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 try8-opt2, yet another model. METHOD REMARK 6 REMARK 6 T0242 model 4 Mon Aug 23 11:28:23 2004 MODEL 4 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 1.531 -10.246 18.326 1.00 0.00 ATOM 2 CA MET 1 2.092 -10.893 17.107 1.00 0.00 ATOM 3 CB MET 1 1.628 -10.080 15.862 1.00 0.00 ATOM 4 CG MET 1 1.858 -10.771 14.523 1.00 0.00 ATOM 5 SD MET 1 1.574 -9.618 13.001 1.00 0.00 ATOM 6 CE MET 1 3.387 -9.006 12.754 1.00 0.00 ATOM 7 O MET 1 4.443 -10.484 17.519 1.00 0.00 ATOM 8 C MET 1 3.576 -11.298 17.193 1.00 0.00 ATOM 9 N GLY 2 3.840 -12.536 16.882 1.00 0.00 ATOM 10 CA GLY 2 5.200 -13.059 16.951 1.00 0.00 ATOM 11 O GLY 2 7.349 -12.126 16.482 1.00 0.00 ATOM 12 C GLY 2 6.204 -12.313 16.091 1.00 0.00 ATOM 13 N LYS 3 5.782 -11.905 14.905 1.00 0.00 ATOM 14 CA LYS 3 6.692 -11.158 14.015 1.00 0.00 ATOM 15 CB LYS 3 6.069 -10.993 12.627 1.00 0.00 ATOM 16 CG LYS 3 5.912 -12.293 11.857 1.00 0.00 ATOM 17 CD LYS 3 5.320 -12.052 10.478 1.00 0.00 ATOM 18 CE LYS 3 5.167 -13.354 9.707 1.00 0.00 ATOM 19 NZ LYS 3 4.596 -13.129 8.351 1.00 0.00 ATOM 20 O LYS 3 6.237 -9.047 15.050 1.00 0.00 ATOM 21 C LYS 3 7.065 -9.748 14.465 1.00 0.00 ATOM 22 N VAL 4 8.411 -9.393 14.520 1.00 0.00 ATOM 23 CA VAL 4 8.603 -8.073 15.092 1.00 0.00 ATOM 24 CB VAL 4 9.787 -8.052 16.076 1.00 0.00 ATOM 25 CG1 VAL 4 10.004 -6.649 16.620 1.00 0.00 ATOM 26 CG2 VAL 4 9.523 -8.984 17.248 1.00 0.00 ATOM 27 O VAL 4 9.658 -7.475 13.025 1.00 0.00 ATOM 28 C VAL 4 8.876 -7.149 13.923 1.00 0.00 ATOM 29 N PHE 5 8.195 -6.008 13.920 1.00 0.00 ATOM 30 CA PHE 5 8.452 -4.976 12.925 1.00 0.00 ATOM 31 CB PHE 5 7.137 -4.368 12.434 1.00 0.00 ATOM 32 CG PHE 5 6.270 -5.330 11.673 1.00 0.00 ATOM 33 CD1 PHE 5 6.799 -6.500 11.158 1.00 0.00 ATOM 34 CD2 PHE 5 4.926 -5.065 11.472 1.00 0.00 ATOM 35 CE1 PHE 5 6.002 -7.387 10.456 1.00 0.00 ATOM 36 CE2 PHE 5 4.130 -5.951 10.771 1.00 0.00 ATOM 37 CZ PHE 5 4.662 -7.107 10.264 1.00 0.00 ATOM 38 O PHE 5 9.309 -3.251 14.339 1.00 0.00 ATOM 39 C PHE 5 9.523 -3.987 13.382 1.00 0.00 ATOM 40 N LEU 6 10.910 -3.770 12.754 1.00 0.00 ATOM 41 CA LEU 6 12.028 -2.881 13.076 1.00 0.00 ATOM 42 CB LEU 6 13.244 -3.761 13.373 1.00 0.00 ATOM 43 CG LEU 6 14.566 -3.032 13.616 1.00 0.00 ATOM 44 CD1 LEU 6 14.468 -2.134 14.841 1.00 0.00 ATOM 45 CD2 LEU 6 15.694 -4.024 13.843 1.00 0.00 ATOM 46 O LEU 6 12.180 -2.800 10.684 1.00 0.00 ATOM 47 C LEU 6 12.141 -2.157 11.713 1.00 0.00 ATOM 48 N THR 7 12.101 -0.857 11.855 1.00 0.00 ATOM 49 CA THR 7 12.140 -0.105 10.603 1.00 0.00 ATOM 50 CB THR 7 11.795 1.371 10.865 1.00 0.00 ATOM 51 CG2 THR 7 11.863 2.185 9.572 1.00 0.00 ATOM 52 OG1 THR 7 10.468 1.453 11.404 1.00 0.00 ATOM 53 O THR 7 13.522 -0.474 8.676 1.00 0.00 ATOM 54 C THR 7 13.478 -0.236 9.882 1.00 0.00 ATOM 55 N ASN 8 14.571 -0.125 10.622 1.00 0.00 ATOM 56 CA ASN 8 15.907 -0.241 10.067 1.00 0.00 ATOM 57 CB ASN 8 16.813 0.860 10.621 1.00 0.00 ATOM 58 CG ASN 8 16.419 2.240 10.132 1.00 0.00 ATOM 59 ND2 ASN 8 16.732 3.258 10.925 1.00 0.00 ATOM 60 OD1 ASN 8 15.840 2.386 9.056 1.00 0.00 ATOM 61 O ASN 8 15.765 -2.134 11.530 1.00 0.00 ATOM 62 C ASN 8 16.302 -1.637 10.544 1.00 0.00 ATOM 63 N ALA 9 17.197 -2.288 9.821 1.00 0.00 ATOM 64 CA ALA 9 17.659 -3.619 10.175 1.00 0.00 ATOM 65 CB ALA 9 17.463 -4.575 9.009 1.00 0.00 ATOM 66 O ALA 9 19.906 -2.802 9.883 1.00 0.00 ATOM 67 C ALA 9 19.145 -3.533 10.523 1.00 0.00 ATOM 68 N PHE 10 19.513 -4.046 11.892 1.00 0.00 ATOM 69 CA PHE 10 20.877 -4.038 12.409 1.00 0.00 ATOM 70 CB PHE 10 20.961 -3.372 13.800 1.00 0.00 ATOM 71 CG PHE 10 20.826 -1.877 13.795 1.00 0.00 ATOM 72 CD1 PHE 10 19.579 -1.268 13.871 1.00 0.00 ATOM 73 CD2 PHE 10 21.961 -1.074 13.722 1.00 0.00 ATOM 74 CE1 PHE 10 19.467 0.123 13.880 1.00 0.00 ATOM 75 CE2 PHE 10 21.860 0.313 13.729 1.00 0.00 ATOM 76 CZ PHE 10 20.608 0.913 13.807 1.00 0.00 ATOM 77 O PHE 10 20.750 -6.390 12.835 1.00 0.00 ATOM 78 C PHE 10 21.441 -5.443 12.417 1.00 0.00 ATOM 79 N SER 11 22.663 -5.588 11.908 1.00 0.00 ATOM 80 CA SER 11 23.316 -6.888 11.874 1.00 0.00 ATOM 81 CB SER 11 24.717 -6.769 11.270 1.00 0.00 ATOM 82 OG SER 11 25.568 -6.002 12.102 1.00 0.00 ATOM 83 O SER 11 23.391 -8.798 13.267 1.00 0.00 ATOM 84 C SER 11 23.402 -7.551 13.224 1.00 0.00 ATOM 85 N ILE 12 23.528 -6.794 14.385 1.00 0.00 ATOM 86 CA ILE 12 23.556 -7.382 15.703 1.00 0.00 ATOM 87 CB ILE 12 23.621 -6.314 16.850 1.00 0.00 ATOM 88 CG1 ILE 12 24.780 -5.346 16.651 1.00 0.00 ATOM 89 CG2 ILE 12 23.765 -7.011 18.238 1.00 0.00 ATOM 90 CD1 ILE 12 24.646 -4.080 17.486 1.00 0.00 ATOM 91 O ILE 12 22.434 -9.378 16.405 1.00 0.00 ATOM 92 C ILE 12 22.325 -8.227 15.993 1.00 0.00 ATOM 93 N ASN 13 21.150 -7.618 15.781 1.00 0.00 ATOM 94 CA ASN 13 19.884 -8.300 16.025 1.00 0.00 ATOM 95 CB ASN 13 18.709 -7.351 15.783 1.00 0.00 ATOM 96 CG ASN 13 18.568 -6.309 16.876 1.00 0.00 ATOM 97 ND2 ASN 13 17.870 -5.222 16.568 1.00 0.00 ATOM 98 OD1 ASN 13 19.081 -6.482 17.982 1.00 0.00 ATOM 99 O ASN 13 19.342 -10.598 15.565 1.00 0.00 ATOM 100 C ASN 13 19.748 -9.524 15.119 1.00 0.00 ATOM 101 N MET 14 20.129 -9.316 13.890 1.00 0.00 ATOM 102 CA MET 14 20.056 -10.392 12.907 1.00 0.00 ATOM 103 CB MET 14 20.427 -9.910 11.503 1.00 0.00 ATOM 104 CG MET 14 19.434 -8.932 10.899 1.00 0.00 ATOM 105 SD MET 14 19.942 -8.336 9.275 1.00 0.00 ATOM 106 CE MET 14 19.725 -9.813 8.288 1.00 0.00 ATOM 107 O MET 14 20.518 -12.696 13.290 1.00 0.00 ATOM 108 C MET 14 20.975 -11.549 13.273 1.00 0.00 ATOM 109 N LEU 15 22.187 -11.243 13.724 1.00 0.00 ATOM 110 CA LEU 15 23.117 -12.303 14.149 1.00 0.00 ATOM 111 CB LEU 15 24.468 -11.751 14.506 1.00 0.00 ATOM 112 CG LEU 15 25.257 -11.164 13.336 1.00 0.00 ATOM 113 CD1 LEU 15 26.541 -10.530 13.829 1.00 0.00 ATOM 114 CD2 LEU 15 25.558 -12.272 12.341 1.00 0.00 ATOM 115 O LEU 15 22.712 -14.299 15.419 1.00 0.00 ATOM 116 C LEU 15 22.571 -13.079 15.343 1.00 0.00 ATOM 117 N LYS 16 21.950 -12.361 16.281 1.00 0.00 ATOM 118 CA LYS 16 21.379 -12.998 17.455 1.00 0.00 ATOM 119 CB LYS 16 20.809 -11.946 18.393 1.00 0.00 ATOM 120 CG LYS 16 20.014 -12.497 19.547 1.00 0.00 ATOM 121 CD LYS 16 20.853 -13.347 20.483 1.00 0.00 ATOM 122 CE LYS 16 21.986 -12.546 21.126 1.00 0.00 ATOM 123 NZ LYS 16 22.731 -13.333 22.196 1.00 0.00 ATOM 124 O LYS 16 20.123 -15.071 17.481 1.00 0.00 ATOM 125 C LYS 16 20.254 -13.952 17.000 1.00 0.00 ATOM 126 N GLU 17 19.412 -13.459 16.089 1.00 0.00 ATOM 127 CA GLU 17 18.296 -14.285 15.619 1.00 0.00 ATOM 128 CB GLU 17 17.163 -13.444 15.020 1.00 0.00 ATOM 129 CG GLU 17 16.046 -14.263 14.371 1.00 0.00 ATOM 130 CD GLU 17 15.296 -15.206 15.310 1.00 0.00 ATOM 131 OE1 GLU 17 15.411 -15.064 16.549 1.00 0.00 ATOM 132 OE2 GLU 17 14.604 -16.106 14.785 1.00 0.00 ATOM 133 O GLU 17 18.297 -16.537 14.816 1.00 0.00 ATOM 134 C GLU 17 18.796 -15.421 14.747 1.00 0.00 ATOM 135 N PHE 18 17.845 -15.040 13.173 1.00 0.00 ATOM 136 CA PHE 18 18.403 -14.213 12.110 1.00 0.00 ATOM 137 CB PHE 18 19.438 -15.002 11.294 1.00 0.00 ATOM 138 CG PHE 18 20.053 -14.213 10.174 1.00 0.00 ATOM 139 CD1 PHE 18 20.901 -13.142 10.442 1.00 0.00 ATOM 140 CD2 PHE 18 19.769 -14.527 8.851 1.00 0.00 ATOM 141 CE1 PHE 18 21.458 -12.396 9.402 1.00 0.00 ATOM 142 CE2 PHE 18 20.320 -13.790 7.806 1.00 0.00 ATOM 143 CZ PHE 18 21.166 -12.722 8.082 1.00 0.00 ATOM 144 O PHE 18 17.260 -12.433 10.968 1.00 0.00 ATOM 145 C PHE 18 17.246 -13.616 11.317 1.00 0.00 ATOM 146 N PRO 19 16.233 -14.433 11.041 1.00 0.00 ATOM 147 CA PRO 19 15.073 -13.964 10.295 1.00 0.00 ATOM 148 CB PRO 19 14.217 -15.085 9.984 1.00 0.00 ATOM 149 CG PRO 19 14.630 -16.137 10.996 1.00 0.00 ATOM 150 CD PRO 19 16.130 -15.987 10.924 1.00 0.00 ATOM 151 O PRO 19 13.978 -11.820 10.534 1.00 0.00 ATOM 152 C PRO 19 14.386 -12.848 11.077 1.00 0.00 ATOM 153 N THR 20 12.360 -13.016 11.164 1.00 0.00 ATOM 154 CA THR 20 11.828 -12.686 12.480 1.00 0.00 ATOM 155 CB THR 20 12.814 -13.065 13.600 1.00 0.00 ATOM 156 CG2 THR 20 12.253 -12.675 14.960 1.00 0.00 ATOM 157 OG1 THR 20 13.042 -14.480 13.581 1.00 0.00 ATOM 158 O THR 20 10.507 -10.771 13.091 1.00 0.00 ATOM 159 C THR 20 11.553 -11.185 12.584 1.00 0.00 ATOM 160 N THR 21 12.448 -10.367 12.052 1.00 0.00 ATOM 161 CA THR 21 12.294 -8.949 12.059 1.00 0.00 ATOM 162 CB THR 21 13.522 -8.230 12.610 1.00 0.00 ATOM 163 CG2 THR 21 13.292 -6.725 12.825 1.00 0.00 ATOM 164 OG1 THR 21 13.850 -8.782 13.908 1.00 0.00 ATOM 165 O THR 21 12.877 -8.792 9.718 1.00 0.00 ATOM 166 C THR 21 12.066 -8.485 10.621 1.00 0.00 ATOM 167 N ILE 22 11.016 -7.688 10.473 1.00 0.00 ATOM 168 CA ILE 22 10.706 -7.071 9.167 1.00 0.00 ATOM 169 CB ILE 22 9.248 -7.335 8.748 1.00 0.00 ATOM 170 CG1 ILE 22 8.998 -8.838 8.603 1.00 0.00 ATOM 171 CG2 ILE 22 8.947 -6.666 7.415 1.00 0.00 ATOM 172 CD1 ILE 22 7.539 -9.197 8.421 1.00 0.00 ATOM 173 O ILE 22 10.371 -4.957 10.215 1.00 0.00 ATOM 174 C ILE 22 10.931 -5.571 9.295 1.00 0.00 ATOM 175 N THR 23 11.735 -4.979 8.431 1.00 0.00 ATOM 176 CA THR 23 11.930 -3.535 8.409 1.00 0.00 ATOM 177 CB THR 23 13.421 -3.217 8.228 1.00 0.00 ATOM 178 CG2 THR 23 13.677 -1.722 8.214 1.00 0.00 ATOM 179 OG1 THR 23 14.092 -3.834 9.340 1.00 0.00 ATOM 180 O THR 23 11.295 -3.398 6.091 1.00 0.00 ATOM 181 C THR 23 11.151 -2.979 7.232 1.00 0.00 ATOM 182 N ILE 24 10.321 -1.962 7.573 1.00 0.00 ATOM 183 CA ILE 24 9.516 -1.291 6.582 1.00 0.00 ATOM 184 CB ILE 24 8.613 -0.218 7.221 1.00 0.00 ATOM 185 CG1 ILE 24 7.549 -0.873 8.103 1.00 0.00 ATOM 186 CG2 ILE 24 7.914 0.597 6.145 1.00 0.00 ATOM 187 CD1 ILE 24 6.794 0.105 8.977 1.00 0.00 ATOM 188 O ILE 24 10.159 -0.739 4.338 1.00 0.00 ATOM 189 C ILE 24 10.391 -0.599 5.541 1.00 0.00 ATOM 190 N ASP 25 11.397 0.140 5.997 1.00 0.00 ATOM 191 CA ASP 25 12.283 0.838 5.067 1.00 0.00 ATOM 192 CB ASP 25 13.363 1.606 5.830 1.00 0.00 ATOM 193 CG ASP 25 12.819 2.837 6.528 1.00 0.00 ATOM 194 OD1 ASP 25 11.671 3.229 6.233 1.00 0.00 ATOM 195 OD2 ASP 25 13.542 3.411 7.370 1.00 0.00 ATOM 196 O ASP 25 13.077 0.162 2.913 1.00 0.00 ATOM 197 C ASP 25 12.985 -0.108 4.117 1.00 0.00 ATOM 198 N LYS 26 13.537 -1.318 4.591 1.00 0.00 ATOM 199 CA LYS 26 14.212 -2.289 3.739 1.00 0.00 ATOM 200 CB LYS 26 14.728 -3.466 4.573 1.00 0.00 ATOM 201 CG LYS 26 15.502 -4.500 3.772 1.00 0.00 ATOM 202 CD LYS 26 16.061 -5.589 4.674 1.00 0.00 ATOM 203 CE LYS 26 16.815 -6.636 3.870 1.00 0.00 ATOM 204 NZ LYS 26 17.351 -7.723 4.738 1.00 0.00 ATOM 205 O LYS 26 13.626 -3.008 1.512 1.00 0.00 ATOM 206 C LYS 26 13.277 -2.818 2.668 1.00 0.00 ATOM 207 N LEU 27 12.056 -3.095 3.050 1.00 0.00 ATOM 208 CA LEU 27 11.051 -3.626 2.119 1.00 0.00 ATOM 209 CB LEU 27 9.773 -4.023 2.837 1.00 0.00 ATOM 210 CG LEU 27 9.911 -5.266 3.723 1.00 0.00 ATOM 211 CD1 LEU 27 8.649 -5.423 4.554 1.00 0.00 ATOM 212 CD2 LEU 27 10.193 -6.511 2.887 1.00 0.00 ATOM 213 O LEU 27 10.559 -2.899 -0.123 1.00 0.00 ATOM 214 C LEU 27 10.724 -2.563 1.061 1.00 0.00 ATOM 215 N ASP 28 10.467 -1.197 1.592 1.00 0.00 ATOM 216 CA ASP 28 10.166 -0.112 0.646 1.00 0.00 ATOM 217 CB ASP 28 10.042 1.224 1.385 1.00 0.00 ATOM 218 CG ASP 28 8.764 1.323 2.195 1.00 0.00 ATOM 219 OD1 ASP 28 7.870 0.473 2.003 1.00 0.00 ATOM 220 OD2 ASP 28 8.657 2.253 3.022 1.00 0.00 ATOM 221 O ASP 28 10.987 0.205 -1.592 1.00 0.00 ATOM 222 C ASP 28 11.266 0.024 -0.408 1.00 0.00 ATOM 223 N GLU 29 12.516 -0.076 0.042 1.00 0.00 ATOM 224 CA GLU 29 13.671 0.026 -0.850 1.00 0.00 ATOM 225 CB GLU 29 14.983 -0.132 -0.078 1.00 0.00 ATOM 226 CG GLU 29 16.230 0.007 -0.936 1.00 0.00 ATOM 227 CD GLU 29 17.508 -0.121 -0.131 1.00 0.00 ATOM 228 OE1 GLU 29 17.419 -0.307 1.101 1.00 0.00 ATOM 229 OE2 GLU 29 18.599 -0.036 -0.733 1.00 0.00 ATOM 230 O GLU 29 13.854 -0.814 -3.130 1.00 0.00 ATOM 231 C GLU 29 13.629 -1.052 -1.926 1.00 0.00 ATOM 232 N GLU 30 13.357 -2.282 -1.493 1.00 0.00 ATOM 233 CA GLU 30 13.285 -3.430 -2.427 1.00 0.00 ATOM 234 CB GLU 30 13.102 -4.730 -1.707 1.00 0.00 ATOM 235 CG GLU 30 14.356 -5.212 -0.964 1.00 0.00 ATOM 236 CD GLU 30 15.612 -5.200 -1.834 1.00 0.00 ATOM 237 OE1 GLU 30 15.499 -5.390 -3.062 1.00 0.00 ATOM 238 OE2 GLU 30 16.721 -5.019 -1.286 1.00 0.00 ATOM 239 O GLU 30 12.297 -3.547 -4.599 1.00 0.00 ATOM 240 C GLU 30 12.150 -3.251 -3.446 1.00 0.00 ATOM 241 N ASP 31 10.995 -2.806 -2.965 1.00 0.00 ATOM 242 CA ASP 31 9.855 -2.589 -3.828 1.00 0.00 ATOM 243 CB ASP 31 8.656 -2.093 -3.017 1.00 0.00 ATOM 244 CG ASP 31 8.042 -3.183 -2.158 1.00 0.00 ATOM 245 OD1 ASP 31 8.386 -4.366 -2.365 1.00 0.00 ATOM 246 OD2 ASP 31 7.219 -2.853 -1.280 1.00 0.00 ATOM 247 O ASP 31 9.789 -1.741 -6.078 1.00 0.00 ATOM 248 C ASP 31 10.149 -1.557 -4.918 1.00 0.00 ATOM 249 N PHE 32 10.831 -0.438 -4.551 1.00 0.00 ATOM 250 CA PHE 32 11.197 0.606 -5.497 1.00 0.00 ATOM 251 CB PHE 32 12.417 1.384 -4.628 1.00 0.00 ATOM 252 CG PHE 32 12.833 2.774 -4.991 1.00 0.00 ATOM 253 CD1 PHE 32 12.343 3.884 -4.293 1.00 0.00 ATOM 254 CD2 PHE 32 13.758 2.982 -6.009 1.00 0.00 ATOM 255 CE1 PHE 32 12.802 5.200 -4.641 1.00 0.00 ATOM 256 CE2 PHE 32 14.198 4.300 -6.337 1.00 0.00 ATOM 257 CZ PHE 32 13.709 5.375 -5.628 1.00 0.00 ATOM 258 O PHE 32 12.031 0.325 -7.719 1.00 0.00 ATOM 259 C PHE 32 12.161 0.047 -6.530 1.00 0.00 ATOM 260 N CYS 33 13.133 -0.745 -6.088 1.00 0.00 ATOM 261 CA CYS 33 14.098 -1.327 -7.011 1.00 0.00 ATOM 262 CB CYS 33 15.139 -2.169 -6.270 1.00 0.00 ATOM 263 SG CYS 33 16.319 -1.211 -5.294 1.00 0.00 ATOM 264 O CYS 33 13.615 -2.218 -9.202 1.00 0.00 ATOM 265 C CYS 33 13.368 -2.233 -7.989 1.00 0.00 ATOM 266 N LEU 34 12.466 -3.063 -7.457 1.00 0.00 ATOM 267 CA LEU 34 11.709 -3.997 -8.308 1.00 0.00 ATOM 268 CB LEU 34 10.730 -4.818 -7.466 1.00 0.00 ATOM 269 CG LEU 34 11.349 -5.846 -6.517 1.00 0.00 ATOM 270 CD1 LEU 34 10.285 -6.455 -5.617 1.00 0.00 ATOM 271 CD2 LEU 34 12.011 -6.970 -7.299 1.00 0.00 ATOM 272 O LEU 34 10.777 -3.739 -10.522 1.00 0.00 ATOM 273 C LEU 34 10.897 -3.280 -9.383 1.00 0.00 ATOM 274 N LYS 35 10.284 -2.272 -8.938 1.00 0.00 ATOM 275 CA LYS 35 9.455 -1.519 -9.821 1.00 0.00 ATOM 276 CB LYS 35 8.800 -0.352 -9.078 1.00 0.00 ATOM 277 CG LYS 35 7.745 -0.772 -8.068 1.00 0.00 ATOM 278 CD LYS 35 7.146 0.433 -7.361 1.00 0.00 ATOM 279 CE LYS 35 6.125 0.009 -6.316 1.00 0.00 ATOM 280 NZ LYS 35 5.543 1.180 -5.605 1.00 0.00 ATOM 281 O LYS 35 9.840 -1.012 -12.120 1.00 0.00 ATOM 282 C LYS 35 10.260 -0.955 -10.971 1.00 0.00 ATOM 283 N LEU 36 11.395 -0.327 -10.633 1.00 0.00 ATOM 284 CA LEU 36 12.257 0.225 -11.696 1.00 0.00 ATOM 285 CB LEU 36 13.490 0.899 -11.089 1.00 0.00 ATOM 286 CG LEU 36 14.471 1.534 -12.076 1.00 0.00 ATOM 287 CD1 LEU 36 13.792 2.641 -12.869 1.00 0.00 ATOM 288 CD2 LEU 36 15.659 2.136 -11.342 1.00 0.00 ATOM 289 O LEU 36 12.755 -0.739 -13.875 1.00 0.00 ATOM 290 C LEU 36 12.728 -0.898 -12.641 1.00 0.00 ATOM 291 N GLU 37 13.069 -2.061 -12.065 1.00 0.00 ATOM 292 CA GLU 37 13.484 -3.169 -12.914 1.00 0.00 ATOM 293 CB GLU 37 13.841 -4.392 -12.065 1.00 0.00 ATOM 294 CG GLU 37 15.127 -4.239 -11.268 1.00 0.00 ATOM 295 CD GLU 37 15.383 -5.415 -10.348 1.00 0.00 ATOM 296 OE1 GLU 37 14.521 -6.314 -10.277 1.00 0.00 ATOM 297 OE2 GLU 37 16.450 -5.437 -9.696 1.00 0.00 ATOM 298 O GLU 37 12.634 -3.954 -15.047 1.00 0.00 ATOM 299 C GLU 37 12.369 -3.603 -13.909 1.00 0.00 ATOM 300 N LEU 38 11.119 -3.562 -13.460 1.00 0.00 ATOM 301 CA LEU 38 9.974 -3.962 -14.276 1.00 0.00 ATOM 302 CB LEU 38 8.711 -4.054 -13.417 1.00 0.00 ATOM 303 CG LEU 38 8.753 -5.045 -12.253 1.00 0.00 ATOM 304 CD1 LEU 38 7.478 -4.959 -11.428 1.00 0.00 ATOM 305 CD2 LEU 38 8.894 -6.470 -12.764 1.00 0.00 ATOM 306 O LEU 38 8.824 -3.304 -16.248 1.00 0.00 ATOM 307 C LEU 38 9.664 -3.011 -15.397 1.00 0.00 ATOM 308 N ARG 39 10.324 -1.719 -15.347 1.00 0.00 ATOM 309 CA ARG 39 10.091 -0.705 -16.381 1.00 0.00 ATOM 310 CB ARG 39 9.655 -1.494 -17.691 1.00 0.00 ATOM 311 CG ARG 39 10.666 -2.507 -18.252 1.00 0.00 ATOM 312 CD ARG 39 12.010 -1.869 -18.652 1.00 0.00 ATOM 313 NE ARG 39 13.030 -1.977 -17.610 1.00 0.00 ATOM 314 CZ ARG 39 13.819 -0.979 -17.227 1.00 0.00 ATOM 315 NH1 ARG 39 13.723 0.217 -17.803 1.00 0.00 ATOM 316 NH2 ARG 39 14.687 -1.162 -16.236 1.00 0.00 ATOM 317 O ARG 39 9.170 1.452 -16.726 1.00 0.00 ATOM 318 C ARG 39 9.381 0.530 -15.927 1.00 0.00 ATOM 319 N LEU 40 9.020 0.607 -14.650 1.00 0.00 ATOM 320 CA LEU 40 8.418 1.810 -14.161 1.00 0.00 ATOM 321 CB LEU 40 7.836 1.588 -12.763 1.00 0.00 ATOM 322 CG LEU 40 6.655 0.621 -12.667 1.00 0.00 ATOM 323 CD1 LEU 40 6.260 0.395 -11.216 1.00 0.00 ATOM 324 CD2 LEU 40 5.445 1.173 -13.407 1.00 0.00 ATOM 325 O LEU 40 10.518 2.726 -13.524 1.00 0.00 ATOM 326 C LEU 40 9.451 2.921 -14.081 1.00 0.00 ATOM 327 N GLU 41 9.173 4.074 -14.707 1.00 0.00 ATOM 328 CA GLU 41 10.210 5.113 -14.684 1.00 0.00 ATOM 329 CB GLU 41 9.806 6.294 -15.569 1.00 0.00 ATOM 330 CG GLU 41 9.680 5.950 -17.045 1.00 0.00 ATOM 331 CD GLU 41 9.292 7.145 -17.892 1.00 0.00 ATOM 332 OE1 GLU 41 9.122 8.245 -17.324 1.00 0.00 ATOM 333 OE2 GLU 41 9.158 6.983 -19.123 1.00 0.00 ATOM 334 O GLU 41 9.598 5.653 -12.440 1.00 0.00 ATOM 335 C GLU 41 10.462 5.662 -13.291 1.00 0.00 ATOM 336 N ASP 42 11.627 6.509 -13.179 1.00 0.00 ATOM 337 CA ASP 42 11.793 7.126 -11.887 1.00 0.00 ATOM 338 CB ASP 42 12.621 8.536 -12.199 1.00 0.00 ATOM 339 CG ASP 42 13.266 9.234 -11.034 1.00 0.00 ATOM 340 OD1 ASP 42 13.963 8.555 -10.248 1.00 0.00 ATOM 341 OD2 ASP 42 13.085 10.465 -10.913 1.00 0.00 ATOM 342 O ASP 42 10.152 7.935 -10.330 1.00 0.00 ATOM 343 C ASP 42 10.556 7.932 -11.495 1.00 0.00 ATOM 344 N GLY 43 9.951 8.586 -12.482 1.00 0.00 ATOM 345 CA GLY 43 