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 4 Sun Jul 9 13:35:29 2006 MODEL 4 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 0.311 -8.651 13.999 1.00 0.00 ATOM 2 CA MET 1 1.324 -9.690 14.143 1.00 0.00 ATOM 3 CB MET 1 1.462 -10.482 12.852 1.00 0.00 ATOM 4 CG MET 1 0.136 -10.965 12.305 1.00 0.00 ATOM 5 SD MET 1 0.318 -11.834 10.595 1.00 0.00 ATOM 6 CE MET 1 -0.168 -10.359 9.438 1.00 0.00 ATOM 7 O MET 1 2.919 -7.925 13.759 1.00 0.00 ATOM 8 C MET 1 2.718 -9.074 14.169 1.00 0.00 ATOM 9 N SER 2 3.625 -9.850 14.681 1.00 0.00 ATOM 10 CA SER 2 5.019 -9.426 14.792 1.00 0.00 ATOM 11 CB SER 2 5.852 -10.391 15.654 1.00 0.00 ATOM 12 OG SER 2 6.206 -11.552 14.919 1.00 0.00 ATOM 13 O SER 2 6.701 -8.471 13.394 1.00 0.00 ATOM 14 C SER 2 5.673 -9.144 13.445 1.00 0.00 ATOM 15 N ASP 3 5.111 -9.673 12.345 1.00 0.00 ATOM 16 CA ASP 3 5.679 -9.451 11.021 1.00 0.00 ATOM 17 CB ASP 3 5.948 -10.757 10.271 1.00 0.00 ATOM 18 CG ASP 3 4.692 -11.573 10.053 1.00 0.00 ATOM 19 OD1 ASP 3 3.634 -11.195 10.600 1.00 0.00 ATOM 20 OD2 ASP 3 4.763 -12.594 9.335 1.00 0.00 ATOM 21 O ASP 3 4.783 -8.632 8.950 1.00 0.00 ATOM 22 C ASP 3 4.754 -8.582 10.165 1.00 0.00 ATOM 23 N THR 4 3.941 -7.781 10.908 1.00 0.00 ATOM 24 CA THR 4 2.941 -6.907 10.257 1.00 0.00 ATOM 25 CB THR 4 1.594 -7.733 10.027 1.00 0.00 ATOM 26 CG2 THR 4 0.735 -7.868 11.278 1.00 0.00 ATOM 27 OG1 THR 4 0.788 -7.130 9.050 1.00 0.00 ATOM 28 O THR 4 2.817 -5.728 12.335 1.00 0.00 ATOM 29 C THR 4 2.744 -5.657 11.108 1.00 0.00 ATOM 30 N LEU 5 2.514 -4.540 10.428 1.00 0.00 ATOM 31 CA LEU 5 2.313 -3.291 11.123 1.00 0.00 ATOM 32 CB LEU 5 3.629 -2.510 11.131 1.00 0.00 ATOM 33 CG LEU 5 4.778 -3.125 11.932 1.00 0.00 ATOM 34 CD1 LEU 5 6.086 -2.409 11.633 1.00 0.00 ATOM 35 CD2 LEU 5 4.507 -3.019 13.425 1.00 0.00 ATOM 36 O LEU 5 1.349 -2.358 9.142 1.00 0.00 ATOM 37 C LEU 5 1.351 -2.387 10.365 1.00 0.00 ATOM 38 N PRO 6 0.545 -1.651 11.088 1.00 0.00 ATOM 39 CA PRO 6 -0.414 -0.739 10.459 1.00 0.00 ATOM 40 CB PRO 6 -1.597 -0.743 11.423 1.00 0.00 ATOM 41 CG PRO 6 -0.972 -1.025 12.771 1.00 0.00 ATOM 42 CD PRO 6 0.373 -1.693 12.552 1.00 0.00 ATOM 43 O PRO 6 0.789 1.097 11.442 1.00 0.00 ATOM 44 C PRO 6 0.149 0.675 10.477 1.00 0.00 ATOM 45 N GLY 7 -0.116 1.388 9.311 1.00 0.00 ATOM 46 CA GLY 7 0.316 2.767 9.180 1.00 0.00 ATOM 47 O GLY 7 -1.617 3.021 7.799 1.00 0.00 ATOM 48 C GLY 7 -0.970 3.477 8.746 1.00 0.00 ATOM 49 N THR 8 -1.357 4.536 9.433 1.00 0.00 ATOM 50 CA THR 8 -2.547 5.283 9.007 1.00 0.00 ATOM 51 CB THR 8 -3.562 5.423 10.155 1.00 0.00 ATOM 52 CG2 THR 8 -3.960 4.054 10.685 1.00 0.00 ATOM 53 OG1 THR 8 -2.978 6.181 11.225 1.00 0.00 ATOM 54 O THR 8 -1.277 7.330 9.049 1.00 0.00 ATOM 55 C THR 8 -2.234 6.719 8.582 1.00 0.00 ATOM 56 N THR 9 -3.052 7.199 7.740 1.00 0.00 ATOM 57 CA THR 9 -3.017 8.566 7.203 1.00 0.00 ATOM 58 CB THR 9 -2.518 8.605 5.761 1.00 0.00 ATOM 59 CG2 THR 9 -1.092 8.065 5.665 1.00 0.00 ATOM 60 OG1 THR 9 -3.393 7.822 4.934 1.00 0.00 ATOM 61 O THR 9 -5.390 8.303 7.133 1.00 0.00 ATOM 62 C THR 9 -4.436 9.082 7.158 1.00 0.00 ATOM 63 N LEU 10 -4.601 10.409 7.132 1.00 0.00 ATOM 64 CA LEU 10 -5.907 11.028 7.026 1.00 0.00 ATOM 65 CB LEU 10 -6.353 11.518 8.405 1.00 0.00 ATOM 66 CG LEU 10 -7.061 10.493 9.292 1.00 0.00 ATOM 67 CD1 LEU 10 -6.212 9.243 9.453 1.00 0.00 ATOM 68 CD2 LEU 10 -7.328 11.070 10.674 1.00 0.00 ATOM 69 O LEU 10 -5.225 12.233 5.045 1.00 0.00 ATOM 70 C LEU 10 -5.880 12.209 6.096 1.00 0.00 ATOM 71 N PRO 11 -6.617 13.272 6.473 1.00 0.00 ATOM 72 CA PRO 11 -6.708 14.435 5.624 1.00 0.00 ATOM 73 CB PRO 11 -8.427 14.595 5.882 1.00 0.00 ATOM 74 CG PRO 11 -8.190 14.925 7.339 1.00 0.00 ATOM 75 CD PRO 11 -7.107 13.971 7.757 1.00 0.00 ATOM 76 O PRO 11 -5.746 16.618 5.383 1.00 0.00 ATOM 77 C PRO 11 -5.574 15.456 5.754 1.00 0.00 ATOM 78 N ASP 12 -4.424 14.910 6.315 1.00 0.00 ATOM 79 CA ASP 12 -3.284 15.787 6.533 1.00 0.00 ATOM 80 CB ASP 12 -2.944 15.865 8.023 1.00 0.00 ATOM 81 CG ASP 12 -2.534 14.522 8.596 1.00 0.00 ATOM 82 OD1 ASP 12 -2.358 13.568 7.810 1.00 0.00 ATOM 83 OD2 ASP 12 -2.390 14.425 9.833 1.00 0.00 ATOM 84 O ASP 12 -2.343 14.272 4.925 1.00 0.00 ATOM 85 C ASP 12 -2.138 15.204 5.711 1.00 0.00 ATOM 86 N ASP 13 -0.930 15.749 5.868 1.00 0.00 ATOM 87 CA ASP 13 0.202 15.178 5.132 1.00 0.00 ATOM 88 CB ASP 13 0.941 16.242 4.318 1.00 0.00 ATOM 89 CG ASP 13 0.116 16.773 3.163 1.00 0.00 ATOM 90 OD1 ASP 13 -0.396 15.952 2.371 1.00 0.00 ATOM 91 OD2 ASP 13 -0.023 18.009 3.050 1.00 0.00 ATOM 92 O ASP 13 2.415 14.690 5.918 1.00 0.00 ATOM 93 C ASP 13 1.204 14.531 6.071 1.00 0.00 ATOM 94 N ASN 14 0.731 13.767 7.033 1.00 0.00 ATOM 95 CA ASN 14 1.494 13.041 8.019 1.00 0.00 ATOM 96 CB ASN 14 1.300 13.675 9.398 1.00 0.00 ATOM 97 CG ASN 14 1.760 15.119 9.443 1.00 0.00 ATOM 98 ND2 ASN 14 0.807 16.040 9.515 1.00 0.00 ATOM 99 OD1 ASN 14 2.959 15.399 9.418 1.00 0.00 ATOM 100 O ASN 14 -0.089 11.234 8.053 1.00 0.00 ATOM 101 C ASN 14 1.096 11.566 8.128 1.00 0.00 ATOM 102 N HIS 15 2.037 10.663 8.386 1.00 0.00 ATOM 103 CA HIS 15 1.756 9.281 8.704 1.00 0.00 ATOM 104 CB HIS 15 2.981 8.445 8.514 1.00 0.00 ATOM 105 CG HIS 15 3.194 8.083 7.084 1.00 0.00 ATOM 106 CD2 HIS 15 2.430 8.309 5.985 1.00 0.00 ATOM 107 ND1 HIS 15 4.256 7.324 6.665 1.00 0.00 ATOM 108 CE1 HIS 15 4.147 7.087 5.371 1.00 0.00 ATOM 109 NE2 HIS 15 3.046 7.676 4.933 1.00 0.00 ATOM 110 O HIS 15 2.071 10.001 10.964 1.00 0.00 ATOM 111 C HIS 15 1.598 9.152 10.211 1.00 0.00 ATOM 112 N ASP 16 0.912 8.184 10.707 1.00 0.00 ATOM 113 CA ASP 16 0.766 7.918 12.137 1.00 0.00 ATOM 114 CB ASP 16 -0.227 6.776 12.352 1.00 0.00 ATOM 115 CG ASP 16 -0.804 6.762 13.754 1.00 0.00 ATOM 116 OD1 ASP 16 -1.374 7.792 14.170 1.00 0.00 ATOM 117 OD2 ASP 16 -0.687 5.722 14.435 1.00 0.00 ATOM 118 O ASP 16 2.159 7.774 14.071 1.00 0.00 ATOM 119 C ASP 16 2.077 7.594 12.871 1.00 0.00 ATOM 120 N ARG 17 3.073 7.104 12.135 1.00 0.00 ATOM 121 CA ARG 17 4.371 6.807 12.752 1.00 0.00 ATOM 122 CB ARG 17 4.559 5.316 12.752 