PFRMAT TS TARGET T0304 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 Our results for this model were awful. We did not get initially get a METHOD model that included the strongly predicted helix for D56-T78. We METHOD ended up looking at server models that scored well with our METHOD unconstrained cost function, and searching for even more remote fold METHOD recognition models. We did not have the time to do real "ab initio" METHOD modeling of this target. METHOD METHOD Model 1 is try34-opt2 from try20-opt2 from alignment to 1ew0A. METHOD METHOD Model 2 is try24-opt2 from try13-opt2 from alignment to 1jzgA. METHOD METHOD Model 3 is try31-opt2 from alignment to 1i1qA. METHOD METHOD Model 4 is try32-opt2 from try11-opt2 from alignment to 1cuoA. METHOD METHOD Model 5 is try6-opt2, optimized from SP3_TS2. It not only has the METHOD long helix, but it scores best with our cost functions. METHOD REMARK 6 REMARK 6 T0304 model 1 Sun Jul 9 13:35:28 2006 MODEL 1 PARENT 1ryb_A 1gul_A 1wom_A 1gum_A 2gai_A REMARK 7 REMARK 7 ALLPARENTS 1ryb_A 1gul_A 1wom_A 1gum_A 2gai_A 1z9l_A 1kae_A REMARK 7 ALLPARENTS 1zem_A 1lj2_A 1vpk_A 2f9l_A 1u69_A 1k3y_A 1rw2_A REMARK 7 ALLPARENTS 1i1q_A 1ew0_A 1kpf 1cc3_A 2aza_A 1cuo_A 1jzg_A REMARK 7 ALLPARENTS 1nwp_A 1ete_A 1reg_X 1qto_A 1ijx_A 8ruc_I 3rub_S REMARK 7 ALLPARENTS 1eo6_A 1gnu_A 1d4x_G 1poc 1h9d_A 1qd9_A 1qu9_A REMARK 7 ALLPARENTS 1poc 1qu9_A 1kpf 8ruc_I 3rub_S 1jd1_A 1ete_A REMARK 7 ALLPARENTS 1qd9_A 1fjg_K 1ew0_A 1nwp_A 1cuo_A 1cc3_A 3nul REMARK 7 ALLPARENTS 1ijx_A 2aza_A 1jzg_A 1acf 1jyo_A 1otg_A ATOM 1 N MET 1 -1.204 -7.206 12.184 1.00 0.00 ATOM 2 CA MET 1 -0.392 -6.546 13.196 1.00 0.00 ATOM 3 CB MET 1 0.845 -7.387 13.521 1.00 0.00 ATOM 4 CG MET 1 0.540 -8.679 14.262 1.00 0.00 ATOM 5 SD MET 1 -0.239 -8.395 15.863 1.00 0.00 ATOM 6 CE MET 1 1.113 -7.656 16.774 1.00 0.00 ATOM 7 O MET 1 0.119 -4.215 13.418 1.00 0.00 ATOM 8 C MET 1 0.057 -5.189 12.675 1.00 0.00 ATOM 9 N SER 2 0.358 -5.123 11.384 1.00 0.00 ATOM 10 CA SER 2 0.786 -3.868 10.789 1.00 0.00 ATOM 11 CB SER 2 1.301 -4.168 9.341 1.00 0.00 ATOM 12 OG SER 2 2.090 -3.097 8.858 1.00 0.00 ATOM 13 O SER 2 -0.078 -1.649 11.080 1.00 0.00 ATOM 14 C SER 2 -0.337 -2.835 10.876 1.00 0.00 ATOM 15 N ASP 3 -1.592 -3.283 10.717 1.00 0.00 ATOM 16 CA ASP 3 -2.734 -2.369 10.783 1.00 0.00 ATOM 17 CB ASP 3 -4.044 -2.923 10.540 1.00 0.00 ATOM 18 CG ASP 3 -4.508 -3.956 11.555 1.00 0.00 ATOM 19 OD1 ASP 3 -3.795 -4.962 11.773 1.00 0.00 ATOM 20 OD2 ASP 3 -5.596 -3.756 12.138 1.00 0.00 ATOM 21 O ASP 3 -2.987 -0.630 12.421 1.00 0.00 ATOM 22 C ASP 3 -2.765 -1.816 12.206 1.00 0.00 ATOM 23 N THR 4 -2.598 -2.677 13.236 1.00 0.00 ATOM 24 CA THR 4 -2.602 -2.284 14.641 1.00 0.00 ATOM 25 CB THR 4 -2.535 -3.512 15.570 1.00 0.00 ATOM 26 CG2 THR 4 -2.501 -3.076 17.027 1.00 0.00 ATOM 27 OG1 THR 4 -3.689 -4.335 15.360 1.00 0.00 ATOM 28 O THR 4 -1.491 -0.434 15.713 1.00 0.00 ATOM 29 C THR 4 -1.393 -1.392 14.943 1.00 0.00 ATOM 30 N LEU 5 -0.237 -1.739 14.388 1.00 0.00 ATOM 31 CA LEU 5 0.958 -0.940 14.600 1.00 0.00 ATOM 32 CB LEU 5 2.133 -1.512 13.803 1.00 0.00 ATOM 33 CG LEU 5 3.461 -0.761 13.921 1.00 0.00 ATOM 34 CD1 LEU 5 3.957 -0.765 15.359 1.00 0.00 ATOM 35 CD2 LEU 5 4.525 -1.410 13.050 1.00 0.00 ATOM 36 O LEU 5 0.953 1.451 14.826 1.00 0.00 ATOM 37 C LEU 5 0.663 0.474 14.136 1.00 0.00 ATOM 38 N PRO 6 0.039 0.576 12.969 1.00 0.00 ATOM 39 CA PRO 6 -0.293 1.866 12.392 1.00 0.00 ATOM 40 CB PRO 6 -0.798 1.540 11.008 1.00 0.00 ATOM 41 CG PRO 6 0.019 0.353 10.642 1.00 0.00 ATOM 42 CD PRO 6 -0.011 -0.474 11.907 1.00 0.00 ATOM 43 O PRO 6 -1.274 3.874 13.289 1.00 0.00 ATOM 44 C PRO 6 -1.322 2.643 13.220 1.00 0.00 ATOM 45 N GLY 7 -2.299 1.864 13.831 1.00 0.00 ATOM 46 CA GLY 7 -3.323 2.476 14.662 1.00 0.00 ATOM 47 O GLY 7 -3.042 4.238 16.255 1.00 0.00 ATOM 48 C GLY 7 -2.684 3.119 15.894 1.00 0.00 ATOM 49 N THR 8 -1.716 2.425 16.502 1.00 0.00 ATOM 50 CA THR 8 -1.035 2.940 17.686 1.00 0.00 ATOM 51 CB THR 8 -0.211 1.789 18.338 1.00 0.00 ATOM 52 CG2 THR 8 0.621 2.329 19.507 1.00 0.00 ATOM 53 OG1 THR 8 -1.161 0.846 18.834 1.00 0.00 ATOM 54 O THR 8 -0.115 5.102 18.146 1.00 0.00 ATOM 55 C THR 8 -0.185 4.161 17.353 1.00 0.00 ATOM 56 N THR 9 0.434 4.133 16.155 1.00 0.00 ATOM 57 CA THR 9 1.274 5.236 15.710 1.00 0.00 ATOM 58 CB THR 9 2.215 4.754 14.526 1.00 0.00 ATOM 59 CG2 THR 9 3.149 3.614 14.933 1.00 0.00 ATOM 60 OG1 THR 9 1.316 4.482 13.428 1.00 0.00 ATOM 61 O THR 9 0.826 7.540 15.410 1.00 0.00 ATOM 62 C THR 9 0.436 6.386 15.159 1.00 0.00 ATOM 63 N LEU 10 -0.826 6.288 14.496 1.00 0.00 ATOM 64 CA LEU 10 -1.682 7.351 13.971 1.00 0.00 ATOM 65 CB LEU 10 -2.637 6.881 12.872 1.00 0.00 ATOM 66 CG LEU 10 -1.999 6.174 11.675 1.00 0.00 ATOM 67 CD1 LEU 10 -3.066 5.680 10.710 1.00 0.00 ATOM 68 CD2 LEU 10 -1.076 7.121 10.921 1.00 0.00 ATOM 69 O LEU 10 -3.186 9.123 14.527 1.00 0.00 ATOM 70 C LEU 10 -2.516 8.175 14.941 1.00 0.00 ATOM 71 N PRO 11 -2.478 7.837 16.224 1.00 0.00 ATOM 72 CA PRO 11 -3.244 8.594 17.210 1.00 0.00 ATOM 73 CB PRO 11 -3.013 7.826 18.500 1.00 0.00 ATOM 74 CG PRO 11 -1.598 7.344 18.338 1.00 0.00 ATOM 75 CD PRO 11 -1.603 6.843 16.891 1.00 0.00 ATOM 76 O PRO 11 -1.575 10.302 16.924 1.00 0.00 ATOM 77 C PRO 11 -2.748 10.044 17.213 1.00 0.00 ATOM 78 N ASP 12 -3.650 10.977 17.551 1.00 0.00 ATOM 79 CA ASP 12 -3.269 12.386 17.576 1.00 0.00 ATOM 80 CB ASP 12 -4.483 13.185 18.066 1.00 0.00 ATOM 81 CG ASP 12 -5.643 13.106 17.090 1.00 0.00 ATOM 82 OD1 ASP 12 -5.393 12.906 15.882 1.00 0.00 ATOM 83 OD2 ASP 12 -6.805 13.251 17.524 1.00 0.00 ATOM 84 O ASP 12 -1.217 13.380 18.283 1.00 0.00 ATOM 85 C ASP 12 -2.073 12.527 18.494 1.00 0.00 ATOM 86 N ASP 13 -2.014 11.670 19.505 1.00 0.00 ATOM 87 CA ASP 13 -0.924 11.707 20.463 1.00 0.00 ATOM 88 CB ASP 13 -1.326 10.614 21.549 1.00 0.00 ATOM 89 CG ASP 13 -2.388 11.088 22.534 1.00 0.00 ATOM 90 OD1 ASP 13 -2.644 12.303 22.562 1.00 0.00 ATOM 91 OD2 ASP 13 -2.939 10.244 23.273 1.00 0.00 ATOM 92 O ASP 13 1.420 11.885 20.377 1.00 0.00 ATOM 93 C ASP 13 0.443 11.439 19.838 1.00 0.00 ATOM 94 N ASN 14 0.499 10.725 18.754 1.00 0.00 ATOM 95 CA ASN 14 1.753 10.341 18.108 1.00 0.00 