 1.00 0.00 ATOM 707 C ALA 96 20.532 0.298 -6.348 1.00 0.00 ATOM 708 N MET 97 20.487 -0.880 -6.974 1.00 0.00 ATOM 709 CA MET 97 21.513 -1.202 -7.971 1.00 0.00 ATOM 710 CB MET 97 21.330 -2.654 -8.417 1.00 0.00 ATOM 711 CG MET 97 21.730 -3.680 -7.370 1.00 0.00 ATOM 712 SD MET 97 23.467 -3.554 -6.899 1.00 0.00 ATOM 713 CE MET 97 24.265 -4.093 -8.409 1.00 0.00 ATOM 714 O MET 97 22.370 -0.038 -9.885 1.00 0.00 ATOM 715 C MET 97 21.379 -0.347 -9.213 1.00 0.00 ATOM 716 N ALA 98 20.088 0.033 -9.564 1.00 0.00 ATOM 717 CA ALA 98 19.798 0.881 -10.704 1.00 0.00 ATOM 718 CB ALA 98 18.386 0.625 -11.209 1.00 0.00 ATOM 719 O ALA 98 19.635 3.246 -11.200 1.00 0.00 ATOM 720 C ALA 98 19.906 2.380 -10.350 1.00 0.00 ATOM 721 N GLU 99 20.108 2.650 -9.178 1.00 0.00 ATOM 722 CA GLU 99 20.226 4.049 -8.695 1.00 0.00 ATOM 723 CB GLU 99 21.828 4.312 -8.660 1.00 0.00 ATOM 724 CG GLU 99 22.641 3.285 -7.897 1.00 0.00 ATOM 725 CD GLU 99 24.137 3.429 -8.114 1.00 0.00 ATOM 726 OE1 GLU 99 24.880 2.531 -7.666 1.00 0.00 ATOM 727 OE2 GLU 99 24.570 4.431 -8.728 1.00 0.00 ATOM 728 O GLU 99 18.991 6.091 -8.842 1.00 0.00 ATOM 729 C GLU 99 19.033 4.956 -8.389 1.00 0.00 ATOM 730 N ILE 100 18.073 4.460 -7.612 1.00 0.00 ATOM 731 CA ILE 100 16.906 5.253 -7.230 1.00 0.00 ATOM 732 CB ILE 100 15.658 4.723 -7.912 1.00 0.00 ATOM 733 CG1 ILE 100 15.811 4.641 -9.422 1.00 0.00 ATOM 734 CG2 ILE 100 14.485 5.562 -7.524 1.00 0.00 ATOM 735 CD1 ILE 100 14.637 3.936 -10.078 1.00 0.00 ATOM 736 O ILE 100 16.632 4.109 -5.158 1.00 0.00 ATOM 737 C ILE 100 16.742 5.197 -5.723 1.00 0.00 ATOM 738 N PRO 101 16.718 6.357 -5.050 1.00 0.00 ATOM 739 CA PRO 101 16.566 6.377 -3.597 1.00 0.00 ATOM 740 CB PRO 101 16.892 7.822 -3.213 1.00 0.00 ATOM 741 CG PRO 101 17.679 8.346 -4.367 1.00 0.00 ATOM 742 CD PRO 101 17.117 7.681 -5.592 1.00 0.00 ATOM 743 O PRO 101 14.186 6.209 -3.856 1.00 0.00 ATOM 744 C PRO 101 15.162 6.015 -3.135 1.00 0.00 ATOM 745 N LEU 102 15.067 5.476 -1.926 1.00 0.00 ATOM 746 CA LEU 102 13.793 5.035 -1.391 1.00 0.00 ATOM 747 CB LEU 102 13.731 3.506 -1.378 1.00 0.00 ATOM 748 CG LEU 102 13.832 2.812 -2.739 1.00 0.00 ATOM 749 CD1 LEU 102 13.934 1.305 -2.567 1.00 0.00 ATOM 750 CD2 LEU 102 12.605 3.112 -3.587 1.00 0.00 ATOM 751 O LEU 102 14.496 5.657 0.800 1.00 0.00 ATOM 752 C LEU 102 13.561 5.509 0.023 1.00 0.00 ATOM 753 N VAL 103 12.299 5.746 0.350 