1.00 0.00 ATOM 123 CG ARG 17 3.527 4.537 13.577 1.00 0.00 ATOM 124 CD ARG 17 3.403 4.959 15.019 1.00 0.00 ATOM 125 NE ARG 17 4.622 4.654 15.757 1.00 0.00 ATOM 126 CZ ARG 17 5.399 5.523 16.382 1.00 0.00 ATOM 127 NH1 ARG 17 5.057 6.803 16.497 1.00 0.00 ATOM 128 NH2 ARG 17 6.518 5.086 16.925 1.00 0.00 ATOM 129 O ARG 17 5.201 7.118 10.538 1.00 0.00 ATOM 130 C ARG 17 5.457 7.177 11.749 1.00 0.00 ATOM 131 N PRO 18 6.678 7.537 12.324 1.00 0.00 ATOM 132 CA PRO 18 7.783 7.930 11.462 1.00 0.00 ATOM 133 CB PRO 18 8.192 9.306 11.992 1.00 0.00 ATOM 134 CG PRO 18 8.028 9.201 13.471 1.00 0.00 ATOM 135 CD PRO 18 6.826 8.331 13.696 1.00 0.00 ATOM 136 O PRO 18 9.977 7.248 10.855 1.00 0.00 ATOM 137 C PRO 18 8.978 6.965 11.507 1.00 0.00 ATOM 138 N TRP 19 8.763 5.820 12.116 1.00 0.00 ATOM 139 CA TRP 19 9.803 4.791 12.122 1.00 0.00 ATOM 140 CB TRP 19 10.731 4.979 13.360 1.00 0.00 ATOM 141 CG TRP 19 11.861 3.969 13.426 1.00 0.00 ATOM 142 CD1 TRP 19 13.132 4.141 12.964 1.00 0.00 ATOM 143 CD2 TRP 19 11.807 2.638 13.973 1.00 0.00 ATOM 144 CE2 TRP 19 13.096 2.070 13.813 1.00 0.00 ATOM 145 CE3 TRP 19 10.799 1.874 14.579 1.00 0.00 ATOM 146 NE1 TRP 19 13.879 3.007 13.196 1.00 0.00 ATOM 147 CZ2 TRP 19 13.405 0.760 14.247 1.00 0.00 ATOM 148 CZ3 TRP 19 11.111 0.560 15.011 1.00 0.00 ATOM 149 CH2 TRP 19 12.395 0.036 14.839 1.00 0.00 ATOM 150 O TRP 19 8.336 3.081 12.906 1.00 0.00 ATOM 151 C TRP 19 9.120 3.423 12.028 1.00 0.00 ATOM 152 N TRP 20 9.565 2.576 11.138 1.00 0.00 ATOM 153 CA TRP 20 9.143 1.200 11.100 1.00 0.00 ATOM 154 CB TRP 20 8.098 0.981 9.980 1.00 0.00 ATOM 155 CG TRP 20 6.875 1.859 10.062 1.00 0.00 ATOM 156 CD1 TRP 20 6.411 2.505 11.167 1.00 0.00 ATOM 157 CD2 TRP 20 5.955 2.169 9.007 1.00 0.00 ATOM 158 CE2 TRP 20 4.957 3.009 9.551 1.00 0.00 ATOM 159 CE3 TRP 20 5.878 1.836 7.662 1.00 0.00 ATOM 160 NE1 TRP 20 5.256 3.191 10.870 1.00 0.00 ATOM 161 CZ2 TRP 20 3.902 3.495 8.802 1.00 0.00 ATOM 162 CZ3 TRP 20 4.800 2.321 6.923 1.00 0.00 ATOM 163 CH2 TRP 20 3.846 3.145 7.496 1.00 0.00 ATOM 164 O TRP 20 11.253 0.423 10.419 1.00 0.00 ATOM 165 C TRP 20 10.346 0.323 11.212 1.00 0.00 ATOM 166 N GLY 21 10.223 -0.678 12.195 1.00 0.00 ATOM 167 CA GLY 21 11.255 -1.684 12.261 1.00 0.00 ATOM 168 O GLY 21 9.743 -3.505 11.973 1.00 0.00 ATOM 169 C GLY 21 10.815 -3.016 11.663 1.00 0.00 ATOM 170 N LEU 22 11.607 -3.579 10.759 1.00 0.00 ATOM 171 CA LEU 22 11.296 -4.859 10.133 1.00 0.00 ATOM 172 CB LEU 22 11.502 -4.798 8.624 1.00 0.00 ATOM 173 CG LEU 22 11.108 -6.086 7.879 1.00 0.00 ATOM 174 CD1 LEU 22 10.650 -5.749 6.461 1.00 0.00 ATOM 175 CD2 LEU 22 12.230 -7.102 7.847 1.00 0.00 ATOM 176 O LEU 22 13.417 -5.767 10.675 1.00 0.00 ATOM 177 C LEU 22 12.202 -5.924 10.771 1.00 0.00 ATOM 178 N PRO 23 11.612 -6.898 11.428 1.00 0.00 ATOM 179 CA PRO 23 12.403 -7.977 12.014 1.00 0.00 ATOM 180 CB PRO 23 11.364 -8.801 12.786 1.00 0.00 ATOM 181 CG PRO 23 10.308 -7.814 13.145 1.00 0.00 ATOM 182 CD PRO 23 10.267 -6.820 12.012 1.00 0.00 ATOM 183 O PRO 23 12.469 -9.316 10.011 1.00 0.00 ATOM 184 C PRO 23 13.091 -8.784 10.938 1.00 0.00 ATOM 185 N CYS 24 14.419 -8.962 11.029 1.00 0.00 ATOM 186 CA CYS 24 15.149 -9.759 10.045 1.00 0.00 ATOM 187 CB CYS 24 16.643 -9.642 10.280 1.00 0.00 ATOM 188 SG CYS 24 17.332 -7.983 9.979 1.00 0.00 ATOM 189 O CYS 24 14.966 -11.907 9.056 1.00 0.00 ATOM 190 C CYS 24 14.687 -11.212 10.039 1.00 0.00 ATOM 191 N THR 25 13.934 -11.700 11.144 1.00 0.00 ATOM 192 CA THR 25 13.426 -13.047 11.151 1.00 0.00 ATOM 193 CB THR 25 13.382 -13.668 12.561 1.00 0.00 ATOM 194 CG2 THR 25 14.765 -13.655 13.193 1.00 0.00 ATOM 195 OG1 THR 25 12.486 -12.914 13.390 1.00 0.00 ATOM 196 O THR 25 11.431 -14.224 10.528 1.00 0.00 ATOM 197 C THR 25 12.006 -13.138 10.594 1.00 0.00 ATOM 198 N VAL 26 11.429 -11.996 10.227 1.00 0.00 ATOM 199 CA VAL 26 10.054 -11.966 9.726 1.00 0.00 ATOM 200 CB VAL 26 9.171 -10.977 10.547 1.00 0.00 ATOM 201 CG1 VAL 26 9.188 -11.374 12.021 1.00 0.00 ATOM 202 CG2 VAL 26 9.669 -9.549 10.388 1.00 0.00 ATOM 203 O VAL 26 10.689 -10.708 7.779 1.00 0.00 ATOM 204 C VAL 26 9.989 -11.614 8.251 1.00 0.00 ATOM 205 N THR 27 9.188 -12.448 7.484 1.00 0.00 ATOM 206 CA THR 27 8.993 -12.165 6.068 1.00 0.00 ATOM 207 CB THR 27 8.947 -13.418 5.207 1.00 0.00 ATOM 208 CG2 THR 27 10.074 -14.357 5.621 1.00 0.00 ATOM 209 OG1 THR 27 7.678 -14.045 5.308 1.00 0.00 ATOM 210 O THR 27 6.866 -11.498 6.804 1.00 0.00 ATOM 211 C THR 27 7.766 -11.257 5.994 1.00 0.00 ATOM 212 N PRO 28 7.246 -9.416 5.523 1.00 0.00 ATOM 213 CA PRO 28 6.697 -8.401 6.436 1.00 0.00 ATOM 214 CB PRO 28 7.875 -7.467 6.655 1.00 0.00 ATOM 215 CG PRO 28 9.085 -8.410 6.708 1.00 0.00 ATOM 216 CD PRO 28 8.795 -9.364 5.533 1.00 0.00 ATOM 217 O PRO 28 5.764 -7.326 4.528 1.00 0.00 ATOM 218 C PRO 28 5.572 -7.644 5.691 1.00 0.00 ATOM 219 N CYS 29 4.493 -7.455 6.412 1.00 0.00 ATOM 220 CA CYS 29 3.333 -6.801 5.815 1.00 0.00 ATOM 221 CB CYS 29 2.076 -7.654 6.002 1.00 0.00 ATOM 222 SG CYS 29 0.511 -6.885 5.484 1.00 0.00 ATOM 223 O CYS 29 3.109 -5.286 7.678 1.00 0.00 ATOM 224 C CYS 29 3.109 -5.433 6.443 1.00 0.00 ATOM 225 N PHE 30 2.913 -4.462 5.562 1.00 0.00 ATOM 226 CA PHE 30 2.548 -3.120 6.000 1.00 0.00 ATOM 227 CB PHE 30 3.458 -2.078 5.347 1.00 0.00 ATOM 228 CG PHE 30 4.894 -2.171 5.779 1.00 0.00 ATOM 229 CD1 PHE 30 5.787 -2.976 5.095 1.00 0.00 ATOM 230 CD2 PHE 30 5.351 -1.452 6.870 1.00 0.00 ATOM 231 CE1 PHE 30 7.108 -3.061 5.490 1.00 0.00 ATOM 232 CE2 PHE 30 6.673 -1.538 7.267 1.00 0.00 ATOM 233 CZ PHE 30 7.549 -2.338 6.582 1.00 0.00 ATOM 234 O PHE 30 0.806 -3.050 4.392 1.00 0.00 ATOM 235 C PHE 30 1.077 -2.909 5.585 1.00 0.00 ATOM 236 N GLY 31 0.181 -2.711 6.534 1.00 0.00 ATOM 237 CA GLY 31 -1.217 -2.406 6.192 1.00 0.00 ATOM 238 O GLY 31 -0.728 -0.301 7.113 1.00 0.00 ATOM 239 C GLY 31 -1.315 -0.881 6.227 1.00 0.00 ATOM 240 N ALA 32 -2.019 -0.296 5.242 1.00 0.00 ATOM 241 CA ALA 32 -1.994 1.166 5.194 1.00 0.00 ATOM 242 CB ALA 32 -1.148 1.666 4.026 1.00 0.00 ATOM 243 