ATOM 96 CB ASN 14 1.861 8.816 18.035 1.00 0.00 ATOM 97 CG ASN 14 1.742 8.137 19.390 1.00 0.00 ATOM 98 ND2 ASN 14 1.504 6.830 19.387 1.00 0.00 ATOM 99 OD1 ASN 14 1.865 8.787 20.430 1.00 0.00 ATOM 100 O ASN 14 2.909 10.573 16.011 1.00 0.00 ATOM 101 C ASN 14 1.988 10.933 16.745 1.00 0.00 ATOM 102 N HIS 15 1.170 11.962 16.392 1.00 0.00 ATOM 103 CA HIS 15 1.328 12.655 15.087 1.00 0.00 ATOM 104 CB HIS 15 -0.362 13.391 15.277 1.00 0.00 ATOM 105 CG HIS 15 -0.103 14.773 15.800 1.00 0.00 ATOM 106 CD2 HIS 15 -0.256 15.987 15.218 1.00 0.00 ATOM 107 ND1 HIS 15 0.351 15.019 17.078 1.00 0.00 ATOM 108 CE1 HIS 15 0.465 16.322 17.261 1.00 0.00 ATOM 109 NE2 HIS 15 0.105 16.933 16.145 1.00 0.00 ATOM 110 O HIS 15 3.073 13.793 13.960 1.00 0.00 ATOM 111 C HIS 15 2.639 13.431 15.045 1.00 0.00 ATOM 112 N ASP 16 3.240 13.674 16.211 1.00 0.00 ATOM 113 CA ASP 16 4.514 14.393 16.264 1.00 0.00 ATOM 114 CB ASP 16 4.466 15.445 17.381 1.00 0.00 ATOM 115 CG ASP 16 4.446 14.823 18.779 1.00 0.00 ATOM 116 OD1 ASP 16 3.931 13.697 18.935 1.00 0.00 ATOM 117 OD2 ASP 16 4.938 15.474 19.726 1.00 0.00 ATOM 118 O ASP 16 6.794 13.903 16.783 1.00 0.00 ATOM 119 C ASP 16 5.695 13.453 16.491 1.00 0.00 ATOM 120 N ARG 17 5.461 12.152 16.389 1.00 0.00 ATOM 121 CA ARG 17 6.530 11.174 16.601 1.00 0.00 ATOM 122 CB ARG 17 5.948 10.025 17.488 1.00 0.00 ATOM 123 CG ARG 17 5.187 10.523 18.711 1.00 0.00 ATOM 124 CD ARG 17 4.720 9.365 19.579 1.00 0.00 ATOM 125 NE ARG 17 5.840 8.588 20.103 1.00 0.00 ATOM 126 CZ ARG 17 6.756 9.065 20.940 1.00 0.00 ATOM 127 NH1 ARG 17 6.693 10.323 21.356 1.00 0.00 ATOM 128 NH2 ARG 17 7.738 8.280 21.363 1.00 0.00 ATOM 129 O ARG 17 6.268 10.416 14.314 1.00 0.00 ATOM 130 C ARG 17 7.006 10.507 15.304 1.00 0.00 ATOM 131 N PRO 18 8.246 10.033 15.319 1.00 0.00 ATOM 132 CA PRO 18 8.790 9.388 14.141 1.00 0.00 ATOM 133 CB PRO 18 10.271 9.235 14.485 1.00 0.00 ATOM 134 CG PRO 18 10.312 9.175 15.991 1.00 0.00 ATOM 135 CD PRO 18 9.151 9.997 16.462 1.00 0.00 ATOM 136 O PRO 18 7.702 7.364 14.890 1.00 0.00 ATOM 137 C PRO 18 8.042 8.065 13.932 1.00 0.00 ATOM 138 N TRP 19 7.703 7.808 12.668 1.00 0.00 ATOM 139 CA TRP 19 6.924 6.620 12.322 1.00 0.00 ATOM 140 CB TRP 19 6.052 6.922 11.059 1.00 0.00 ATOM 141 CG TRP 19 5.116 8.052 11.154 1.00 0.00 ATOM 142 CD1 TRP 19 5.348 9.346 10.794 1.00 0.00 ATOM 143 CD2 TRP 19 3.765 8.004 11.599 1.00 0.00 ATOM 144 CE2 TRP 19 3.249 9.305 11.515 1.00 0.00 ATOM 145 CE3 TRP 19 2.934 6.987 12.068 1.00 0.00 ATOM 146 NE1 TRP 19 4.239 10.105 11.020 1.00 0.00 ATOM 147 CZ2 TRP 19 1.938 9.616 11.871 1.00 0.00 ATOM 148 CZ3 TRP 19 1.644 7.299 12.424 1.00 0.00 ATOM 149 CH2 TRP 19 1.165 8.597 12.328 1.00 0.00 ATOM 150 O TRP 19 8.924 5.424 11.750 1.00 0.00 ATOM 151 C TRP 19 7.872 5.428 12.388 1.00 0.00 ATOM 152 N TRP 20 7.520 4.402 13.179 1.00 0.00 ATOM 153 CA TRP 20 8.366 3.215 13.321 1.00 0.00 ATOM 154 CB TRP 20 7.721 2.208 14.274 1.00 0.00 ATOM 155 CG TRP 20 8.534 0.964 14.471 1.00 0.00 ATOM 156 CD1 TRP 20 9.548 0.782 15.366 1.00 0.00 ATOM 157 CD2 TRP 20 8.398 -0.271 13.759 1.00 0.00 ATOM 158 CE2 TRP 20 9.364 -1.159 14.274 1.00 0.00 ATOM 159 CE3 TRP 20 7.555 -0.715 12.735 1.00 0.00 ATOM 160 NE1 TRP 20 10.054 -0.492 15.255 1.00 0.00 ATOM 161 CZ2 TRP 20 9.510 -2.461 13.800 1.00 0.00 ATOM 162 CZ3 TRP 20 7.703 -2.008 12.269 1.00 0.00 ATOM 163 CH2 TRP 20 8.671 -2.867 12.798 1.00 0.00 ATOM 164 O TRP 20 9.758 2.134 11.706 1.00 0.00 ATOM 165 C TRP 20 8.621 2.505 12.004 1.00 0.00 ATOM 166 N GLY 21 7.578 2.317 11.208 1.00 0.00 ATOM 167 CA GLY 21 7.750 1.644 9.932 1.00 0.00 ATOM 168 O GLY 21 8.484 3.730 9.016 1.00 0.00 ATOM 169 C GLY 21 8.449 2.507 8.900 1.00 0.00 ATOM 170 N LEU 22 9.005 1.851 7.892 1.00 0.00 ATOM 171 CA LEU 22 9.660 2.550 6.802 1.00 0.00 ATOM 172 CB LEU 22 10.231 1.551 5.808 1.00 0.00 ATOM 173 CG LEU 22 11.396 0.655 6.257 1.00 0.00 ATOM 174 CD1 LEU 22 12.331 1.436 7.162 1.00 0.00 ATOM 175 CD2 LEU 22 10.905 -0.601 6.950 1.00 0.00 ATOM 176 O LEU 22 7.536 2.662 5.645 1.00 0.00 ATOM 177 C LEU 22 8.501 3.267 6.125 1.00 0.00 ATOM 178 N PRO 23 8.446 4.662 6.135 1.00 0.00 ATOM 179 CA PRO 23 7.320 5.355 5.548 1.00 0.00 ATOM 180 CB PRO 23 6.843 6.290 6.658 1.00 0.00 ATOM 181 CG PRO 23 8.063 6.555 7.476 1.00 0.00 ATOM 182 CD PRO 23 8.865 5.283 7.450 1.00 0.00 ATOM 183 O PRO 23 8.794 6.765 4.298 1.00 0.00 ATOM 184 C PRO 23 7.757 6.110 4.314 1.00 0.00 ATOM 185 N CYS 24 6.943 6.016 3.281 1.00 0.00 ATOM 186 CA CYS 24 7.233 6.666 2.025 1.00 0.00 ATOM 187 CB CYS 24 7.457 5.634 0.925 1.00 0.00 ATOM 188 SG CYS 24 7.733 6.287 -0.737 1.00 0.00 ATOM 189 O CYS 24 4.888 6.990 1.730 1.00 0.00 ATOM 190 C CYS 24 6.014 7.448 1.578 1.00 0.00 ATOM 191 N THR 25 6.232 8.647 1.052 1.00 0.00 ATOM 192 CA THR 25 5.125 9.430 0.528 1.00 0.00 ATOM 193 CB THR 25 4.988 10.734 1.301 1.00 0.00 ATOM 194 CG2 THR 25 3.792 11.531 0.780 1.00 0.00 ATOM 195 OG1 THR 25 4.766 10.399 2.679 1.00 0.00 ATOM 196 O THR 25 6.540 10.170 -1.276 1.00 0.00 ATOM 197 C THR 25 5.437 9.708 -0.938 1.00 0.00 ATOM 198 N VAL 26 4.471 9.453 -1.806 1.00 0.00 ATOM 199 CA VAL 26 4.698 9.694 -3.217 1.00 0.00 ATOM 200 CB VAL 26 4.859 8.344 -3.942 1.00 0.00 ATOM 201 CG1 VAL 26 6.067 7.593 -3.406 1.00 0.00 ATOM 202 CG2 VAL 26 3.625 7.478 -3.738 1.00 0.00 ATOM 203 O VAL 26 2.421 10.384 -3.520 1.00 0.00 ATOM 204 C VAL 26 3.570 10.405 -3.944 1.00 0.00 ATOM 205 N THR 27 3.920 11.021 -5.068 1.00 0.00 ATOM 206 CA THR 27 2.929 11.671 -5.901 1.00 0.00 ATOM 207 CB THR 27 3.592 12.504 -7.015 1.00 0.00 ATOM 208 CG2 THR 27 4.544 13.529 -6.421 1.00 0.00 ATOM 209 OG1 THR 27 4.329 11.638 -7.888 1.00 0.00 ATOM 210 O THR 27 2.519 9.343 -6.313 1.00 0.00 ATOM 211 C THR 27 2.118 10.503 -6.453 1.00 0.00 ATOM 212 N PRO 28 0.989 10.794 -7.083 1.00 0.00 ATOM 213 CA PRO 28 0.148 9.735 -7.623 1.00 0.00 ATOM 214 CB PRO 28 -1.092 10.469 -8.133 1.00 0.00 ATOM 215 CG PRO 28 -0.625 11.865 -8.381 1.00 0.00 ATOM 216 CD PRO 28 0.396 12.156 -7.318 1.00 0.00 ATOM 217 O PRO 28 0.323 7.844 -9.081 1.00 0.00 ATOM 218 C PRO 28 0.792 8.934 -8.755 1.00 0.00 ATOM 219 N CYS 29 1.860 9.462 -9.355 1.00 0.00 ATOM 220 CA CYS 29 2.538 8.733 -10.421 1.00 0.00 ATOM 221 CB CYS 29 3.133 