1.00 0.00 ATOM 754 CA VAL 103 11.939 6.153 1.699 1.00 0.00 ATOM 755 CB VAL 103 11.375 7.586 1.725 1.00 0.00 ATOM 756 CG1 VAL 103 10.961 7.970 3.137 1.00 0.00 ATOM 757 CG2 VAL 103 12.424 8.578 1.246 1.00 0.00 ATOM 758 O VAL 103 10.013 4.738 1.426 1.00 0.00 ATOM 759 C VAL 103 10.881 5.182 2.197 1.00 0.00 ATOM 760 N GLU 104 10.956 4.859 3.490 1.00 0.00 ATOM 761 CA GLU 104 10.034 3.919 4.102 1.00 0.00 ATOM 762 CB GLU 104 10.795 2.735 4.703 1.00 0.00 ATOM 763 CG GLU 104 11.489 1.858 3.676 1.00 0.00 ATOM 764 CD GLU 104 12.169 0.656 4.301 1.00 0.00 ATOM 765 OE1 GLU 104 12.074 0.495 5.536 1.00 0.00 ATOM 766 OE2 GLU 104 12.796 -0.126 3.557 1.00 0.00 ATOM 767 O GLU 104 9.796 5.087 6.178 1.00 0.00 ATOM 768 C GLU 104 9.240 4.629 5.184 1.00 0.00 ATOM 769 N VAL 105 7.851 4.437 5.074 1.00 0.00 ATOM 770 CA VAL 105 6.981 4.971 6.117 1.00 0.00 ATOM 771 CB VAL 105 7.409 6.391 6.531 1.00 0.00 ATOM 772 CG1 VAL 105 8.828 6.382 7.077 1.00 0.00 ATOM 773 CG2 VAL 105 7.359 7.331 5.336 1.00 0.00 ATOM 774 O VAL 105 5.184 4.719 4.564 1.00 0.00 ATOM 775 C VAL 105 5.526 5.050 5.701 1.00 0.00 ATOM 776 N ARG 106 4.663 5.464 6.630 1.00 0.00 ATOM 777 CA ARG 106 3.234 5.580 6.346 1.00 0.00 ATOM 778 CB ARG 106 2.469 5.988 7.606 1.00 0.00 ATOM 779 CG ARG 106 0.958 6.012 7.434 1.00 0.00 ATOM 780 CD ARG 106 0.262 6.420 8.722 1.00 0.00 ATOM 781 NE ARG 106 0.509 5.468 9.802 1.00 0.00 ATOM 782 CZ ARG 106 -0.158 4.330 9.963 1.00 0.00 ATOM 783 NH1 ARG 106 0.134 3.525 10.975 1.00 0.00 ATOM 784 NH2 ARG 106 -1.119 3.999 9.109 1.00 0.00 ATOM 785 O ARG 106 3.495 7.771 5.365 1.00 0.00 ATOM 786 C ARG 106 2.988 6.638 5.276 1.00 0.00 ATOM 787 N ASP 107 2.205 6.271 4.248 1.00 0.00 ATOM 788 CA ASP 107 1.965 7.193 3.153 1.00 0.00 ATOM 789 CB ASP 107 1.032 6.542 2.130 1.00 0.00 ATOM 790 CG ASP 107 1.718 5.456 1.325 1.00 0.00 ATOM 791 OD1 ASP 107 2.962 5.365 1.388 1.00 0.00 ATOM 792 OD2 ASP 107 1.011 4.696 0.631 1.00 0.00 ATOM 793 O ASP 107 1.668 9.577 3.124 1.00 0.00 ATOM 794 C ASP 107 1.309 8.498 3.600 1.00 0.00 ATOM 795 N GLU 108 0.304 8.404 4.575 1.00 0.00 ATOM 796 CA GLU 108 -0.407 9.572 5.084 1.00 0.00 ATOM 797 CB GLU 108 -1.469 9.150 6.100 1.00 0.00 ATOM 798 CG GLU 108 -2.658 8.425 5.492 1.00 0.00 ATOM 799 CD GLU 108 -3.628 7.916 6.540 1.00 0.00 ATOM 800 OE1 GLU 108 -3.334 8.066 7.744 1.00 0.00 ATOM 801 OE2 GLU 108 -4.682 7.366 6.156 