PFRMAT TS TARGET T0242 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 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 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 METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates 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 We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. 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. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD This is model try18-opt2, which forms a rather different sheet than METHOD our first model, but scores reasonably well. REMARK 6 REMARK 6 T0242 model 2 Sun Aug 22 19:46:40 2004 MODEL 2 PARENT 1ixr_C 1ixs_B 1ry2_A 1in5_A 1in7_A REMARK 7 REMARK 7 ALLPARENTS 1ixr_C 1ixs_B 1ry2_A 1in5_A 1in7_A 1in8_A 1j7k_A REMARK 7 ALLPARENTS 1n3y_A 1g2y_A 1otr_B 1fxl_A 1sjy_A 1kgd_A 1uqr_A REMARK 7 ALLPARENTS 1byw_A 1nww_A 1ojq_A 1h9m_A 1h6t_A 1s96_A 1fm0_E REMARK 7 ALLPARENTS 1hh1_A ATOM 1 N MET 1 -2.970 -2.102 13.792 1.00 0.00 ATOM 2 CA MET 1 -4.151 -2.164 12.935 1.00 0.00 ATOM 3 CB MET 1 -4.477 -0.781 12.370 1.00 0.00 ATOM 4 CG MET 1 -4.983 0.210 13.408 1.00 0.00 ATOM 5 SD MET 1 -5.230 1.863 12.730 1.00 0.00 ATOM 6 CE MET 1 -6.623 1.577 11.642 1.00 0.00 ATOM 7 O MET 1 -3.119 -4.330 12.809 1.00 0.00 ATOM 8 C MET 1 -3.350 -3.261 12.241 1.00 0.00 ATOM 9 N GLY 2 -2.928 -2.985 11.010 1.00 0.00 ATOM 10 CA GLY 2 -2.161 -3.958 10.252 1.00 0.00 ATOM 11 O GLY 2 -0.281 -5.366 10.264 1.00 0.00 ATOM 12 C GLY 2 -0.784 -4.312 10.705 1.00 0.00 ATOM 13 N LYS 3 -0.144 -3.478 11.513 1.00 0.00 ATOM 14 CA LYS 3 1.245 -3.704 11.913 1.00 0.00 ATOM 15 CB LYS 3 2.223 -2.623 11.448 1.00 0.00 ATOM 16 CG LYS 3 2.335 -2.495 9.938 1.00 0.00 ATOM 17 CD LYS 3 2.926 -3.752 9.321 1.00 0.00 ATOM 18 CE LYS 3 3.156 -3.578 7.828 1.00 0.00 ATOM 19 NZ LYS 3 1.875 -3.535 7.069 1.00 0.00 ATOM 20 O LYS 3 0.530 -2.938 14.080 1.00 0.00 ATOM 21 C LYS 3 1.355 -3.577 13.430 1.00 0.00 ATOM 22 N VAL 4 2.329 -4.214 13.987 1.00 0.00 ATOM 23 CA VAL 4 2.530 -4.175 15.426 1.00 0.00 ATOM 24 CB VAL 4 2.299 -5.566 16.047 1.00 0.00 ATOM 25 CG1 VAL 4 0.871 -6.029 15.800 1.00 0.00 ATOM 26 CG2 VAL 4 3.249 -6.586 15.438 1.00 0.00 ATOM 27 O VAL 4 4.858 -4.005 14.910 1.00 0.00 ATOM 28 C VAL 4 3.951 -3.701 15.683 1.00 0.00 ATOM 29 N PHE 5 4.146 -2.997 16.787 1.00 0.00 ATOM 30 CA PHE 5 5.465 -2.524 17.181 1.00 0.00 ATOM 31 CB PHE 5 5.456 -1.010 17.473 1.00 0.00 ATOM 32 CG PHE 5 6.747 -0.470 18.065 1.00 0.00 ATOM 33 CD1 PHE 5 7.727 0.033 17.275 1.00 0.00 ATOM 34 CD2 PHE 5 6.951 -0.484 19.429 1.00 0.00 ATOM 35 CE1 PHE 5 8.910 0.580 17.840 1.00 0.00 ATOM 36 CE2 PHE 5 8.101 -0.003 19.984 1.00 0.00 ATOM 37 CZ PHE 5 9.089 0.501 19.193 1.00 0.00 ATOM 38 O PHE 5 5.188 -3.507 19.382 1.00 0.00 ATOM 39 C PHE 5 5.907 -3.375 18.372 1.00 0.00 ATOM 40 N LEU 6 7.111 -3.959 18.273 1.00 0.00 ATOM 41 CA LEU 6 7.650 -4.816 19.318 1.00 0.00 ATOM 42 CB LEU 6 7.901 -6.224 18.773 1.00 0.00 ATOM 43 CG LEU 6 8.521 -7.227 19.747 1.00 0.00 ATOM 44 CD1 LEU 6 7.581 -7.498 20.912 1.00 0.00 ATOM 45 CD2 LEU 6 8.808 -8.548 19.050 1.00 0.00 ATOM 46 O LEU 6 9.888 -4.044 18.960 1.00 0.00 ATOM 47 C LEU 6 8.971 -4.230 19.767 1.00 0.00 ATOM 48 N THR 7 9.036 -3.908 21.051 1.00 0.00 ATOM 49 CA THR 7 10.199 -3.276 21.629 1.00 0.00 ATOM 50 CB THR 7 10.346 -2.155 22.202 1.00 0.00 ATOM 51 CG2 THR 7 11.403 -2.188 23.292 1.00 0.00 ATOM 52 OG1 THR 7 10.829 -1.370 21.105 1.00 0.00 ATOM 53 O THR 7 10.241 -5.168 23.149 1.00 0.00 ATOM 54 C THR 7 10.833 -4.498 22.295 1.00 0.00 ATOM 55 N ASN 8 12.130 -4.603 22.017 1.00 0.00 ATOM 56 CA ASN 8 12.884 -5.719 22.580 1.00 0.00 ATOM 57 CB ASN 8 12.623 -6.821 21.694 1.00 0.00 ATOM 58 CG ASN 8 12.010 -6.749 20.309 1.00 0.00 ATOM 59 ND2 ASN 8 11.827 -7.915 19.695 1.00 0.00 ATOM 60 OD1 ASN 8 11.703 -5.676 19.795 1.00 0.00 ATOM 61 O ASN 8 14.537 -5.093 20.947 1.00 0.00 ATOM 62 C ASN 8 14.269 -5.748 21.949 1.00 0.00 ATOM 63 N ALA 9 15.049 -6.737 22.558 1.00 0.00 ATOM 64 CA ALA 9 16.382 -6.974 22.013 1.00 0.00 ATOM 65 CB ALA 9 17.275 -7.634 23.083 1.00 0.00 ATOM 66 O ALA 9 15.502 -8.635 20.516 1.00 0.00 ATOM 67 C ALA 9 16.344 -7.753 20.702 1.00 0.00 ATOM 68 N PHE 10 17.263 -7.426 19.799 1.00 0.00 ATOM 69 CA PHE 10 17.347 -8.083 18.507 1.00 0.00 ATOM 70 CB PHE 10 16.409 -7.394 17.515 1.00 0.00 ATOM 71 CG PHE 10 16.722 -5.943 17.291 1.00 0.00 ATOM 72 CD1 PHE 10 17.567 -5.553 16.266 1.00 0.00 ATOM 73 CD2 PHE 10 16.175 -4.967 18.105 1.00 0.00 ATOM 74 CE1 PHE 10 17.856 -4.217 16.059 1.00 0.00 ATOM 75 CE2 PHE 10 16.464 -3.632 17.899 1.00 0.00 ATOM 76 CZ PHE 10 17.300 -3.255 16.880 1.00 0.00 ATOM 77 O PHE 10 19.685 -7.659 18.782 1.00 0.00 ATOM 78 C PHE 10 18.789 -7.997 18.016 1.00 0.00 ATOM 79 N SER 11 19.029 -8.328 16.748 1.00 0.00 ATOM 80 CA SER 11 20.367 -8.235 16.206 1.00 0.00 ATOM 81 CB SER 11 21.100 -9.569 16.356 1.00 0.00 ATOM 82 OG SER 11 20.528 -10.562 15.523 1.00 0.00 ATOM 83 O SER 11 19.339 -7.613 14.133 1.00 0.00 ATOM 84 C SER 11 20.378 -7.882 14.739 1.00 0.00 ATOM 85 N ILE 12 21.609 -7.840 14.175 1.00 0.00 ATOM 86 CA ILE 12 21.703 -7.469 12.766 1.00 0.00 ATOM 87 CB ILE 12 23.161 -7.492 12.273 1.00 0.00 ATOM 88 CG1 ILE 12 23.969 -6.378 12.943 1.00 0.00 ATOM 89 CG2 ILE 12 23.218 -7.288 10.767 1.00 0.00 ATOM 90 CD1 ILE 12 25.462 -6.489 12.722 1.00 0.00 ATOM 91 O ILE 12 20.093 -8.005 11.071 1.00 0.00 ATOM 92 C ILE 12 20.866 -8.433 11.923 1.00 0.00 ATOM 93 N ASN 13 21.000 -9.734 12.183 1.00 0.00 ATOM 94 CA ASN 13 20.247 -10.753 11.445 1.00 0.00 ATOM 95 CB ASN 13 20.584 -12.149 11.971 1.00 0.00 ATOM 96 CG ASN 13 21.937 -12.642 11.497 1.00 0.00 ATOM 97 ND2 ASN 13 22.489 -13.623 12.199 1.00 0.00 ATOM 98 OD1 ASN 13 22.478 -12.142 10.510 1.00 0.00 ATOM 99 O ASN 13 17.924 -10.718 10.754 1.00 0.00 ATOM 100 C ASN 13 18.770 -10.544 11.639 1.00 0.00 ATOM 101 N MET 14 18.374 -10.148 12.891 1.00 0.00 ATOM 102 CA MET 14 16.938 -9.988 13.115 