9.709 -11.438 1.00 0.00 ATOM 222 SG CYS 29 1.910 10.697 -12.331 1.00 0.00 ATOM 223 O CYS 29 4.514 7.370 -10.590 1.00 0.00 ATOM 224 C CYS 29 3.668 7.877 -9.857 1.00 0.00 ATOM 225 N PHE 30 3.625 7.678 -8.481 1.00 0.00 ATOM 226 CA PHE 30 4.610 6.868 -7.791 1.00 0.00 ATOM 227 CB PHE 30 4.408 5.342 -8.266 1.00 0.00 ATOM 228 CG PHE 30 3.217 4.625 -7.696 1.00 0.00 ATOM 229 CD1 PHE 30 2.429 5.201 -6.699 1.00 0.00 ATOM 230 CD2 PHE 30 2.883 3.357 -8.164 1.00 0.00 ATOM 231 CE1 PHE 30 1.330 4.522 -6.186 1.00 0.00 ATOM 232 CE2 PHE 30 1.789 2.678 -7.665 1.00 0.00 ATOM 233 CZ PHE 30 1.008 3.259 -6.668 1.00 0.00 ATOM 234 O PHE 30 6.852 6.926 -6.969 1.00 0.00 ATOM 235 C PHE 30 5.942 7.545 -7.525 1.00 0.00 ATOM 236 N GLY 31 6.079 8.810 -7.924 1.00 0.00 ATOM 237 CA GLY 31 7.330 9.510 -7.683 1.00 0.00 ATOM 238 O GLY 31 6.594 10.513 -5.632 1.00 0.00 ATOM 239 C GLY 31 7.444 9.827 -6.206 1.00 0.00 ATOM 240 N ALA 32 8.504 9.316 -5.600 1.00 0.00 ATOM 241 CA ALA 32 8.754 9.497 -4.177 1.00 0.00 ATOM 242 CB ALA 32 9.928 8.641 -3.732 1.00 0.00 ATOM 243 O ALA 32 10.015 11.544 -4.399 1.00 0.00 ATOM 244 C ALA 32 9.088 10.949 -3.827 1.00 0.00 ATOM 245 N ARG 33 8.342 11.514 -2.885 1.00 0.00 ATOM 246 CA ARG 33 8.582 12.892 -2.471 1.00 0.00 ATOM 247 CB ARG 33 7.245 13.694 -2.721 1.00 0.00 ATOM 248 CG ARG 33 7.337 15.224 -2.596 1.00 0.00 ATOM 249 CD ARG 33 5.939 15.854 -2.596 1.00 0.00 ATOM 250 NE ARG 33 5.268 15.728 -1.289 1.00 0.00 ATOM 251 CZ ARG 33 5.596 16.390 -0.182 1.00 0.00 ATOM 252 NH1 ARG 33 6.592 17.304 -0.168 1.00 0.00 ATOM 253 NH2 ARG 33 4.909 16.149 0.941 1.00 0.00 ATOM 254 O ARG 33 10.003 13.837 -0.769 1.00 0.00 ATOM 255 C ARG 33 9.198 12.956 -1.074 1.00 0.00 ATOM 256 N LEU 34 8.795 11.987 -0.214 1.00 0.00 ATOM 257 CA LEU 34 9.288 11.963 1.157 1.00 0.00 ATOM 258 CB LEU 34 8.160 12.329 2.123 1.00 0.00 ATOM 259 CG LEU 34 7.694 13.791 2.101 1.00 0.00 ATOM 260 CD1 LEU 34 6.728 14.037 3.220 1.00 0.00 ATOM 261 CD2 LEU 34 8.846 14.706 2.279 1.00 0.00 ATOM 262 O LEU 34 8.948 9.599 1.381 1.00 0.00 ATOM 263 C LEU 34 9.711 10.549 1.536 1.00 0.00 ATOM 264 N VAL 35 10.875 10.523 2.054 1.00 0.00 ATOM 265 CA VAL 35 11.436 9.254 2.527 1.00 0.00 ATOM 266 CB VAL 35 12.619 8.803 1.650 1.00 0.00 ATOM 267 CG1 VAL 35 13.140 7.451 2.111 1.00 0.00 ATOM 268 CG2 VAL 35 12.190 8.685 0.196 1.00 0.00 ATOM 269 O VAL 35 12.819 10.197 4.220 1.00 0.00 ATOM 270 C VAL 35 11.866 9.475 3.977 1.00 0.00 ATOM 271 N GLN 36 11.192 8.868 4.949 1.00 0.00 ATOM 272 CA GLN 36 11.582 9.126 6.330 1.00 0.00 ATOM 273 CB GLN 36 10.470 8.703 7.293 1.00 0.00 ATOM 274 CG GLN 36 9.169 9.467 7.112 1.00 0.00 ATOM 275 CD GLN 36 9.321 10.950 7.386 1.00 0.00 ATOM 276 OE1 GLN 36 9.843 11.348 8.428 1.00 0.00 ATOM 277 NE2 GLN 36 8.866 11.775 6.449 1.00 0.00 ATOM 278 O GLN 36 13.442 7.646 6.008 1.00 0.00 ATOM 279 C GLN 36 12.831 8.385 6.779 1.00 0.00 ATOM 280 N GLU 37 13.231 8.615 8.020 1.00 0.00 ATOM 281 CA GLU 37 14.436 8.000 8.572 1.00 0.00 ATOM 282 CB GLU 37 14.614 8.396 10.040 1.00 0.00 ATOM 283 CG GLU 37 15.002 9.852 10.247 1.00 0.00 ATOM 284 CD GLU 37 15.050 10.237 11.712 1.00 0.00 ATOM 285 OE1 GLU 37 14.709 9.389 12.562 1.00 0.00 ATOM 286 OE2 GLU 37 15.429 11.389 12.011 1.00 0.00 ATOM 287 O GLU 37 15.338 5.841 8.123 1.00 0.00 ATOM 288 C GLU 37 14.378 6.496 8.514 1.00 0.00 ATOM 289 N GLY 38 13.221 5.893 8.857 1.00 0.00 ATOM 290 CA GLY 38 13.090 4.459 8.833 1.00 0.00 ATOM 291 O GLY 38 13.932 2.857 7.290 1.00 0.00 ATOM 292 C GLY 38 13.286 3.890 7.448 1.00 0.00 ATOM 293 N ASN 39 12.683 4.556 6.503 1.00 0.00 ATOM 294 CA ASN 39 12.797 4.135 5.112 1.00 0.00 ATOM 295 CB ASN 39 11.942 5.000 4.197 1.00 0.00 ATOM 296 CG ASN 39 11.710 4.344 2.857 1.00 0.00 ATOM 297 ND2 ASN 39 12.227 4.949 1.797 1.00 0.00 ATOM 298 OD1 ASN 39 11.092 3.287 2.783 1.00 0.00 ATOM 299 O ASN 39 14.673 3.258 3.873 1.00 0.00 ATOM 300 C ASN 39 14.243 4.154 4.601 1.00 0.00 ATOM 301 N ARG 40 14.979 5.197 4.974 1.00 0.00 ATOM 302 CA ARG 40 16.376 5.330 4.591 1.00 0.00 ATOM 303 CB ARG 40 16.992 6.619 5.095 1.00 0.00 ATOM 304 CG ARG 40 18.516 6.673 4.920 1.00 0.00 ATOM 305 CD ARG 40 19.094 8.102 5.130 1.00 0.00 ATOM 306 NE ARG 40 18.675 8.729 6.386 1.00 0.00 ATOM 307 CZ ARG 40 19.154 8.423 7.589 1.00 0.00 ATOM 308 NH1 ARG 40 20.085 7.484 7.730 1.00 0.00 ATOM 309 NH2 ARG 40 18.706 9.069 8.656 1.00 0.00 ATOM 310 O ARG 40 17.935 3.514 4.373 1.00 0.00 ATOM 311 C ARG 40 17.158 4.127 5.112 1.00 0.00 ATOM 312 N LEU 41 16.916 3.765 6.366 1.00 0.00 ATOM 313 CA LEU 41 17.600 2.631 6.976 1.00 0.00 ATOM 314 CB LEU 41 17.337 2.596 8.485 1.00 0.00 ATOM 315 CG LEU 41 17.971 3.719 9.309 1.00 0.00 ATOM 316 CD1 LEU 41 17.488 3.668 10.749 1.00 0.00 ATOM 317 CD2 LEU 41 19.487 3.594 9.312 1.00 0.00 ATOM 318 O LEU 41 17.956 0.430 6.091 1.00 0.00 ATOM 319 C LEU 41 17.141 1.303 6.384 1.00 0.00 ATOM 320 N HIS 42 15.836 1.163 6.186 1.00 0.00 ATOM 321 CA HIS 42 15.280 -0.059 5.637 1.00 0.00 ATOM 322 CB HIS 42 13.904 0.033 5.255 1.00 0.00 ATOM 323 CG HIS 42 13.320 -1.272 4.810 1.00 0.00 ATOM 324 CD2 HIS 42 12.700 -1.621 3.659 1.00 0.00 ATOM 325 ND1 HIS 42 13.307 -2.394 5.612 1.00 0.00 ATOM 326 CE1 HIS 42 12.700 -3.378 4.971 1.00 0.00 ATOM 327 NE2 HIS 42 12.324 -2.937 3.783 1.00 0.00 ATOM 328 O HIS 42 16.168 -1.455 3.905 1.00 0.00 ATOM 329 C HIS 42 15.746 -0.344 4.213 1.00 0.00 ATOM 330 N TYR 43 15.674 0.662 3.348 1.00 0.00 ATOM 331 CA TYR 43 16.031 0.485 1.946 1.00 0.00 ATOM 332 CB TYR 43 14.811 1.353 1.202 1.00 0.00 ATOM 333 CG TYR 43 14.920 1.400 -0.305 1.00 0.00 ATOM 334 CD1 TYR 43 14.342 0.412 -1.094 1.00 0.00 ATOM 335 CD2 TYR 43 15.644 2.417 -0.940 1.00 0.00 ATOM 336 CE1 TYR 43 14.476 0.434 -2.485 1.00 0.00 ATOM 337 CE2 TYR 43 15.787 2.450 -2.328 1.00 0.00 ATOM 338 CZ TYR 43 15.201 1.458 -3.091 1.00 0.00 ATOM 339 OH TYR 43 15.332 1.486 -4.459 1.00 0.00 ATOM 340 O TYR 43 17.869 0.358 0.413 1.00 0.00 ATOM 341 C TYR 43 17.465 0.760 1.506 1.00 0.00 ATOM 342 N LEU 44 18.326 1.450 2.352 1.00 0.00 ATOM 343 CA LEU 44 19.705 1.765 2.020 1.00 0.00 ATOM 344 CB LEU 44 20.350 0.600 1.266 1.00 0.00 ATOM 345 CG LEU 44 20.367 -0.748 1.990 1.00 0.00 ATOM 346 CD1 LEU 44 20.938 -1.833 1.089 1.00 