8.751 9.353 -12.197 1.00 0.00 ATOM 346 O GLY 43 6.833 8.827 -10.856 1.00 0.00 ATOM 347 C GLY 43 7.581 8.471 -11.777 1.00 0.00 ATOM 348 N THR 44 7.349 7.223 -12.393 1.00 0.00 ATOM 349 CA THR 44 6.329 6.288 -11.948 1.00 0.00 ATOM 350 CB THR 44 6.226 5.091 -12.911 1.00 0.00 ATOM 351 CG2 THR 44 5.176 4.104 -12.422 1.00 0.00 ATOM 352 OG1 THR 44 5.856 5.553 -14.215 1.00 0.00 ATOM 353 O THR 44 5.719 5.513 -9.771 1.00 0.00 ATOM 354 C THR 44 6.628 5.742 -10.572 1.00 0.00 ATOM 355 N LEU 45 7.927 5.543 -10.245 1.00 0.00 ATOM 356 CA LEU 45 8.272 5.114 -8.901 1.00 0.00 ATOM 357 CB LEU 45 9.760 4.961 -8.699 1.00 0.00 ATOM 358 CG LEU 45 10.329 3.781 -9.492 1.00 0.00 ATOM 359 CD1 LEU 45 11.834 3.887 -9.424 1.00 0.00 ATOM 360 CD2 LEU 45 9.847 2.474 -8.885 1.00 0.00 ATOM 361 O LEU 45 7.242 5.870 -6.819 1.00 0.00 ATOM 362 C LEU 45 7.843 6.153 -7.853 1.00 0.00 ATOM 363 N ILE 46 8.181 7.423 -8.156 1.00 0.00 ATOM 364 CA ILE 46 7.801 8.514 -7.296 1.00 0.00 ATOM 365 CB ILE 46 8.308 9.863 -7.839 1.00 0.00 ATOM 366 CG1 ILE 46 9.836 9.927 -7.766 1.00 0.00 ATOM 367 CG2 ILE 46 7.737 11.013 -7.025 1.00 0.00 ATOM 368 CD1 ILE 46 10.433 11.098 -8.517 1.00 0.00 ATOM 369 O ILE 46 5.792 8.852 -6.038 1.00 0.00 ATOM 370 C ILE 46 6.288 8.632 -7.135 1.00 0.00 ATOM 371 N ASN 47 5.569 8.468 -8.240 1.00 0.00 ATOM 372 CA ASN 47 4.116 8.543 -8.208 1.00 0.00 ATOM 373 CB ASN 47 3.530 8.278 -9.597 1.00 0.00 ATOM 374 CG ASN 47 3.763 9.431 -10.555 1.00 0.00 ATOM 375 ND2 ASN 47 3.659 9.152 -11.849 1.00 0.00 ATOM 376 OD1 ASN 47 4.034 10.556 -10.135 1.00 0.00 ATOM 377 O ASN 47 2.580 7.838 -6.541 1.00 0.00 ATOM 378 C ASN 47 3.521 7.543 -7.262 1.00 0.00 ATOM 379 N ALA 48 4.004 6.228 -7.368 1.00 0.00 ATOM 380 CA ALA 48 3.469 5.158 -6.533 1.00 0.00 ATOM 381 CB ALA 48 3.959 3.805 -7.027 1.00 0.00 ATOM 382 O ALA 48 3.097 4.825 -4.185 1.00 0.00 ATOM 383 C ALA 48 3.902 5.145 -5.067 1.00 0.00 ATOM 384 N ILE 49 5.149 5.464 -4.815 1.00 0.00 ATOM 385 CA ILE 49 5.703 5.439 -3.458 1.00 0.00 ATOM 386 CB ILE 49 7.186 5.856 -3.441 1.00 0.00 ATOM 387 CG1 ILE 49 8.031 4.849 -4.225 1.00 0.00 ATOM 388 CG2 ILE 49 7.706 5.912 -2.013 1.00 0.00 ATOM 389 CD1 ILE 49 9.447 5.313 -4.487 1.00 0.00 ATOM 390 O ILE 49 4.642 5.996 -1.398 1.00 0.00 ATOM 391 C ILE 49 4.905 6.362 -2.537 1.00 0.00 ATOM 392 N GLY 50 4.586 7.555 -2.992 1.00 0.00 ATOM 393 CA GLY 50 3.805 8.508 -2.195 1.00 0.00 ATOM 394 O GLY 50 2.059 7.908 -0.660 1.00 0.00 ATOM 395 C GLY 50 2.506 7.824 -1.802 1.00 0.00 ATOM 396 N HIS 51 1.857 7.047 -2.766 1.00 0.00 ATOM 397 CA HIS 51 0.616 6.329 -2.510 1.00 0.00 ATOM 398 CB HIS 51 -0.008 5.767 -3.758 1.00 0.00 ATOM 399 CG HIS 51 -0.551 6.783 -4.705 1.00 0.00 ATOM 400 CD2 HIS 51 -0.374 6.896 -6.042 1.00 0.00 ATOM 401 ND1 HIS 51 -1.409 7.792 -4.347 1.00 0.00 ATOM 402 CE1 HIS 51 -1.730 8.481 -5.436 1.00 0.00 ATOM 403 NE2 HIS 51 -1.127 7.950 -6.486 1.00 0.00 ATOM 404 O HIS 51 0.031 4.958 -0.624 1.00 0.00 ATOM 405 C HIS 51 0.786 5.128 -1.585 1.00 0.00 ATOM 406 N ASP 52 1.791 4.294 -1.886 1.00 0.00 ATOM 407 CA ASP 52 2.056 3.133 -1.020 1.00 0.00 ATOM 408 CB ASP 52 3.287 2.369 -1.510 1.00 0.00 ATOM 409 CG ASP 52 3.023 1.598 -2.788 1.00 0.00 ATOM 410 OD1 ASP 52 1.841 1.459 -3.165 1.00 0.00 ATOM 411 OD2 ASP 52 3.999 1.134 -3.415 1.00 0.00 ATOM 412 O ASP 52 1.819 2.992 1.373 1.00 0.00 ATOM 413 C ASP 52 2.353 3.571 0.416 1.00 0.00 ATOM 414 N SER 53 3.235 4.605 0.595 1.00 0.00 ATOM 415 CA SER 53 3.592 4.993 1.963 1.00 0.00 ATOM 416 CB SER 53 4.682 6.067 1.926 1.00 0.00 ATOM 417 OG SER 53 5.898 5.540 1.427 1.00 0.00 ATOM 418 O SER 53 2.222 5.325 3.883 1.00 0.00 ATOM 419 C SER 53 2.397 5.562 2.698 1.00 0.00 ATOM 420 N THR 54 1.528 6.281 1.978 1.00 0.00 ATOM 421 CA THR 54 0.352 6.894 2.617 1.00 0.00 ATOM 422 CB THR 54 -0.389 7.866 1.681 1.00 0.00 ATOM 423 CG2 THR 54 -1.622 8.431 2.365 1.00 0.00 ATOM 424 OG1 THR 54 0.482 8.947 1.325 1.00 0.00 ATOM 425 O THR 54 -1.249 5.958 4.102 1.00 0.00 ATOM 426 C THR 54 -0.645 5.830 3.042 1.00 0.00 ATOM 427 N ILE 55 -0.880 4.789 2.219 1.00 0.00 ATOM 428 CA ILE 55 -1.809 3.739 2.624 1.00 0.00 ATOM 429 CB ILE 55 -1.977 2.679 1.522 1.00 0.00 ATOM 430 CG1 ILE 55 -2.691 3.279 0.309 1.00 0.00 ATOM 431 CG2 ILE 55 -2.799 1.506 2.032 1.00 0.00 ATOM 432 CD1 ILE 55 -2.659 2.393 -0.918 1.00 0.00 ATOM 433 O ILE 55 -2.014 2.756 4.844 1.00 0.00 ATOM 434 C ILE 55 -1.278 3.048 3.885 1.00 0.00 ATOM 435 N ASN 56 0.013 2.731 3.850 1.00 0.00 ATOM 436 CA ASN 56 0.651 2.043 4.975 1.00 0.00 ATOM 437 CB ASN 56 2.129 1.783 4.676 1.00 0.00 ATOM 438 CG ASN 56 2.330 0.681 3.653 1.00 0.00 ATOM 439 ND2 ASN 56 3.505 0.658 3.034 1.00 0.00 ATOM 440 OD1 ASN 56 1.440 -0.136 3.423 1.00 0.00 ATOM 441 O ASN 56 0.282 2.349 7.332 1.00 0.00 ATOM 442 C ASN 56 0.553 2.879 6.252 1.00 0.00 ATOM 443 N LEU 57 0.742 4.188 6.108 1.00 0.00 ATOM 444 CA LEU 57 0.671 5.112 7.235 1.00 0.00 ATOM 445 CB LEU 57 0.807 6.521 6.810 1.00 0.00 ATOM 446 CG LEU 57 0.737 7.581 7.917 1.00 0.00 ATOM 447 CD1 LEU 57 1.986 7.502 8.766 1.00 0.00 ATOM 448 CD2 LEU 57 0.585 8.974 7.307 1.00 0.00 ATOM 449 O LEU 57 -0.810 4.950 9.118 1.00 0.00 ATOM 450 C LEU 57 -0.700 4.984 7.894 1.00 0.00 ATOM 451 N VAL 58 -1.709 4.962 7.142 1.00 0.00 ATOM 452 CA VAL 58 -3.055 4.811 7.678 1.00 0.00 ATOM 453 CB VAL 58 -4.121 4.964 6.578 1.00 0.00 ATOM 454 CG1 VAL 58 -5.498 4.620 7.121 1.00 0.00 ATOM 455 CG2 VAL 58 -4.152 6.394 6.059 1.00 0.00 ATOM 456 O VAL 58 -3.675 3.467 9.572 1.00 0.00 ATOM 457 C VAL 58 -3.284 3.484 8.404 1.00 0.00 ATOM 458 N ASN 59 -3.076 2.419 7.668 1.00 0.00 ATOM 459 CA ASN 59 -3.236 1.087 8.249 1.00 0.00 ATOM 460 CB ASN 59 -2.836 -0.039 7.292 1.00 0.00 ATOM 461 CG ASN 59 -3.850 -0.244 6.183 1.00 0.00 ATOM 462 ND2 ASN 59 -3.418 -0.882 5.100 1.00 0.00 ATOM 463 OD1 ASN 59 -5.005 0.165 6.300 1.00 0.00 ATOM 464 O ASN 