O ALA 32 -4.116 1.122 4.106 1.00 0.00 ATOM 244 C ALA 32 -3.428 1.611 4.995 1.00 0.00 ATOM 245 N ARG 33 -3.895 2.493 5.875 1.00 0.00 ATOM 246 CA ARG 33 -5.269 2.971 5.823 1.00 0.00 ATOM 247 CB ARG 33 -6.003 2.475 7.071 1.00 0.00 ATOM 248 CG ARG 33 -6.060 0.962 7.198 1.00 0.00 ATOM 249 CD ARG 33 -6.748 0.541 8.486 1.00 0.00 ATOM 250 NE ARG 33 -6.829 -0.912 8.614 1.00 0.00 ATOM 251 CZ ARG 33 -7.354 -1.540 9.660 1.00 0.00 ATOM 252 NH1 ARG 33 -7.386 -2.866 9.689 1.00 0.00 ATOM 253 NH2 ARG 33 -7.848 -0.844 10.675 1.00 0.00 ATOM 254 O ARG 33 -4.650 5.168 6.556 1.00 0.00 ATOM 255 C ARG 33 -5.417 4.480 5.879 1.00 0.00 ATOM 256 N LEU 34 -6.599 5.095 5.184 1.00 0.00 ATOM 257 CA LEU 34 -6.919 6.509 5.200 1.00 0.00 ATOM 258 CB LEU 34 -6.939 7.040 3.759 1.00 0.00 ATOM 259 CG LEU 34 -7.104 8.548 3.572 1.00 0.00 ATOM 260 CD1 LEU 34 -6.158 9.320 4.486 1.00 0.00 ATOM 261 CD2 LEU 34 -6.850 8.874 2.104 1.00 0.00 ATOM 262 O LEU 34 -9.273 6.262 5.434 1.00 0.00 ATOM 263 C LEU 34 -8.255 6.732 5.907 1.00 0.00 ATOM 264 N VAL 35 -8.172 7.341 7.081 1.00 0.00 ATOM 265 CA VAL 35 -9.337 7.493 7.946 1.00 0.00 ATOM 266 CB VAL 35 -8.932 7.607 9.427 1.00 0.00 ATOM 267 CG1 VAL 35 -10.152 7.870 10.295 1.00 0.00 ATOM 268 CG2 VAL 35 -8.275 6.319 9.900 1.00 0.00 ATOM 269 O VAL 35 -11.301 8.608 7.150 1.00 0.00 ATOM 270 C VAL 35 -10.116 8.731 7.479 1.00 0.00 ATOM 271 N GLN 36 -9.589 9.825 7.352 1.00 0.00 ATOM 272 CA GLN 36 -10.270 11.072 7.068 1.00 0.00 ATOM 273 CB GLN 36 -9.875 12.266 7.361 1.00 0.00 ATOM 274 CG GLN 36 -10.623 12.680 8.623 1.00 0.00 ATOM 275 CD GLN 36 -12.117 12.859 8.394 1.00 0.00 ATOM 276 OE1 GLN 36 -12.841 11.899 8.119 1.00 0.00 ATOM 277 NE2 GLN 36 -12.584 14.099 8.502 1.00 0.00 ATOM 278 O GLN 36 -10.168 10.553 4.760 1.00 0.00 ATOM 279 C GLN 36 -10.835 11.059 5.656 1.00 0.00 ATOM 280 N GLU 37 -9.185 11.560 3.104 1.00 0.00 ATOM 281 CA GLU 37 -9.430 12.477 2.019 1.00 0.00 ATOM 282 CB GLU 37 -10.439 13.615 2.481 1.00 0.00 ATOM 283 CG GLU 37 -10.922 14.570 1.371 1.00 0.00 ATOM 284 CD GLU 37 -11.744 15.747 1.896 1.00 0.00 ATOM 285 OE1 GLU 37 -11.962 15.839 3.122 1.00 0.00 ATOM 286 OE2 GLU 37 -12.165 16.591 1.071 1.00 0.00 ATOM 287 O GLU 37 -7.343 13.659 1.930 1.00 0.00 ATOM 288 C GLU 37 -8.179 12.982 1.327 1.00 0.00 ATOM 289 N GLY 38 -8.045 12.653 0.093 1.00 0.00 ATOM 290 CA GLY 38 -6.867 13.071 -0.635 1.00 0.00 ATOM 291 O GLY 38 -5.923 11.064 0.264 1.00 0.00 ATOM 292 C GLY 38 -6.060 11.781 -0.756 1.00 0.00 ATOM 293 N ASN 39 -5.619 11.472 -1.973 1.00 0.00 ATOM 294 CA ASN 39 -4.869 10.250 -2.212 1.00 0.00 ATOM 295 CB ASN 39 -4.692 9.834 -3.674 1.00 0.00 ATOM 296 CG ASN 39 -6.010 9.745 -4.418 1.00 0.00 ATOM 297 ND2 ASN 39 -5.950 9.858 -5.740 1.00 0.00 ATOM 298 OD1 ASN 39 -7.067 9.579 -3.809 1.00 0.00 ATOM 299 O ASN 39 -2.689 10.942 -1.450 1.00 0.00 ATOM 300 C ASN 39 -3.539 10.060 -1.476 1.00 0.00 ATOM 301 N ARG 40 -3.242 8.830 -0.895 1.00 0.00 ATOM 302 CA ARG 40 -1.953 8.546 -0.259 1.00 0.00 ATOM 303 CB ARG 40 -2.065 8.683 1.262 1.00 0.00 ATOM 304 CG ARG 40 -2.435 10.081 1.732 1.00 0.00 ATOM 305 CD ARG 40 -1.293 11.058 1.511 1.00 0.00 ATOM 306 NE ARG 40 -1.588 12.378 2.064 1.00 0.00 ATOM 307 CZ ARG 40 -2.225 13.340 1.402 1.00 0.00 ATOM 308 NH1 ARG 40 -2.448 14.509 1.984 1.00 0.00 ATOM 309 NH2 ARG 40 -2.634 13.128 0.159 1.00 0.00 ATOM 310 O ARG 40 -2.394 6.232 -0.790 1.00 0.00 ATOM 311 C ARG 40 -1.552 7.111 -0.620 1.00 0.00 ATOM 312 N LEU 41 -0.226 6.922 -0.612 1.00 0.00 ATOM 313 CA LEU 41 0.288 5.552 -0.769 1.00 0.00 ATOM 314 CB LEU 41 0.703 5.296 -2.219 1.00 0.00 ATOM 315 CG LEU 41 1.690 6.295 -2.828 1.00 0.00 ATOM 316 CD1 LEU 41 3.118 5.942 -2.441 1.00 0.00 ATOM 317 CD2 LEU 41 1.593 6.287 -4.346 1.00 0.00 ATOM 318 O LEU 41 2.227 6.495 0.276 1.00 0.00 ATOM 319 C LEU 41 1.585 5.473 0.016 1.00 0.00 ATOM 320 N HIS 42 1.953 4.175 0.358 1.00 0.00 ATOM 321 CA HIS 42 3.190 3.907 1.081 1.00 0.00 ATOM 322 CB HIS 42 2.897 3.104 2.347 1.00 0.00 ATOM 323 CG HIS 42 2.026 3.801 3.345 1.00 0.00 ATOM 324 CD2 HIS 42 2.339 4.430 4.500 1.00 0.00 ATOM 325 ND1 HIS 42 0.658 3.933 3.196 1.00 0.00 ATOM 326 CE1 HIS 42 0.170 4.622 4.218 1.00 0.00 ATOM 327 NE2 HIS 42 1.169 4.933 5.024 1.00 0.00 ATOM 328 O HIS 42 3.902 2.201 -0.416 1.00 0.00 ATOM 329 C HIS 42 4.226 3.252 0.146 1.00 0.00 ATOM 330 N TYR 43 5.279 3.975 -0.128 1.00 0.00 ATOM 331 CA TYR 43 6.336 3.495 -1.048 1.00 0.00 ATOM 332 CB TYR 43 6.526 4.502 -2.185 1.00 0.00 ATOM 333 CG TYR 43 7.611 4.121 -3.166 1.00 0.00 ATOM 334 CD1 TYR 43 7.406 3.111 -4.097 1.00 0.00 ATOM 335 CD2 TYR 43 8.839 4.772 -3.158 1.00 0.00 ATOM 336 CE1 TYR 43 8.392 2.756 -4.998 1.00 0.00 ATOM 337 CE2 TYR 43 9.836 4.432 -4.051 1.00 0.00 ATOM 338 CZ TYR 43 9.604 3.413 -4.976 1.00 0.00 ATOM 339 OH TYR 43 10.586 3.062 -5.871 1.00 0.00 ATOM 340 O TYR 43 8.014 4.308 0.414 1.00 0.00 ATOM 341 C TYR 43 7.634 3.364 -0.290 1.00 0.00 ATOM 342 N LEU 44 8.361 2.281 -0.492 1.00 0.00 ATOM 343 CA LEU 44 9.630 2.003 0.178 1.00 0.00 ATOM 344 CB LEU 44 9.576 0.645 0.906 1.00 0.00 ATOM 345 CG LEU 44 8.422 0.376 1.867 1.00 0.00 ATOM 346 CD1 LEU 44 8.607 -1.001 2.474 1.00 0.00 ATOM 347 CD2 LEU 44 8.378 1.433 2.964 1.00 0.00 ATOM 348 O LEU 44 10.788 1.346 -1.804 1.00 0.00 ATOM 349 C LEU 44 10.818 2.022 -0.768 1.00 0.00 ATOM 350 N ALA 45 11.850 2.793 -0.445 1.00 0.00 ATOM 351 CA ALA 45 13.025 2.893 -1.308 1.00 0.00 ATOM 352 CB ALA 45 12.803 3.940 -2.389 1.00 0.00 ATOM 353 O ALA 45 14.049 4.047 0.534 1.00 0.00 ATOM 354 C ALA 45 14.188 3.280 -0.408 1.00 0.00 ATOM 355 N ASP 46 15.422 2.784 -0.740 1.00 0.00 ATOM 356 CA ASP 46 16.604 3.179 0.027 1.00 0.00 ATOM 357 CB ASP 46 17.873 2.631 -0.628 1.00 0.00 ATOM 358 CG ASP 46 18.014 1.131 -0.460 1.00 0.00 ATOM 359 OD1 ASP 46 17.238 0.545 0.323 1.00 0.00 ATOM 360 OD2 ASP 46 18.900 0.542 -1.113 1.00 0.00 ATOM 361 O ASP 46 16.155 5.316 -0.969 1.00 0.00 ATOM 362 C ASP 46 16.600 4.701 0.012 1.00 0.00 ATOM 363 N ARG 47 17.012 5.369 1.161 1.00 0.00 ATOM 364 CA