0.00 ATOM 347 CD2 LEU 44 21.222 -0.673 3.245 1.00 0.00 ATOM 348 O LEU 44 21.052 3.289 0.736 1.00 0.00 ATOM 349 C LEU 44 19.933 3.024 1.185 1.00 0.00 ATOM 350 N ALA 45 18.919 3.813 0.992 1.00 0.00 ATOM 351 CA ALA 45 19.004 5.048 0.229 1.00 0.00 ATOM 352 CB ALA 45 17.927 5.079 -0.844 1.00 0.00 ATOM 353 O ALA 45 17.755 6.412 1.764 1.00 0.00 ATOM 354 C ALA 45 18.737 6.305 1.041 1.00 0.00 ATOM 355 N ASP 46 19.668 7.261 0.902 1.00 0.00 ATOM 356 CA ASP 46 19.430 8.532 1.582 1.00 0.00 ATOM 357 CB ASP 46 20.637 9.447 1.356 1.00 0.00 ATOM 358 CG ASP 46 21.889 8.936 2.039 1.00 0.00 ATOM 359 OD1 ASP 46 21.781 7.992 2.851 1.00 0.00 ATOM 360 OD2 ASP 46 22.979 9.478 1.762 1.00 0.00 ATOM 361 O ASP 46 17.785 8.839 -0.127 1.00 0.00 ATOM 362 C ASP 46 18.130 9.114 1.017 1.00 0.00 ATOM 363 N ARG 47 17.395 9.899 1.791 1.00 0.00 ATOM 364 CA ARG 47 16.154 10.461 1.272 1.00 0.00 ATOM 365 CB ARG 47 15.459 11.290 2.376 1.00 0.00 ATOM 366 CG ARG 47 14.169 11.977 1.924 1.00 0.00 ATOM 367 CD ARG 47 13.491 12.705 3.075 1.00 0.00 ATOM 368 NE ARG 47 14.316 13.783 3.615 1.00 0.00 ATOM 369 CZ ARG 47 14.436 14.987 3.062 1.00 0.00 ATOM 370 NH1 ARG 47 13.779 15.281 1.950 1.00 0.00 ATOM 371 NH2 ARG 47 15.228 15.891 3.625 1.00 0.00 ATOM 372 O ARG 47 15.559 11.207 -0.946 1.00 0.00 ATOM 373 C ARG 47 16.359 11.264 -0.007 1.00 0.00 ATOM 374 N ALA 48 17.466 12.053 -0.105 1.00 0.00 ATOM 375 CA ALA 48 17.763 12.860 -1.279 1.00 0.00 ATOM 376 CB ALA 48 18.993 13.726 -1.058 1.00 0.00 ATOM 377 O ALA 48 17.714 12.306 -3.605 1.00 0.00 ATOM 378 C ALA 48 18.014 11.953 -2.474 1.00 0.00 ATOM 379 N GLY 49 18.469 10.738 -2.199 1.00 0.00 ATOM 380 CA GLY 49 18.765 9.767 -3.244 1.00 0.00 ATOM 381 O GLY 49 17.529 8.939 -5.132 1.00 0.00 ATOM 382 C GLY 49 17.544 9.132 -3.916 1.00 0.00 ATOM 383 N ILE 50 16.461 8.788 -3.104 1.00 0.00 ATOM 384 CA ILE 50 15.258 8.197 -3.685 1.00 0.00 ATOM 385 CB ILE 50 14.534 7.284 -2.678 1.00 0.00 ATOM 386 CG1 ILE 50 15.403 6.073 -2.335 1.00 0.00 ATOM 387 CG2 ILE 50 13.220 6.786 -3.259 1.00 0.00 ATOM 388 CD1 ILE 50 14.873 5.248 -1.184 1.00 0.00 ATOM 389 O ILE 50 13.420 8.906 -5.044 1.00 0.00 ATOM 390 C ILE 50 14.224 9.211 -4.162 1.00 0.00 ATOM 391 N ARG 51 14.192 10.388 -3.541 1.00 0.00 ATOM 392 CA ARG 51 13.224 11.397 -3.947 1.00 0.00 ATOM 393 CB ARG 51 13.473 12.711 -3.203 1.00 0.00 ATOM 394 CG ARG 51 12.427 13.782 -3.466 1.00 0.00 ATOM 395 CD ARG 51 12.726 15.051 -2.686 1.00 0.00 ATOM 396 NE ARG 51 11.721 16.085 -2.915 1.00 0.00 ATOM 397 CZ ARG 51 11.759 17.298 -2.372 1.00 0.00 ATOM 398 NH1 ARG 51 10.799 18.173 -2.638 1.00 0.00 ATOM 399 NH2 ARG 51 12.756 17.631 -1.565 1.00 0.00 ATOM 400 O ARG 51 14.446 11.642 -5.999 1.00 0.00 ATOM 401 C ARG 51 13.342 11.561 -5.463 1.00 0.00 ATOM 402 N GLY 52 12.252 11.610 -6.154 1.00 0.00 ATOM 403 CA GLY 52 12.267 11.776 -7.596 1.00 0.00 ATOM 404 O GLY 52 11.806 10.371 -9.463 1.00 0.00 ATOM 405 C GLY 52 12.193 10.442 -8.300 1.00 0.00 ATOM 406 N LEU 53 12.572 9.380 -7.600 1.00 0.00 ATOM 407 CA LEU 53 12.542 8.039 -8.165 1.00 0.00 ATOM 408 CB LEU 53 13.557 7.130 -7.469 1.00 0.00 ATOM 409 CG LEU 53 15.026 7.548 -7.578 1.00 0.00 ATOM 410 CD1 LEU 53 15.913 6.599 -6.789 1.00 0.00 ATOM 411 CD2 LEU 53 15.483 7.532 -9.028 1.00 0.00 ATOM 412 O LEU 53 10.419 7.916 -7.081 1.00 0.00 ATOM 413 C LEU 53 11.151 7.468 -7.956 1.00 0.00 ATOM 414 N PHE 54 10.828 6.417 -8.696 1.00 0.00 ATOM 415 CA PHE 54 9.520 5.796 -8.577 1.00 0.00 ATOM 416 CB PHE 54 9.085 5.201 -9.918 1.00 0.00 ATOM 417 CG PHE 54 8.873 6.203 -11.003 1.00 0.00 ATOM 418 CD1 PHE 54 7.636 6.882 -11.153 1.00 0.00 ATOM 419 CD2 PHE 54 9.898 6.454 -11.888 1.00 0.00 ATOM 420 CE1 PHE 54 7.498 7.847 -12.118 1.00 0.00 ATOM 421 CE2 PHE 54 9.760 7.385 -12.851 1.00 0.00 ATOM 422 CZ PHE 54 8.577 8.113 -12.971 1.00 0.00 ATOM 423 O PHE 54 10.464 4.086 -7.180 1.00 0.00 ATOM 424 C PHE 54 9.470 4.736 -7.485 1.00 0.00 ATOM 425 N SER 55 8.260 4.601 -6.895 1.00 0.00 ATOM 426 CA SER 55 8.100 3.616 -5.855 1.00 0.00 ATOM 427 CB SER 55 6.481 4.112 -5.370 1.00 0.00 ATOM 428 OG SER 55 5.704 3.088 -5.958 1.00 0.00 ATOM 429 O SER 55 8.493 1.258 -5.662 1.00 0.00 ATOM 430 C SER 55 8.357 2.220 -6.423 1.00 0.00 ATOM 431 N ASP 56 8.495 2.106 -7.742 1.00 0.00 ATOM 432 CA ASP 56 8.790 0.804 -8.361 1.00 0.00 ATOM 433 CB ASP 56 8.754 0.907 -9.896 1.00 0.00 ATOM 434 CG ASP 56 7.362 1.135 -10.444 1.00 0.00 ATOM 435 OD1 ASP 56 6.383 0.998 -9.681 1.00 0.00 ATOM 436 OD2 ASP 56 7.255 1.446 -11.651 1.00 0.00 ATOM 437 O ASP 56 10.323 -0.971 -7.954 1.00 0.00 ATOM 438 C ASP 56 10.130 0.241 -7.956 1.00 0.00 ATOM 439 N ALA 57 11.103 1.101 -7.626 1.00 0.00 ATOM 440 CA ALA 57 12.425 0.663 -7.207 1.00 0.00 ATOM 441 CB ALA 57 13.383 1.823 -6.988 1.00 0.00 ATOM 442 O ALA 57 13.327 -0.861 -5.617 1.00 0.00 ATOM 443 C ALA 57 12.381 -0.151 -5.925 1.00 0.00 ATOM 444 N ASP 58 11.295 -0.014 -5.164 1.00 0.00 ATOM 445 CA ASP 58 11.145 -0.722 -3.894 1.00 0.00 ATOM 446 CB ASP 58 10.064 0.461 -3.128 1.00 0.00 ATOM 447 CG ASP 58 10.227 1.009 -1.733 1.00 0.00 ATOM 448 OD1 ASP 58 10.041 0.280 -0.742 1.00 0.00 ATOM 449 OD2 ASP 58 10.538 2.218 -1.610 1.00 0.00 ATOM 450 O ASP 58 10.523 -2.870 -3.037 1.00 0.00 ATOM 451 C ASP 58 10.643 -2.159 -4.040 1.00 0.00 ATOM 452 N ALA 59 10.408 -2.602 -5.271 1.00 0.00 ATOM 453 CA ALA 59 9.892 -3.945 -5.490 1.00 0.00 ATOM 454 CB ALA 59 8.415 -3.889 -5.850 1.00 0.00 ATOM 455 O ALA 59 11.181 -4.091 -7.507 1.00 0.00 ATOM 456 C ALA 59 10.609 -4.689 -6.605 1.00 0.00 ATOM 457 N TYR 60 10.574 -6.020 -6.560 1.00 0.00 ATOM 458 CA TYR 60 11.221 -6.856 -7.572 1.00 0.00 ATOM 459 CB TYR 60 11.712 -8.162 -6.942 1.00 0.00 ATOM 460 CG TYR 60 12.809 -8.835 -7.733 1.00 0.00 ATOM 461 CD1 TYR 60 14.004 -8.178 -7.925 1.00 0.00 ATOM 462 CD2 TYR 60 12.696 -10.103 -8.293 1.00 0.00 ATOM 463 CE1 TYR 60 15.068 -8.727 -8.635 1.00 0.00 ATOM 464 CE2 TYR 60 13.747 -10.692 -9.010 1.00 0.00 ATOM 465 CZ TYR 60 14.937 -10.004 -9.181 1.00 0.00 ATOM 466 OH TYR 60 15.943 -10.575 -9.898 1.00 0.00 ATOM 467 O TYR 60 9.101 -6.633 -8.691 1.00 0.00 ATOM 468 C TYR 60 10.228 -7.122 -8.705 1.00 0.00 ATOM 469 N HIS 61 10.687 -8.004 -9.618 1.00 0.00 ATOM 470 CA HIS 61 