1.00 0.00 ATOM 103 CB MET 14 16.657 -9.675 14.586 1.00 0.00 ATOM 104 CG MET 14 16.925 -10.837 15.530 1.00 0.00 ATOM 105 SD MET 14 15.904 -12.278 15.166 1.00 0.00 ATOM 106 CE MET 14 14.283 -11.668 15.628 1.00 0.00 ATOM 107 O MET 14 15.253 -8.889 11.792 1.00 0.00 ATOM 108 C MET 14 16.384 -8.854 12.274 1.00 0.00 ATOM 109 N LEU 15 17.187 -7.759 12.167 1.00 0.00 ATOM 110 CA LEU 15 16.745 -6.625 11.366 1.00 0.00 ATOM 111 CB LEU 15 17.626 -5.398 11.831 1.00 0.00 ATOM 112 CG LEU 15 17.479 -4.055 11.158 1.00 0.00 ATOM 113 CD1 LEU 15 16.112 -3.551 11.261 1.00 0.00 ATOM 114 CD2 LEU 15 18.353 -2.929 11.759 1.00 0.00 ATOM 115 O LEU 15 15.966 -6.509 9.095 1.00 0.00 ATOM 116 C LEU 15 16.810 -6.969 9.882 1.00 0.00 ATOM 117 N LYS 16 17.857 -7.720 9.472 1.00 0.00 ATOM 118 CA LYS 16 17.835 -8.161 8.060 1.00 0.00 ATOM 119 CB LYS 16 19.078 -8.994 7.739 1.00 0.00 ATOM 120 CG LYS 16 20.369 -8.193 7.701 1.00 0.00 ATOM 121 CD LYS 16 21.560 -9.081 7.375 1.00 0.00 ATOM 122 CE LYS 16 22.855 -8.283 7.362 1.00 0.00 ATOM 123 NZ LYS 16 24.035 -9.146 7.077 1.00 0.00 ATOM 124 O LYS 16 16.045 -8.917 6.648 1.00 0.00 ATOM 125 C LYS 16 16.610 -9.016 7.755 1.00 0.00 ATOM 126 N GLU 17 16.197 -9.896 8.665 1.00 0.00 ATOM 127 CA GLU 17 14.979 -10.672 8.476 1.00 0.00 ATOM 128 CB GLU 17 14.773 -11.639 9.644 1.00 0.00 ATOM 129 CG GLU 17 15.761 -12.794 9.676 1.00 0.00 ATOM 130 CD GLU 17 15.606 -13.659 10.911 1.00 0.00 ATOM 131 OE1 GLU 17 14.777 -13.314 11.778 1.00 0.00 ATOM 132 OE2 GLU 17 16.314 -14.683 11.012 1.00 0.00 ATOM 133 O GLU 17 12.821 -10.092 7.609 1.00 0.00 ATOM 134 C GLU 17 13.744 -9.799 8.386 1.00 0.00 ATOM 135 N PHE 18 13.764 -8.590 9.116 1.00 0.00 ATOM 136 CA PHE 18 12.692 -7.609 8.982 1.00 0.00 ATOM 137 CB PHE 18 11.780 -7.642 10.210 1.00 0.00 ATOM 138 CG PHE 18 11.050 -8.941 10.389 1.00 0.00 ATOM 139 CD1 PHE 18 11.579 -9.946 11.181 1.00 0.00 ATOM 140 CD2 PHE 18 9.833 -9.161 9.765 1.00 0.00 ATOM 141 CE1 PHE 18 10.905 -11.142 11.344 1.00 0.00 ATOM 142 CE2 PHE 18 9.161 -10.357 9.929 1.00 0.00 ATOM 143 CZ PHE 18 9.691 -11.346 10.715 1.00 0.00 ATOM 144 O PHE 18 14.341 -5.927 9.399 1.00 0.00 ATOM 145 C PHE 18 13.284 -6.215 8.848 1.00 0.00 ATOM 146 N PRO 19 12.610 -5.329 8.104 1.00 0.00 ATOM 147 CA PRO 19 11.346 -5.581 7.404 1.00 0.00 ATOM 148 CB PRO 19 10.954 -4.190 6.905 1.00 0.00 ATOM 149 CG PRO 19 12.277 -3.562 6.625 1.00 0.00 ATOM 150 CD PRO 19 13.082 -3.962 7.842 1.00 0.00 ATOM 151 O PRO 19 12.617 -6.598 5.636 1.00 0.00 ATOM 152 C PRO 19 11.522 -6.488 6.193 1.00 0.00 ATOM 153 N THR 20 10.438 -7.147 5.806 1.00 0.00 ATOM 154 CA THR 20 10.450 -8.020 4.640 1.00 0.00 ATOM 155 CB THR 20 10.468 -9.441 5.108 1.00 0.00 ATOM 156 CG2 THR 20 11.784 -9.894 4.587 1.00 0.00 ATOM 157 OG1 THR 20 10.405 -9.664 6.535 1.00 0.00 ATOM 158 O THR 20 8.981 -7.174 6.302 1.00 0.00 ATOM 159 C THR 20 9.299 -7.131 5.121 1.00 0.00 ATOM 160 N THR 21 8.686 -6.306 4.283 1.00 0.00 ATOM 161 CA THR 21 7.521 -5.498 4.695 1.00 0.00 ATOM 162 CB THR 21 7.975 -4.035 4.903 1.00 0.00 ATOM 163 CG2 THR 21 8.206 -3.316 3.597 1.00 0.00 ATOM 164 OG1 THR 21 6.959 -3.399 5.712 1.00 0.00 ATOM 165 O THR 21 6.544 -6.083 2.580 1.00 0.00 ATOM 166 C THR 21 6.376 -5.630 3.732 1.00 0.00 ATOM 167 N ILE 22 5.201 -5.257 4.245 1.00 0.00 ATOM 168 CA ILE 22 3.949 -5.193 3.479 1.00 0.00 ATOM 169 CB ILE 22 2.961 -6.289 3.919 1.00 0.00 ATOM 170 CG1 ILE 22 1.692 -6.239 3.068 1.00 0.00 ATOM 171 CG2 ILE 22 2.571 -6.102 5.377 1.00 0.00 ATOM 172 CD1 ILE 22 0.810 -7.460 3.211 1.00 0.00 ATOM 173 O ILE 22 3.302 -3.289 4.787 1.00 0.00 ATOM 174 C ILE 22 3.396 -3.772 3.651 1.00 0.00 ATOM 175 N THR 23 3.060 -3.251 2.524 1.00 0.00 ATOM 176 CA THR 23 2.336 -1.940 2.578 1.00 0.00 ATOM 177 CB THR 23 2.952 -0.791 1.758 1.00 0.00 ATOM 178 CG2 THR 23 2.122 0.475 1.906 1.00 0.00 ATOM 179 OG1 THR 23 4.283 -0.531 2.221 1.00 0.00 ATOM 180 O THR 23 0.685 -2.705 1.011 1.00 0.00 ATOM 181 C THR 23 0.905 -2.152 2.092 1.00 0.00 ATOM 182 N ILE 24 -0.064 -1.823 2.951 1.00 0.00 ATOM 183 CA ILE 24 -1.499 -1.784 2.562 1.00 0.00 ATOM 184 CB ILE 24 -2.403 -2.326 3.684 1.00 0.00 ATOM 185 CG1 ILE 24 -2.054 -3.782 3.995 1.00 0.00 ATOM 186 CG2 ILE 24 -3.865 -2.259 3.267 1.00 0.00 ATOM 187 CD1 ILE 24 -2.740 -4.325 5.227 1.00 0.00 ATOM 188 O ILE 24 -1.805 0.538 3.142 1.00 0.00 ATOM 189 C ILE 24 -1.889 -0.322 2.268 1.00 0.00 ATOM 190 N ASP 25 -2.318 -0.049 1.026 1.00 0.00 ATOM 191 CA ASP 25 -2.725 1.294 0.635 1.00 0.00 ATOM 192 CB ASP 25 -1.852 1.827 -0.397 1.00 0.00 ATOM 193 CG ASP 25 -0.903 2.772 0.313 1.00 0.00 ATOM 194 OD1 ASP 25 -0.940 2.939 1.548 1.00 0.00 ATOM 195 OD2 ASP 25 -0.072 3.402 -0.374 1.00 0.00 ATOM 196 O ASP 25 -3.740 -0.612 -0.372 1.00 0.00 ATOM 197 C ASP 25 -3.305 0.517 -0.542 1.00 0.00 ATOM 198 N LYS 26 -3.566 0.389 -3.869 1.00 0.00 ATOM 199 CA LYS 26 -4.100 -0.258 -5.065 1.00 0.00 ATOM 200 CB LYS 26 -3.800 0.689 -6.229 1.00 0.00 ATOM 201 CG LYS 26 -4.561 2.003 -6.171 1.00 0.00 ATOM 202 CD LYS 26 -6.057 1.781 -6.313 1.00 0.00 ATOM 203 CE LYS 26 -6.812 3.102 -6.337 1.00 0.00 ATOM 204 NZ LYS 26 -6.386 3.962 -7.474 1.00 0.00 ATOM 205 O LYS 26 -3.748 -2.361 -6.147 1.00 0.00 ATOM 206 C LYS 26 -3.413 -1.598 -5.240 1.00 0.00 ATOM 207 N LEU 27 -2.469 -1.899 -4.353 1.00 0.00 ATOM 208 CA LEU 27 -1.738 -3.163 -4.410 1.00 0.00 ATOM 209 CB LEU 27 -0.248 -2.931 -4.156 1.00 0.00 ATOM 210 CG LEU 27 0.468 -1.990 -5.127 1.00 0.00 ATOM 211 CD1 LEU 27 1.917 -1.790 -4.712 1.00 0.00 ATOM 212 CD2 LEU 27 0.452 -2.561 -6.537 1.00 0.00 ATOM 213 O LEU 27 -2.682 -3.677 -2.272 1.00 0.00 ATOM 214 C LEU 27 -2.284 -4.110 -3.347 1.00 0.00 ATOM 215 N ASP 28 -2.271 -5.404 -3.641 1.00 0.00 ATOM 216 CA ASP 28 -2.782 -6.403 -2.711 1.00 0.00 ATOM 217 CB ASP 28 -3.162 -7.685 -3.457 1.00 0.00 ATOM 218 CG ASP 28 -4.418 -7.523 -4.290 1.00 0.00 ATOM 219 OD1 ASP 28 -5.129 -6.512 -4.103 1.00 0.00 ATOM 220 OD2 ASP 28 -4.691 -8.405 -5.130 1.00 0.00 