ARG 47 16.886 6.810 1.308 1.00 0.00 ATOM 365 CB ARG 47 18.226 6.939 2.379 1.00 0.00 ATOM 366 CG ARG 47 18.612 8.075 3.243 1.00 0.00 ATOM 367 CD ARG 47 19.102 9.257 2.389 1.00 0.00 ATOM 368 NE ARG 47 18.372 10.428 2.833 1.00 0.00 ATOM 369 CZ ARG 47 18.334 11.609 2.245 1.00 0.00 ATOM 370 NH1 ARG 47 19.027 11.848 1.148 1.00 0.00 ATOM 371 NH2 ARG 47 17.598 12.563 2.813 1.00 0.00 ATOM 372 O ARG 47 16.794 8.638 -0.245 1.00 0.00 ATOM 373 C ARG 47 17.434 7.672 0.184 1.00 0.00 ATOM 374 N ALA 48 18.635 7.326 -0.309 1.00 0.00 ATOM 375 CA ALA 48 19.270 8.089 -1.389 1.00 0.00 ATOM 376 CB ALA 48 20.626 7.496 -1.737 1.00 0.00 ATOM 377 O ALA 48 18.685 9.109 -3.453 1.00 0.00 ATOM 378 C ALA 48 18.443 8.193 -2.665 1.00 0.00 ATOM 379 N GLY 49 17.530 7.250 -2.880 1.00 0.00 ATOM 380 CA GLY 49 16.733 7.219 -4.086 1.00 0.00 ATOM 381 O GLY 49 14.606 7.820 -4.960 1.00 0.00 ATOM 382 C GLY 49 15.369 7.854 -3.968 1.00 0.00 ATOM 383 N ILE 50 14.954 8.371 -2.827 1.00 0.00 ATOM 384 CA ILE 50 13.601 8.885 -2.651 1.00 0.00 ATOM 385 CB ILE 50 13.304 9.493 -1.234 1.00 0.00 ATOM 386 CG1 ILE 50 13.924 10.881 -1.065 1.00 0.00 ATOM 387 CG2 ILE 50 13.807 8.535 -0.132 1.00 0.00 ATOM 388 CD1 ILE 50 13.512 11.571 0.263 1.00 0.00 ATOM 389 O ILE 50 12.214 10.108 -4.148 1.00 0.00 ATOM 390 C ILE 50 13.299 10.065 -3.553 1.00 0.00 ATOM 391 N ARG 51 14.237 11.001 -3.640 1.00 0.00 ATOM 392 CA ARG 51 14.028 12.180 -4.474 1.00 0.00 ATOM 393 CB ARG 51 15.202 13.152 -4.333 1.00 0.00 ATOM 394 CG ARG 51 15.416 13.640 -2.913 1.00 0.00 ATOM 395 CD ARG 51 16.396 14.803 -2.874 1.00 0.00 ATOM 396 NE ARG 51 15.852 15.992 -3.525 1.00 0.00 ATOM 397 CZ ARG 51 15.661 17.161 -2.919 1.00 0.00 ATOM 398 NH1 ARG 51 15.969 17.317 -1.640 1.00 0.00 ATOM 399 NH2 ARG 51 15.158 18.182 -3.599 1.00 0.00 ATOM 400 O ARG 51 12.929 12.200 -6.604 1.00 0.00 ATOM 401 C ARG 51 13.861 11.761 -5.929 1.00 0.00 ATOM 402 N GLY 52 14.769 10.917 -6.408 1.00 0.00 ATOM 403 CA GLY 52 14.697 10.448 -7.781 1.00 0.00 ATOM 404 O GLY 52 12.780 9.692 -9.020 1.00 0.00 ATOM 405 C GLY 52 13.463 9.600 -7.995 1.00 0.00 ATOM 406 N LEU 53 13.156 8.773 -7.011 1.00 0.00 ATOM 407 CA LEU 53 11.979 7.921 -7.121 1.00 0.00 ATOM 408 CB LEU 53 11.974 6.890 -5.997 1.00 0.00 ATOM 409 CG LEU 53 13.119 5.869 -6.004 1.00 0.00 ATOM 410 CD1 LEU 53 13.079 5.053 -4.716 1.00 0.00 ATOM 411 CD2 LEU 53 13.124 4.992 -7.237 1.00 0.00 ATOM 412 O LEU 53 9.742 8.385 -7.865 1.00 0.00 ATOM 413 C LEU 53 10.674 8.732 -7.144 1.00 0.00 ATOM 414 N PHE 54 10.615 9.826 -6.407 1.00 0.00 ATOM 415 CA PHE 54 9.449 10.699 -6.380 1.00 0.00 ATOM 416 CB PHE 54 9.587 11.861 -5.382 1.00 0.00 ATOM 417 CG PHE 54 9.765 11.423 -3.926 1.00 0.00 ATOM 418 CD1 PHE 54 9.195 10.246 -3.448 1.00 0.00 ATOM 419 CD2 PHE 54 10.514 12.183 -3.053 1.00 0.00 ATOM 420 CE1 PHE 54 9.385 9.843 -2.142 1.00 0.00 ATOM 421 CE2 PHE 54 10.690 11.796 -1.737 1.00 0.00 ATOM 422 CZ PHE 54 10.119 10.621 -1.283 1.00 0.00 ATOM 423 O PHE 54 8.069 11.423 -8.185 1.00 0.00 ATOM 424 C PHE 54 9.214 11.308 -7.760 1.00 0.00 ATOM 425 N SER 55 10.303 11.739 -8.509 1.00 0.00 ATOM 426 CA SER 55 10.078 12.386 -9.815 1.00 0.00 ATOM 427 CB SER 55 11.419 12.830 -10.405 1.00 0.00 ATOM 428 OG SER 55 11.957 13.922 -9.681 1.00 0.00 ATOM 429 O SER 55 8.423 11.727 -11.417 1.00 0.00 ATOM 430 C SER 55 9.441 11.415 -10.799 1.00 0.00 ATOM 431 N ASP 56 10.012 10.234 -10.932 1.00 0.00 ATOM 432 CA ASP 56 9.503 9.194 -11.820 1.00 0.00 ATOM 433 CB ASP 56 10.477 8.019 -11.918 1.00 0.00 ATOM 434 CG ASP 56 11.739 8.371 -12.683 1.00 0.00 ATOM 435 OD1 ASP 56 11.757 9.431 -13.343 1.00 0.00 ATOM 436 OD2 ASP 56 12.709 7.587 -12.622 1.00 0.00 ATOM 437 O ASP 56 7.269 8.339 -12.184 1.00 0.00 ATOM 438 C ASP 56 8.172 8.625 -11.389 1.00 0.00 ATOM 439 N ALA 57 8.036 8.463 -10.066 1.00 0.00 ATOM 440 CA ALA 57 6.788 7.937 -9.519 1.00 0.00 ATOM 441 CB ALA 57 6.896 7.778 -8.010 1.00 0.00 ATOM 442 O ALA 57 4.476 8.332 -10.050 1.00 0.00 ATOM 443 C ALA 57 5.575 8.824 -9.800 1.00 0.00 ATOM 444 N ASP 58 5.768 10.178 -9.755 1.00 0.00 ATOM 445 CA ASP 58 4.660 11.095 -9.989 1.00 0.00 ATOM 446 CB ASP 58 5.101 12.554 -9.873 1.00 0.00 ATOM 447 CG ASP 58 5.381 12.966 -8.442 1.00 0.00 ATOM 448 OD1 ASP 58 5.016 12.205 -7.521 1.00 0.00 ATOM 449 OD2 ASP 58 5.967 14.052 -8.241 1.00 0.00 ATOM 450 O ASP 58 2.828 10.907 -11.531 1.00 0.00 ATOM 451 C ASP 58 4.043 10.818 -11.356 1.00 0.00 ATOM 452 N ALA 59 4.873 10.448 -12.337 1.00 0.00 ATOM 453 CA ALA 59 4.401 10.174 -13.685 1.00 0.00 ATOM 454 CB ALA 59 5.538 10.290 -14.689 1.00 0.00 ATOM 455 O ALA 59 3.113 8.586 -14.937 1.00 0.00 ATOM 456 C ALA 59 3.801 8.786 -13.947 1.00 0.00 ATOM 457 N TYR 60 4.162 7.835 -12.995 1.00 0.00 ATOM 458 CA TYR 60 3.685 6.455 -13.134 1.00 0.00 ATOM 459 CB TYR 60 4.852 5.520 -13.459 1.00 0.00 ATOM 460 CG TYR 60 5.524 5.817 -14.780 1.00 0.00 ATOM 461 CD1 TYR 60 6.606 6.686 -14.848 1.00 0.00 ATOM 462 CD2 TYR 60 5.075 5.228 -15.955 1.00 0.00 ATOM 463 CE1 TYR 60 7.228 6.962 -16.051 1.00 0.00 ATOM 464 CE2 TYR 60 5.684 5.493 -17.167 1.00 0.00 ATOM 465 CZ TYR 60 6.769 6.369 -17.207 1.00 0.00 ATOM 466 OH TYR 60 7.385 6.642 -18.406 1.00 0.00 ATOM 467 O TYR 60 3.545 6.182 -10.733 1.00 0.00 ATOM 468 C TYR 60 3.029 5.989 -11.820 1.00 0.00 ATOM 469 N HIS 61 1.850 5.433 -11.944 1.00 0.00 ATOM 470 CA HIS 61 1.191 4.739 -10.853 1.00 0.00 ATOM 471 CB HIS 61 -0.179 4.233 -11.292 1.00 0.00 ATOM 472 CG HIS 61 -1.141 5.334 -11.608 1.00 0.00 ATOM 473 CD2 HIS 61 -2.090 5.931 -10.849 1.00 0.00 ATOM 474 ND1 HIS 61 -1.185 5.959 -12.835 1.00 0.00 ATOM 475 CE1 HIS 61 -2.122 6.891 -12.821 1.00 0.00 ATOM 476 NE2 HIS 61 -2.686 6.895 -11.626 1.00 0.00 ATOM 477 O HIS 61 2.836 2.914 -10.975 1.00 0.00 ATOM 478 C HIS 61 1.960 3.511 -10.308 1.00 0.00 ATOM 479 N LEU 62 1.563 3.103 -9.115 1.00 0.00 ATOM 480 CA LEU 62 2.068 1.884 -8.530 1.00 0.00 ATOM 481 CB LEU 62 1.336 1.546 -7.223 1.00 0.00 ATOM 482 CG LEU 62 1.666 0.192 -6.578 1.00 0.00 ATOM 483 CD1 LEU 62 3.152 