9.871 -8.418 -10.735 1.00 0.00 ATOM 471 CB HIS 61 10.581 -9.594 -11.479 1.00 0.00 ATOM 472 CG HIS 61 9.695 -10.281 -12.465 1.00 0.00 ATOM 473 CD2 HIS 61 9.206 -9.857 -13.649 1.00 0.00 ATOM 474 ND1 HIS 61 9.200 -11.562 -12.280 1.00 0.00 ATOM 475 CE1 HIS 61 8.412 -11.854 -13.304 1.00 0.00 ATOM 476 NE2 HIS 61 8.430 -10.848 -14.162 1.00 0.00 ATOM 477 O HIS 61 7.575 -8.902 -11.169 1.00 0.00 ATOM 478 C HIS 61 8.528 -9.004 -10.371 1.00 0.00 ATOM 479 N LEU 62 8.397 -9.633 -9.217 1.00 0.00 ATOM 480 CA LEU 62 7.105 -10.174 -8.808 1.00 0.00 ATOM 481 CB LEU 62 7.238 -10.876 -7.454 1.00 0.00 ATOM 482 CG LEU 62 8.184 -12.087 -7.459 1.00 0.00 ATOM 483 CD1 LEU 62 8.173 -12.745 -6.085 1.00 0.00 ATOM 484 CD2 LEU 62 7.810 -13.060 -8.564 1.00 0.00 ATOM 485 O LEU 62 4.844 -9.409 -9.008 1.00 0.00 ATOM 486 C LEU 62 6.013 -9.127 -8.710 1.00 0.00 ATOM 487 N ASP 63 6.518 -7.683 -8.400 1.00 0.00 ATOM 488 CA ASP 63 5.670 -6.507 -8.284 1.00 0.00 ATOM 489 CB ASP 63 6.124 -6.171 -6.793 1.00 0.00 ATOM 490 CG ASP 63 6.127 -7.342 -5.889 1.00 0.00 ATOM 491 OD1 ASP 63 6.748 -8.357 -6.176 1.00 0.00 ATOM 492 OD2 ASP 63 5.395 -7.171 -4.784 1.00 0.00 ATOM 493 O ASP 63 5.247 -4.463 -9.457 1.00 0.00 ATOM 494 C ASP 63 6.091 -5.289 -9.090 1.00 0.00 ATOM 495 N GLN 64 7.396 -5.154 -9.315 1.00 0.00 ATOM 496 CA GLN 64 7.924 -3.985 -9.999 1.00 0.00 ATOM 497 CB GLN 64 9.405 -4.182 -10.331 1.00 0.00 ATOM 498 CG GLN 64 10.041 -3.008 -11.054 1.00 0.00 ATOM 499 CD GLN 64 11.515 -3.225 -11.337 1.00 0.00 ATOM 500 OE1 GLN 64 12.074 -4.271 -10.999 1.00 0.00 ATOM 501 NE2 GLN 64 12.149 -2.239 -11.959 1.00 0.00 ATOM 502 O GLN 64 6.945 -2.437 -11.548 1.00 0.00 ATOM 503 C GLN 64 7.343 -3.587 -11.351 1.00 0.00 ATOM 504 N ALA 65 7.292 -4.476 -12.281 1.00 0.00 ATOM 505 CA ALA 65 6.739 -4.181 -13.598 1.00 0.00 ATOM 506 CB ALA 65 7.055 -5.291 -14.590 1.00 0.00 ATOM 507 O ALA 65 4.675 -3.375 -14.469 1.00 0.00 ATOM 508 C ALA 65 5.235 -3.992 -13.579 1.00 0.00 ATOM 509 N PHE 66 4.580 -4.425 -12.517 1.00 0.00 ATOM 510 CA PHE 66 3.138 -4.281 -12.461 1.00 0.00 ATOM 511 CB PHE 66 2.510 -5.537 -11.852 1.00 0.00 ATOM 512 CG PHE 66 2.729 -6.781 -12.666 1.00 0.00 ATOM 513 CD1 PHE 66 3.036 -6.698 -14.013 1.00 0.00 ATOM 514 CD2 PHE 66 2.630 -8.031 -12.085 1.00 0.00 ATOM 515 CE1 PHE 66 3.238 -7.842 -14.762 1.00 0.00 ATOM 516 CE2 PHE 66 2.831 -9.176 -12.833 1.00 0.00 ATOM 517 CZ PHE 66 3.135 -9.085 -14.166 1.00 0.00 ATOM 518 O PHE 66 1.466 -2.826 -11.612 1.00 0.00 ATOM 519 C PHE 66 2.649 -3.125 -11.614 1.00 0.00 ATOM 520 N PRO 67 3.555 -2.470 -10.902 1.00 0.00 ATOM 521 CA PRO 67 3.169 -1.383 -10.004 1.00 0.00 ATOM 522 CB PRO 67 4.383 -0.950 -9.282 1.00 0.00 ATOM 523 CG PRO 67 5.497 -1.306 -10.173 1.00 0.00 ATOM 524 CD PRO 67 5.054 -2.447 -11.068 1.00 0.00 ATOM 525 O PRO 67 1.576 0.392 -10.076 1.00 0.00 ATOM 526 C PRO 67 2.507 -0.179 -10.656 1.00 0.00 ATOM 527 N LEU 68 3.017 0.255 -11.806 1.00 0.00 ATOM 528 CA LEU 68 2.418 1.385 -12.500 1.00 0.00 ATOM 529 CB LEU 68 3.116 1.623 -13.840 1.00 0.00 ATOM 530 CG LEU 68 4.552 2.148 -13.772 1.00 0.00 ATOM 531 CD1 LEU 68 5.183 2.165 -15.157 1.00 0.00 ATOM 532 CD2 LEU 68 4.580 3.565 -13.218 1.00 0.00 ATOM 533 O LEU 68 0.058 1.906 -12.548 1.00 0.00 ATOM 534 C LEU 68 0.944 1.064 -12.755 1.00 0.00 ATOM 535 N LEU 69 0.685 -0.160 -13.151 1.00 0.00 ATOM 536 CA LEU 69 -0.665 -0.628 -13.401 1.00 0.00 ATOM 537 CB LEU 69 -0.677 -2.049 -13.965 1.00 0.00 ATOM 538 CG LEU 69 -0.124 -2.222 -15.382 1.00 0.00 ATOM 539 CD1 LEU 69 -0.040 -3.694 -15.751 1.00 0.00 ATOM 540 CD2 LEU 69 -1.021 -1.526 -16.397 1.00 0.00 ATOM 541 O LEU 69 -2.700 -0.208 -12.252 1.00 0.00 ATOM 542 C LEU 69 -1.525 -0.612 -12.160 1.00 0.00 ATOM 543 N MET 70 -1.009 -1.021 -11.037 1.00 0.00 ATOM 544 CA MET 70 -1.801 -1.014 -9.774 1.00 0.00 ATOM 545 CB MET 70 -0.918 -1.544 -8.642 1.00 0.00 ATOM 546 CG MET 70 -0.569 -3.017 -8.765 1.00 0.00 ATOM 547 SD MET 70 0.578 -3.571 -7.488 1.00 0.00 ATOM 548 CE MET 70 -0.456 -3.456 -6.031 1.00 0.00 ATOM 549 O MET 70 -3.415 0.669 -9.110 1.00 0.00 ATOM 550 C MET 70 -2.254 0.380 -9.400 1.00 0.00 ATOM 551 N LYS 71 -1.346 1.353 -9.503 1.00 0.00 ATOM 552 CA LYS 71 -1.669 2.734 -9.210 1.00 0.00 ATOM 553 CB LYS 71 -0.583 3.706 -9.428 1.00 0.00 ATOM 554 CG LYS 71 -0.921 5.141 -9.077 1.00 0.00 ATOM 555 CD LYS 71 -1.110 5.337 -7.565 1.00 0.00 ATOM 556 CE LYS 71 -1.374 6.809 -7.221 1.00 0.00 ATOM 557 NZ LYS 71 -2.650 7.305 -7.836 1.00 0.00 ATOM 558 O LYS 71 -3.651 4.005 -9.767 1.00 0.00 ATOM 559 C LYS 71 -2.692 3.326 -10.171 1.00 0.00 ATOM 560 N GLN 72 -2.523 3.092 -11.485 1.00 0.00 ATOM 561 CA GLN 72 -3.444 3.607 -12.477 1.00 0.00 ATOM 562 CB GLN 72 -2.993 3.177 -13.875 1.00 0.00 ATOM 563 CG GLN 72 -1.744 3.888 -14.369 1.00 0.00 ATOM 564 CD GLN 72 -1.261 3.357 -15.705 1.00 0.00 ATOM 565 OE1 GLN 72 -1.808 2.387 -16.232 1.00 0.00 ATOM 566 NE2 GLN 72 -0.234 3.991 -16.257 1.00 0.00 ATOM 567 O GLN 72 -5.850 3.818 -12.356 1.00 0.00 ATOM 568 C GLN 72 -4.853 3.064 -12.249 1.00 0.00 ATOM 569 N LEU 73 -4.915 1.787 -11.888 1.00 0.00 ATOM 570 CA LEU 73 -6.200 1.146 -11.583 1.00 0.00 ATOM 571 CB LEU 73 -5.997 -0.338 -11.273 1.00 0.00 ATOM 572 CG LEU 73 -5.537 -1.217 -12.435 1.00 0.00 ATOM 573 CD1 LEU 73 -5.201 -2.619 -11.950 1.00 0.00 ATOM 574 CD2 LEU 73 -6.626 -1.328 -13.490 1.00 0.00 ATOM 575 O LEU 73 -8.109 2.095 -10.417 1.00 0.00 ATOM 576 C LEU 73 -6.905 1.809 -10.397 1.00 0.00 ATOM 577 N GLU 74 -6.151 2.050 -9.318 1.00 0.00 ATOM 578 CA GLU 74 -6.731 2.694 -8.150 1.00 0.00 ATOM 579 CB GLU 74 -5.715 2.750 -7.006 1.00 0.00 ATOM 580 CG GLU 74 -5.393 1.395 -6.396 1.00 0.00 ATOM 581 CD GLU 74 -4.294 1.474 -5.354 1.00 0.00 ATOM 582 OE1 GLU 74 -3.736 2.574 -5.161 1.00 0.00 ATOM 583 OE2 GLU 74 -3.993 0.435 -4.730 1.00 0.00 ATOM 584 O GLU 74 -8.235 4.585 -7.982 1.00 0.00 ATOM 585 C GLU 74 -7.182 4.134 -8.448 1.00 0.00 ATOM 586 N LEU 75 -6.403 4.839 -9.262 1.00 0.00 ATOM 587 CA LEU 75 -6.729 6.213 -9.631 1.00 0.00 ATOM 588 CB LEU 75 -5.595 6.836 -10.419 1.00 0.00 ATOM 589 CG LEU 75 -5.802 8.270 -10.907 1.00 0.00 ATOM 590 CD1 LEU 75 -5.763 9.197 -9.723 1.00 0.00 ATOM 591 CD2 LEU 75 -4.733 8.668 -11.920 1.00 0.00 ATOM 592 