ATOM 221 O ASP 28 -0.558 -6.664 -1.857 1.00 0.00 ATOM 222 C ASP 28 -1.764 -6.783 -1.645 1.00 0.00 ATOM 223 N GLU 29 -2.258 -7.288 -0.518 1.00 0.00 ATOM 224 CA GLU 29 -1.403 -7.686 0.594 1.00 0.00 ATOM 225 CB GLU 29 -2.228 -8.367 1.688 1.00 0.00 ATOM 226 CG GLU 29 -3.117 -7.419 2.476 1.00 0.00 ATOM 227 CD GLU 29 -3.976 -8.139 3.496 1.00 0.00 ATOM 228 OE1 GLU 29 -3.935 -9.386 3.534 1.00 0.00 ATOM 229 OE2 GLU 29 -4.691 -7.455 4.259 1.00 0.00 ATOM 230 O GLU 29 0.816 -8.602 0.573 1.00 0.00 ATOM 231 C GLU 29 -0.344 -8.655 0.142 1.00 0.00 ATOM 232 N GLU 30 -0.740 -9.582 -0.686 1.00 0.00 ATOM 233 CA GLU 30 0.217 -10.538 -1.173 1.00 0.00 ATOM 234 CB GLU 30 -0.473 -11.555 -2.084 1.00 0.00 ATOM 235 CG GLU 30 -1.450 -12.470 -1.364 1.00 0.00 ATOM 236 CD GLU 30 -2.184 -13.399 -2.311 1.00 0.00 ATOM 237 OE1 GLU 30 -1.979 -13.280 -3.538 1.00 0.00 ATOM 238 OE2 GLU 30 -2.963 -14.247 -1.827 1.00 0.00 ATOM 239 O GLU 30 2.534 -10.295 -1.740 1.00 0.00 ATOM 240 C GLU 30 1.385 -9.886 -1.910 1.00 0.00 ATOM 241 N ASP 31 1.095 -8.880 -2.718 1.00 0.00 ATOM 242 CA ASP 31 2.131 -8.187 -3.483 1.00 0.00 ATOM 243 CB ASP 31 1.494 -7.215 -4.476 1.00 0.00 ATOM 244 CG ASP 31 0.810 -7.923 -5.629 1.00 0.00 ATOM 245 OD1 ASP 31 1.035 -9.141 -5.794 1.00 0.00 ATOM 246 OD2 ASP 31 0.050 -7.261 -6.366 1.00 0.00 ATOM 247 O ASP 31 4.267 -7.375 -2.741 1.00 0.00 ATOM 248 C ASP 31 3.043 -7.368 -2.571 1.00 0.00 ATOM 249 N PHE 32 2.479 -6.662 -1.614 1.00 0.00 ATOM 250 CA PHE 32 3.271 -5.833 -0.710 1.00 0.00 ATOM 251 CB PHE 32 2.309 -4.952 0.130 1.00 0.00 ATOM 252 CG PHE 32 1.905 -3.676 -0.539 1.00 0.00 ATOM 253 CD1 PHE 32 0.588 -3.470 -0.933 1.00 0.00 ATOM 254 CD2 PHE 32 2.844 -2.674 -0.775 1.00 0.00 ATOM 255 CE1 PHE 32 0.209 -2.283 -1.554 1.00 0.00 ATOM 256 CE2 PHE 32 2.474 -1.483 -1.394 1.00 0.00 ATOM 257 CZ PHE 32 1.155 -1.288 -1.784 1.00 0.00 ATOM 258 O PHE 32 5.287 -6.250 0.520 1.00 0.00 ATOM 259 C PHE 32 4.145 -6.626 0.257 1.00 0.00 ATOM 260 N CYS 33 3.605 -7.710 0.798 1.00 0.00 ATOM 261 CA CYS 33 4.338 -8.540 1.749 1.00 0.00 ATOM 262 CB CYS 33 3.683 -9.901 1.863 1.00 0.00 ATOM 263 SG CYS 33 4.517 -11.009 3.033 1.00 0.00 ATOM 264 O CYS 33 5.994 -9.212 0.137 1.00 0.00 ATOM 265 C CYS 33 5.757 -8.883 1.297 1.00 0.00 ATOM 266 N LEU 34 6.698 -8.791 2.231 1.00 0.00 ATOM 267 CA LEU 34 8.101 -9.111 1.986 1.00 0.00 ATOM 268 CB LEU 34 8.208 -10.329 1.083 1.00 0.00 ATOM 269 CG LEU 34 7.726 -11.581 1.871 1.00 0.00 ATOM 270 CD1 LEU 34 7.539 -12.788 0.990 1.00 0.00 ATOM 271 CD2 LEU 34 8.645 -11.939 3.038 1.00 0.00 ATOM 272 O LEU 34 10.066 -7.793 1.605 1.00 0.00 ATOM 273 C LEU 34 8.846 -7.892 1.455 1.00 0.00 ATOM 274 N LYS 35 8.182 -6.765 0.876 1.00 0.00 ATOM 275 CA LYS 35 8.851 -5.559 0.384 1.00 0.00 ATOM 276 CB LYS 35 7.857 -5.004 -0.639 1.00 0.00 ATOM 277 CG LYS 35 7.270 -6.053 -1.567 1.00 0.00 ATOM 278 CD LYS 35 8.345 -6.691 -2.430 1.00 0.00 ATOM 279 CE LYS 35 7.739 -7.611 -3.478 1.00 0.00 ATOM 280 NZ LYS 35 8.783 -8.361 -4.232 1.00 0.00 ATOM 281 O LYS 35 8.518 -3.745 1.892 1.00 0.00 ATOM 282 C LYS 35 9.283 -4.319 1.117 1.00 0.00 ATOM 283 N LEU 36 10.516 -3.768 0.783 1.00 0.00 ATOM 284 CA LEU 36 11.011 -2.586 1.485 1.00 0.00 ATOM 285 CB LEU 36 12.526 -2.524 1.279 1.00 0.00 ATOM 286 CG LEU 36 13.316 -3.767 1.691 1.00 0.00 ATOM 287 CD1 LEU 36 14.797 -3.585 1.396 1.00 0.00 ATOM 288 CD2 LEU 36 13.158 -4.036 3.180 1.00 0.00 ATOM 289 O LEU 36 9.754 -0.544 1.344 1.00 0.00 ATOM 290 C LEU 36 10.380 -1.414 0.737 1.00 0.00 ATOM 291 N GLU 37 10.408 -1.236 -0.619 1.00 0.00 ATOM 292 CA GLU 37 9.900 -0.140 -1.438 1.00 0.00 ATOM 293 CB GLU 37 11.033 0.600 -2.152 1.00 0.00 ATOM 294 CG GLU 37 11.728 -0.217 -3.228 1.00 0.00 ATOM 295 CD GLU 37 12.884 0.526 -3.869 1.00 0.00 ATOM 296 OE1 GLU 37 13.161 1.669 -3.449 1.00 0.00 ATOM 297 OE2 GLU 37 13.511 -0.034 -4.792 1.00 0.00 ATOM 298 O GLU 37 8.894 -0.402 -3.601 1.00 0.00 ATOM 299 C GLU 37 8.925 -0.772 -2.425 1.00 0.00 ATOM 300 N LEU 38 8.097 -1.693 -1.937 1.00 0.00 ATOM 301 CA LEU 38 7.130 -2.355 -2.803 1.00 0.00 ATOM 302 CB LEU 38 6.777 -3.702 -1.701 1.00 0.00 ATOM 303 CG LEU 38 5.554 -3.320 -0.922 1.00 0.00 ATOM 304 CD1 LEU 38 4.234 -3.777 -1.558 1.00 0.00 ATOM 305 CD2 LEU 38 5.553 -3.969 0.484 1.00 0.00 ATOM 306 O LEU 38 5.232 -1.707 -4.109 1.00 0.00 ATOM 307 C LEU 38 6.033 -1.394 -3.232 1.00 0.00 ATOM 308 N ARG 39 6.033 -0.174 -2.556 1.00 0.00 ATOM 309 CA ARG 39 5.038 0.834 -2.883 1.00 0.00 ATOM 310 CB ARG 39 4.284 1.177 -1.526 1.00 0.00 ATOM 311 CG ARG 39 3.358 2.369 -1.618 1.00 0.00 ATOM 312 CD ARG 39 2.171 2.051 -2.472 1.00 0.00 ATOM 313 NE ARG 39 1.230 3.159 -2.495 1.00 0.00 ATOM 314 CZ ARG 39 -0.055 3.044 -2.814 1.00 0.00 ATOM 315 NH1 ARG 39 -0.563 1.866 -3.142 1.00 0.00 ATOM 316 NH2 ARG 39 -0.834 4.113 -2.797 1.00 0.00 ATOM 317 O ARG 39 4.860 2.675 -4.405 1.00 0.00 ATOM 318 C ARG 39 5.588 1.824 -3.903 1.00 0.00 ATOM 319 N LEU 40 6.870 1.684 -4.226 1.00 0.00 ATOM 320 CA LEU 40 7.519 2.583 -5.179 1.00 0.00 ATOM 321 CB LEU 40 8.982 2.219 -5.308 1.00 0.00 ATOM 322 CG LEU 40 9.764 2.811 -6.477 1.00 0.00 ATOM 323 CD1 LEU 40 9.766 4.347 -6.431 1.00 0.00 ATOM 324 CD2 LEU 40 11.168 2.254 -6.412 1.00 0.00 ATOM 325 O LEU 40 6.798 1.170 -6.982 1.00 0.00 ATOM 326 C LEU 40 7.132 2.297 -6.627 1.00 0.00 ATOM 327 N GLU 41 7.230 3.318 -7.472 1.00 0.00 ATOM 328 CA GLU 41 6.884 3.152 -8.868 1.00 0.00 ATOM 329 CB GLU 41 5.365 3.158 -9.049 1.00 0.00 ATOM 330 CG GLU 41 4.665 1.937 -8.476 1.00 0.00 ATOM 331 CD GLU 41 3.156 2.069 -8.491 1.00 0.00 ATOM 332 OE1 GLU 41 2.589 2.279 -9.583 1.00 0.00 ATOM 333 OE2 GLU 41 2.539 1.961 -7.410 1.00 0.00 ATOM 334 O GLU 41 8.377 4.948 -9.370 1.00 0.00 ATOM 335 C GLU 41 7.441 4.248 -9.758 1.00 0.00 ATOM 336 N ASP 42 6.864 4.440 -10.951 1.00 0.00 ATOM 337 CA ASP 42 7.298 5.441 -11.933 1.00 0.00 ATOM 338 CB ASP 42 6.926 4.785 -13.352 1.00 0.00 ATOM 339 CG ASP 42 7.158 3.288 -13.395 1.00 0.00 ATOM 