1.00 0.00 ATOM 802 O GLU 108 0.594 11.711 5.455 1.00 0.00 ATOM 803 C GLU 108 0.584 10.518 5.769 1.00 0.00 ATOM 804 N LYS 109 1.500 10.015 6.565 1.00 0.00 ATOM 805 CA LYS 109 2.487 10.865 7.212 1.00 0.00 ATOM 806 CB LYS 109 3.289 10.048 8.225 1.00 0.00 ATOM 807 CG LYS 109 4.326 10.853 8.991 1.00 0.00 ATOM 808 CD LYS 109 5.026 10.000 10.039 1.00 0.00 ATOM 809 CE LYS 109 6.086 10.797 10.781 1.00 0.00 ATOM 810 NZ LYS 109 6.816 9.959 11.772 1.00 0.00 ATOM 811 O LYS 109 3.725 12.663 6.230 1.00 0.00 ATOM 812 C LYS 109 3.464 11.452 6.205 1.00 0.00 ATOM 813 N PHE 110 3.998 10.595 5.328 1.00 0.00 ATOM 814 CA PHE 110 4.934 11.030 4.294 1.00 0.00 ATOM 815 CB PHE 110 5.548 9.845 3.562 1.00 0.00 ATOM 816 CG PHE 110 6.739 10.227 2.752 1.00 0.00 ATOM 817 CD1 PHE 110 7.998 10.291 3.346 1.00 0.00 ATOM 818 CD2 PHE 110 6.596 10.618 1.427 1.00 0.00 ATOM 819 CE1 PHE 110 9.097 10.747 2.632 1.00 0.00 ATOM 820 CE2 PHE 110 7.690 11.078 0.700 1.00 0.00 ATOM 821 CZ PHE 110 8.948 11.145 1.304 1.00 0.00 ATOM 822 O PHE 110 4.861 12.984 2.896 1.00 0.00 ATOM 823 C PHE 110 4.275 11.974 3.291 1.00 0.00 ATOM 824 N PHE 111 3.018 11.666 2.942 1.00 0.00 ATOM 825 CA PHE 111 2.262 12.490 2.007 1.00 0.00 ATOM 826 CB PHE 111 0.905 11.851 1.706 1.00 0.00 ATOM 827 CG PHE 111 0.060 12.645 0.751 1.00 0.00 ATOM 828 CD1 PHE 111 0.298 12.598 -0.611 1.00 0.00 ATOM 829 CD2 PHE 111 -0.973 13.440 1.215 1.00 0.00 ATOM 830 CE1 PHE 111 -0.479 13.327 -1.490 1.00 0.00 ATOM 831 CE2 PHE 111 -1.752 14.169 0.337 1.00 0.00 ATOM 832 CZ PHE 111 -1.508 14.117 -1.010 1.00 0.00 ATOM 833 O PHE 111 2.139 14.874 1.905 1.00 0.00 ATOM 834 C PHE 111 2.035 13.862 2.599 1.00 0.00 ATOM 835 N GLU 112 1.722 13.893 3.880 1.00 0.00 ATOM 836 CA GLU 112 1.493 15.135 4.613 1.00 0.00 ATOM 837 CB GLU 112 1.078 14.836 6.055 1.00 0.00 ATOM 838 CG GLU 112 0.773 16.075 6.882 1.00 0.00 ATOM 839 CD GLU 112 0.332 15.739 8.293 1.00 0.00 ATOM 840 OE1 GLU 112 0.251 14.537 8.619 1.00 0.00 ATOM 841 OE2 GLU 112 0.066 16.679 9.072 1.00 0.00 ATOM 842 O GLU 112 2.735 17.185 4.356 1.00 0.00 ATOM 843 C GLU 112 2.768 15.983 4.644 1.00 0.00 ATOM 844 N ALA 113 3.893 15.383 5.032 1.00 0.00 ATOM 845 CA ALA 113 5.162 16.106 5.110 1.00 0.00 ATOM 846 CB ALA 113 6.270 15.181 5.586 1.00 0.00 ATOM 847 O ALA 113 5.972 17.849 3.656 1.00 0.00 ATOM 848 C ALA 113 5.638 16.663 3.768 1.00 0.00 ATOM 849 