59 -2.861 0.123 10.393 1.00 0.00 ATOM 465 C ASN 59 -2.435 0.871 9.514 1.00 0.00 ATOM 466 N THR 60 -1.254 1.484 9.617 1.00 0.00 ATOM 467 CA THR 60 -0.417 1.334 10.798 1.00 0.00 ATOM 468 CB THR 60 1.060 1.602 10.459 1.00 0.00 ATOM 469 CG2 THR 60 1.541 0.649 9.375 1.00 0.00 ATOM 470 OG1 THR 60 1.211 2.949 9.992 1.00 0.00 ATOM 471 O THR 60 -0.260 2.184 13.034 1.00 0.00 ATOM 472 C THR 60 -0.795 2.285 11.929 1.00 0.00 ATOM 473 N LEU 61 -1.722 3.189 11.673 1.00 0.00 ATOM 474 CA LEU 61 -2.174 4.162 12.656 1.00 0.00 ATOM 475 CB LEU 61 -2.714 5.437 11.993 1.00 0.00 ATOM 476 CG LEU 61 -1.870 6.052 10.879 1.00 0.00 ATOM 477 CD1 LEU 61 -2.555 7.293 10.350 1.00 0.00 ATOM 478 CD2 LEU 61 -0.482 6.388 11.427 1.00 0.00 ATOM 479 O LEU 61 -4.296 3.095 12.985 1.00 0.00 ATOM 480 C LEU 61 -3.236 3.457 13.496 1.00 0.00 ATOM 481 N CYS 62 -2.946 3.340 14.877 1.00 0.00 ATOM 482 CA CYS 62 -3.886 2.703 15.789 1.00 0.00 ATOM 483 CB CYS 62 -3.174 1.745 16.710 1.00 0.00 ATOM 484 SG CYS 62 -2.538 0.295 15.744 1.00 0.00 ATOM 485 O CYS 62 -3.581 4.661 17.126 1.00 0.00 ATOM 486 C CYS 62 -4.374 3.823 16.709 1.00 0.00 ATOM 487 N GLY 63 -5.672 3.866 17.003 1.00 0.00 ATOM 488 CA GLY 63 -6.220 4.923 17.879 1.00 0.00 ATOM 489 O GLY 63 -5.314 4.120 19.956 1.00 0.00 ATOM 490 C GLY 63 -5.456 5.080 19.199 1.00 0.00 ATOM 491 N THR 64 -5.097 6.390 19.493 1.00 0.00 ATOM 492 CA THR 64 -4.395 6.629 20.759 1.00 0.00 ATOM 493 CB THR 64 -3.934 8.094 20.882 1.00 0.00 ATOM 494 CG2 THR 64 -2.981 8.449 19.751 1.00 0.00 ATOM 495 OG1 THR 64 -5.072 8.962 20.820 1.00 0.00 ATOM 496 O THR 64 -4.763 6.540 23.121 1.00 0.00 ATOM 497 C THR 64 -5.284 6.498 22.002 1.00 0.00 ATOM 498 N GLN 65 -6.540 6.376 21.749 1.00 0.00 ATOM 499 CA GLN 65 -7.497 6.207 22.851 1.00 0.00 ATOM 500 CB GLN 65 -8.564 7.537 22.267 1.00 0.00 ATOM 501 CG GLN 65 -9.771 6.778 21.732 1.00 0.00 ATOM 502 CD GLN 65 -10.675 7.646 20.880 1.00 0.00 ATOM 503 OE1 GLN 65 -10.559 8.853 20.719 1.00 0.00 ATOM 504 NE2 GLN 65 -11.643 6.931 20.260 1.00 0.00 ATOM 505 O GLN 65 -8.652 4.402 23.977 1.00 0.00 ATOM 506 C GLN 65 -7.916 4.740 23.034 1.00 0.00 ATOM 507 N LEU 66 -7.437 3.858 22.156 1.00 0.00 ATOM 508 CA LEU 66 -7.810 2.451 22.229 1.00 0.00 ATOM 509 CB LEU 66 -7.996 1.923 20.802 1.00 0.00 ATOM 510 CG LEU 66 -8.954 2.737 19.914 1.00 0.00 ATOM 511 CD1 LEU 66 -9.045 2.124 18.487 1.00 0.00 ATOM 512 CD2 LEU 66 -10.280 2.783 20.597 1.00 0.00 ATOM 513 O LEU 66 -5.599 1.963 23.076 1.00 0.00 ATOM 514 C LEU 66 -6.766 1.604 22.924 1.00 0.00 ATOM 515 N GLN 67 -6.406 0.313 21.780 1.00 0.00 ATOM 516 CA GLN 67 -6.795 -1.003 22.270 1.00 0.00 ATOM 517 CB GLN 67 -7.513 -1.801 21.188 1.00 0.00 ATOM 518 CG GLN 67 -8.871 -1.239 20.790 1.00 0.00 ATOM 519 CD GLN 67 -9.693 -2.222 19.970 1.00 0.00 ATOM 520 OE1 GLN 67 -9.272 -2.670 18.900 1.00 0.00 ATOM 521 NE2 GLN 67 -10.873 -2.565 20.473 1.00 0.00 ATOM 522 O GLN 67 -4.440 -1.502 22.311 1.00 0.00 ATOM 523 C GLN 67 -5.581 -1.805 22.704 1.00 0.00 ATOM 524 N LYS 68 -5.835 -2.843 23.542 1.00 0.00 ATOM 525 CA LYS 68 -4.776 -3.722 24.015 1.00 0.00 ATOM 526 CB LYS 68 -5.577 -4.932 24.871 1.00 0.00 ATOM 527 CG LYS 68 -6.549 -4.637 25.976 1.00 0.00 ATOM 528 CD LYS 68 -7.945 -5.072 25.583 1.00 0.00 ATOM 529 CE LYS 68 -8.383 -6.274 26.378 1.00 0.00 ATOM 530 NZ LYS 68 -8.538 -5.889 27.801 1.00 0.00 ATOM 531 O LYS 68 -3.125 -4.990 22.847 1.00 0.00 ATOM 532 C LYS 68 -4.115 -4.270 22.758 1.00 0.00 ATOM 533 N ASN 69 -4.591 -3.910 21.490 1.00 0.00 ATOM 534 CA ASN 69 -4.022 -4.322 20.213 1.00 0.00 ATOM 535 CB ASN 69 -4.980 -4.215 19.074 1.00 0.00 ATOM 536 CG ASN 69 -6.062 -5.271 19.148 1.00 0.00 ATOM 537 ND2 ASN 69 -7.086 -5.122 18.313 1.00 0.00 ATOM 538 OD1 ASN 69 -5.973 -6.218 19.928 1.00 0.00 ATOM 539 O ASN 69 -1.791 -4.194 19.383 1.00 0.00 ATOM 540 C ASN 69 -2.764 -3.572 19.826 1.00 0.00 ATOM 541 N ARG 70 -2.726 -2.260 20.002 1.00 0.00 ATOM 542 CA ARG 70 -1.522 -1.503 19.651 1.00 0.00 ATOM 543 CB ARG 70 -0.750 -0.861 20.792 1.00 0.00 ATOM 544 CG ARG 70 -1.317 0.482 21.131 1.00 0.00 ATOM 545 CD ARG 70 -2.713 0.489 21.779 1.00 0.00 ATOM 546 NE ARG 70 -2.870 1.954 21.682 1.00 0.00 ATOM 547 CZ ARG 70 -3.571 2.592 20.771 1.00 0.00 ATOM 548 NH1 ARG 70 -4.380 1.944 19.947 1.00 0.00 ATOM 549 NH2 ARG 70 -3.593 3.926 20.749 1.00 0.00 ATOM 550 O ARG 70 0.841 -1.724 20.029 1.00 0.00 ATOM 551 C ARG 70 -0.293 -1.783 20.516 1.00 0.00 ATOM 552 N VAL 71 -0.955 -2.536 21.590 1.00 0.00 ATOM 553 CA VAL 71 0.070 -2.769 22.602 1.00 0.00 ATOM 554 CB VAL 71 -0.200 -3.532 23.977 1.00 0.00 ATOM 555 CG1 VAL 71 0.781 -3.315 25.081 1.00 0.00 ATOM 556 CG2 VAL 71 -1.611 -3.246 24.503 1.00 0.00 ATOM 557 O VAL 71 1.888 -4.339 22.872 1.00 0.00 ATOM 558 C VAL 71 0.663 -4.158 22.844 1.00 0.00 ATOM 559 N GLU 72 -0.205 -5.151 23.128 1.00 0.00 ATOM 560 CA GLU 72 0.293 -6.507 23.400 1.00 0.00 ATOM 561 CB GLU 72 0.159 -6.669 24.904 1.00 0.00 ATOM 562 CG GLU 72 0.694 -8.010 25.378 1.00 0.00 ATOM 563 CD GLU 72 0.332 -8.348 26.808 1.00 0.00 ATOM 564 OE1 GLU 72 -0.859 -8.550 27.114 1.00 0.00 ATOM 565 OE2 GLU 72 1.269 -8.405 27.640 1.00 0.00 ATOM 566 O GLU 72 -1.798 -7.610 23.063 1.00 0.00 ATOM 567 C GLU 72 -0.552 -7.595 22.834 1.00 0.00 ATOM 568 N VAL 73 0.047 -8.601 21.932 1.00 0.00 ATOM 569 CA VAL 73 -0.785 -9.763 21.643 1.00 0.00 ATOM 570 CB VAL 73 -1.491 -9.740 20.281 1.00 0.00 ATOM 571 CG1 VAL 73 -2.372 -10.970 20.139 1.00 0.00 ATOM 572 CG2 VAL 73 -2.283 -8.443 20.065 1.00 0.00 ATOM 573 O VAL 73 1.149 -11.020 21.092 1.00 0.00 ATOM 574 C VAL 73 0.127 -10.954 21.790 1.00 0.00 ATOM 575 N LYS 74 -0.194 -11.886 22.683 1.00 0.00 ATOM 576 CA LYS 74 0.721 -12.977 22.963 1.00 0.00 ATOM 577 CB LYS 74 1.349 -12.822 24.364 1.00 0.00 ATOM 578 CG LYS 74 2.430 -13.848 24.663 1.00 0.00 ATOM 579 CD LYS 74 2.943 -13.748 26.087 1.00 0.00 