340 OD1 ASP 42 6.471 2.558 -12.649 1.00 0.00 ATOM 341 OD2 ASP 42 8.024 2.843 -14.177 1.00 0.00 ATOM 342 O ASP 42 7.352 7.696 -11.097 1.00 0.00 ATOM 343 C ASP 42 7.441 6.965 -12.085 1.00 0.00 ATOM 344 N GLY 43 7.796 7.766 -13.375 1.00 0.00 ATOM 345 CA GLY 43 8.000 9.202 -13.592 1.00 0.00 ATOM 346 O GLY 43 9.228 9.024 -11.544 1.00 0.00 ATOM 347 C GLY 43 9.278 9.193 -12.762 1.00 0.00 ATOM 348 N THR 44 10.413 9.369 -13.430 1.00 0.00 ATOM 349 CA THR 44 11.717 9.363 -12.778 1.00 0.00 ATOM 350 CB THR 44 12.803 9.978 -13.681 1.00 0.00 ATOM 351 CG2 THR 44 14.151 9.965 -12.978 1.00 0.00 ATOM 352 OG1 THR 44 12.904 9.221 -14.893 1.00 0.00 ATOM 353 O THR 44 12.476 9.954 -10.580 1.00 0.00 ATOM 354 C THR 44 11.626 10.127 -11.458 1.00 0.00 ATOM 355 N LEU 45 10.525 10.974 -11.297 1.00 0.00 ATOM 356 CA LEU 45 10.424 11.723 -10.053 1.00 0.00 ATOM 357 CB LEU 45 8.864 12.227 -10.043 1.00 0.00 ATOM 358 CG LEU 45 8.177 12.486 -11.366 1.00 0.00 ATOM 359 CD1 LEU 45 6.859 13.181 -11.136 1.00 0.00 ATOM 360 CD2 LEU 45 9.072 13.319 -12.278 1.00 0.00 ATOM 361 O LEU 45 11.004 10.756 -7.933 1.00 0.00 ATOM 362 C LEU 45 10.213 10.775 -8.878 1.00 0.00 ATOM 363 N ILE 46 9.127 10.005 -8.936 1.00 0.00 ATOM 364 CA ILE 46 8.792 9.046 -7.888 1.00 0.00 ATOM 365 CB ILE 46 7.341 8.550 -7.968 1.00 0.00 ATOM 366 CG1 ILE 46 6.359 9.702 -7.824 1.00 0.00 ATOM 367 CG2 ILE 46 7.085 7.538 -6.846 1.00 0.00 ATOM 368 CD1 ILE 46 4.933 9.298 -8.079 1.00 0.00 ATOM 369 O ILE 46 9.945 7.147 -6.986 1.00 0.00 ATOM 370 C ILE 46 9.672 7.809 -7.989 1.00 0.00 ATOM 371 N ASN 47 10.105 7.505 -9.209 1.00 0.00 ATOM 372 CA ASN 47 10.990 6.377 -9.476 1.00 0.00 ATOM 373 CB ASN 47 11.506 6.428 -10.916 1.00 0.00 ATOM 374 CG ASN 47 12.249 5.169 -11.314 1.00 0.00 ATOM 375 ND2 ASN 47 13.532 5.314 -11.629 1.00 0.00 ATOM 376 OD1 ASN 47 11.677 4.079 -11.336 1.00 0.00 ATOM 377 O ASN 47 12.746 5.620 -8.004 1.00 0.00 ATOM 378 C ASN 47 12.104 6.571 -8.458 1.00 0.00 ATOM 379 N ALA 48 12.281 7.960 -8.123 1.00 0.00 ATOM 380 CA ALA 48 13.343 8.232 -7.170 1.00 0.00 ATOM 381 CB ALA 48 14.102 9.489 -7.569 1.00 0.00 ATOM 382 O ALA 48 13.405 8.076 -4.775 1.00 0.00 ATOM 383 C ALA 48 12.761 8.428 -5.770 1.00 0.00 ATOM 384 N ILE 49 11.603 9.020 -5.733 1.00 0.00 ATOM 385 CA ILE 49 10.957 9.310 -4.449 1.00 0.00 ATOM 386 CB ILE 49 9.515 9.819 -4.631 1.00 0.00 ATOM 387 CG1 ILE 49 9.514 11.173 -5.345 1.00 0.00 ATOM 388 CG2 ILE 49 8.834 9.985 -3.282 1.00 0.00 ATOM 389 CD1 ILE 49 10.189 12.277 -4.560 1.00 0.00 ATOM 390 O ILE 49 10.904 8.037 -2.409 1.00 0.00 ATOM 391 C ILE 49 10.776 8.027 -3.633 1.00 0.00 ATOM 392 N GLY 50 10.542 6.896 -4.314 1.00 0.00 ATOM 393 CA GLY 50 10.401 5.620 -3.635 1.00 0.00 ATOM 394 O GLY 50 11.371 5.170 -1.498 1.00 0.00 ATOM 395 C GLY 50 11.562 5.313 -2.700 1.00 0.00 ATOM 396 N HIS 51 12.761 5.184 -3.265 1.00 0.00 ATOM 397 CA HIS 51 13.955 4.858 -2.491 1.00 0.00 ATOM 398 CB HIS 51 15.212 5.024 -3.347 1.00 0.00 ATOM 399 CG HIS 51 15.390 3.950 -4.374 1.00 0.00 ATOM 400 CD2 HIS 51 15.418 3.898 -5.829 1.00 0.00 ATOM 401 ND1 HIS 51 15.588 2.627 -4.041 1.00 0.00 ATOM 402 CE1 HIS 51 15.714 1.906 -5.170 1.00 0.00 ATOM 403 NE2 HIS 51 15.612 2.662 -6.245 1.00 0.00 ATOM 404 O HIS 51 14.630 5.246 -0.225 1.00 0.00 ATOM 405 C HIS 51 14.156 5.729 -1.253 1.00 0.00 ATOM 406 N ASP 52 13.814 7.006 -1.331 1.00 0.00 ATOM 407 CA ASP 52 13.939 7.893 -0.177 1.00 0.00 ATOM 408 CB ASP 52 13.802 9.355 -0.608 1.00 0.00 ATOM 409 CG ASP 52 15.020 9.857 -1.358 1.00 0.00 ATOM 410 OD1 ASP 52 16.061 9.167 -1.332 1.00 0.00 ATOM 411 OD2 ASP 52 14.935 10.941 -1.972 1.00 0.00 ATOM 412 O ASP 52 13.015 7.582 2.019 1.00 0.00 ATOM 413 C ASP 52 12.810 7.596 0.794 1.00 0.00 ATOM 414 N SER 53 11.642 7.322 0.372 1.00 0.00 ATOM 415 CA SER 53 10.542 6.888 1.248 1.00 0.00 ATOM 416 CB SER 53 9.288 6.690 0.394 1.00 0.00 ATOM 417 OG SER 53 8.855 7.915 -0.170 1.00 0.00 ATOM 418 O SER 53 10.764 5.453 3.184 1.00 0.00 ATOM 419 C SER 53 10.969 5.607 1.976 1.00 0.00 ATOM 420 N THR 54 11.621 4.734 1.252 1.00 0.00 ATOM 421 CA THR 54 12.097 3.491 1.817 1.00 0.00 ATOM 422 CB THR 54 12.601 2.529 0.715 1.00 0.00 ATOM 423 CG2 THR 54 12.955 1.134 1.307 1.00 0.00 ATOM 424 OG1 THR 54 11.562 2.374 -0.274 1.00 0.00 ATOM 425 O THR 54 13.216 3.012 3.878 1.00 0.00 ATOM 426 C THR 54 13.228 3.661 2.835 1.00 0.00 ATOM 427 N ILE 55 14.199 4.541 2.489 1.00 0.00 ATOM 428 CA ILE 55 15.225 4.868 3.461 1.00 0.00 ATOM 429 CB ILE 55 16.150 5.961 2.893 1.00 0.00 ATOM 430 CG1 ILE 55 16.916 5.433 1.677 1.00 0.00 ATOM 431 CG2 ILE 55 17.159 6.404 3.943 1.00 0.00 ATOM 432 CD1 ILE 55 17.636 6.509 0.896 1.00 0.00 ATOM 433 O ILE 55 15.068 4.974 5.886 1.00 0.00 ATOM 434 C ILE 55 14.613 5.336 4.793 1.00 0.00 ATOM 435 N ASN 56 13.593 6.118 4.666 1.00 0.00 ATOM 436 CA ASN 56 12.909 6.643 5.833 1.00 0.00 ATOM 437 CB ASN 56 11.972 7.730 5.304 1.00 0.00 ATOM 438 CG ASN 56 12.720 8.901 4.701 1.00 0.00 ATOM 439 ND2 ASN 56 12.030 9.683 3.878 1.00 0.00 ATOM 440 OD1 ASN 56 13.905 9.101 4.971 1.00 0.00 ATOM 441 O ASN 56 12.294 5.534 7.867 1.00 0.00 ATOM 442 C ASN 56 12.172 5.587 6.644 1.00 0.00 ATOM 443 N LEU 57 11.474 4.719 5.946 1.00 0.00 ATOM 444 CA LEU 57 10.741 3.655 6.616 1.00 0.00 ATOM 445 CB LEU 57 9.904 2.892 5.587 1.00 0.00 ATOM 446 CG LEU 57 8.738 3.658 4.959 1.00 0.00 ATOM 447 CD1 LEU 57 8.109 2.851 3.834 1.00 0.00 ATOM 448 CD2 LEU 57 7.664 3.949 5.996 1.00 0.00 ATOM 449 O LEU 57 11.416 2.177 8.377 1.00 0.00 ATOM 450 C LEU 57 11.696 2.687 7.294 1.00 0.00 ATOM 451 N VAL 58 12.828 2.440 6.651 1.00 0.00 ATOM 452 CA VAL 58 13.822 1.531 7.197 1.00 0.00 ATOM 453 CB VAL 58 14.973 1.290 6.203 1.00 0.00 ATOM 454 CG1 VAL 58 16.088 0.490 6.863 1.00 0.00 ATOM 455 CG2 VAL 58 14.478 0.515 4.993 1.00 0.00 ATOM 456 O VAL 58 14.547 1.496 9.470 1.00 0.00 ATOM 457 C VAL 58 14.355 2.157 8.438 1.00 0.00 ATOM 458 N ASN 59 14.730 3.446 8.386 1.00 0.00 ATOM 459 CA ASN 59 15.314 