N VAL 114 5.656 15.822 2.746 1.00 0.00 ATOM 850 CA VAL 114 6.084 16.231 1.412 1.00 0.00 ATOM 851 CB VAL 114 5.971 14.983 0.426 1.00 0.00 ATOM 852 CG1 VAL 114 6.152 15.394 -1.034 1.00 0.00 ATOM 853 CG2 VAL 114 7.005 14.007 0.774 1.00 0.00 ATOM 854 O VAL 114 5.760 18.368 0.297 1.00 0.00 ATOM 855 C VAL 114 5.227 17.374 0.834 1.00 0.00 ATOM 856 N LYS 115 3.933 17.235 0.986 1.00 0.00 ATOM 857 CA LYS 115 2.968 18.242 0.538 1.00 0.00 ATOM 858 CB LYS 115 1.535 17.640 0.649 1.00 0.00 ATOM 859 CG LYS 115 0.448 18.421 -0.037 1.00 0.00 ATOM 860 CD LYS 115 -0.847 17.634 0.071 1.00 0.00 ATOM 861 CE LYS 115 -1.971 18.273 -0.694 1.00 0.00 ATOM 862 NZ LYS 115 -3.173 17.399 -0.620 1.00 0.00 ATOM 863 O LYS 115 2.874 20.638 0.621 1.00 0.00 ATOM 864 C LYS 115 3.190 19.604 1.206 1.00 0.00 ATOM 865 N THR 116 3.698 19.597 2.437 1.00 0.00 ATOM 866 CA THR 116 3.955 20.836 3.178 1.00 0.00 ATOM 867 CB THR 116 3.936 20.599 4.699 1.00 0.00 ATOM 868 CG2 THR 116 2.595 20.026 5.132 1.00 0.00 ATOM 869 OG1 THR 116 4.973 19.676 5.055 1.00 0.00 ATOM 870 O THR 116 5.670 22.518 3.267 1.00 0.00 ATOM 871 C THR 116 5.319 21.424 2.824 1.00 0.00 ATOM 872 N GLY 117 6.072 20.727 2.089 1.00 0.00 ATOM 873 CA GLY 117 7.377 21.218 1.687 1.00 0.00 ATOM 874 O GLY 117 9.682 21.028 2.266 1.00 0.00 ATOM 875 C GLY 117 8.533 20.650 2.490 1.00 0.00 ATOM 876 N ASP 118 8.235 19.750 3.425 1.00 0.00 ATOM 877 CA ASP 118 9.273 19.122 4.239 1.00 0.00 ATOM 878 CB ASP 118 8.735 18.792 5.633 1.00 0.00 ATOM 879 CG ASP 118 8.416 20.032 6.443 1.00 0.00 ATOM 880 OD1 ASP 118 9.249 20.963 6.460 1.00 0.00 ATOM 881 OD2 ASP 118 7.332 20.076 7.064 1.00 0.00 ATOM 882 O ASP 118 8.938 16.898 3.422 1.00 0.00 ATOM 883 C ASP 118 9.720 17.841 3.553 1.00 0.00 ATOM 884 N ARG 119 11.038 17.801 3.073 1.00 0.00 ATOM 885 CA ARG 119 11.569 16.628 2.366 1.00 0.00 ATOM 886 CB ARG 119 12.236 17.075 1.020 1.00 0.00 ATOM 887 CG ARG 119 13.558 17.806 1.206 1.00 0.00 ATOM 888 CD ARG 119 14.446 17.647 -0.028 1.00 0.00 ATOM 889 NE ARG 119 15.015 16.301 -0.108 1.00 0.00 ATOM 890 CZ ARG 119 14.835 15.457 -1.121 1.00 0.00 ATOM 891 NH1 ARG 119 15.400 14.253 -1.089 1.00 0.00 ATOM 892 NH2 ARG 119 14.092 15.806 -2.165 1.00 0.00 ATOM 893 O ARG 119 13.140 16.142 4.101 1.00 0.00 ATOM 894 C ARG 119 12.189 15.756 3.431 1.00 0.00 ATOM 895 N VAL 120 11.698 14.538 3.547 1.00 0.00 ATOM 896 CA VAL 