ATOM 580 CE LYS 74 3.959 -14.848 26.366 1.00 0.00 ATOM 581 NZ LYS 74 4.376 -14.861 27.794 1.00 0.00 ATOM 582 O LYS 74 -0.890 -14.689 23.443 1.00 0.00 ATOM 583 C LYS 74 0.051 -14.325 22.738 1.00 0.00 ATOM 584 N MET 75 0.652 -14.689 21.674 1.00 0.00 ATOM 585 CA MET 75 0.116 -16.036 21.438 1.00 0.00 ATOM 586 CB MET 75 0.486 -16.470 20.051 1.00 0.00 ATOM 587 CG MET 75 -0.727 -16.530 19.115 1.00 0.00 ATOM 588 SD MET 75 -0.590 -17.969 18.014 1.00 0.00 ATOM 589 CE MET 75 0.920 -17.553 17.151 1.00 0.00 ATOM 590 O MET 75 1.796 -16.304 23.222 1.00 0.00 ATOM 591 C MET 75 0.660 -16.563 22.747 1.00 0.00 ATOM 592 N ASN 76 -0.051 -17.600 23.378 1.00 0.00 ATOM 593 CA ASN 76 0.368 -18.389 24.531 1.00 0.00 ATOM 594 CB ASN 76 -1.046 -19.373 24.723 1.00 0.00 ATOM 595 CG ASN 76 -2.387 -18.711 24.405 1.00 0.00 ATOM 596 ND2 ASN 76 -3.155 -19.316 23.496 1.00 0.00 ATOM 597 OD1 ASN 76 -2.732 -17.674 24.982 1.00 0.00 ATOM 598 O ASN 76 2.484 -19.565 24.752 1.00 0.00 ATOM 599 C ASN 76 1.408 -19.439 24.131 1.00 0.00 ATOM 600 N GLU 77 1.106 -20.212 23.103 1.00 0.00 ATOM 601 CA GLU 77 2.037 -21.226 22.633 1.00 0.00 ATOM 602 CB GLU 77 1.616 -21.989 21.454 1.00 0.00 ATOM 603 CG GLU 77 0.327 -22.801 21.660 1.00 0.00 ATOM 604 CD GLU 77 0.451 -23.971 22.648 1.00 0.00 ATOM 605 OE1 GLU 77 0.931 -23.777 23.778 1.00 0.00 ATOM 606 OE2 GLU 77 0.027 -25.099 22.307 1.00 0.00 ATOM 607 O GLU 77 4.329 -21.285 21.975 1.00 0.00 ATOM 608 C GLU 77 3.312 -20.609 22.060 1.00 0.00 ATOM 609 N GLY 78 3.208 -19.442 21.502 1.00 0.00 ATOM 610 CA GLY 78 4.323 -18.715 20.916 1.00 0.00 ATOM 611 O GLY 78 3.863 -17.787 23.062 1.00 0.00 ATOM 612 C GLY 78 4.396 -17.621 21.966 1.00 0.00 ATOM 613 N ASP 79 4.873 -16.288 21.731 1.00 0.00 ATOM 614 CA ASP 79 5.047 -15.199 22.691 1.00 0.00 ATOM 615 CB ASP 79 6.268 -15.509 23.478 1.00 0.00 ATOM 616 CG ASP 79 5.923 -16.560 24.542 1.00 0.00 ATOM 617 OD1 ASP 79 4.785 -16.516 25.084 1.00 0.00 ATOM 618 OD2 ASP 79 6.754 -17.444 24.841 1.00 0.00 ATOM 619 O ASP 79 5.703 -12.947 22.244 1.00 0.00 ATOM 620 C ASP 79 4.881 -13.842 22.039 1.00 0.00 ATOM 621 N GLU 80 3.838 -13.705 21.236 1.00 0.00 ATOM 622 CA GLU 80 3.571 -12.465 20.527 1.00 0.00 ATOM 623 CB GLU 80 2.480 -12.684 19.408 1.00 0.00 ATOM 624 CG GLU 80 2.596 -13.909 18.528 1.00 0.00 ATOM 625 CD GLU 80 1.417 -14.017 17.559 1.00 0.00 ATOM 626 OE1 GLU 80 0.270 -13.750 17.989 1.00 0.00 ATOM 627 OE2 GLU 80 1.636 -14.369 16.374 1.00 0.00 ATOM 628 O GLU 80 2.482 -11.444 22.417 1.00 0.00 ATOM 629 C GLU 80 3.335 -11.298 21.490 1.00 0.00 ATOM 630 N ALA 81 4.105 -10.072 20.868 1.00 0.00 ATOM 631 CA ALA 81 3.753 -8.862 21.636 1.00 0.00 ATOM 632 CB ALA 81 4.863 -8.513 22.616 1.00 0.00 ATOM 633 O ALA 81 4.271 -7.715 19.603 1.00 0.00 ATOM 634 C ALA 81 3.575 -7.750 20.623 1.00 0.00 ATOM 635 N LEU 82 2.744 -6.996 20.996 1.00 0.00 ATOM 636 CA LEU 82 2.440 -5.933 20.051 1.00 0.00 ATOM 637 CB LEU 82 1.149 -5.806 19.639 1.00 0.00 ATOM 638 CG LEU 82 1.169 -6.384 18.216 1.00 0.00 ATOM 639 CD1 LEU 82 -0.149 -6.069 17.523 1.00 0.00 ATOM 640 CD2 LEU 82 2.363 -5.782 17.479 1.00 0.00 ATOM 641 O LEU 82 2.146 -4.443 21.906 1.00 0.00 ATOM 642 C LEU 82 2.565 -4.591 20.759 1.00 0.00 ATOM 643 N ILE 83 3.114 -3.746 20.071 1.00 0.00 ATOM 644 CA ILE 83 3.249 -2.408 20.641 1.00 0.00 ATOM 645 CB ILE 83 4.692 -2.096 20.986 1.00 0.00 ATOM 646 CG1 ILE 83 5.176 -3.102 22.054 1.00 0.00 ATOM 647 CG2 ILE 83 4.749 -0.635 21.479 1.00 0.00 ATOM 648 CD1 ILE 83 6.529 -2.820 22.594 1.00 0.00 ATOM 649 O ILE 83 3.297 -1.414 18.465 1.00 0.00 ATOM 650 C ILE 83 2.813 -1.390 19.594 1.00 0.00 ATOM 651 N ILE 84 1.868 -0.480 19.986 1.00 0.00 ATOM 652 CA ILE 84 1.211 0.494 19.123 1.00 0.00 ATOM 653 CB ILE 84 0.022 0.423 18.672 1.00 0.00 ATOM 654 CG1 ILE 84 0.196 -0.383 17.381 1.00 0.00 ATOM 655 CG2 ILE 84 -0.581 1.792 18.429 1.00 0.00 ATOM 656 CD1 ILE 84 -0.601 -1.678 17.421 1.00 0.00 ATOM 657 O ILE 84 1.568 2.137 20.838 1.00 0.00 ATOM 658 C ILE 84 1.665 1.855 19.641 1.00 0.00 ATOM 659 N MET 85 2.156 2.554 18.747 1.00 0.00 ATOM 660 CA MET 85 2.574 3.908 19.089 1.00 0.00 ATOM 661 CB MET 85 4.089 4.087 18.982 1.00 0.00 ATOM 662 CG MET 85 4.651 5.388 19.527 1.00 0.00 ATOM 663 SD MET 85 4.378 6.837 18.459 1.00 0.00 ATOM 664 CE MET 85 5.740 6.647 17.375 1.00 0.00 ATOM 665 O MET 85 1.713 4.992 17.157 1.00 0.00 ATOM 666 C MET 85 1.790 4.986 18.377 1.00 0.00 ATOM 667 N ILE 86 1.180 5.879 19.159 1.00 0.00 ATOM 668 CA ILE 86 0.329 6.935 18.590 1.00 0.00 ATOM 669 CB ILE 86 -1.044 6.949 19.292 1.00 0.00 ATOM 670 CG1 ILE 86 -1.751 5.597 19.042 1.00 0.00 ATOM 671 CG2 ILE 86 -1.891 8.097 18.734 1.00 0.00 ATOM 672 CD1 ILE 86 -1.999 5.262 17.562 1.00 0.00 ATOM 673 O ILE 86 1.296 8.581 20.049 1.00 0.00 ATOM 674 C ILE 86 1.047 8.249 18.889 1.00 0.00 ATOM 675 N SER 87 1.471 9.038 17.989 1.00 0.00 ATOM 676 CA SER 87 2.162 10.290 18.252 1.00 0.00 ATOM 677 CB SER 87 3.664 10.157 18.010 1.00 0.00 ATOM 678 OG SER 87 4.327 11.363 18.366 1.00 0.00 ATOM 679 O SER 87 1.425 11.061 16.109 1.00 0.00 ATOM 680 C SER 87 1.791 11.365 17.244 1.00 0.00 ATOM 681 N GLN 88 1.876 12.686 17.688 1.00 0.00 ATOM 682 CA GLN 88 1.569 13.824 16.826 1.00 0.00 ATOM 683 CB GLN 88 0.799 14.893 17.604 1.00 0.00 ATOM 684 CG GLN 88 -0.527 14.413 18.173 1.00 0.00 ATOM 685 CD GLN 88 -1.486 13.945 17.098 1.00 0.00 ATOM 686 OE1 GLN 88 -1.708 14.640 16.105 1.00 0.00 ATOM 687 NE2 GLN 88 -2.061 12.765 17.291 1.00 0.00 ATOM 688 O GLN 88 2.693 15.428 15.448 1.00 0.00 ATOM 689 C GLN 88 2.787 14.500 16.255 1.00 0.00 ATOM 690 N ARG 89 3.988 13.983 16.676 1.00 0.00 ATOM 691 CA ARG 89 5.243 14.514 16.238 1.00 0.00 ATOM 692 CB ARG 89 5.767 15.619 17.188 1.00 0.00 ATOM 693 CG ARG 89 6.341 14.976 18.434 1.00 0.00 ATOM 694 CD ARG 89 6.677 15.913 19.467 1.00 0.00 ATOM 695 NE ARG 89 7.454 15.385 20.596 