4.068 9.594 1.00 0.00 ATOM 460 CB ASN 59 15.632 5.543 9.337 1.00 0.00 ATOM 461 CG ASN 59 16.837 5.730 8.436 1.00 0.00 ATOM 462 ND2 ASN 59 16.946 6.909 7.835 1.00 0.00 ATOM 463 OD1 ASN 59 17.658 4.826 8.286 1.00 0.00 ATOM 464 O ASN 59 14.702 3.755 11.907 1.00 0.00 ATOM 465 C ASN 59 14.328 4.004 10.769 1.00 0.00 ATOM 466 N THR 60 13.006 4.238 10.493 1.00 0.00 ATOM 467 CA THR 60 11.976 4.177 11.523 1.00 0.00 ATOM 468 CB THR 60 10.551 3.936 10.638 1.00 0.00 ATOM 469 CG2 THR 60 9.305 4.424 11.285 1.00 0.00 ATOM 470 OG1 THR 60 10.613 4.497 9.318 1.00 0.00 ATOM 471 O THR 60 11.874 2.663 13.383 1.00 0.00 ATOM 472 C THR 60 11.939 2.792 12.161 1.00 0.00 ATOM 473 N LEU 61 11.998 1.793 11.284 1.00 0.00 ATOM 474 CA LEU 61 11.961 0.368 11.831 1.00 0.00 ATOM 475 CB LEU 61 11.282 -0.500 10.698 1.00 0.00 ATOM 476 CG LEU 61 11.178 -2.005 10.946 1.00 0.00 ATOM 477 CD1 LEU 61 10.162 -2.269 12.046 1.00 0.00 ATOM 478 CD2 LEU 61 10.769 -2.718 9.659 1.00 0.00 ATOM 479 O LEU 61 13.303 -0.957 13.224 1.00 0.00 ATOM 480 C LEU 61 13.285 0.081 12.495 1.00 0.00 ATOM 481 N CYS 62 14.257 0.935 12.377 1.00 0.00 ATOM 482 CA CYS 62 15.540 0.769 13.160 1.00 0.00 ATOM 483 CB CYS 62 16.751 1.057 12.270 1.00 0.00 ATOM 484 SG CYS 62 16.931 -0.067 10.866 1.00 0.00 ATOM 485 O CYS 62 16.650 1.801 14.956 1.00 0.00 ATOM 486 C CYS 62 15.538 1.739 14.330 1.00 0.00 ATOM 487 N GLY 63 14.481 2.346 14.768 1.00 0.00 ATOM 488 CA GLY 63 14.413 3.186 15.933 1.00 0.00 ATOM 489 O GLY 63 14.856 5.397 16.699 1.00 0.00 ATOM 490 C GLY 63 14.933 4.603 15.757 1.00 0.00 ATOM 491 N THR 64 15.460 4.937 14.593 1.00 0.00 ATOM 492 CA THR 64 16.044 6.228 14.287 1.00 0.00 ATOM 493 CB THR 64 17.367 6.015 13.513 1.00 0.00 ATOM 494 CG2 THR 64 18.054 7.323 13.180 1.00 0.00 ATOM 495 OG1 THR 64 18.249 5.209 14.311 1.00 0.00 ATOM 496 O THR 64 14.598 6.641 12.431 1.00 0.00 ATOM 497 C THR 64 15.122 7.099 13.445 1.00 0.00 ATOM 498 N GLN 65 14.966 8.359 13.846 1.00 0.00 ATOM 499 CA GLN 65 14.129 9.282 13.079 1.00 0.00 ATOM 500 CB GLN 65 14.689 9.702 11.822 1.00 0.00 ATOM 501 CG GLN 65 14.518 11.202 11.670 1.00 0.00 ATOM 502 CD GLN 65 15.654 11.739 12.466 1.00 0.00 ATOM 503 OE1 GLN 65 15.658 11.516 13.688 1.00 0.00 ATOM 504 NE2 GLN 65 16.752 11.980 11.746 1.00 0.00 ATOM 505 O GLN 65 12.114 8.205 12.390 1.00 0.00 ATOM 506 C GLN 65 12.613 9.115 13.060 1.00 0.00 ATOM 507 N LEU 66 11.900 10.021 13.880 1.00 0.00 ATOM 508 CA LEU 66 10.425 10.077 13.853 1.00 0.00 ATOM 509 CB LEU 66 9.578 9.888 14.736 1.00 0.00 ATOM 510 CG LEU 66 8.269 10.669 14.596 1.00 0.00 ATOM 511 CD1 LEU 66 7.614 10.332 13.275 1.00 0.00 ATOM 512 CD2 LEU 66 7.341 10.317 15.758 1.00 0.00 ATOM 513 O LEU 66 10.856 12.330 13.151 1.00 0.00 ATOM 514 C LEU 66 10.353 11.240 12.867 1.00 0.00 ATOM 515 N GLN 67 9.791 10.996 11.686 1.00 0.00 ATOM 516 CA GLN 67 9.738 12.039 10.670 1.00 0.00 ATOM 517 CB GLN 67 11.164 12.182 10.037 1.00 0.00 ATOM 518 CG GLN 67 11.436 11.073 9.008 1.00 0.00 ATOM 519 CD GLN 67 12.852 11.068 8.456 1.00 0.00 ATOM 520 OE1 GLN 67 13.625 11.999 8.680 1.00 0.00 ATOM 521 NE2 GLN 67 13.192 10.009 7.731 1.00 0.00 ATOM 522 O GLN 67 8.110 10.874 9.341 1.00 0.00 ATOM 523 C GLN 67 8.566 11.959 9.696 1.00 0.00 ATOM 524 N LYS 68 7.974 13.170 9.269 1.00 0.00 ATOM 525 CA LYS 68 6.884 13.283 8.303 1.00 0.00 ATOM 526 CB LYS 68 5.828 14.272 8.801 1.00 0.00 ATOM 527 CG LYS 68 5.123 13.838 10.076 1.00 0.00 ATOM 528 CD LYS 68 4.099 14.870 10.519 1.00 0.00 ATOM 529 CE LYS 68 3.380 14.427 11.783 1.00 0.00 ATOM 530 NZ LYS 68 2.314 15.387 12.180 1.00 0.00 ATOM 531 O LYS 68 8.135 14.809 6.947 1.00 0.00 ATOM 532 C LYS 68 7.467 13.777 6.984 1.00 0.00 ATOM 533 N ASN 69 7.231 13.029 5.907 1.00 0.00 ATOM 534 CA ASN 69 7.753 13.396 4.594 1.00 0.00 ATOM 535 CB ASN 69 8.831 12.404 4.150 1.00 0.00 ATOM 536 CG ASN 69 10.012 12.364 5.100 1.00 0.00 ATOM 537 ND2 ASN 69 10.125 11.278 5.855 1.00 0.00 ATOM 538 OD1 ASN 69 10.811 13.299 5.151 1.00 0.00 ATOM 539 O ASN 69 5.916 12.450 3.371 1.00 0.00 ATOM 540 C ASN 69 6.694 13.402 3.500 1.00 0.00 ATOM 541 N ARG 70 6.653 14.527 2.729 1.00 0.00 ATOM 542 CA ARG 70 5.691 14.637 1.644 1.00 0.00 ATOM 543 CB ARG 70 5.294 16.100 1.437 1.00 0.00 ATOM 544 CG ARG 70 4.088 16.294 0.534 1.00 0.00 ATOM 545 CD ARG 70 3.713 17.763 0.423 1.00 0.00 ATOM 546 NE ARG 70 4.700 18.526 -0.337 1.00 0.00 ATOM 547 CZ ARG 70 4.713 19.852 -0.427 1.00 0.00 ATOM 548 NH1 ARG 70 5.650 20.458 -1.142 1.00 0.00 ATOM 549 NH2 ARG 70 3.787 20.567 0.199 1.00 0.00 ATOM 550 O ARG 70 7.346 14.698 -0.080 1.00 0.00 ATOM 551 C ARG 70 6.369 14.117 0.391 1.00 0.00 ATOM 552 N VAL 71 5.845 13.005 -0.122 1.00 0.00 ATOM 553 CA VAL 71 6.387 12.377 -1.323 1.00 0.00 ATOM 554 CB VAL 71 7.095 11.054 -0.976 1.00 0.00 ATOM 555 CG1 VAL 71 8.266 11.305 -0.039 1.00 0.00 ATOM 556 CG2 VAL 71 6.130 10.097 -0.293 1.00 0.00 ATOM 557 O VAL 71 4.199 11.675 -2.034 1.00 0.00 ATOM 558 C VAL 71 5.321 12.056 -2.369 1.00 0.00 ATOM 559 N GLU 72 5.693 12.183 -3.639 1.00 0.00 ATOM 560 CA GLU 72 4.786 11.908 -4.745 1.00 0.00 ATOM 561 CB GLU 72 5.184 12.714 -5.994 1.00 0.00 ATOM 562 CG GLU 72 5.010 14.220 -5.818 1.00 0.00 ATOM 563 CD GLU 72 5.217 15.026 -7.094 1.00 0.00 ATOM 564 OE1 GLU 72 6.262 14.857 -7.757 1.00 0.00 ATOM 565 OE2 GLU 72 4.339 15.863 -7.424 1.00 0.00 ATOM 566 O GLU 72 5.779 9.745 -4.991 1.00 0.00 ATOM 567 C GLU 72 4.735 10.394 -4.885 1.00 0.00 ATOM 568 N VAL 73 3.549 9.823 -4.838 1.00 0.00 ATOM 569 CA VAL 73 3.401 8.383 -4.961 1.00 0.00 ATOM 570 CB VAL 73 2.755 7.720 -3.730 1.00 0.00 ATOM 571 CG1 VAL 73 2.405 6.270 -4.028 1.00 0.00 ATOM 572 CG2 VAL 73 3.711 7.749 -2.547 1.00 0.00 ATOM 573 O VAL 73 1.674 8.889 -6.563 1.00 0.00 ATOM 574 C VAL 73 2.506 8.071 -6.162 1.00 0.00 ATOM 575 N LYS 74 2.687 6.881 -6.728 1.00 0.00 ATOM 576 CA LYS 74 1.905 6.442 -7.879 1.00 0.00 ATOM 577 CB LYS 74 2.873 6.240 -9.047 1.00 0.00 ATOM 578 CG LYS 74 2.319 5.624 -10.329 1.00 0.00 ATOM 579 CD LYS 74 3.449 5.575 -11.361 1.00 0.00 ATOM 580 CE LYS 74 3.018 5.040 -12.714 1.00 0.00 ATOM 581 NZ LYS 74 2.880 3.566 -12.696 1.00 0.00 ATOM 582 O LYS 74 1.839 4.193 -7.030 1.00 0.00 ATOM 583 C LYS 74 1.206 5.133 -7.524 1.00 0.00 ATOM 584 N MET 75 -0.084 5.078 -7.803 1.00 0.00 ATOM 585 CA MET 75 -0.895 3.883 -7.574 1.00 0.00 ATOM 586 CB MET 75 -2.389 4.212 -7.564 1.00 0.00 ATOM 587 CG MET 75 -2.898 4.744 -6.235 1.00 0.00 ATOM 588 SD MET 75 -2.174 6.337 -5.800 1.00 0.00 ATOM 589 CE MET 75 -2.954 7.404 -7.010 1.00 0.00 ATOM 590 O MET 75 0.167 3.090 -9.575 1.00 0.00 ATOM 591 C MET 75 -0.634 2.855 -8.670 1.00 0.00 ATOM 592 N ASN 76 -1.275 1.698 -8.560 1.00 0.00 ATOM 593 CA ASN 76 -1.101 0.642 -9.550 1.00 0.00 ATOM 594 CB ASN 76 -1.785 -0.647 -9.085 1.00 0.00 ATOM 595 CG ASN 76 -1.467 -1.830 -9.978 1.00 0.00 ATOM 596 ND2 ASN 76 -2.492 -2.378 -10.620 1.00 0.00 ATOM 597 OD1 ASN 76 -0.313 -2.244 -10.089 1.00 0.00 ATOM 598 O ASN 76 -1.222 0.621 -11.952 1.00 0.00 ATOM 599 C ASN 76 -1.708 1.037 -10.895 1.00 0.00 ATOM 600 N GLU 77 -2.717 1.902 -10.847 1.00 0.00 ATOM 601 CA GLU 77 -3.390 2.371 -12.052 1.00 0.00 ATOM 602 CB GLU 77 -4.786 2.900 -11.715 1.00 0.00 ATOM 603 CG GLU 77 -5.744 1.839 -11.198 1.00 0.00 ATOM 604 CD GLU 77 -7.092 2.412 -10.807 1.00 0.00 ATOM 605 OE1 GLU 77 -7.272 3.642 -10.928 1.00 0.00 ATOM 606 OE2 GLU 77 -7.969 1.632 -10.381 1.00 0.00 ATOM 607 O GLU 77 -3.248 4.082 -13.719 1.00 0.00 ATOM 608 C GLU 77 -2.677 3.508 -12.781 1.00 0.00 ATOM 609 N GLY 78 -1.188 3.937 -12.420 1.00 0.00 ATOM 610 CA GLY 78 -0.454 5.057 -12.993 1.00 0.00 ATOM 611 O GLY 78 -0.019 7.331 -12.382 1.00 0.00 ATOM 612 C GLY 78 -0.807 6.384 -12.344 1.00 0.00 ATOM 613 N ASP 79 -1.993 6.453 -11.745 1.00 0.00 ATOM 614 CA ASP 79 -2.455 7.664 -11.082 1.00 0.00 ATOM 615 CB ASP 79 -3.753 7.395 -10.318 1.00 0.00 ATOM 616 CG ASP 79 -4.939 7.190 -11.238 1.00 0.00 ATOM 617 OD1 ASP 79 -4.800 7.447 -12.453 1.00 0.00 ATOM 618 OD2 ASP 79 -6.007 6.771 -10.746 1.00 0.00 ATOM 619 O ASP 79 -0.728 7.391 -9.436 1.00 0.00 ATOM 620 C ASP 79 -1.416 8.174 -10.089 1.00 0.00 ATOM 621 N GLU 80 -1.314 9.493 -9.976 1.00 0.00 ATOM 622 CA GLU 80 -0.357 10.115 -9.067 1.00 0.00 ATOM 623 CB GLU 80 0.501 11.139 -9.812 1.00 0.00 ATOM 624 CG GLU 80 1.414 10.535 -10.866 1.00 0.00 ATOM 625 CD GLU 80 2.302 11.568 -11.530 1.00 0.00 ATOM 626 OE1 GLU 80 2.163 12.767 -11.206 1.00 0.00 ATOM 627 OE2 GLU 80 3.138 11.181 -12.373 1.00 0.00 ATOM 628 O GLU 80 -2.054 11.547 -8.198 1.00 0.00 ATOM 629 C GLU 80 -1.052 10.850 -7.954 1.00 0.00 ATOM 630 N ALA 81 -0.469 10.662 -6.858 1.00 0.00 ATOM 631 CA ALA 81 -0.958 11.424 -5.693 1.00 0.00 ATOM 632 CB ALA 81 -1.962 10.546 -4.964 1.00 0.00 ATOM 633 O ALA 81 1.123 11.061 -4.552 1.00 0.00 ATOM 634 C ALA 81 0.142 11.789 -4.708 1.00 0.00 ATOM 635 N LEU 82 -0.029 12.937 -4.060 1.00 0.00 ATOM 636 CA LEU 82 0.924 13.432 -3.071 1.00 0.00 ATOM 637 CB LEU 82 0.757 14.940 -2.873 1.00 0.00 ATOM 638 CG LEU 82 1.709 15.600 -1.873 1.00 0.00 ATOM 639 CD1 LEU 82 3.149 15.486 -2.346 1.00 0.00 ATOM 640 CD2 LEU 82 1.376 17.076 -1.712 1.00 0.00 ATOM 641 O LEU 82 -0.531 13.020 -1.200 1.00 0.00 ATOM 642 C LEU 82 0.567 12.802 -1.729 1.00 0.00 ATOM 643 N ILE 83 1.567 12.171 -1.208 1.00 0.00 ATOM 644 CA ILE 83 1.457 11.364 -0.000 1.00 0.00 ATOM 645 CB ILE 83 2.098 9.991 -0.267 1.00 0.00 ATOM 646 CG1 ILE 83 1.384 9.284 -1.420 1.00 0.00 ATOM 647 CG2 ILE 83 2.005 9.110 0.970 1.00 0.00 ATOM 648 CD1 ILE 83 -0.085 9.023 -1.161 1.00 0.00 ATOM 649 O ILE 83 3.195 12.717 0.941 1.00 0.00 ATOM 650 C ILE 83 2.228 11.979 1.148 1.00 0.00 ATOM 651 N ILE 84 1.948 11.491 2.298 1.00 0.00 ATOM 652 CA ILE 84 2.650 11.967 3.481 1.00 0.00 ATOM 653 CB ILE 84 1.779 12.872 4.372 1.00 0.00 ATOM 654 CG1 ILE 84 1.347 14.121 3.602 1.00 0.00 ATOM 655 CG2 ILE 84 2.554 13.310 5.606 1.00 0.00 ATOM 656 CD1 ILE 84 0.315 14.958 4.326 1.00 0.00 ATOM 657 O ILE 84 2.191 10.045 4.840 1.00 0.00 ATOM 658 C ILE 84 3.045 10.713 4.257 1.00 0.00 ATOM 659 N MET 85 4.334 10.389 4.246 1.00 0.00 ATOM 660 CA MET 85 4.824 9.212 4.949 1.00 0.00 ATOM 661 CB MET 85 6.081 8.666 4.269 1.00 0.00 ATOM 662 CG MET 85 5.864 8.209 2.836 1.00 0.00 ATOM 663 SD MET 85 4.677 6.857 2.710 1.00 0.00 ATOM 664 CE MET 85 5.600 5.524 3.470 1.00 0.00 ATOM 665 O MET 85 5.953 10.473 6.612 1.00 0.00 ATOM 666 C MET 85 5.218 9.536 6.375 1.00 0.00 ATOM 667 N ILE 86 4.691 8.751 7.285 1.00 0.00 ATOM 668 CA ILE 86 5.027 8.912 8.690 1.00 0.00 ATOM 669 CB ILE 86 3.729 8.973 9.515 1.00 0.00 ATOM 670 CG1 ILE 86 2.846 10.126 9.036 1.00 0.00 ATOM 671 CG2 ILE 86 4.043 9.187 10.988 1.00 0.00 ATOM 672 CD1 ILE 86 1.460 10.130 9.646 1.00 0.00 ATOM 673 O ILE 86 5.602 6.638 9.176 1.00 0.00 ATOM 674 C ILE 86 5.973 7.817 9.142 1.00 0.00 ATOM 675 N SER 87 7.217 8.163 9.497 1.00 0.00 ATOM 676 CA SER 87 8.144 7.207 10.085 1.00 0.00 ATOM 677 CB SER 87 9.539 7.753 9.770 1.00 0.00 ATOM 678 OG SER 87 10.547 6.947 10.357 1.00 0.00 ATOM 679 O SER 87 8.594 7.969 12.337 1.00 0.00 ATOM 680 C SER 87 8.067 7.115 11.612 1.00 0.00 ATOM 681 N GLN 88 7.404 6.067 12.088 1.00 0.00 ATOM 682 CA GLN 88 7.247 5.808 13.515 1.00 0.00 ATOM 683 CB GLN 88 8.219 5.075 14.167 1.00 0.00 ATOM 684 CG GLN 88 7.954 3.619 13.849 1.00 0.00 ATOM 685 CD GLN 88 8.695 2.693 14.779 1.00 0.00 ATOM 686 OE1 GLN 88 8.585 2.816 16.003 1.00 0.00 ATOM 687 NE2 GLN 88 9.462 1.758 14.217 1.00 0.00 ATOM 688 O GLN 88 7.260 7.744 14.945 1.00 0.00 ATOM 689 C GLN 88 6.584 6.863 14.397 1.00 0.00 ATOM 690 N ARG 89 5.145 6.828 14.445 1.00 0.00 ATOM 691 CA ARG 89 4.429 7.648 15.391 1.00 0.00 ATOM 692 CB ARG 89 3.124 6.544 15.734 1.00 0.00 ATOM 693 CG ARG 89 2.807 5.470 14.706 1.00 0.00 ATOM 694 CD ARG 89 1.463 4.819 15.022 1.00 0.00 ATOM 695 NE ARG 89 1.350 4.435 16.432 1.00 0.00 ATOM 696 CZ ARG 89 0.228 4.006 17.013 1.00 0.00 ATOM 697 NH1 ARG 89 -0.891 3.903 16.306 1.00 0.00 