120 12.134 13.656 4.596 1.00 0.00 ATOM 897 CB VAL 120 11.135 13.315 5.719 1.00 0.00 ATOM 898 CG1 VAL 120 10.753 14.567 6.492 1.00 0.00 ATOM 899 CG2 VAL 120 9.871 12.701 5.140 1.00 0.00 ATOM 900 O VAL 120 11.924 11.790 3.104 1.00 0.00 ATOM 901 C VAL 120 12.563 12.317 4.023 1.00 0.00 ATOM 902 N VAL 121 13.671 11.774 4.561 1.00 0.00 ATOM 903 CA VAL 121 14.154 10.454 4.176 1.00 0.00 ATOM 904 CB VAL 121 15.625 10.489 3.719 1.00 0.00 ATOM 905 CG1 VAL 121 16.091 9.097 3.321 1.00 0.00 ATOM 906 CG2 VAL 121 15.788 11.412 2.520 1.00 0.00 ATOM 907 O VAL 121 14.464 10.013 6.527 1.00 0.00 ATOM 908 C VAL 121 13.945 9.656 5.461 1.00 0.00 ATOM 909 N VAL 122 13.143 8.607 5.364 1.00 0.00 ATOM 910 CA VAL 122 12.788 7.820 6.527 1.00 0.00 ATOM 911 CB VAL 122 11.262 7.725 6.713 1.00 0.00 ATOM 912 CG1 VAL 122 10.924 6.849 7.909 1.00 0.00 ATOM 913 CG2 VAL 122 10.668 9.107 6.945 1.00 0.00 ATOM 914 O VAL 122 13.064 5.699 5.390 1.00 0.00 ATOM 915 C VAL 122 13.295 6.401 6.400 1.00 0.00 ATOM 916 N ASN 123 13.988 5.978 7.457 1.00 0.00 ATOM 917 CA ASN 123 14.346 4.575 7.666 1.00 0.00 ATOM 918 CB ASN 123 15.755 4.491 8.254 1.00 0.00 ATOM 919 CG ASN 123 16.300 3.077 8.262 1.00 0.00 ATOM 920 ND2 ASN 123 17.619 2.951 8.362 1.00 0.00 ATOM 921 OD1 ASN 123 15.543 2.108 8.179 1.00 0.00 ATOM 922 O ASN 123 13.241 4.225 9.762 1.00 0.00 ATOM 923 C ASN 123 13.267 3.963 8.572 1.00 0.00 ATOM 924 N ALA 124 12.397 3.172 7.995 1.00 0.00 ATOM 925 CA ALA 124 11.282 2.606 8.760 1.00 0.00 ATOM 926 CB ALA 124 10.263 1.960 7.835 1.00 0.00 ATOM 927 O ALA 124 11.341 1.585 10.950 1.00 0.00 ATOM 928 C ALA 124 11.822 1.651 9.810 1.00 0.00 ATOM 929 N ASP 125 12.842 0.949 9.388 1.00 0.00 ATOM 930 CA ASP 125 13.433 -0.020 10.270 1.00 0.00 ATOM 931 CB ASP 125 14.522 -0.804 9.535 1.00 0.00 ATOM 932 CG ASP 125 13.958 -1.728 8.473 1.00 0.00 ATOM 933 OD1 ASP 125 12.732 -1.970 8.487 1.00 0.00 ATOM 934 OD2 ASP 125 14.741 -2.210 7.629 1.00 0.00 ATOM 935 O ASP 125 13.906 0.037 12.608 1.00 0.00 ATOM 936 C ASP 125 14.062 0.572 11.523 1.00 0.00 ATOM 937 N GLU 126 14.761 1.692 11.386 1.00 0.00 ATOM 938 CA GLU 126 15.418 2.298 12.546 1.00 0.00 ATOM 939 CB GLU 126 16.752 2.927 12.138 1.00 0.00 ATOM 940 CG GLU 126 17.772 1.930 11.611 1.00 0.00 ATOM 941 CD GLU 126 19.064 2.594 11.177 1.00 0.00 ATOM 942 OE1 GLU 126 19.153 3.835 11.267 1.00 0.00 ATOM 943 OE2 GLU 