0.119 -6.221 1.00 0.00 ATOM 484 CD2 LEU 62 0.808 0.001 -5.332 1.00 0.00 ATOM 485 O LEU 62 2.756 -0.183 -9.551 1.00 0.00 ATOM 486 C LEU 62 1.878 0.680 -9.454 1.00 0.00 ATOM 487 N ASP 63 0.711 0.617 -10.166 1.00 0.00 ATOM 488 CA ASP 63 0.453 -0.527 -11.042 1.00 0.00 ATOM 489 CB ASP 63 -0.957 -0.423 -11.647 1.00 0.00 ATOM 490 CG ASP 63 -2.056 -0.653 -10.621 1.00 0.00 ATOM 491 OD1 ASP 63 -1.740 -1.060 -9.479 1.00 0.00 ATOM 492 OD2 ASP 63 -3.238 -0.434 -10.961 1.00 0.00 ATOM 493 O ASP 63 2.017 -1.705 -12.419 1.00 0.00 ATOM 494 C ASP 63 1.448 -0.629 -12.195 1.00 0.00 ATOM 495 N GLN 64 1.709 0.479 -12.859 1.00 0.00 ATOM 496 CA GLN 64 2.665 0.486 -13.961 1.00 0.00 ATOM 497 CB GLN 64 2.572 1.838 -14.725 1.00 0.00 ATOM 498 CG GLN 64 1.226 2.120 -15.382 1.00 0.00 ATOM 499 CD GLN 64 1.216 3.427 -16.184 1.00 0.00 ATOM 500 OE1 GLN 64 2.260 3.898 -16.658 1.00 0.00 ATOM 501 NE2 GLN 64 0.031 4.011 -16.347 1.00 0.00 ATOM 502 O GLN 64 4.830 -0.557 -14.118 1.00 0.00 ATOM 503 C GLN 64 4.066 0.148 -13.451 1.00 0.00 ATOM 504 N ALA 65 4.370 0.676 -12.299 1.00 0.00 ATOM 505 CA ALA 65 5.688 0.429 -11.710 1.00 0.00 ATOM 506 CB ALA 65 5.840 1.236 -10.426 1.00 0.00 ATOM 507 O ALA 65 6.970 -1.621 -11.627 1.00 0.00 ATOM 508 C ALA 65 5.894 -1.046 -11.389 1.00 0.00 ATOM 509 N PHE 66 4.821 -1.698 -10.889 1.00 0.00 ATOM 510 CA PHE 66 4.856 -3.120 -10.588 1.00 0.00 ATOM 511 CB PHE 66 3.530 -3.551 -9.958 1.00 0.00 ATOM 512 CG PHE 66 3.427 -5.031 -9.719 1.00 0.00 ATOM 513 CD1 PHE 66 4.238 -5.653 -8.778 1.00 0.00 ATOM 514 CD2 PHE 66 2.539 -5.804 -10.458 1.00 0.00 ATOM 515 CE1 PHE 66 4.165 -7.033 -8.572 1.00 0.00 ATOM 516 CE2 PHE 66 2.459 -7.184 -10.262 1.00 0.00 ATOM 517 CZ PHE 66 3.273 -7.798 -9.318 1.00 0.00 ATOM 518 O PHE 66 6.046 -4.828 -11.786 1.00 0.00 ATOM 519 C PHE 66 5.148 -3.984 -11.807 1.00 0.00 ATOM 520 N PRO 67 4.375 -3.735 -12.871 1.00 0.00 ATOM 521 CA PRO 67 4.552 -4.513 -14.089 1.00 0.00 ATOM 522 CB PRO 67 3.547 -4.000 -15.074 1.00 0.00 ATOM 523 CG PRO 67 3.205 -2.664 -14.600 1.00 0.00 ATOM 524 CD PRO 67 3.292 -2.728 -13.099 1.00 0.00 ATOM 525 O PRO 67 6.562 -5.383 -15.170 1.00 0.00 ATOM 526 C PRO 67 5.964 -4.357 -14.693 1.00 0.00 ATOM 527 N LEU 68 6.465 -3.108 -14.634 1.00 0.00 ATOM 528 CA LEU 68 7.858 -2.866 -15.083 1.00 0.00 ATOM 529 CB LEU 68 8.254 -1.389 -14.935 1.00 0.00 ATOM 530 CG LEU 68 7.258 -0.327 -15.420 1.00 0.00 ATOM 531 CD1 LEU 68 8.020 0.985 -15.567 1.00 0.00 ATOM 532 CD2 LEU 68 6.608 -0.684 -16.752 1.00 0.00 ATOM 533 O LEU 68 8.849 -3.610 -13.054 1.00 0.00 ATOM 534 C LEU 68 8.820 -3.691 -14.276 1.00 0.00 ATOM 535 N LEU 69 9.666 -4.600 -14.919 1.00 0.00 ATOM 536 CA LEU 69 10.599 -5.463 -14.202 1.00 0.00 ATOM 537 CB LEU 69 11.402 -6.317 -15.187 1.00 0.00 ATOM 538 CG LEU 69 10.627 -7.409 -15.927 1.00 0.00 ATOM 539 CD1 LEU 69 11.493 -8.051 -17.000 1.00 0.00 ATOM 540 CD2 LEU 69 10.182 -8.498 -14.962 1.00 0.00 ATOM 541 O LEU 69 11.778 -4.869 -12.177 1.00 0.00 ATOM 542 C LEU 69 11.572 -4.621 -13.370 1.00 0.00 ATOM 543 N MET 70 12.145 -3.620 -14.034 1.00 0.00 ATOM 544 CA MET 70 13.100 -2.747 -13.345 1.00 0.00 ATOM 545 CB MET 70 13.669 -1.708 -14.313 1.00 0.00 ATOM 546 CG MET 70 14.583 -2.290 -15.380 1.00 0.00 ATOM 547 SD MET 70 15.127 -1.056 -16.576 1.00 0.00 ATOM 548 CE MET 70 16.193 -0.041 -15.556 1.00 0.00 ATOM 549 O MET 70 12.886 -2.012 -11.091 1.00 0.00 ATOM 550 C MET 70 12.373 -2.049 -12.204 1.00 0.00 ATOM 551 N LYS 71 11.204 -1.511 -12.508 1.00 0.00 ATOM 552 CA LYS 71 10.424 -0.795 -11.508 1.00 0.00 ATOM 553 CB LYS 71 9.302 0.026 -12.214 1.00 0.00 ATOM 554 CG LYS 71 9.819 1.113 -13.052 1.00 0.00 ATOM 555 CD LYS 71 10.041 2.392 -12.339 1.00 0.00 ATOM 556 CE LYS 71 10.731 3.359 -13.236 1.00 0.00 ATOM 557 NZ LYS 71 10.838 4.765 -12.601 1.00 0.00 ATOM 558 O LYS 71 9.766 -1.272 -9.247 1.00 0.00 ATOM 559 C LYS 71 9.877 -1.693 -10.404 1.00 0.00 ATOM 560 N GLN 72 9.586 -2.941 -10.740 1.00 0.00 ATOM 561 CA GLN 72 9.173 -3.902 -9.737 1.00 0.00 ATOM 562 CB GLN 72 8.959 -5.278 -10.368 1.00 0.00 ATOM 563 CG GLN 72 8.489 -6.344 -9.391 1.00 0.00 ATOM 564 CD GLN 72 8.268 -7.688 -10.057 1.00 0.00 ATOM 565 OE1 GLN 72 8.549 -7.858 -11.245 1.00 0.00 ATOM 566 NE2 GLN 72 7.765 -8.649 -9.293 1.00 0.00 ATOM 567 O GLN 72 9.996 -3.888 -7.471 1.00 0.00 ATOM 568 C GLN 72 10.266 -4.029 -8.663 1.00 0.00 ATOM 569 N LEU 73 11.517 -4.153 -9.108 1.00 0.00 ATOM 570 CA LEU 73 12.666 -4.212 -8.198 1.00 0.00 ATOM 571 CB LEU 73 13.958 -4.456 -8.981 1.00 0.00 ATOM 572 CG LEU 73 15.248 -4.509 -8.161 1.00 0.00 ATOM 573 CD1 LEU 73 15.204 -5.654 -7.161 1.00 0.00 ATOM 574 CD2 LEU 73 16.453 -4.713 -9.067 1.00 0.00 ATOM 575 O LEU 73 12.970 -2.914 -6.197 1.00 0.00 ATOM 576 C LEU 73 12.844 -2.904 -7.421 1.00 0.00 ATOM 577 N GLU 74 12.879 -1.782 -8.132 1.00 0.00 ATOM 578 CA GLU 74 13.062 -0.489 -7.479 1.00 0.00 ATOM 579 CB GLU 74 13.020 0.647 -8.502 1.00 0.00 ATOM 580 CG GLU 74 14.268 0.710 -9.381 1.00 0.00 ATOM 581 CD GLU 74 15.557 0.799 -8.571 1.00 0.00 ATOM 582 OE1 GLU 74 15.632 1.646 -7.656 1.00 0.00 ATOM 583 OE2 GLU 74 16.498 0.028 -8.850 1.00 0.00 ATOM 584 O GLU 74 12.292 0.351 -5.368 1.00 0.00 ATOM 585 C GLU 74 11.997 -0.201 -6.433 1.00 0.00 ATOM 586 N LEU 75 10.760 -0.594 -6.723 1.00 0.00 ATOM 587 CA LEU 75 9.677 -0.366 -5.782 1.00 0.00 ATOM 588 CB LEU 75 8.460 -1.346 -6.359 1.00 0.00 ATOM 589 CG LEU 75 6.964 -1.002 -6.231 1.00 0.00 ATOM 590 CD1 LEU 75 6.525 -0.072 -7.318 1.00 0.00 ATOM 591 CD2 LEU 75 6.123 -2.272 -6.279 1.00 0.00 ATOM 592 O LEU 75 9.784 -0.769 -3.429 1.00 0.00 ATOM 593 C LEU 75 9.803 -1.242 -4.564 1.00 0.00 ATOM 594 N MET 76 10.039 -2.531 -4.764 1.00 0.00 ATOM 595 CA MET 76 10.145 -3.416 -3.616 1.00 0.00 ATOM 596 CB MET 76 10.288 -4.890 -4.137 1.00 0.00 ATOM 597 CG MET 76 9.071 -5.459 -4.837 1.00 0.00 ATOM 598 SD MET 76 9.324 -7.193 -5.278 1.00 0.00 ATOM 599 CE MET 76 9.291 -7.938 -3.646 1.00 0.00 ATOM 600 O MET 76 11.125 -3.452 -1.548 1.00 0.00 ATOM 601 C MET 76 11.279 -3.011 -2.671 1.00 0.00 ATOM 602 N LEU 77 9.083 -1.751 -2.471 1.00 0.00 ATOM 603 CA LEU 77 7.708 -2.189 -2.283 1.00 0.00 ATOM 604 CB LEU 77 7.561 -2.944 -0.962 1.00 0.00 ATOM 605 CG LEU 77 6.209 -3.616 -0.712 1.00 0.00 ATOM 606 CD1 LEU 77 5.984 -4.754 -1.697 1.00 0.00 ATOM 607 CD2 LEU 77 6.146 -4.190 0.697 1.00 0.00 ATOM 608 O LEU 77 7.390 0.171 -2.104 1.00 0.00 ATOM 609 C LEU 77 6.848 -0.921 -2.302 1.00 0.00 ATOM 610 N THR 78 5.576 -1.079 -2.713 1.00 0.00 ATOM 611 CA THR 78 4.735 0.109 -2.677 1.00 0.00 ATOM 612 CB THR 78 4.906 0.991 -3.928 1.00 0.00 ATOM 613 CG2 THR 78 4.381 0.272 -5.162 1.00 0.00 ATOM 614 OG1 THR 78 4.175 2.214 -3.758 1.00 0.00 ATOM 615 O THR 78 2.956 -1.471 -2.912 1.00 0.00 ATOM 616 C THR 78 3.273 -0.324 -2.614 1.00 0.00 ATOM 617 N SER 79 2.415 0.572 -2.173 1.00 0.00 ATOM 618 CA SER 79 0.968 0.347 -2.256 1.00 0.00 ATOM 619 CB SER 79 0.346 0.536 -0.881 1.00 0.00 ATOM 620 OG SER 79 0.320 1.906 -0.484 1.00 0.00 ATOM 621 O SER 79 0.885 2.424 -3.487 1.00 0.00 ATOM 622 C SER 79 0.411 1.302 -3.328 1.00 0.00 ATOM 623 N GLY 80 -0.783 0.947 -3.960 1.00 0.00 ATOM 624 CA GLY 80 -1.546 1.858 -4.753 1.00 0.00 ATOM 625 O GLY 80 -2.101 3.001 -2.699 1.00 0.00 ATOM 626 C GLY 80 -2.079 3.026 -3.933 1.00 0.00 ATOM 627 N GLU 81 -2.464 4.060 -4.602 1.00 0.00 ATOM 628 CA GLU 81 -2.998 5.268 -3.974 1.00 0.00 ATOM 629 CB GLU 81 -3.133 6.404 -4.988 1.00 0.00 ATOM 630 CG GLU 81 -1.810 7.016 -5.416 1.00 0.00 ATOM 631 CD GLU 81 -1.985 8.148 -6.410 1.00 0.00 ATOM 632 OE1 GLU 81 -3.133 8.391 -6.837 1.00 0.00 ATOM 633 OE2 GLU 81 -0.973 8.789 -6.762 1.00 0.00 ATOM 634 O GLU 81 -5.259 4.522 -4.211 1.00 0.00 ATOM 635 C GLU 81 -4.409 5.012 -3.471 1.00 0.00 ATOM 636 N LEU 82 -4.684 5.314 -2.191 1.00 0.00 ATOM 637 CA LEU 82 -5.995 5.094 -1.605 1.00 0.00 ATOM 638 CB LEU 82 -5.898 4.247 -0.344 1.00 0.00 ATOM 639 CG LEU 82 -5.535 2.774 -0.539 1.00 0.00 ATOM 640 CD1 LEU 82 -5.309 2.118 0.814 1.00 0.00 ATOM 641 CD2 LEU 82 -6.650 2.070 -1.296 1.00 0.00 ATOM 642 O LEU 82 -5.727 7.375 -0.960 1.00 0.00 ATOM 643 C LEU 82 -6.500 6.467 -1.149 1.00 0.00 ATOM 644 N ASN 83 -7.819 6.525 -1.148 1.00 0.00 ATOM 645 CA ASN 83 -8.522 7.716 -0.650 1.00 0.00 ATOM 646 CB ASN 83 -9.515 8.242 -1.689 1.00 0.00 ATOM 647 CG ASN 83 -10.555 7.209 -2.075 1.00 0.00 ATOM 648 ND2 ASN 83 -10.735 7.010 -3.375 1.00 0.00 ATOM 649 OD1 ASN 83 -11.189 6.599 -1.212 1.00 0.00 ATOM 650 O ASN 83 -9.079 6.329 1.301 1.00 0.00 ATOM 651 C ASN 83 -9.246 7.363 0.637 1.00 0.00 ATOM 652 N PRO 84 -9.995 8.333 1.165 1.00 0.00 ATOM 653 CA PRO 84 -10.715 8.149 2.440 1.00 0.00 ATOM 654 CB PRO 84 -11.464 9.479 2.598 1.00 0.00 ATOM 655 CG PRO 84 -11.704 9.894 1.185 1.00 0.00 ATOM 656 CD PRO 84 -10.376 9.595 0.534 1.00 0.00 ATOM 657 O PRO 84 -12.345 6.602 1.593 1.00 0.00 ATOM 658 C PRO 84 -11.587 6.935 2.520 1.00 0.00 ATOM 659 N ARG 85 -11.527 6.246 3.746 1.00 0.00 ATOM 660 CA ARG 85 -12.360 5.070 3.966 1.00 0.00 ATOM 661 CB ARG 85 -13.887 5.501 3.914 1.00 0.00 ATOM 662 CG ARG 85 -14.361 6.580 4.877 1.00 0.00 ATOM 663 CD ARG 85 -14.338 6.129 6.323 1.00 0.00 ATOM 664 NE ARG 85 -15.113 4.914 6.546 1.00 0.00 ATOM 665 CZ ARG 85 -16.275 4.867 7.189 1.00 0.00 ATOM 666 NH1 ARG 85 -16.832 5.982 7.626 1.00 0.00 ATOM 667 NH2 ARG 85 -16.903 3.703 7.372 1.00 0.00 ATOM 668 O ARG 85 -12.546 2.795 3.343 1.00 0.00 ATOM 669 C ARG 85 -11.854 3.810 3.249 1.00 0.00 ATOM 670 N HIS 86 -10.700 3.928 2.612 1.00 0.00 ATOM 671 CA HIS 86 -10.106 2.763 1.951 1.00 0.00 ATOM 672 CB HIS 86 -9.627 3.131 0.546 1.00 0.00 ATOM 673 CG HIS 86 -10.737 3.399 -0.421 1.00 0.00 ATOM 674 CD2 HIS 86 -12.189 3.281 -0.394 1.00 0.00 ATOM 675 ND1 HIS 86 -10.516 3.878 -1.694 1.00 0.00 ATOM 676 CE1 HIS 86 -11.700 4.018 -2.320 1.00 0.00 ATOM 677 NE2 HIS 86 -12.707 3.661 -1.547 1.00 0.00 ATOM 678 O HIS 86 -8.259 2.887 3.487 1.00 0.00 ATOM 679 C HIS 86 -8.885 2.227 2.683 1.00 0.00 ATOM 680 N GLN 87 -8.658 0.926 2.495 1.00 0.00 ATOM 681 CA GLN 87 -7.543 0.232 3.142 1.00 0.00 ATOM 682 CB GLN 87 -8.083 -0.709 4.221 1.00 0.00 ATOM 683 CG GLN 87 -8.822 -0.005 5.347 1.00 0.00 ATOM 684 CD GLN 87 -9.301 -0.963 6.419 1.00 0.00 ATOM 685 OE1 GLN 87 -9.194 -2.180 6.271 1.00 0.00 ATOM 686 NE2 GLN 87 -9.832 -0.415 7.507 1.00 0.00 ATOM 687 O GLN 87 -7.434 -1.490 1.492 1.00 0.00 ATOM 688 C GLN 87 -6.793 -0.716 2.202 1.00 0.00 ATOM 689 N HIS 88 -5.458 -0.698 2.263 1.00 0.00 ATOM 690 CA HIS 88 -4.701 -1.651 1.429 1.00 0.00 ATOM 691 CB HIS 88 -3.788 -0.836 0.551 1.00 0.00 ATOM 692 CG HIS 88 -4.334 -0.686 -0.834 1.00 0.00 ATOM 693 CD2 HIS 88 -5.335 -1.339 -1.471 1.00 0.00 ATOM 694 ND1 HIS 88 -3.807 0.194 -1.751 1.00 0.00 ATOM 695 CE1 HIS 88 -4.457 0.078 -2.894 1.00 0.00 ATOM 696 NE2 HIS 88 -5.390 -0.846 -2.750 1.00 0.00 ATOM 697 O HIS 88 -3.395 -1.918 3.406 1.00 0.00 ATOM 698 C HIS 88 -3.517 -2.223 2.223 1.00 0.00 ATOM 699 N THR 89 -2.672 -3.019 1.581 1.00 0.00 ATOM 700 CA THR 89 -1.507 -3.507 2.365 1.00 0.00 ATOM 701 CB THR 89 -1.916 -4.698 3.252 1.00 0.00 ATOM 702 CG2 THR 89 -2.215 -5.920 2.399 1.00 0.00 ATOM 703 OG1 THR 89 -0.850 -5.014 4.155 1.00 0.00 ATOM 704 O THR 89 -0.908 -4.404 0.221 1.00 0.00 ATOM 705 C THR 89 -0.528 -4.045 1.339 1.00 0.00 ATOM 706 N VAL 90 0.735 -4.198 1.782 1.00 0.00 ATOM 707 CA VAL 90 1.766 -4.730 0.918 1.00 0.00 ATOM 708 CB VAL 90 2.509 -3.618 0.191 1.00 0.00 ATOM 709 CG1 VAL 90 1.571 -2.906 -0.735 1.00 0.00 ATOM 710 CG2 VAL 90 3.156 -2.597 1.105 1.00 0.00 ATOM 711 O VAL 90 3.167 -5.205 2.809 1.00 0.00 ATOM 712 C VAL 90 2.706 -5.606 1.740 1.00 0.00 ATOM 713 N THR 91 2.974 -6.783 1.240 1.00 0.00 ATOM 714 CA THR 91 3.888 -7.704 1.902 1.00 0.00 ATOM 715 CB THR 91 3.205 -9.077 2.040 1.00 0.00 ATOM 716 CG2 THR 91 4.102 -10.047 2.795 1.00 0.00 ATOM 717 OG1 THR 91 1.972 -8.930 2.759 1.00 0.00 ATOM 718 O THR 91 5.112 -7.884 -0.117 1.00 0.00 ATOM 719 C THR 91 5.168 -7.836 1.110 1.00 0.00 ATOM 720 N LEU 92 6.316 -7.860 1.763 1.00 0.00 ATOM 721 CA LEU 92 7.580 -7.968 1.005 1.00 0.00 ATOM 