ATOM 698 NH2 ARG 89 0.222 3.673 18.304 1.00 0.00 ATOM 699 O ARG 89 5.174 8.699 17.414 1.00 0.00 ATOM 700 C ARG 89 4.967 7.644 16.817 1.00 0.00 ATOM 701 N LEU 90 5.199 6.445 17.373 1.00 0.00 ATOM 702 CA LEU 90 5.709 6.316 18.729 1.00 0.00 ATOM 703 CB LEU 90 5.755 4.833 19.103 1.00 0.00 ATOM 704 CG LEU 90 4.431 4.073 19.021 1.00 0.00 ATOM 705 CD1 LEU 90 4.639 2.595 19.317 1.00 0.00 ATOM 706 CD2 LEU 90 3.431 4.623 20.028 1.00 0.00 ATOM 707 O LEU 90 7.450 7.544 19.871 1.00 0.00 ATOM 708 C LEU 90 7.097 6.954 18.844 1.00 0.00 ATOM 709 N GLU 91 7.846 6.794 17.789 1.00 0.00 ATOM 710 CA GLU 91 9.194 7.348 17.774 1.00 0.00 ATOM 711 CB GLU 91 10.041 6.456 16.784 1.00 0.00 ATOM 712 CG GLU 91 11.525 6.803 16.729 1.00 0.00 ATOM 713 CD GLU 91 12.191 6.850 18.101 1.00 0.00 ATOM 714 OE1 GLU 91 11.847 6.029 18.978 1.00 0.00 ATOM 715 OE2 GLU 91 13.080 7.703 18.297 1.00 0.00 ATOM 716 O GLU 91 10.210 9.484 18.135 1.00 0.00 ATOM 717 C GLU 91 9.203 8.871 17.806 1.00 0.00 ATOM 718 N GLU 92 8.091 9.498 17.439 1.00 0.00 ATOM 719 CA GLU 92 8.025 10.955 17.489 1.00 0.00 ATOM 720 CB GLU 92 7.111 11.458 16.152 1.00 0.00 ATOM 721 CG GLU 92 7.408 12.817 15.514 1.00 0.00 ATOM 722 CD GLU 92 6.375 13.265 14.491 1.00 0.00 ATOM 723 OE1 GLU 92 6.489 14.412 14.007 1.00 0.00 ATOM 724 OE2 GLU 92 5.458 12.483 14.167 1.00 0.00 ATOM 725 O GLU 92 7.225 12.637 19.004 1.00 0.00 ATOM 726 C GLU 92 7.376 11.434 18.779 1.00 0.00 ATOM 727 N GLY 93 7.007 10.509 19.646 1.00 0.00 ATOM 728 CA GLY 93 6.382 10.846 20.910 1.00 0.00 ATOM 729 O GLY 93 4.287 11.753 21.747 1.00 0.00 ATOM 730 C GLY 93 4.915 11.264 20.776 1.00 0.00 ATOM 731 N LYS 94 4.344 11.045 19.599 1.00 0.00 ATOM 732 CA LYS 94 2.965 11.441 19.367 1.00 0.00 ATOM 733 CB LYS 94 2.656 11.451 17.869 1.00 0.00 ATOM 734 CG LYS 94 1.273 11.980 17.523 1.00 0.00 ATOM 735 CD LYS 94 1.053 12.010 16.020 1.00 0.00 ATOM 736 CE LYS 94 -0.325 12.552 15.673 1.00 0.00 ATOM 737 NZ LYS 94 -0.573 12.543 14.206 1.00 0.00 ATOM 738 O LYS 94 0.892 11.161 20.530 1.00 0.00 ATOM 739 C LYS 94 1.966 10.639 20.203 1.00 0.00 ATOM 740 N VAL 95 2.485 9.347 20.225 1.00 0.00 ATOM 741 CA VAL 95 1.593 8.467 21.008 1.00 0.00 ATOM 742 CB VAL 95 0.985 7.334 20.160 1.00 0.00 ATOM 743 CG1 VAL 95 0.140 6.413 21.027 1.00 0.00 ATOM 744 CG2 VAL 95 0.100 7.906 19.062 1.00 0.00 ATOM 745 O VAL 95 3.763 7.859 21.839 1.00 0.00 ATOM 746 C VAL 95 2.549 7.944 22.086 1.00 0.00 ATOM 747 N LEU 96 2.051 7.583 23.262 1.00 0.00 ATOM 748 CA LEU 96 2.883 7.119 24.343 1.00 0.00 ATOM 749 CB LEU 96 2.469 7.781 25.659 1.00 0.00 ATOM 750 CG LEU 96 3.247 7.354 26.905 1.00 0.00 ATOM 751 CD1 LEU 96 4.717 7.720 26.773 1.00 0.00 ATOM 752 CD2 LEU 96 2.695 8.042 28.146 1.00 0.00 ATOM 753 O LEU 96 1.659 5.100 24.666 1.00 0.00 ATOM 754 C LEU 96 2.779 5.622 24.408 1.00 0.00 ATOM 755 N SER 97 3.827 4.919 24.220 1.00 0.00 ATOM 756 CA SER 97 3.825 3.468 24.150 1.00 0.00 ATOM 757 CB SER 97 4.410 2.941 22.838 1.00 0.00 ATOM 758 OG SER 97 5.750 3.370 22.669 1.00 0.00 ATOM 759 O SER 97 5.695 3.423 25.638 1.00 0.00 ATOM 760 C SER 97 4.648 2.863 25.235 1.00 0.00 ATOM 761 N ASP 98 4.194 1.710 25.693 1.00 0.00 ATOM 762 CA ASP 98 4.913 0.953 26.707 1.00 0.00 ATOM 763 CB ASP 98 4.153 -0.328 27.057 1.00 0.00 ATOM 764 CG ASP 98 2.908 -0.061 27.879 1.00 0.00 ATOM 765 OD1 ASP 98 2.756 1.076 28.375 1.00 0.00 ATOM 766 OD2 ASP 98 2.084 -0.988 28.029 1.00 0.00 ATOM 767 O ASP 98 7.230 0.531 27.126 1.00 0.00 ATOM 768 C ASP 98 6.320 0.556 26.294 1.00 0.00 ATOM 769 N LYS 99 6.495 0.212 25.015 1.00 0.00 ATOM 770 CA LYS 99 7.805 -0.203 24.525 1.00 0.00 ATOM 771 CB LYS 99 7.599 -0.942 23.153 1.00 0.00 ATOM 772 CG LYS 99 6.723 -2.199 23.216 1.00 0.00 ATOM 773 CD LYS 99 5.334 -1.908 23.801 1.00 0.00 ATOM 774 CE LYS 99 4.219 -2.397 22.932 1.00 0.00 ATOM 775 NZ LYS 99 2.879 -1.983 23.450 1.00 0.00 ATOM 776 O LYS 99 10.003 0.756 24.596 1.00 0.00 ATOM 777 C LYS 99 8.788 0.961 24.476 1.00 0.00 ATOM 778 N GLU 100 8.335 2.217 24.339 1.00 0.00 ATOM 779 CA GLU 100 9.228 3.366 24.334 1.00 0.00 ATOM 780 CB GLU 100 8.397 4.602 23.984 1.00 0.00 ATOM 781 CG GLU 100 9.177 5.906 24.024 1.00 0.00 ATOM 782 CD GLU 100 8.330 7.103 23.639 1.00 0.00 ATOM 783 OE1 GLU 100 7.132 6.913 23.344 1.00 0.00 ATOM 784 OE2 GLU 100 8.865 8.232 23.634 1.00 0.00 ATOM 785 O GLU 100 10.871 3.751 26.051 1.00 0.00 ATOM 786 C GLU 100 9.699 3.474 25.783 1.00 0.00 ATOM 787 N ILE 101 8.783 3.205 26.745 1.00 0.00 ATOM 788 CA ILE 101 9.136 3.266 28.159 1.00 0.00 ATOM 789 CB ILE 101 7.882 3.128 29.043 1.00 0.00 ATOM 790 CG1 ILE 101 7.001 4.373 28.916 1.00 0.00 ATOM 791 CG2 ILE 101 8.275 2.961 30.502 1.00 0.00 ATOM 792 CD1 ILE 101 5.629 4.214 29.531 1.00 0.00 ATOM 793 O ILE 101 11.114 2.315 29.128 1.00 0.00 ATOM 794 C ILE 101 10.079 2.107 28.491 1.00 0.00 ATOM 795 N LYS 102 9.771 0.899 28.013 1.00 0.00 ATOM 796 CA LYS 102 10.621 -0.241 28.242 1.00 0.00 ATOM 797 CB LYS 102 10.025 -1.494 27.597 1.00 0.00 ATOM 798 CG LYS 102 10.840 -2.757 27.824 1.00 0.00 ATOM 799 CD LYS 102 10.157 -3.970 27.218 1.00 0.00 ATOM 800 CE LYS 102 10.995 -5.226 27.403 1.00 0.00 ATOM 801 NZ LYS 102 10.349 -6.420 26.792 1.00 0.00 ATOM 802 O LYS 102 13.018 -0.284 28.276 1.00 0.00 ATOM 803 C LYS 102 11.998 0.007 27.639 1.00 0.00 ATOM 804 N ASP 103 12.057 0.518 26.378 1.00 0.00 ATOM 805 CA ASP 103 13.338 0.813 25.737 1.00 0.00 ATOM 806 CB ASP 103 12.642 1.592 24.270 1.00 0.00 ATOM 807 CG ASP 103 13.320 1.545 22.879 1.00 0.00 ATOM 808 OD1 ASP 103 14.082 0.635 22.561 1.00 0.00 ATOM 809 OD2 ASP 103 13.143 2.471 22.089 1.00 0.00 ATOM 810 O ASP 103 15.309 1.757 26.685 1.00 0.00 ATOM 811 C ASP 103 14.104 1.874 26.487 1.00 0.00 ATOM 812 N MET 104 13.437 2.895 26.910 1.00 0.00 ATOM 813 CA MET 104 14.109 3.960 27.685 1.00 0.00 ATOM 814 CB MET 104 13.215 5.127 28.056 1.00 0.00 ATOM 815 CG MET 104 12.754 5.949 26.866 1.00 0.00 ATOM 816 SD MET 104 11.860 7.444 27.379 1.00 