126 19.987 1.870 10.747 1.00 0.00 ATOM 944 O GLU 126 15.064 3.889 14.267 1.00 0.00 ATOM 945 C GLU 126 14.627 3.426 13.224 1.00 0.00 ATOM 946 N GLY 127 13.567 3.891 12.568 1.00 0.00 ATOM 947 CA GLY 127 12.737 4.939 13.114 1.00 0.00 ATOM 948 O GLY 127 12.713 7.323 13.310 1.00 0.00 ATOM 949 C GLY 127 13.301 6.335 12.865 1.00 0.00 ATOM 950 N TYR 128 14.103 6.418 11.859 1.00 0.00 ATOM 951 CA TYR 128 14.770 7.704 11.708 1.00 0.00 ATOM 952 CB TYR 128 16.264 7.460 11.484 1.00 0.00 ATOM 953 CG TYR 128 17.078 8.727 11.354 1.00 0.00 ATOM 954 CD1 TYR 128 17.442 9.457 12.479 1.00 0.00 ATOM 955 CD2 TYR 128 17.481 9.190 10.108 1.00 0.00 ATOM 956 CE1 TYR 128 18.186 10.616 12.370 1.00 0.00 ATOM 957 CE2 TYR 128 18.225 10.347 9.979 1.00 0.00 ATOM 958 CZ TYR 128 18.576 11.061 11.125 1.00 0.00 ATOM 959 OH TYR 128 19.318 12.215 11.013 1.00 0.00 ATOM 960 O TYR 128 14.287 8.085 9.374 1.00 0.00 ATOM 961 C TYR 128 14.255 8.525 10.521 1.00 0.00 ATOM 962 N VAL 129 13.782 9.729 10.815 1.00 0.00 ATOM 963 CA VAL 129 13.271 10.618 9.783 1.00 0.00 ATOM 964 CB VAL 129 11.842 11.093 10.103 1.00 0.00 ATOM 965 CG1 VAL 129 11.344 12.048 9.029 1.00 0.00 ATOM 966 CG2 VAL 129 10.889 9.908 10.170 1.00 0.00 ATOM 967 O VAL 129 14.313 12.553 10.671 1.00 0.00 ATOM 968 C VAL 129 14.164 11.810 9.690 1.00 0.00 ATOM 969 N GLU 130 14.770 12.030 8.535 1.00 0.00 ATOM 970 CA GLU 130 15.613 13.196 8.302 1.00 0.00 ATOM 971 CB GLU 130 16.686 12.887 7.258 1.00 0.00 ATOM 972 CG GLU 130 17.770 13.961 7.186 1.00 0.00 ATOM 973 CD GLU 130 18.914 13.593 6.259 1.00 0.00 ATOM 974 OE1 GLU 130 19.039 12.401 5.899 1.00 0.00 ATOM 975 OE2 GLU 130 19.702 14.498 5.904 1.00 0.00 ATOM 976 O GLU 130 14.377 13.928 6.403 1.00 0.00 ATOM 977 C GLU 130 14.769 14.211 7.568 1.00 0.00 ATOM 978 N LEU 131 14.255 15.533 8.153 1.00 0.00 ATOM 979 CA LEU 131 13.363 16.551 7.632 1.00 0.00 ATOM 980 CB LEU 131 12.268 16.910 8.667 1.00 0.00 ATOM 981 CG LEU 131 11.255 17.982 8.222 1.00 0.00 ATOM 982 CD1 LEU 131 10.356 17.539 7.050 1.00 0.00 ATOM 983 CD2 LEU 131 10.375 18.407 9.399 1.00 0.00 ATOM 984 O LEU 131 14.828 18.409 8.016 1.00 0.00 ATOM 985 C LEU 131 14.193 17.750 7.189 1.00 0.00 ATOM 986 N ILE 132 14.163 17.999 5.882 1.00 0.00 ATOM 987 CA ILE 132 14.966 19.095 5.361 1.00 0.00 ATOM 988 CB ILE 132 16.277 18.701 4.654 1.00 0.00 ATOM 989 CG1 ILE 132 15.984 17.820 3.437 1.00 