O LEU 75 -8.917 7.009 -10.207 1.00 0.00 ATOM 593 C LEU 75 -8.029 6.186 -10.423 1.00 0.00 ATOM 594 N MET 76 -8.157 5.234 -11.313 1.00 0.00 ATOM 595 CA MET 76 -9.348 5.106 -12.142 1.00 0.00 ATOM 596 CB MET 76 -9.096 4.119 -13.284 1.00 0.00 ATOM 597 CG MET 76 -8.061 4.589 -14.291 1.00 0.00 ATOM 598 SD MET 76 -8.525 6.133 -15.098 1.00 0.00 ATOM 599 CE MET 76 -9.918 5.592 -16.088 1.00 0.00 ATOM 600 O MET 76 -11.709 5.033 -11.761 1.00 0.00 ATOM 601 C MET 76 -10.597 4.618 -11.436 1.00 0.00 ATOM 602 N LEU 77 -10.412 3.719 -10.481 1.00 0.00 ATOM 603 CA LEU 77 -11.543 3.108 -9.799 1.00 0.00 ATOM 604 CB LEU 77 -11.357 1.594 -9.685 1.00 0.00 ATOM 605 CG LEU 77 -11.262 0.822 -11.003 1.00 0.00 ATOM 606 CD1 LEU 77 -10.979 -0.650 -10.746 1.00 0.00 ATOM 607 CD2 LEU 77 -12.563 0.927 -11.784 1.00 0.00 ATOM 608 O LEU 77 -13.015 3.611 -7.979 1.00 0.00 ATOM 609 C LEU 77 -11.848 3.555 -8.370 1.00 0.00 ATOM 610 N THR 78 -10.809 3.897 -7.606 1.00 0.00 ATOM 611 CA THR 78 -11.002 4.283 -6.218 1.00 0.00 ATOM 612 CB THR 78 -12.263 5.149 -6.042 1.00 0.00 ATOM 613 CG2 THR 78 -12.269 6.291 -7.046 1.00 0.00 ATOM 614 OG1 THR 78 -13.430 4.344 -6.248 1.00 0.00 ATOM 615 O THR 78 -11.371 3.081 -4.171 1.00 0.00 ATOM 616 C THR 78 -11.087 3.018 -5.368 1.00 0.00 ATOM 617 N SER 79 -10.828 1.852 -6.084 1.00 0.00 ATOM 618 CA SER 79 -10.886 0.561 -5.411 1.00 0.00 ATOM 619 CB SER 79 -11.063 -0.454 -6.542 1.00 0.00 ATOM 620 OG SER 79 -11.076 -1.778 -6.040 1.00 0.00 ATOM 621 O SER 79 -8.567 -0.038 -5.167 1.00 0.00 ATOM 622 C SER 79 -9.640 0.193 -4.611 1.00 0.00 ATOM 623 N GLY 80 -9.801 0.117 -3.299 1.00 0.00 ATOM 624 CA GLY 80 -8.700 -0.237 -2.423 1.00 0.00 ATOM 625 O GLY 80 -9.252 -2.573 -2.288 1.00 0.00 ATOM 626 C GLY 80 -8.403 -1.726 -2.581 1.00 0.00 ATOM 627 N GLU 81 -7.204 -2.039 -3.066 1.00 0.00 ATOM 628 CA GLU 81 -6.788 -3.424 -3.250 1.00 0.00 ATOM 629 CB GLU 81 -6.125 -3.600 -4.616 1.00 0.00 ATOM 630 CG GLU 81 -7.033 -3.286 -5.793 1.00 0.00 ATOM 631 CD GLU 81 -6.341 -3.469 -7.130 1.00 0.00 ATOM 632 OE1 GLU 81 -5.147 -3.834 -7.135 1.00 0.00 ATOM 633 OE2 GLU 81 -6.993 -3.245 -8.172 1.00 0.00 ATOM 634 O GLU 81 -5.745 -4.805 -1.544 1.00 0.00 ATOM 635 C GLU 81 -5.852 -3.677 -2.056 1.00 0.00 ATOM 636 N LEU 82 -5.025 -2.622 -1.643 1.00 0.00 ATOM 637 CA LEU 82 -4.027 -2.752 -0.594 1.00 0.00 ATOM 638 CB LEU 82 -2.620 -2.725 -1.245 1.00 0.00 ATOM 639 CG LEU 82 -1.401 -2.814 -0.319 1.00 0.00 ATOM 640 CD1 LEU 82 -1.420 -4.135 0.452 1.00 0.00 ATOM 641 CD2 LEU 82 -0.130 -2.702 -1.158 1.00 0.00 ATOM 642 O LEU 82 -3.825 -1.894 1.649 1.00 0.00 ATOM 643 C LEU 82 -4.259 -1.699 0.514 1.00 0.00 ATOM 644 N ASN 83 -4.969 -0.610 0.201 1.00 0.00 ATOM 645 CA ASN 83 -5.263 0.441 1.198 1.00 0.00 ATOM 646 CB ASN 83 -5.658 1.725 0.454 1.00 0.00 ATOM 647 CG ASN 83 -4.592 2.190 -0.502 1.00 0.00 ATOM 648 ND2 ASN 83 -4.902 2.210 -1.792 1.00 0.00 ATOM 649 OD1 ASN 83 -3.490 2.492 -0.075 1.00 0.00 ATOM 650 O ASN 83 -7.358 -0.637 1.760 1.00 0.00 ATOM 651 C ASN 83 -6.373 -0.005 2.163 1.00 0.00 ATOM 652 N PRO 84 -6.312 0.344 3.601 1.00 0.00 ATOM 653 CA PRO 84 -7.281 -0.063 4.601 1.00 0.00 ATOM 654 CB PRO 84 -8.575 0.504 4.262 1.00 0.00 ATOM 655 CG PRO 84 -8.437 0.971 2.841 1.00 0.00 ATOM 656 CD PRO 84 -7.019 1.450 2.766 1.00 0.00 ATOM 657 O PRO 84 -7.189 -2.022 5.980 1.00 0.00 ATOM 658 C PRO 84 -6.971 -1.533 4.870 1.00 0.00 ATOM 659 N ARG 85 -6.472 -2.241 3.864 1.00 0.00 ATOM 660 CA ARG 85 -6.152 -3.655 4.022 1.00 0.00 ATOM 661 CB ARG 85 -6.852 -4.283 2.815 1.00 0.00 ATOM 662 CG ARG 85 -8.366 -4.150 2.837 1.00 0.00 ATOM 663 CD ARG 85 -8.987 -4.682 1.556 1.00 0.00 ATOM 664 NE ARG 85 -8.677 -6.094 1.344 1.00 0.00 ATOM 665 CZ ARG 85 -8.628 -6.678 0.152 1.00 0.00 ATOM 666 NH1 ARG 85 -8.336 -7.967 0.055 1.00 0.00 ATOM 667 NH2 ARG 85 -8.869 -5.970 -0.943 1.00 0.00 ATOM 668 O ARG 85 -4.164 -4.297 2.857 1.00 0.00 ATOM 669 C ARG 85 -4.664 -3.980 3.939 1.00 0.00 ATOM 670 N HIS 86 -3.935 -3.816 5.038 1.00 0.00 ATOM 671 CA HIS 86 -2.500 -4.123 5.038 1.00 0.00 ATOM 672 CB HIS 86 -1.922 -3.972 6.447 1.00 0.00 ATOM 673 CG HIS 86 -2.455 -4.968 7.429 1.00 0.00 ATOM 674 CD2 HIS 86 -1.979 -6.221 8.000 1.00 0.00 ATOM 675 ND1 HIS 86 -3.681 -4.826 8.045 1.00 0.00 ATOM 676 CE1 HIS 86 -3.882 -5.870 8.867 1.00 0.00 ATOM 677 NE2 HIS 86 -2.865 -6.710 8.844 1.00 0.00 ATOM 678 O HIS 86 -3.209 -6.417 4.867 1.00 0.00 ATOM 679 C HIS 86 -2.327 -5.582 4.611 1.00 0.00 ATOM 680 N GLN 87 -1.212 -5.871 3.943 1.00 0.00 ATOM 681 CA GLN 87 -0.963 -7.213 3.420 1.00 0.00 ATOM 682 CB GLN 87 -1.427 -7.308 1.964 1.00 0.00 ATOM 683 CG GLN 87 -2.927 -7.207 1.752 1.00 0.00 ATOM 684 CD GLN 87 -3.349 -7.791 0.417 1.00 0.00 ATOM 685 OE1 GLN 87 -3.181 -8.988 0.173 1.00 0.00 ATOM 686 NE2 GLN 87 -3.892 -6.952 -0.458 1.00 0.00 ATOM 687 O GLN 87 1.246 -6.830 4.210 1.00 0.00 ATOM 688 C GLN 87 0.488 -7.629 3.684 1.00 0.00 ATOM 689 N HIS 88 0.856 -8.821 2.984 1.00 0.00 ATOM 690 CA HIS 88 2.261 -9.240 2.986 1.00 0.00 ATOM 691 CB HIS 88 2.400 -10.565 3.749 1.00 0.00 ATOM 692 CG HIS 88 3.807 -10.905 4.110 1.00 0.00 ATOM 693 CD2 HIS 88 4.452 -10.866 5.297 1.00 0.00 ATOM 694 ND1 HIS 88 4.732 -11.324 3.174 1.00 0.00 ATOM 695 CE1 HIS 88 5.886 -11.526 3.782 1.00 0.00 ATOM 696 NE2 HIS 88 5.734 -11.287 5.074 1.00 0.00 ATOM 697 O HIS 88 2.140 -9.925 0.684 1.00 0.00 ATOM 698 C HIS 88 2.750 -9.291 1.539 1.00 0.00 ATOM 699 N THR 89 3.849 -8.597 1.277 1.00 0.00 ATOM 700 CA THR 89 4.469 -8.590 -0.040 1.00 0.00 ATOM 701 CB THR 89 4.090 -7.336 -0.847 1.00 0.00 ATOM 702 CG2 THR 89 4.696 -6.092 -0.215 1.00 0.00 ATOM 703 OG1 THR 89 4.579 -7.460 -2.189 1.00 0.00 ATOM 704 O THR 89 6.365 -9.065 1.348 1.00 0.00 ATOM 705 C THR 89 5.966 -8.628 0.268 1.00 0.00 ATOM 706 N VAL 90 6.792 -8.155 -0.654 1.00 0.00 ATOM 707 CA VAL 90 8.233 -8.116 -0.417 1.00 0.00 ATOM 708 CB VAL 90 8.945 -9.342 -1.002 1.00 0.00 ATOM 709 CG1 VAL 90 8.419 -10.659 -0.357 1.00 0.00 ATOM 710 CG2 VAL 90 8.848 -9.402 -2.513 1.00 0.00 ATOM 711 O VAL 90 8.341 -6.254 -1.927 1.00 0.00 ATOM 712 C VAL 90 8.823 -6.809 -0.939 1.00 0.00 ATOM 713 N THR 91 9.862 -6.336 -0.282 1.00 0.00 ATOM 714 CA THR 91 10.498 -5.086 -0.677 1.00 0.00 ATOM 