0.00 ATOM 817 CE MET 104 10.319 6.708 27.969 1.00 0.00 ATOM 818 O MET 104 15.893 3.739 29.270 1.00 0.00 ATOM 819 C MET 104 14.763 3.387 28.954 1.00 0.00 ATOM 820 N TYR 105 14.064 2.530 29.651 1.00 0.00 ATOM 821 CA TYR 105 14.574 1.954 30.877 1.00 0.00 ATOM 822 CB TYR 105 13.547 1.000 31.490 1.00 0.00 ATOM 823 CG TYR 105 14.019 0.323 32.757 1.00 0.00 ATOM 824 CD1 TYR 105 13.989 0.991 33.974 1.00 0.00 ATOM 825 CD2 TYR 105 14.494 -0.982 32.731 1.00 0.00 ATOM 826 CE1 TYR 105 14.418 0.381 35.136 1.00 0.00 ATOM 827 CE2 TYR 105 14.928 -1.608 33.884 1.00 0.00 ATOM 828 CZ TYR 105 14.887 -0.915 35.092 1.00 0.00 ATOM 829 OH TYR 105 15.314 -1.526 36.249 1.00 0.00 ATOM 830 O TYR 105 16.822 1.263 31.424 1.00 0.00 ATOM 831 C TYR 105 15.851 1.162 30.685 1.00 0.00 ATOM 832 N ARG 106 15.834 0.245 29.740 1.00 0.00 ATOM 833 CA ARG 106 16.994 -0.561 29.454 1.00 0.00 ATOM 834 CB ARG 106 16.710 -2.025 29.321 1.00 0.00 ATOM 835 CG ARG 106 16.529 -2.689 30.703 1.00 0.00 ATOM 836 CD ARG 106 16.353 -4.222 30.568 1.00 0.00 ATOM 837 NE ARG 106 15.200 -4.431 29.722 1.00 0.00 ATOM 838 CZ ARG 106 13.927 -4.512 30.061 1.00 0.00 ATOM 839 NH1 ARG 106 13.586 -4.466 31.376 1.00 0.00 ATOM 840 NH2 ARG 106 13.088 -4.653 29.002 1.00 0.00 ATOM 841 O ARG 106 18.775 0.092 28.006 1.00 0.00 ATOM 842 C ARG 106 17.577 -0.248 28.119 1.00 0.00 ATOM 843 N GLN 107 16.848 -0.208 26.835 1.00 0.00 ATOM 844 CA GLN 107 17.328 -0.226 25.460 1.00 0.00 ATOM 845 CB GLN 107 16.512 -1.150 24.554 1.00 0.00 ATOM 846 CG GLN 107 16.793 -2.630 24.762 1.00 0.00 ATOM 847 CD GLN 107 15.872 -3.516 23.946 1.00 0.00 ATOM 848 OE1 GLN 107 15.063 -3.029 23.157 1.00 0.00 ATOM 849 NE2 GLN 107 15.992 -4.825 24.138 1.00 0.00 ATOM 850 O GLN 107 18.551 1.277 24.055 1.00 0.00 ATOM 851 C GLN 107 17.445 0.887 24.435 1.00 0.00 ATOM 852 N GLY 108 16.308 1.440 24.028 1.00 0.00 ATOM 853 CA GLY 108 16.324 2.510 23.050 1.00 0.00 ATOM 854 O GLY 108 16.662 2.801 20.700 1.00 0.00 ATOM 855 C GLY 108 16.548 2.010 21.636 1.00 0.00 ATOM 856 N LYS 109 16.576 0.720 21.423 1.00 0.00 ATOM 857 CA LYS 109 16.763 0.061 20.165 1.00 0.00 ATOM 858 CB LYS 109 17.946 -0.906 20.238 1.00 0.00 ATOM 859 CG LYS 109 19.292 -0.229 20.438 1.00 0.00 ATOM 860 CD LYS 109 20.428 -1.238 20.414 1.00 0.00 ATOM 861 CE LYS 109 21.770 -0.566 20.653 1.00 0.00 ATOM 862 NZ LYS 109 22.895 -1.540 20.606 1.00 0.00 ATOM 863 O LYS 109 14.887 -1.305 20.764 1.00 0.00 ATOM 864 C LYS 109 15.456 -0.660 19.881 1.00 0.00 ATOM 865 N ILE 110 14.953 -0.583 18.644 1.00 0.00 ATOM 866 CA ILE 110 13.716 -1.233 18.258 1.00 0.00 ATOM 867 CB ILE 110 12.568 -0.203 18.090 1.00 0.00 ATOM 868 CG1 ILE 110 12.853 0.802 16.970 1.00 0.00 ATOM 869 CG2 ILE 110 12.273 0.534 19.383 1.00 0.00 ATOM 870 CD1 ILE 110 11.579 1.556 16.549 1.00 0.00 ATOM 871 O ILE 110 14.620 -1.802 16.088 1.00 0.00 ATOM 872 C ILE 110 13.971 -2.162 17.076 1.00 0.00 ATOM 873 N SER 111 12.831 -3.172 17.200 1.00 0.00 ATOM 874 CA SER 111 12.839 -4.119 16.094 1.00 0.00 ATOM 875 CB SER 111 12.675 -5.549 16.613 1.00 0.00 ATOM 876 OG SER 111 11.418 -5.722 17.245 1.00 0.00 ATOM 877 O SER 111 11.925 -3.656 13.919 1.00 0.00 ATOM 878 C SER 111 11.704 -3.839 15.118 1.00 0.00 ATOM 879 N PHE 112 10.400 -3.843 15.202 1.00 0.00 ATOM 880 CA PHE 112 9.192 -3.570 14.446 1.00 0.00 ATOM 881 CB PHE 112 8.200 -4.467 14.613 1.00 0.00 ATOM 882 CG PHE 112 8.163 -5.010 13.211 1.00 0.00 ATOM 883 CD1 PHE 112 8.811 -6.202 12.891 1.00 0.00 ATOM 884 CD2 PHE 112 7.503 -4.316 12.205 1.00 0.00 ATOM 885 CE1 PHE 112 8.803 -6.688 11.586 1.00 0.00 ATOM 886 CE2 PHE 112 7.488 -4.795 10.895 1.00 0.00 ATOM 887 CZ PHE 112 8.139 -5.980 10.587 1.00 0.00 ATOM 888 O PHE 112 8.463 -2.405 16.415 1.00 0.00 ATOM 889 C PHE 112 8.254 -2.674 15.227 1.00 0.00 ATOM 890 N TYR 113 7.218 -2.168 14.561 1.00 0.00 ATOM 891 CA TYR 113 6.245 -1.292 15.175 1.00 0.00 ATOM 892 CB TYR 113 6.211 0.104 14.543 1.00 0.00 ATOM 893 CG TYR 113 5.883 0.202 13.107 1.00 0.00 ATOM 894 CD1 TYR 113 4.576 0.185 12.657 1.00 0.00 ATOM 895 CD2 TYR 113 6.844 0.296 12.096 1.00 0.00 ATOM 896 CE1 TYR 113 4.240 0.238 11.301 1.00 0.00 ATOM 897 CE2 TYR 113 6.539 0.355 10.768 1.00 0.00 ATOM 898 CZ TYR 113 5.246 0.327 10.372 1.00 0.00 ATOM 899 OH TYR 113 4.884 0.349 9.004 1.00 0.00 ATOM 900 O TYR 113 4.610 -2.720 14.157 1.00 0.00 ATOM 901 C TYR 113 4.878 -1.956 15.088 1.00 0.00 ATOM 902 N GLU 114 4.028 -1.689 16.069 1.00 0.00 ATOM 903 CA GLU 114 2.684 -2.238 16.066 1.00 0.00 ATOM 904 CB GLU 114 2.718 -3.693 16.718 1.00 0.00 ATOM 905 CG GLU 114 2.747 -3.614 18.254 1.00 0.00 ATOM 906 CD GLU 114 2.638 -4.981 18.911 1.00 0.00 ATOM 907 OE1 GLU 114 2.509 -5.996 18.201 1.00 0.00 ATOM 908 OE2 GLU 114 2.713 -5.075 20.142 1.00 0.00 ATOM 909 O GLU 114 1.630 -0.511 17.347 1.00 0.00 ATOM 910 C GLU 114 1.732 -1.069 16.253 1.00 0.00 ATOM 911 N VAL 115 1.026 -0.713 15.181 1.00 0.00 ATOM 912 CA VAL 115 0.072 0.390 15.248 1.00 0.00 ATOM 913 CB VAL 115 -0.369 0.839 13.841 1.00 0.00 ATOM 914 CG1 VAL 115 -1.424 1.934 13.927 1.00 0.00 ATOM 915 CG2 VAL 115 0.848 1.365 13.084 1.00 0.00 ATOM 916 O VAL 115 -1.419 0.980 17.036 1.00 0.00 ATOM 917 C VAL 115 -0.945 0.074 16.351 1.00 0.00 ATOM 918 N TRP 116 -1.242 -1.207 16.533 1.00 0.00 ATOM 919 CA TRP 116 -2.194 -1.586 17.573 1.00 0.00 ATOM 920 CB TRP 116 -3.047 -2.805 17.198 1.00 0.00 ATOM 921 CG TRP 116 -3.909 -3.297 18.341 1.00 0.00 ATOM 922 CD1 TRP 116 -4.138 -2.659 19.533 1.00 0.00 ATOM 923 CD2 TRP 116 -4.631 -4.533 18.407 1.00 0.00 ATOM 924 CE2 TRP 116 -5.271 -4.580 19.670 1.00 0.00 ATOM 925 CE3 TRP 116 -4.798 -5.610 17.524 1.00 0.00 ATOM 926 NE1 TRP 116 -4.953 -3.424 20.335 1.00 0.00 ATOM 927 CZ2 TRP 116 -6.063 -5.658 20.070 1.00 0.00 ATOM 928 CZ3 TRP 116 -5.589 -6.685 17.922 1.00 0.00 ATOM 929 CH2 TRP 116 -6.212 -6.701 19.186 1.00 0.00 ATOM 930 O TRP 116 -0.714 -3.110 18.702 1.00 0.00 ATOM 931 C TRP 116 -1.147 -1.960 18.613 1.00 0.00 TER END