0.00 ATOM 990 CG2 ILE 132 17.182 17.927 5.601 1.00 0.00 ATOM 991 CD1 ILE 132 17.191 17.565 2.562 1.00 0.00 ATOM 992 O ILE 132 13.187 19.633 3.827 1.00 0.00 ATOM 993 C ILE 132 14.237 19.985 4.367 1.00 0.00 ATOM 994 N GLU 133 14.811 21.167 4.210 1.00 0.00 ATOM 995 CA GLU 133 14.310 22.118 3.220 1.00 0.00 ATOM 996 CB GLU 133 14.556 23.557 3.677 1.00 0.00 ATOM 997 CG GLU 133 13.770 23.969 4.909 1.00 0.00 ATOM 998 CD GLU 133 12.276 23.798 4.726 1.00 0.00 ATOM 999 OE1 GLU 133 11.737 24.303 3.718 1.00 0.00 ATOM 1000 OE2 GLU 133 11.641 23.160 5.593 1.00 0.00 ATOM 1001 O GLU 133 16.270 21.809 1.884 1.00 0.00 ATOM 1002 C GLU 133 15.040 21.854 1.913 1.00 0.00 ATOM 1003 N LEU 134 14.288 21.685 0.831 1.00 0.00 ATOM 1004 CA LEU 134 14.902 21.404 -0.460 1.00 0.00 ATOM 1005 CB LEU 134 13.862 21.190 -1.544 1.00 0.00 ATOM 1006 CG LEU 134 14.470 20.872 -2.921 1.00 0.00 ATOM 1007 CD1 LEU 134 15.144 19.521 -2.864 1.00 0.00 ATOM 1008 CD2 LEU 134 13.390 20.887 -4.004 1.00 0.00 ATOM 1009 O LEU 134 16.950 22.170 -1.425 1.00 0.00 ATOM 1010 C LEU 134 15.889 22.486 -0.892 1.00 0.00 ATOM 1011 N GLU 135 15.548 23.756 -0.699 1.00 0.00 ATOM 1012 CA GLU 135 16.474 24.806 -1.112 1.00 0.00 ATOM 1013 CB GLU 135 15.778 26.170 -0.909 1.00 0.00 ATOM 1014 CG GLU 135 16.514 27.358 -1.493 1.00 0.00 ATOM 1015 CD GLU 135 15.750 28.670 -1.300 1.00 0.00 ATOM 1016 OE1 GLU 135 14.585 28.642 -0.862 1.00 0.00 ATOM 1017 OE2 GLU 135 16.327 29.733 -1.581 1.00 0.00 ATOM 1018 O GLU 135 18.855 24.980 -0.938 1.00 0.00 ATOM 1019 C GLU 135 17.799 24.705 -0.369 1.00 0.00 ATOM 1020 N HIS 136 17.747 24.322 0.890 1.00 0.00 ATOM 1021 CA HIS 136 18.963 24.177 1.700 1.00 0.00 ATOM 1022 CB HIS 136 18.531 23.975 3.170 1.00 0.00 ATOM 1023 CG HIS 136 19.670 23.917 4.136 1.00 0.00 ATOM 1024 CD2 HIS 136 20.653 24.806 4.406 1.00 0.00 ATOM 1025 ND1 HIS 136 19.884 22.839 4.968 1.00 0.00 ATOM 1026 CE1 HIS 136 20.957 23.064 5.708 1.00 0.00 ATOM 1027 NE2 HIS 136 21.441 24.251 5.387 1.00 0.00 ATOM 1028 O HIS 136 21.077 23.223 1.066 1.00 0.00 ATOM 1029 C HIS 136 19.850 23.076 1.146 1.00 0.00 ATOM 1030 N HIS 137 19.234 21.935 0.644 1.00 0.00 ATOM 1031 CA HIS 137 19.985 20.849 0.020 1.00 0.00 ATOM 1032 CB HIS 137 19.055 19.665 -0.320 1.00 0.00 ATOM 1033 CG HIS 137 19.659 18.673 -1.264 1.00 0.00 ATOM 1034 CD2 HIS 137 20.423 17.575 -1.042 1.00 0.00 ATOM 1035 ND1 HIS 