715 CB THR 91 10.609 -4.066 0.470 1.00 0.00 ATOM 716 CG2 THR 91 9.236 -3.766 1.051 1.00 0.00 ATOM 717 OG1 THR 91 11.444 -4.598 1.506 1.00 0.00 ATOM 718 O THR 91 12.395 -6.542 -0.856 1.00 0.00 ATOM 719 C THR 91 11.891 -5.455 -1.158 1.00 0.00 ATOM 720 N LEU 92 12.547 -4.542 -1.864 1.00 0.00 ATOM 721 CA LEU 92 13.887 -4.802 -2.362 1.00 0.00 ATOM 722 CB LEU 92 13.870 -4.756 -3.902 1.00 0.00 ATOM 723 CG LEU 92 15.245 -4.923 -4.542 1.00 0.00 ATOM 724 CD1 LEU 92 15.736 -6.361 -4.391 1.00 0.00 ATOM 725 CD2 LEU 92 15.206 -4.504 -6.004 1.00 0.00 ATOM 726 O LEU 92 14.436 -2.490 -2.248 1.00 0.00 ATOM 727 C LEU 92 14.779 -3.638 -1.995 1.00 0.00 ATOM 728 N TYR 93 15.831 -4.010 -1.563 1.00 0.00 ATOM 729 CA TYR 93 16.786 -3.039 -1.036 1.00 0.00 ATOM 730 CB TYR 93 17.779 -3.685 -0.093 1.00 0.00 ATOM 731 CG TYR 93 17.266 -3.882 1.304 1.00 0.00 ATOM 732 CD1 TYR 93 18.146 -4.226 2.333 1.00 0.00 ATOM 733 CD2 TYR 93 15.908 -3.743 1.611 1.00 0.00 ATOM 734 CE1 TYR 93 17.699 -4.426 3.623 1.00 0.00 ATOM 735 CE2 TYR 93 15.445 -3.942 2.910 1.00 0.00 ATOM 736 CZ TYR 93 16.358 -4.284 3.911 1.00 0.00 ATOM 737 OH TYR 93 15.943 -4.468 5.205 1.00 0.00 ATOM 738 O TYR 93 17.814 -3.202 -3.188 1.00 0.00 ATOM 739 C TYR 93 17.759 -2.611 -2.112 1.00 0.00 ATOM 740 N ALA 94 18.508 -1.555 -1.824 1.00 0.00 ATOM 741 CA ALA 94 19.501 -1.065 -2.768 1.00 0.00 ATOM 742 CB ALA 94 20.260 0.113 -2.176 1.00 0.00 ATOM 743 O ALA 94 20.962 -2.277 -4.227 1.00 0.00 ATOM 744 C ALA 94 20.492 -2.184 -3.102 1.00 0.00 ATOM 745 N LYS 95 20.821 -3.025 -2.123 1.00 0.00 ATOM 746 CA LYS 95 21.780 -4.105 -2.371 1.00 0.00 ATOM 747 CB LYS 95 22.252 -4.713 -1.048 1.00 0.00 ATOM 748 CG LYS 95 23.038 -3.753 -0.169 1.00 0.00 ATOM 749 CD LYS 95 23.503 -4.429 1.109 1.00 0.00 ATOM 750 CE LYS 95 24.286 -3.469 1.989 1.00 0.00 ATOM 751 NZ LYS 95 24.739 -4.115 3.252 1.00 0.00 ATOM 752 O LYS 95 21.984 -6.116 -3.668 1.00 0.00 ATOM 753 C LYS 95 21.275 -5.156 -3.360 1.00 0.00 ATOM 754 N GLY 96 20.060 -4.965 -3.866 1.00 0.00 ATOM 755 CA GLY 96 19.497 -5.915 -4.805 1.00 0.00 ATOM 756 O GLY 96 18.239 -7.936 -4.559 1.00 0.00 ATOM 757 C GLY 96 18.901 -7.056 -4.002 1.00 0.00 ATOM 758 N LEU 97 19.114 -7.048 -2.714 1.00 0.00 ATOM 759 CA LEU 97 18.577 -8.086 -1.838 1.00 0.00 ATOM 760 CB LEU 97 19.295 -8.135 -0.487 1.00 0.00 ATOM 761 CG LEU 97 20.768 -8.549 -0.517 1.00 0.00 ATOM 762 CD1 LEU 97 21.387 -8.432 0.868 1.00 0.00 ATOM 763 CD2 LEU 97 20.913 -9.989 -0.983 1.00 0.00 ATOM 764 O LEU 97 16.642 -6.654 -1.813 1.00 0.00 ATOM 765 C LEU 97 17.077 -7.793 -1.616 1.00 0.00 ATOM 766 N THR 98 16.357 -8.785 -1.255 1.00 0.00 ATOM 767 CA THR 98 14.913 -8.634 -1.003 1.00 0.00 ATOM 768 CB THR 98 14.066 -9.512 -1.942 1.00 0.00 ATOM 769 CG2 THR 98 14.371 -9.186 -3.397 1.00 0.00 ATOM 770 OG1 THR 98 14.359 -10.894 -1.705 1.00 0.00 ATOM 771 O THR 98 15.336 -9.740 1.085 1.00 0.00 ATOM 772 C THR 98 14.576 -9.029 0.429 1.00 0.00 ATOM 773 N CYS 99 13.418 -8.582 0.901 1.00 0.00 ATOM 774 CA CYS 99 12.984 -8.910 2.240 1.00 0.00 ATOM 775 CB CYS 99 13.449 -7.836 3.227 1.00 0.00 ATOM 776 SG CYS 99 13.004 -8.160 4.947 1.00 0.00 ATOM 777 O CYS 99 10.809 -8.009 1.872 1.00 0.00 ATOM 778 C CYS 99 11.479 -8.941 2.318 1.00 0.00 ATOM 779 N LYS 100 10.926 -9.949 3.007 1.00 0.00 ATOM 780 CA LYS 100 9.475 -10.030 3.128 1.00 0.00 ATOM 781 CB LYS 100 9.075 -11.349 3.794 1.00 0.00 ATOM 782 CG LYS 100 9.423 -12.584 2.978 1.00 0.00 ATOM 783 CD LYS 100 8.983 -13.854 3.689 1.00 0.00 ATOM 784 CE LYS 100 9.314 -15.088 2.865 1.00 0.00 ATOM 785 NZ LYS 100 8.903 -16.343 3.554 1.00 0.00 ATOM 786 O LYS 100 9.713 -8.446 4.903 1.00 0.00 ATOM 787 C LYS 100 9.024 -8.847 3.963 1.00 0.00 ATOM 788 N ALA 101 7.852 -8.311 3.663 1.00 0.00 ATOM 789 CA ALA 101 7.395 -7.140 4.397 1.00 0.00 ATOM 790 CB ALA 101 7.951 -5.877 3.758 1.00 0.00 ATOM 791 O ALA 101 5.197 -7.563 3.541 1.00 0.00 ATOM 792 C ALA 101 5.892 -7.029 4.414 1.00 0.00 ATOM 793 N ASP 102 5.380 -6.355 5.432 1.00 0.00 ATOM 794 CA ASP 102 3.954 -6.101 5.481 1.00 0.00 ATOM 795 CB ASP 102 3.406 -6.113 6.890 1.00 0.00 ATOM 796 CG ASP 102 3.139 -7.508 7.368 1.00 0.00 ATOM 797 OD1 ASP 102 2.175 -8.184 7.024 1.00 0.00 ATOM 798 OD2 ASP 102 4.004 -7.915 8.267 1.00 0.00 ATOM 799 O ASP 102 4.685 -3.813 5.272 1.00 0.00 ATOM 800 C ASP 102 3.845 -4.665 4.963 1.00 0.00 ATOM 801 N THR 103 2.837 -4.419 4.142 1.00 0.00 ATOM 802 CA THR 103 2.614 -3.099 3.580 1.00 0.00 ATOM 803 CB THR 103 2.791 -3.112 2.050 1.00 0.00 ATOM 804 CG2 THR 103 2.571 -1.719 1.478 1.00 0.00 ATOM 805 OG1 THR 103 4.117 -3.544 1.724 1.00 0.00 ATOM 806 O THR 103 0.241 -3.338 3.672 1.00 0.00 ATOM 807 C THR 103 1.211 -2.605 3.860 1.00 0.00 ATOM 808 N LEU 104 1.117 -1.360 4.321 1.00 0.00 ATOM 809 CA LEU 104 -0.159 -0.708 4.567 1.00 0.00 ATOM 810 CB LEU 104 -0.322 -0.423 6.062 1.00 0.00 ATOM 811 CG LEU 104 -1.596 0.315 6.476 1.00 0.00 ATOM 812 CD1 LEU 104 -2.823 -0.551 6.235 1.00 0.00 ATOM 813 CD2 LEU 104 -1.551 0.679 7.952 1.00 0.00 ATOM 814 O LEU 104 0.986 1.205 3.708 1.00 0.00 ATOM 815 C LEU 104 -0.067 0.574 3.751 1.00 0.00 ATOM 816 N SER 105 -1.082 0.870 2.961 1.00 0.00 ATOM 817 CA SER 105 -1.039 2.094 2.183 1.00 0.00 ATOM 818 CB SER 105 -1.066 1.772 0.687 1.00 0.00 ATOM 819 OG SER 105 0.103 1.070 0.297 1.00 0.00 ATOM 820 O SER 105 -3.308 2.485 2.890 1.00 0.00 ATOM 821 C SER 105 -2.238 2.972 2.531 1.00 0.00 ATOM 822 N SER 106 -2.016 4.278 2.501 1.00 0.00 ATOM 823 CA SER 106 -3.064 5.222 2.811 1.00 0.00 ATOM 824 CB SER 106 -2.880 5.804 4.214 1.00 0.00 ATOM 825 OG SER 106 -1.698 6.580 4.292 1.00 0.00 ATOM 826 O SER 106 -2.017 6.409 1.024 1.00 0.00 ATOM 827 C SER 106 -2.977 6.337 1.800 1.00 0.00 ATOM 828 N CYS 107 -3.906 7.273 1.878 1.00 0.00 ATOM 829 CA CYS 107 -3.917 8.387 0.946 1.00 0.00 ATOM 830 CB CYS 107 -5.168 8.319 0.051 1.00 0.00 ATOM 831 SG CYS 107 -5.320 6.813 -0.971 1.00 0.00 ATOM 832 O CYS 107 -4.718 9.971 2.542 1.00 0.00 ATOM 833 C CYS 107 -4.018 9.769 1.551 1.00 0.00 ATOM 834 N ASP 108 -3.317 10.817 0.848 1.00 0.00 ATOM 835 CA ASP 108 -3.402 12.187 1.307 1.00 0.00 ATOM 836 CB ASP 108 -2.752 13.084 0.654 1.00 0.00 ATOM 837 CG ASP 108 -3.053 14.506 1.090 1.00 0.00 ATOM 