1.00 0.00 ATOM 696 CZ ARG 89 6.963 15.077 21.786 1.00 0.00 ATOM 697 NH1 ARG 89 5.665 15.033 21.951 1.00 0.00 ATOM 698 NH2 ARG 89 7.772 14.743 22.768 1.00 0.00 ATOM 699 O ARG 89 6.246 12.355 16.522 1.00 0.00 ATOM 700 C ARG 89 6.409 13.537 16.218 1.00 0.00 ATOM 701 N LEU 90 7.613 14.192 15.887 1.00 0.00 ATOM 702 CA LEU 90 8.840 13.415 15.980 1.00 0.00 ATOM 703 CB LEU 90 9.857 13.895 14.942 1.00 0.00 ATOM 704 CG LEU 90 9.423 13.807 13.478 1.00 0.00 ATOM 705 CD1 LEU 90 10.492 14.387 12.565 1.00 0.00 ATOM 706 CD2 LEU 90 9.183 12.362 13.072 1.00 0.00 ATOM 707 O LEU 90 9.077 14.631 18.035 1.00 0.00 ATOM 708 C LEU 90 9.381 13.623 17.388 1.00 0.00 ATOM 709 N GLU 91 10.192 12.688 17.868 1.00 0.00 ATOM 710 CA GLU 91 10.754 12.835 19.198 1.00 0.00 ATOM 711 CB GLU 91 11.458 11.547 19.629 1.00 0.00 ATOM 712 CG GLU 91 10.518 10.377 19.871 1.00 0.00 ATOM 713 CD GLU 91 11.249 9.123 20.308 1.00 0.00 ATOM 714 OE1 GLU 91 12.497 9.141 20.332 1.00 0.00 ATOM 715 OE2 GLU 91 10.573 8.123 20.628 1.00 0.00 ATOM 716 O GLU 91 12.544 14.070 18.258 1.00 0.00 ATOM 717 C GLU 91 11.717 13.987 19.165 1.00 0.00 ATOM 718 N GLU 92 11.740 14.827 20.289 1.00 0.00 ATOM 719 CA GLU 92 12.685 15.912 20.345 1.00 0.00 ATOM 720 CB GLU 92 12.003 17.228 19.966 1.00 0.00 ATOM 721 CG GLU 92 12.921 18.438 20.010 1.00 0.00 ATOM 722 CD GLU 92 12.235 19.708 19.543 1.00 0.00 ATOM 723 OE1 GLU 92 11.056 19.632 19.137 1.00 0.00 ATOM 724 OE2 GLU 92 12.875 20.778 19.582 1.00 0.00 ATOM 725 O GLU 92 12.437 15.895 22.725 1.00 0.00 ATOM 726 C GLU 92 13.208 15.989 21.771 1.00 0.00 ATOM 727 N GLY 93 14.517 16.161 21.909 1.00 0.00 ATOM 728 CA GLY 93 15.115 16.270 23.227 1.00 0.00 ATOM 729 O GLY 93 15.774 14.949 25.104 1.00 0.00 ATOM 730 C GLY 93 15.302 14.960 23.968 1.00 0.00 ATOM 731 N LYS 94 14.925 13.856 23.335 1.00 0.00 ATOM 732 CA LYS 94 15.072 12.540 23.951 1.00 0.00 ATOM 733 CB LYS 94 14.306 11.486 23.150 1.00 0.00 ATOM 734 CG LYS 94 14.340 10.096 23.764 1.00 0.00 ATOM 735 CD LYS 94 13.485 9.121 22.969 1.00 0.00 ATOM 736 CE LYS 94 13.561 7.718 23.552 1.00 0.00 ATOM 737 NZ LYS 94 12.724 6.753 22.787 1.00 0.00 ATOM 738 O LYS 94 17.220 12.231 22.938 1.00 0.00 ATOM 739 C LYS 94 16.558 12.188 23.976 1.00 0.00 ATOM 740 N VAL 95 17.320 11.958 25.231 1.00 0.00 ATOM 741 CA VAL 95 18.727 11.603 25.393 1.00 0.00 ATOM 742 CB VAL 95 19.127 11.539 26.879 1.00 0.00 ATOM 743 CG1 VAL 95 18.939 12.896 27.540 1.00 0.00 ATOM 744 CG2 VAL 95 18.269 10.523 27.618 1.00 0.00 ATOM 745 O VAL 95 20.241 9.875 24.581 1.00 0.00 ATOM 746 C VAL 95 19.079 10.213 24.776 1.00 0.00 ATOM 747 N LEU 96 18.048 9.468 24.399 1.00 0.00 ATOM 748 CA LEU 96 18.194 8.136 23.832 1.00 0.00 ATOM 749 CB LEU 96 17.334 7.157 24.638 1.00 0.00 ATOM 750 CG LEU 96 17.530 7.146 26.148 1.00 0.00 ATOM 751 CD1 LEU 96 16.616 6.103 26.755 1.00 0.00 ATOM 752 CD2 LEU 96 18.978 6.884 26.494 1.00 0.00 ATOM 753 O LEU 96 16.957 8.831 21.893 1.00 0.00 ATOM 754 C LEU 96 17.874 8.139 22.346 1.00 0.00 ATOM 755 N SER 97 18.673 7.231 21.579 1.00 0.00 ATOM 756 CA SER 97 18.479 7.109 20.142 1.00 0.00 ATOM 757 CB SER 97 19.829 7.037 19.423 1.00 0.00 ATOM 758 OG SER 97 20.539 5.867 19.791 1.00 0.00 ATOM 759 O SER 97 17.685 4.941 20.781 1.00 0.00 ATOM 760 C SER 97 17.683 5.831 19.927 1.00 0.00 ATOM 761 N ASP 98 17.032 5.742 18.771 1.00 0.00 ATOM 762 CA ASP 98 16.246 4.558 18.436 1.00 0.00 ATOM 763 CB ASP 98 15.529 4.722 17.094 1.00 0.00 ATOM 764 CG ASP 98 14.357 5.682 17.173 1.00 0.00 ATOM 765 OD1 ASP 98 13.955 6.037 18.299 1.00 0.00 ATOM 766 OD2 ASP 98 13.841 6.077 16.105 1.00 0.00 ATOM 767 O ASP 98 16.747 2.229 18.693 1.00 0.00 ATOM 768 C ASP 98 17.152 3.339 18.349 1.00 0.00 ATOM 769 N LYS 99 18.380 3.539 17.883 1.00 0.00 ATOM 770 CA LYS 99 19.308 2.421 17.770 1.00 0.00 ATOM 771 CB LYS 99 20.618 2.876 17.122 1.00 0.00 ATOM 772 CG LYS 99 20.488 3.252 15.655 1.00 0.00 ATOM 773 CD LYS 99 21.816 3.721 15.085 1.00 0.00 ATOM 774 CE LYS 99 21.695 4.060 13.608 1.00 0.00 ATOM 775 NZ LYS 99 22.984 4.547 13.044 1.00 0.00 ATOM 776 O LYS 99 20.005 0.688 19.267 1.00 0.00 ATOM 777 C LYS 99 19.622 1.850 19.148 1.00 0.00 ATOM 778 N GLU 100 19.418 2.687 20.185 1.00 0.00 ATOM 779 CA GLU 100 19.700 2.264 21.553 1.00 0.00 ATOM 780 CB GLU 100 19.923 3.482 22.455 1.00 0.00 ATOM 781 CG GLU 100 21.169 4.283 22.117 1.00 0.00 ATOM 782 CD GLU 100 21.346 5.492 23.013 1.00 0.00 ATOM 783 OE1 GLU 100 20.520 5.674 23.934 1.00 0.00 ATOM 784 OE2 GLU 100 22.309 6.258 22.799 1.00 0.00 ATOM 785 O GLU 100 18.798 0.749 23.181 1.00 0.00 ATOM 786 C GLU 100 18.580 1.449 22.190 1.00 0.00 ATOM 787 N ILE 101 17.253 1.482 21.691 1.00 0.00 ATOM 788 CA ILE 101 16.122 0.772 22.276 1.00 0.00 ATOM 789 CB ILE 101 15.003 1.743 22.695 1.00 0.00 ATOM 790 CG1 ILE 101 14.460 2.490 21.477 1.00 0.00 ATOM 791 CG2 ILE 101 15.529 2.764 23.693 1.00 0.00 ATOM 792 CD1 ILE 101 13.224 3.315 21.766 1.00 0.00 ATOM 793 O ILE 101 14.882 -1.233 21.875 1.00 0.00 ATOM 794 C ILE 101 15.433 -0.252 21.381 1.00 0.00 ATOM 795 N LYS 102 15.429 -0.006 20.076 1.00 0.00 ATOM 796 CA LYS 102 14.765 -0.904 19.138 1.00 0.00 ATOM 797 CB LYS 102 14.776 -0.308 17.729 1.00 0.00 ATOM 798 CG LYS 102 13.873 0.901 17.560 1.00 0.00 ATOM 799 CD LYS 102 13.937 1.444 16.140 1.00 0.00 ATOM 800 CE LYS 102 13.033 2.654 15.970 1.00 0.00 ATOM 801 NZ LYS 102 13.107 3.214 14.591 1.00 0.00 ATOM 802 O LYS 102 14.835 -3.255 18.714 1.00 0.00 ATOM 803 C LYS 102 15.475 -2.245 19.005 1.00 0.00 ATOM 804 N ASP 103 16.853 -2.287 19.234 1.00 0.00 ATOM 805 CA ASP 103 17.630 -3.523 19.210 1.00 0.00 ATOM 806 CB ASP 103 19.131 -3.377 19.469 1.00 0.00 ATOM 807 CG ASP 103 19.873 -2.800 18.282 1.00 0.00 ATOM 808 OD1 ASP 103 19.281 -2.732 17.185 1.00 0.00 ATOM 809 OD2 ASP 103 21.051 -2.415 18.447 1.00 0.00 ATOM 810 O ASP 103 16.864 -5.657 20.001 1.00 