722 CB LEU 92 8.288 -6.599 0.935 1.00 0.00 ATOM 723 CG LEU 92 9.707 -6.630 0.394 1.00 0.00 ATOM 724 CD1 LEU 92 9.699 -7.005 -1.081 1.00 0.00 ATOM 725 CD2 LEU 92 10.302 -5.234 0.529 1.00 0.00 ATOM 726 O LEU 92 8.773 -8.732 2.926 1.00 0.00 ATOM 727 C LEU 92 8.614 -8.825 1.714 1.00 0.00 ATOM 728 N TYR 93 9.451 -9.514 0.964 1.00 0.00 ATOM 729 CA TYR 93 10.443 -10.344 1.608 1.00 0.00 ATOM 730 CB TYR 93 11.086 -11.247 0.556 1.00 0.00 ATOM 731 CG TYR 93 10.158 -12.311 0.011 1.00 0.00 ATOM 732 CD1 TYR 93 9.474 -12.114 -1.181 1.00 0.00 ATOM 733 CD2 TYR 93 9.971 -13.507 0.691 1.00 0.00 ATOM 734 CE1 TYR 93 8.624 -13.079 -1.686 1.00 0.00 ATOM 735 CE2 TYR 93 9.126 -14.485 0.201 1.00 0.00 ATOM 736 CZ TYR 93 8.450 -14.261 -0.997 1.00 0.00 ATOM 737 OH TYR 93 7.604 -15.224 -1.498 1.00 0.00 ATOM 738 O TYR 93 12.053 -8.590 1.738 1.00 0.00 ATOM 739 C TYR 93 11.514 -9.533 2.304 1.00 0.00 ATOM 740 N ALA 94 11.814 -9.932 3.540 1.00 0.00 ATOM 741 CA ALA 94 12.801 -9.282 4.388 1.00 0.00 ATOM 742 CB ALA 94 12.766 -9.870 5.790 1.00 0.00 ATOM 743 O ALA 94 14.990 -8.496 3.911 1.00 0.00 ATOM 744 C ALA 94 14.157 -9.368 3.691 1.00 0.00 ATOM 745 N LYS 95 14.322 -10.469 2.903 1.00 0.00 ATOM 746 CA LYS 95 15.590 -10.680 2.199 1.00 0.00 ATOM 747 CB LYS 95 15.535 -12.194 1.629 1.00 0.00 ATOM 748 CG LYS 95 16.654 -12.449 0.547 1.00 0.00 ATOM 749 CD LYS 95 16.764 -13.912 0.205 1.00 0.00 ATOM 750 CE LYS 95 17.868 -14.071 -0.816 1.00 0.00 ATOM 751 NZ LYS 95 18.098 -15.536 -1.138 1.00 0.00 ATOM 752 O LYS 95 17.106 -9.236 1.014 1.00 0.00 ATOM 753 C LYS 95 15.925 -9.563 1.201 1.00 0.00 ATOM 754 N GLY 96 14.863 -8.918 0.565 1.00 0.00 ATOM 755 CA GLY 96 15.048 -7.804 -0.374 1.00 0.00 ATOM 756 O GLY 96 16.022 -5.613 -0.411 1.00 0.00 ATOM 757 C GLY 96 15.644 -6.568 0.273 1.00 0.00 ATOM 758 N LEU 97 15.756 -6.595 1.629 1.00 0.00 ATOM 759 CA LEU 97 16.301 -5.464 2.372 1.00 0.00 ATOM 760 CB LEU 97 15.429 -5.045 3.559 1.00 0.00 ATOM 761 CG LEU 97 14.022 -4.548 3.225 1.00 0.00 ATOM 762 CD1 LEU 97 13.245 -4.242 4.497 1.00 0.00 ATOM 763 CD2 LEU 97 14.081 -3.281 2.388 1.00 0.00 ATOM 764 O LEU 97 17.912 -7.067 3.076 1.00 0.00 ATOM 765 C LEU 97 17.661 -5.886 2.846 1.00 0.00 ATOM 766 N THR 98 18.554 -4.899 3.020 1.00 0.00 ATOM 767 CA THR 98 19.875 -5.181 3.507 1.00 0.00 ATOM 768 CB THR 98 20.969 -4.741 2.517 1.00 0.00 ATOM 769 CG2 THR 98 20.809 -5.470 1.190 1.00 0.00 ATOM 770 OG1 THR 98 20.867 -3.330 2.285 1.00 0.00 ATOM 771 O THR 98 19.821 -3.154 4.793 1.00 0.00 ATOM 772 C THR 98 20.191 -4.340 4.736 1.00 0.00 ATOM 773 N CYS 99 20.925 -4.982 5.672 1.00 0.00 ATOM 774 CA CYS 99 21.317 -4.258 6.876 1.00 0.00 ATOM 775 CB CYS 99 21.813 -5.130 8.013 1.00 0.00 ATOM 776 SG CYS 99 20.660 -6.313 8.622 1.00 0.00 ATOM 777 O CYS 99 22.629 -2.329 7.413 1.00 0.00 ATOM 778 C CYS 99 22.356 -3.195 6.574 1.00 0.00 ATOM 779 N LYS 100 23.017 -3.145 5.336 1.00 0.00 ATOM 780 CA LYS 100 24.016 -2.142 5.004 1.00 0.00 ATOM 781 CB LYS 100 24.967 -2.652 3.919 1.00 0.00 ATOM 782 CG LYS 100 25.831 -3.825 4.353 1.00 0.00 ATOM 783 CD LYS 100 26.717 -4.308 3.215 1.00 0.00 ATOM 784 CE LYS 100 27.589 -5.474 3.653 1.00 0.00 ATOM 785 NZ LYS 100 28.484 -5.938 2.557 1.00 0.00 ATOM 786 O LYS 100 24.217 0.101 4.211 1.00 0.00 ATOM 787 C LYS 100 23.436 -0.850 4.425 1.00 0.00 ATOM 788 N ALA 101 22.148 -0.823 4.152 1.00 0.00 ATOM 789 CA ALA 101 21.521 0.359 3.578 1.00 0.00 ATOM 790 CB ALA 101 20.781 -0.069 2.320 1.00 0.00 ATOM 791 O ALA 101 19.872 0.365 5.323 1.00 0.00 ATOM 792 C ALA 101 20.458 0.998 4.455 1.00 0.00 ATOM 793 N ASP 102 20.227 2.274 4.148 1.00 0.00 ATOM 794 CA ASP 102 19.144 3.034 4.818 1.00 0.00 ATOM 795 CB ASP 102 19.607 4.448 5.174 1.00 0.00 ATOM 796 CG ASP 102 20.797 4.452 6.112 1.00 0.00 ATOM 797 OD1 ASP 102 20.733 3.775 7.158 1.00 0.00 ATOM 798 OD2 ASP 102 21.797 5.135 5.801 1.00 0.00 ATOM 799 O ASP 102 18.092 3.334 2.752 1.00 0.00 ATOM 800 C ASP 102 17.877 3.126 3.935 1.00 0.00 ATOM 801 N THR 103 16.730 2.970 4.561 1.00 0.00 ATOM 802 CA THR 103 15.491 2.953 3.742 1.00 0.00 ATOM 803 CB THR 103 14.780 1.593 3.849 1.00 0.00 ATOM 804 CG2 THR 103 13.548 1.564 2.954 1.00 0.00 ATOM 805 OG1 THR 103 15.672 0.549 3.443 1.00 0.00 ATOM 806 O THR 103 14.507 4.434 5.358 1.00 0.00 ATOM 807 C THR 103 14.511 4.030 4.200 1.00 0.00 ATOM 808 N LEU 104 13.710 4.560 3.300 1.00 0.00 ATOM 809 CA LEU 104 12.737 5.586 3.619 1.00 0.00 ATOM 810 CB LEU 104 13.178 6.938 3.054 1.00 0.00 ATOM 811 CG LEU 104 14.447 7.544 3.658 1.00 0.00 ATOM 812 CD1 LEU 104 14.888 8.766 2.868 1.00 0.00 ATOM 813 CD2 LEU 104 14.207 7.969 5.099 1.00 0.00 ATOM 814 O LEU 104 11.410 4.694 1.866 1.00 0.00 ATOM 815 C LEU 104 11.419 5.193 2.982 1.00 0.00 ATOM 816 N SER 105 10.348 5.386 3.693 1.00 0.00 ATOM 817 CA SER 105 9.006 5.113 3.143 1.00 0.00 ATOM 818 CB SER 105 8.140 4.431 4.184 1.00 0.00 ATOM 819 OG SER 105 6.824 4.239 3.685 1.00 0.00 ATOM 820 O SER 105 8.621 7.423 3.744 1.00 0.00 ATOM 821 C SER 105 8.359 6.481 3.001 1.00 0.00 ATOM 822 N SER 106 7.592 6.698 1.903 1.00 0.00 ATOM 823 CA SER 106 7.058 8.032 1.673 1.00 0.00 ATOM 824 CB SER 106 8.126 8.904 1.010 1.00 0.00 ATOM 825 OG SER 106 7.620 10.193 0.711 1.00 0.00 ATOM 826 O SER 106 5.522 6.807 0.329 1.00 0.00 ATOM 827 C SER 106 5.834 7.908 0.741 1.00 0.00 ATOM 828 N CYS 107 5.095 9.007 0.702 1.00 0.00 ATOM 829 CA CYS 107 3.894 9.055 -0.172 1.00 0.00 ATOM 830 CB CYS 107 2.770 9.840 0.507 1.00 0.00 ATOM 831 SG CYS 107 1.253 9.968 -0.470 1.00 0.00 ATOM 832 O CYS 107 4.914 10.787 -1.471 1.00 0.00 ATOM 833 C CYS 107 4.260 9.729 -1.470 1.00 0.00 ATOM 834 N ASP 108 3.946 9.241 -2.671 1.00 0.00 ATOM 835 CA ASP 108 4.368 9.868 -3.900 1.00 0.00 ATOM 836 CB ASP 108 3.959 9.018 -5.104 1.00 0.00 ATOM 837 CG ASP 108 4.799 7.762 -5.242 1.00 0.00 ATOM 838 OD1 ASP 108 5.845 7.671 -4.566 1.00 0.00 ATOM 839 OD2 ASP 108 4.411 6.872 -6.027 1.00 0.00 ATOM 840 O ASP 108 4.327 12.237 -4.475 1.00 0.00 ATOM 841 C ASP 108 3.704 11.251 -4.021 1.00 0.00 