838 OD1 ASP 108 -3.362 14.680 2.297 1.00 0.00 ATOM 839 OD2 ASP 108 -2.971 15.412 0.230 1.00 0.00 ATOM 840 O ASP 108 -5.768 12.073 1.331 1.00 0.00 ATOM 841 C ASP 108 -4.758 12.616 1.795 1.00 0.00 ATOM 842 N TYR 109 -4.983 12.239 -0.376 1.00 0.00 ATOM 843 CA TYR 109 -5.631 11.362 -1.358 1.00 0.00 ATOM 844 CB TYR 109 -6.962 11.838 -1.763 1.00 0.00 ATOM 845 CG TYR 109 -7.586 10.890 -2.768 1.00 0.00 ATOM 846 CD1 TYR 109 -8.178 9.712 -2.348 1.00 0.00 ATOM 847 CD2 TYR 109 -7.556 11.163 -4.137 1.00 0.00 ATOM 848 CE1 TYR 109 -8.737 8.825 -3.246 1.00 0.00 ATOM 849 CE2 TYR 109 -8.145 10.303 -5.048 1.00 0.00 ATOM 850 CZ TYR 109 -8.701 9.097 -4.604 1.00 0.00 ATOM 851 OH TYR 109 -9.279 8.188 -5.501 1.00 0.00 ATOM 852 O TYR 109 -4.536 10.139 -3.142 1.00 0.00 ATOM 853 C TYR 109 -4.820 11.249 -2.658 1.00 0.00 ATOM 854 N VAL 110 -4.429 12.393 -3.207 1.00 0.00 ATOM 855 CA VAL 110 -3.602 12.412 -4.410 1.00 0.00 ATOM 856 CB VAL 110 -3.359 13.865 -4.927 1.00 0.00 ATOM 857 CG1 VAL 110 -2.180 13.945 -5.935 1.00 0.00 ATOM 858 CG2 VAL 110 -4.656 14.444 -5.525 1.00 0.00 ATOM 859 O VAL 110 -1.936 10.730 -4.788 1.00 0.00 ATOM 860 C VAL 110 -2.318 11.678 -4.101 1.00 0.00 ATOM 861 N TYR 111 -1.648 12.119 -3.060 1.00 0.00 ATOM 862 CA TYR 111 -0.389 11.519 -2.681 1.00 0.00 ATOM 863 CB TYR 111 0.435 12.347 -1.699 1.00 0.00 ATOM 864 CG TYR 111 0.832 13.719 -2.184 1.00 0.00 ATOM 865 CD1 TYR 111 2.070 13.938 -2.786 1.00 0.00 ATOM 866 CD2 TYR 111 -0.023 14.810 -2.011 1.00 0.00 ATOM 867 CE1 TYR 111 2.453 15.218 -3.200 1.00 0.00 ATOM 868 CE2 TYR 111 0.350 16.089 -2.422 1.00 0.00 ATOM 869 CZ TYR 111 1.585 16.285 -3.011 1.00 0.00 ATOM 870 OH TYR 111 1.950 17.557 -3.398 1.00 0.00 ATOM 871 O TYR 111 -1.709 10.069 -1.300 1.00 0.00 ATOM 872 C TYR 111 -0.696 10.201 -1.984 1.00 0.00 ATOM 873 N LEU 112 0.156 9.213 -2.203 1.00 0.00 ATOM 874 CA LEU 112 -0.016 7.909 -1.583 1.00 0.00 ATOM 875 CB LEU 112 0.307 6.802 -2.583 1.00 0.00 ATOM 876 CG LEU 112 0.327 5.381 -2.023 1.00 0.00 ATOM 877 CD1 LEU 112 -1.103 4.923 -1.702 1.00 0.00 ATOM 878 CD2 LEU 112 1.032 4.452 -2.987 1.00 0.00 ATOM 879 O LEU 112 2.149 8.314 -0.644 1.00 0.00 ATOM 880 C LEU 112 1.034 7.811 -0.491 1.00 0.00 ATOM 881 N ALA 113 0.664 7.216 0.638 1.00 0.00 ATOM 882 CA ALA 113 1.609 7.012 1.731 1.00 0.00 ATOM 883 CB ALA 113 1.100 7.679 3.000 1.00 0.00 ATOM 884 O ALA 113 0.720 4.805 1.985 1.00 0.00 ATOM 885 C ALA 113 1.725 5.514 1.980 1.00 0.00 ATOM 886 N VAL 114 2.945 5.018 2.117 1.00 0.00 ATOM 887 CA VAL 114 3.094 3.598 2.374 1.00 0.00 ATOM 888 CB VAL 114 3.887 2.968 1.214 1.00 0.00 ATOM 889 CG1 VAL 114 4.082 1.477 1.449 1.00 0.00 ATOM 890 CG2 VAL 114 3.149 3.156 -0.102 1.00 0.00 ATOM 891 O VAL 114 4.826 4.058 3.931 1.00 0.00 ATOM 892 C VAL 114 3.844 3.365 3.658 1.00 0.00 ATOM 893 N TYR 115 3.362 2.424 4.464 1.00 0.00 ATOM 894 CA TYR 115 3.986 2.089 5.739 1.00 0.00 ATOM 895 CB TYR 115 2.957 2.409 6.786 1.00 0.00 ATOM 896 CG TYR 115 3.507 2.408 8.156 1.00 0.00 ATOM 897 CD1 TYR 115 4.087 3.560 8.694 1.00 0.00 ATOM 898 CD2 TYR 115 3.458 1.258 8.928 1.00 0.00 ATOM 899 CE1 TYR 115 4.551 3.577 9.979 1.00 0.00 ATOM 900 CE2 TYR 115 3.949 1.243 10.196 1.00 0.00 ATOM 901 CZ TYR 115 4.508 2.407 10.719 1.00 0.00 ATOM 902 OH TYR 115 4.989 2.411 11.989 1.00 0.00 ATOM 903 O TYR 115 3.775 -0.238 5.272 1.00 0.00 ATOM 904 C TYR 115 4.517 0.679 5.626 1.00 0.00 ATOM 905 N PRO 116 5.880 0.411 5.773 1.00 0.00 ATOM 906 CA PRO 116 6.514 -0.877 5.576 1.00 0.00 ATOM 907 CB PRO 116 7.643 -0.584 4.586 1.00 0.00 ATOM 908 CG PRO 116 7.041 0.561 3.756 1.00 0.00 ATOM 909 CD PRO 116 6.387 1.423 4.833 1.00 0.00 ATOM 910 O PRO 116 7.787 -0.797 7.613 1.00 0.00 ATOM 911 C PRO 116 7.073 -1.468 6.865 1.00 0.00 ATOM 912 N THR 117 6.741 -2.732 7.121 1.00 0.00 ATOM 913 CA THR 117 7.243 -3.423 8.302 1.00 0.00 ATOM 914 CB THR 117 6.161 -3.473 9.429 1.00 0.00 ATOM 915 CG2 THR 117 5.437 -2.189 9.654 1.00 0.00 ATOM 916 OG1 THR 117 5.212 -4.485 9.063 1.00 0.00 ATOM 917 O THR 117 7.414 -5.609 7.302 1.00 0.00 ATOM 918 C THR 117 7.986 -4.670 7.851 1.00 0.00 ATOM 919 N PRO 118 9.351 -4.672 8.025 1.00 0.00 ATOM 920 CA PRO 118 10.135 -5.850 7.643 1.00 0.00 ATOM 921 CB PRO 118 11.589 -5.449 7.958 1.00 0.00 ATOM 922 CG PRO 118 11.553 -3.983 8.241 1.00 0.00 ATOM 923 CD PRO 118 10.179 -3.614 8.642 1.00 0.00 ATOM 924 O PRO 118 9.098 -6.970 9.496 1.00 0.00 ATOM 925 C PRO 118 9.581 -7.080 8.369 1.00 0.00 ATOM 926 N GLU 119 9.650 -8.199 7.746 1.00 0.00 ATOM 927 CA GLU 119 9.123 -9.426 8.340 1.00 0.00 ATOM 928 CB GLU 119 9.817 -10.680 7.426 1.00 0.00 ATOM 929 CG GLU 119 9.071 -11.999 7.289 1.00 0.00 ATOM 930 CD GLU 119 9.814 -13.153 6.683 1.00 0.00 ATOM 931 OE1 GLU 119 10.970 -13.016 6.210 1.00 0.00 ATOM 932 OE2 GLU 119 9.258 -14.284 6.631 1.00 0.00 ATOM 933 O GLU 119 9.132 -10.196 10.611 1.00 0.00 ATOM 934 C GLU 119 9.804 -9.819 9.651 1.00 0.00 ATOM 935 N MET 120 11.115 -9.718 9.723 1.00 0.00 ATOM 936 CA MET 120 11.819 -10.087 10.944 1.00 0.00 ATOM 937 CB MET 120 13.383 -9.446 10.722 1.00 0.00 ATOM 938 CG MET 120 13.845 -9.249 9.291 1.00 0.00 ATOM 939 SD MET 120 15.473 -8.494 9.016 1.00 0.00 ATOM 940 CE MET 120 16.586 -9.833 9.483 1.00 0.00 ATOM 941 O MET 120 11.354 -9.651 13.263 1.00 0.00 ATOM 942 C MET 120 11.513 -9.171 12.128 1.00 0.00 ATOM 943 N LYS 121 11.419 -7.889 11.911 1.00 0.00 ATOM 944 CA LYS 121 11.125 -6.924 12.956 1.00 0.00 ATOM 945 CB LYS 121 11.855 -5.597 12.734 1.00 0.00 ATOM 946 CG LYS 121 13.367 -5.724 12.670 1.00 0.00 ATOM 947 CD LYS 121 13.929 -6.307 13.956 1.00 0.00 ATOM 948 CE LYS 121 15.438 -6.470 13.874 1.00 0.00 ATOM 949 NZ LYS 121 15.980 -7.211 15.046 1.00 0.00 ATOM 950 O LYS 121 9.279 -5.712 13.890 1.00 0.00 ATOM 951 C LYS 121 9.642 -6.610 13.130 1.00 0.00 ATOM 952 N ASN 122 8.791 -7.380 12.482 1.00 0.00 ATOM 953 CA ASN 122 7.348 -7.191 12.589 1.00 0.00 ATOM 954 CB ASN 122 6.884 -7.243 14.013 1.00 0.00 ATOM 955 CG ASN 122 6.986 -8.661 14.536 1.00 0.00 ATOM 956 ND2 ASN 122 7.562 -8.813 15.723 1.00 0.00 ATOM 957 OD1 ASN 122 6.541 -9.607 13.887 1.00 0.00 ATOM 958 O ASN 122 6.207 -5.072 12.459 1.00 0.00 ATOM 959 C ASN 122 7.037 -5.833 11.961 1.00 0.00 TER END