137 19.498 18.755 -2.636 1.00 0.00 ATOM 1036 CE1 HIS 137 20.155 17.763 -3.216 1.00 0.00 ATOM 1037 NE2 HIS 137 20.728 17.034 -2.272 1.00 0.00 ATOM 1038 O HIS 137 21.845 20.964 -1.511 1.00 0.00 ATOM 1039 C HIS 137 20.693 21.326 -1.249 1.00 0.00 ATOM 1040 N HIS 138 19.980 22.130 -2.048 1.00 0.00 ATOM 1041 CA HIS 138 20.533 22.653 -3.297 1.00 0.00 ATOM 1042 CB HIS 138 19.426 23.262 -4.153 1.00 0.00 ATOM 1043 CG HIS 138 18.791 22.288 -5.086 1.00 0.00 ATOM 1044 CD2 HIS 138 17.879 21.311 -4.872 1.00 0.00 ATOM 1045 ND1 HIS 138 19.056 22.280 -6.440 1.00 0.00 ATOM 1046 CE1 HIS 138 18.334 21.332 -7.017 1.00 0.00 ATOM 1047 NE2 HIS 138 17.607 20.735 -6.091 1.00 0.00 ATOM 1048 O HIS 138 22.577 23.730 -3.867 1.00 0.00 ATOM 1049 C HIS 138 21.646 23.678 -3.075 1.00 0.00 ATOM 1050 N HIS 139 21.543 24.505 -1.950 1.00 0.00 ATOM 1051 CA HIS 139 22.628 25.398 -1.551 1.00 0.00 ATOM 1052 CB HIS 139 22.168 26.349 -0.427 1.00 0.00 ATOM 1053 CG HIS 139 23.294 27.045 0.275 1.00 0.00 ATOM 1054 CD2 HIS 139 23.933 28.211 0.006 1.00 0.00 ATOM 1055 ND1 HIS 139 23.892 26.533 1.413 1.00 0.00 ATOM 1056 CE1 HIS 139 24.864 27.344 1.799 1.00 0.00 ATOM 1057 NE2 HIS 139 24.912 28.368 0.962 1.00 0.00 ATOM 1058 O HIS 139 24.994 24.973 -1.368 1.00 0.00 ATOM 1059 C HIS 139 23.849 24.604 -1.085 1.00 0.00 ATOM 1060 N HIS 140 23.602 23.551 -0.309 1.00 0.00 ATOM 1061 CA HIS 140 24.678 22.708 0.213 1.00 0.00 ATOM 1062 CB HIS 140 24.190 21.903 1.415 1.00 0.00 ATOM 1063 CG HIS 140 24.387 22.600 2.718 1.00 0.00 ATOM 1064 CD2 HIS 140 23.700 23.606 3.304 1.00 0.00 ATOM 1065 ND1 HIS 140 25.384 22.247 3.603 1.00 0.00 ATOM 1066 CE1 HIS 140 25.303 23.014 4.679 1.00 0.00 ATOM 1067 NE2 HIS 140 24.285 23.843 4.527 1.00 0.00 ATOM 1068 O HIS 140 26.464 21.522 -0.821 1.00 0.00 ATOM 1069 C HIS 140 25.266 21.768 -0.841 1.00 0.00 ATOM 1070 N HIS 141 24.424 21.263 -1.753 1.00 0.00 ATOM 1071 CA HIS 141 24.905 20.364 -2.812 1.00 0.00 ATOM 1072 CB HIS 141 24.956 18.920 -2.308 1.00 0.00 ATOM 1073 CG HIS 141 25.581 17.965 -3.274 1.00 0.00 ATOM 1074 CD2 HIS 141 25.166 16.736 -3.936 1.00 0.00 ATOM 1075 ND1 HIS 141 26.857 18.131 -3.765 1.00 0.00 ATOM 1076 CE1 HIS 141 27.139 17.119 -4.607 1.00 0.00 ATOM 1077 NE2 HIS 141 26.128 16.279 -4.713 1.00 0.00 ATOM 1078 O HIS 141 23.011 21.209 -4.047 1.00 0.00 ATOM 1079 C HIS 141 23.978 20.423 -4.016 1.00 0.00 TER END