ATOM 842 N TYR 109 2.448 11.337 -3.640 1.00 0.00 ATOM 843 CA TYR 109 1.701 12.619 -3.812 1.00 0.00 ATOM 844 CB TYR 109 0.214 12.421 -3.509 1.00 0.00 ATOM 845 CG TYR 109 -0.611 13.682 -3.631 1.00 0.00 ATOM 846 CD1 TYR 109 -1.000 14.161 -4.874 1.00 0.00 ATOM 847 CD2 TYR 109 -0.997 14.392 -2.499 1.00 0.00 ATOM 848 CE1 TYR 109 -1.754 15.312 -4.994 1.00 0.00 ATOM 849 CE2 TYR 109 -1.749 15.545 -2.600 1.00 0.00 ATOM 850 CZ TYR 109 -2.128 16.004 -3.861 1.00 0.00 ATOM 851 OH TYR 109 -2.877 17.150 -3.977 1.00 0.00 ATOM 852 O TYR 109 2.618 14.793 -3.335 1.00 0.00 ATOM 853 C TYR 109 2.236 13.690 -2.890 1.00 0.00 ATOM 854 N VAL 110 2.320 13.386 -1.598 1.00 0.00 ATOM 855 CA VAL 110 2.814 14.361 -0.620 1.00 0.00 ATOM 856 CB VAL 110 2.562 13.883 0.822 1.00 0.00 ATOM 857 CG1 VAL 110 3.082 14.908 1.821 1.00 0.00 ATOM 858 CG2 VAL 110 1.075 13.687 1.067 1.00 0.00 ATOM 859 O VAL 110 4.732 15.346 0.161 1.00 0.00 ATOM 860 C VAL 110 4.302 14.624 -0.746 1.00 0.00 ATOM 861 N TYR 111 5.725 14.000 -0.933 1.00 0.00 ATOM 862 CA TYR 111 6.909 13.354 -0.378 1.00 0.00 ATOM 863 CB TYR 111 8.105 13.666 -1.552 1.00 0.00 ATOM 864 CG TYR 111 7.671 14.257 -2.883 1.00 0.00 ATOM 865 CD1 TYR 111 6.980 13.498 -3.810 1.00 0.00 ATOM 866 CD2 TYR 111 7.990 15.563 -3.219 1.00 0.00 ATOM 867 CE1 TYR 111 6.596 14.025 -5.032 1.00 0.00 ATOM 868 CE2 TYR 111 7.612 16.106 -4.448 1.00 0.00 ATOM 869 CZ TYR 111 6.912 15.337 -5.346 1.00 0.00 ATOM 870 OH TYR 111 6.526 15.852 -6.567 1.00 0.00 ATOM 871 O TYR 111 8.285 13.512 1.580 1.00 0.00 ATOM 872 C TYR 111 7.695 14.127 0.684 1.00 0.00 ATOM 873 N LEU 112 7.769 15.421 0.588 1.00 0.00 ATOM 874 CA LEU 112 8.502 16.227 1.553 1.00 0.00 ATOM 875 CB LEU 112 8.457 17.695 1.180 1.00 0.00 ATOM 876 CG LEU 112 9.210 18.044 -0.100 1.00 0.00 ATOM 877 CD1 LEU 112 8.966 19.476 -0.502 1.00 0.00 ATOM 878 CD2 LEU 112 10.691 17.786 0.084 1.00 0.00 ATOM 879 O LEU 112 8.758 16.243 3.893 1.00 0.00 ATOM 880 C LEU 112 7.985 16.128 2.953 1.00 0.00 ATOM 881 N ALA 113 6.619 16.016 3.330 1.00 0.00 ATOM 882 CA ALA 113 6.058 15.935 4.676 1.00 0.00 ATOM 883 CB ALA 113 4.834 16.804 4.923 1.00 0.00 ATOM 884 O ALA 113 5.770 14.034 6.199 1.00 0.00 ATOM 885 C ALA 113 5.697 14.504 5.055 1.00 0.00 ATOM 886 N VAL 114 5.203 13.792 4.045 1.00 0.00 ATOM 887 CA VAL 114 4.738 12.428 4.241 1.00 0.00 ATOM 888 CB VAL 114 3.518 12.115 3.353 1.00 0.00 ATOM 889 CG1 VAL 114 3.030 10.696 3.599 1.00 0.00 ATOM 890 CG2 VAL 114 2.379 13.075 3.657 1.00 0.00 ATOM 891 O VAL 114 5.943 10.890 2.797 1.00 0.00 ATOM 892 C VAL 114 5.837 11.441 3.892 1.00 0.00 ATOM 893 N TYR 115 6.666 11.195 4.899 1.00 0.00 ATOM 894 CA TYR 115 7.803 10.305 4.727 1.00 0.00 ATOM 895 CB TYR 115 8.964 11.048 4.062 1.00 0.00 ATOM 896 CG TYR 115 9.503 12.199 4.883 1.00 0.00 ATOM 897 CD1 TYR 115 10.538 12.004 5.787 1.00 0.00 ATOM 898 CD2 TYR 115 8.975 13.476 4.746 1.00 0.00 ATOM 899 CE1 TYR 115 11.037 13.050 6.540 1.00 0.00 ATOM 900 CE2 TYR 115 9.462 14.535 5.492 1.00 0.00 ATOM 901 CZ TYR 115 10.500 14.310 6.393 1.00 0.00 ATOM 902 OH TYR 115 10.995 15.353 7.142 1.00 0.00 ATOM 903 O TYR 115 7.982 10.422 7.085 1.00 0.00 ATOM 904 C TYR 115 8.271 9.781 6.079 1.00 0.00 ATOM 905 N PRO 116 8.963 8.469 6.251 1.00 0.00 ATOM 906 CA PRO 116 9.340 7.851 7.530 1.00 0.00 ATOM 907 CB PRO 116 8.053 7.158 7.947 1.00 0.00 ATOM 908 CG PRO 116 7.534 6.645 6.618 1.00 0.00 ATOM 909 CD PRO 116 7.780 7.819 5.675 1.00 0.00 ATOM 910 O PRO 116 10.942 6.776 6.128 1.00 0.00 ATOM 911 C PRO 116 10.566 6.981 7.287 1.00 0.00 ATOM 912 N THR 117 11.127 6.472 8.382 1.00 0.00 ATOM 913 CA THR 117 12.297 5.604 8.240 1.00 0.00 ATOM 914 CB THR 117 13.392 6.006 9.242 1.00 0.00 ATOM 915 CG2 THR 117 14.615 5.116 9.079 1.00 0.00 ATOM 916 OG1 THR 117 13.777 7.369 9.016 1.00 0.00 ATOM 917 O THR 117 11.717 3.770 9.661 1.00 0.00 ATOM 918 C THR 117 12.170 4.134 8.578 1.00 0.00 ATOM 919 N PRO 118 12.418 3.246 7.623 1.00 0.00 ATOM 920 CA PRO 118 12.338 1.814 7.892 1.00 0.00 ATOM 921 CB PRO 118 11.705 1.225 6.608 1.00 0.00 ATOM 922 CG PRO 118 12.210 2.264 5.522 1.00 0.00 ATOM 923 CD PRO 118 12.084 3.532 6.207 1.00 0.00 ATOM 924 O PRO 118 14.685 1.638 7.430 1.00 0.00 ATOM 925 C PRO 118 13.739 1.255 8.123 1.00 0.00 ATOM 926 N GLU 119 13.827 0.343 9.058 1.00 0.00 ATOM 927 CA GLU 119 15.105 -0.292 9.404 1.00 0.00 ATOM 928 CB GLU 119 15.836 0.422 10.542 1.00 0.00 ATOM 929 CG GLU 119 16.165 1.878 10.252 1.00 0.00 ATOM 930 CD GLU 119 16.905 2.548 11.393 1.00 0.00 ATOM 931 OE1 GLU 119 17.120 1.886 12.430 1.00 0.00 ATOM 932 OE2 GLU 119 17.270 3.733 11.250 1.00 0.00 ATOM 933 O GLU 119 13.990 -2.129 10.450 1.00 0.00 ATOM 934 C GLU 119 14.928 -1.784 9.711 1.00 0.00 ATOM 935 N MET 120 16.010 -2.529 9.359 1.00 0.00 ATOM 936 CA MET 120 15.947 -3.950 9.698 1.00 0.00 ATOM 937 CB MET 120 16.910 -4.629 8.724 1.00 0.00 ATOM 938 CG MET 120 16.466 -4.569 7.270 1.00 0.00 ATOM 939 SD MET 120 14.918 -5.442 6.978 1.00 0.00 ATOM 940 CE MET 120 15.451 -7.143 7.144 1.00 0.00 ATOM 941 O MET 120 17.510 -3.521 11.443 1.00 0.00 ATOM 942 C MET 120 16.456 -4.089 11.128 1.00 0.00 ATOM 943 N LYS 121 15.700 -4.714 11.956 1.00 0.00 ATOM 944 CA LYS 121 16.021 -4.962 13.358 1.00 0.00 ATOM 945 CB LYS 121 14.760 -4.855 14.217 1.00 0.00 ATOM 946 CG LYS 121 15.012 -4.978 15.711 1.00 0.00 ATOM 947 CD LYS 121 13.716 -4.898 16.499 1.00 0.00 ATOM 948 CE LYS 121 13.970 -5.012 17.993 1.00 0.00 ATOM 949 NZ LYS 121 12.709 -4.930 18.780 1.00 0.00 ATOM 950 O LYS 121 15.968 -7.346 13.091 1.00 0.00 ATOM 951 C LYS 121 16.603 -6.375 13.477 1.00 0.00 ATOM 952 N ASN 122 17.841 -6.399 13.963 1.00 0.00 ATOM 953 CA ASN 122 18.640 -7.621 14.058 1.00 0.00 ATOM 954 CB ASN 122 18.458 -8.416 15.283 1.00 0.00 ATOM 955 CG ASN 122 17.081 -8.402 15.883 1.00 0.00 ATOM 956 ND2 ASN 122 16.930 -8.039 17.143 1.00 0.00 ATOM 957 OD1 ASN 122 16.118 -8.729 15.191 1.00 0.00 ATOM 958 O ASN 122 18.537 -9.635 12.707 1.00 0.00 ATOM 959 C ASN 122 18.657 -8.405 12.726 1.00 0.00 TER END