0.00 ATOM 811 C ASP 103 17.065 -4.471 20.264 1.00 0.00 ATOM 812 N MET 104 16.785 -3.932 21.451 1.00 0.00 ATOM 813 CA MET 104 16.237 -4.729 22.543 1.00 0.00 ATOM 814 CB MET 104 16.392 -3.975 23.897 1.00 0.00 ATOM 815 CG MET 104 17.820 -3.919 24.442 1.00 0.00 ATOM 816 SD MET 104 17.998 -3.025 26.023 1.00 0.00 ATOM 817 CE MET 104 17.127 -4.155 27.166 1.00 0.00 ATOM 818 O MET 104 14.381 -6.230 22.490 1.00 0.00 ATOM 819 C MET 104 14.808 -5.117 22.193 1.00 0.00 ATOM 820 N TYR 105 14.057 -4.174 21.584 1.00 0.00 ATOM 821 CA TYR 105 12.668 -4.476 21.255 1.00 0.00 ATOM 822 CB TYR 105 11.997 -3.251 20.631 1.00 0.00 ATOM 823 CG TYR 105 11.785 -2.109 21.598 1.00 0.00 ATOM 824 CD1 TYR 105 11.882 -2.311 22.970 1.00 0.00 ATOM 825 CD2 TYR 105 11.489 -0.833 21.138 1.00 0.00 ATOM 826 CE1 TYR 105 11.691 -1.272 23.861 1.00 0.00 ATOM 827 CE2 TYR 105 11.293 0.218 22.015 1.00 0.00 ATOM 828 CZ TYR 105 11.397 -0.012 23.387 1.00 0.00 ATOM 829 OH TYR 105 11.206 1.022 24.272 1.00 0.00 ATOM 830 O TYR 105 11.806 -6.515 20.322 1.00 0.00 ATOM 831 C TYR 105 12.659 -5.634 20.247 1.00 0.00 ATOM 832 N ARG 106 13.613 -5.633 19.314 1.00 0.00 ATOM 833 CA ARG 106 13.699 -6.701 18.325 1.00 0.00 ATOM 834 CB ARG 106 14.771 -6.377 17.282 1.00 0.00 ATOM 835 CG ARG 106 14.886 -7.409 16.170 1.00 0.00 ATOM 836 CD ARG 106 15.879 -6.967 15.107 1.00 0.00 ATOM 837 NE ARG 106 16.002 -7.948 14.032 1.00 0.00 ATOM 838 CZ ARG 106 16.848 -7.837 13.013 1.00 0.00 ATOM 839 NH1 ARG 106 16.890 -8.779 12.081 1.00 0.00 ATOM 840 NH2 ARG 106 17.649 -6.784 12.928 1.00 0.00 ATOM 841 O ARG 106 13.558 -9.068 18.604 1.00 0.00 ATOM 842 C ARG 106 14.068 -8.020 18.986 1.00 0.00 ATOM 843 N GLN 107 14.973 -7.963 19.973 1.00 0.00 ATOM 844 CA GLN 107 15.395 -9.168 20.675 1.00 0.00 ATOM 845 CB GLN 107 16.447 -8.833 21.736 1.00 0.00 ATOM 846 CG GLN 107 17.793 -8.418 21.165 1.00 0.00 ATOM 847 CD GLN 107 18.772 -7.985 22.238 1.00 0.00 ATOM 848 OE1 GLN 107 18.423 -7.906 23.417 1.00 0.00 ATOM 849 NE2 GLN 107 20.004 -7.703 21.835 1.00 0.00 ATOM 850 O GLN 107 14.006 -11.015 21.362 1.00 0.00 ATOM 851 C GLN 107 14.171 -9.792 21.343 1.00 0.00 ATOM 852 N GLY 108 13.226 -8.900 21.888 1.00 0.00 ATOM 853 CA GLY 108 12.072 -9.415 22.621 1.00 0.00 ATOM 854 O GLY 108 9.904 -10.324 22.143 1.00 0.00 ATOM 855 C GLY 108 10.935 -9.830 21.691 1.00 0.00 ATOM 856 N LYS 109 11.126 -9.618 20.393 1.00 0.00 ATOM 857 CA LYS 109 10.114 -9.987 19.423 1.00 0.00 ATOM 858 CB LYS 109 10.568 -11.702 19.395 1.00 0.00 ATOM 859 CG LYS 109 9.662 -12.290 20.472 1.00 0.00 ATOM 860 CD LYS 109 9.886 -13.783 20.664 1.00 0.00 ATOM 861 CE LYS 109 8.974 -14.321 21.758 1.00 0.00 ATOM 862 NZ LYS 109 9.152 -15.785 21.971 1.00 0.00 ATOM 863 O LYS 109 7.782 -9.562 19.144 1.00 0.00 ATOM 864 C LYS 109 8.875 -9.118 19.492 1.00 0.00 ATOM 865 N ILE 110 9.040 -7.884 19.945 1.00 0.00 ATOM 866 CA ILE 110 7.906 -6.971 20.052 1.00 0.00 ATOM 867 CB ILE 110 8.314 -5.680 20.750 1.00 0.00 ATOM 868 CG1 ILE 110 8.738 -5.887 22.209 1.00 0.00 ATOM 869 CG2 ILE 110 7.093 -4.736 20.694 1.00 0.00 ATOM 870 CD1 ILE 110 7.686 -6.364 23.159 1.00 0.00 ATOM 871 O ILE 110 8.419 -5.702 18.073 1.00 0.00 ATOM 872 C ILE 110 7.586 -6.374 18.683 1.00 0.00 ATOM 873 N SER 111 6.206 -6.328 18.023 1.00 0.00 ATOM 874 CA SER 111 5.861 -5.781 16.715 1.00 0.00 ATOM 875 CB SER 111 4.818 -6.663 16.024 1.00 0.00 ATOM 876 OG SER 111 4.479 -6.146 14.750 1.00 0.00 ATOM 877 O SER 111 4.273 -4.222 17.594 1.00 0.00 ATOM 878 C SER 111 5.300 -4.390 16.939 1.00 0.00 ATOM 879 N PHE 112 6.027 -3.450 16.291 1.00 0.00 ATOM 880 CA PHE 112 5.651 -2.060 16.481 1.00 0.00 ATOM 881 CB PHE 112 6.902 -1.220 16.347 1.00 0.00 ATOM 882 CG PHE 112 7.729 -1.324 17.597 1.00 0.00 ATOM 883 CD1 PHE 112 8.801 -2.210 17.669 1.00 0.00 ATOM 884 CD2 PHE 112 7.404 -0.571 18.721 1.00 0.00 ATOM 885 CE1 PHE 112 9.541 -2.345 18.845 1.00 0.00 ATOM 886 CE2 PHE 112 8.135 -0.698 19.903 1.00 0.00 ATOM 887 CZ PHE 112 9.207 -1.589 19.965 1.00 0.00 ATOM 888 O PHE 112 5.396 -1.461 14.173 1.00 0.00 ATOM 889 C PHE 112 4.954 -1.374 15.321 1.00 0.00 ATOM 890 N TYR 113 3.855 -0.694 15.640 1.00 0.00 ATOM 891 CA TYR 113 3.104 0.084 14.662 1.00 0.00 ATOM 892 CB TYR 113 1.926 -0.055 14.288 1.00 0.00 ATOM 893 CG TYR 113 2.126 -0.845 13.015 1.00 0.00 ATOM 894 CD1 TYR 113 2.980 -0.394 12.020 1.00 0.00 ATOM 895 CD2 TYR 113 1.463 -2.052 12.826 1.00 0.00 ATOM 896 CE1 TYR 113 3.172 -1.134 10.847 1.00 0.00 ATOM 897 CE2 TYR 113 1.638 -2.795 11.689 1.00 0.00 ATOM 898 CZ TYR 113 2.492 -2.336 10.698 1.00 0.00 ATOM 899 OH TYR 113 2.640 -3.108 9.570 1.00 0.00 ATOM 900 O TYR 113 3.196 1.892 16.231 1.00 0.00 ATOM 901 C TYR 113 3.260 1.542 15.051 1.00 0.00 ATOM 902 N GLU 114 3.560 2.415 14.091 1.00 0.00 ATOM 903 CA GLU 114 3.762 3.830 14.367 1.00 0.00 ATOM 904 CB GLU 114 5.178 4.255 13.974 1.00 0.00 ATOM 905 CG GLU 114 6.272 3.620 14.818 1.00 0.00 ATOM 906 CD GLU 114 7.655 4.120 14.451 1.00 0.00 ATOM 907 OE1 GLU 114 7.755 4.984 13.554 1.00 0.00 ATOM 908 OE2 GLU 114 8.639 3.649 15.059 1.00 0.00 ATOM 909 O GLU 114 2.673 4.492 12.336 1.00 0.00 ATOM 910 C GLU 114 2.752 4.626 13.558 1.00 0.00 ATOM 911 N VAL 115 2.100 5.401 14.386 1.00 0.00 ATOM 912 CA VAL 115 1.228 6.402 13.795 1.00 0.00 ATOM 913 CB VAL 115 -0.280 6.448 14.268 1.00 0.00 ATOM 914 CG1 VAL 115 -0.960 7.695 13.680 1.00 0.00 ATOM 915 CG2 VAL 115 -0.836 5.050 14.000 1.00 0.00 ATOM 916 O VAL 115 2.121 7.950 15.393 1.00 0.00 ATOM 917 C VAL 115 1.862 7.721 14.213 1.00 0.00 ATOM 918 N TRP 116 2.106 8.811 13.264 1.00 0.00 ATOM 919 CA TRP 116 2.725 10.091 13.588 1.00 0.00 ATOM 920 CB TRP 116 4.034 10.382 12.870 1.00 0.00 ATOM 921 CG TRP 116 5.113 9.427 13.301 1.00 0.00 ATOM 922 CD1 TRP 116 5.580 8.309 12.571 1.00 0.00 ATOM 923 CD2 TRP 116 5.941 9.518 14.470 1.00 0.00 ATOM 924 CE2 TRP 116 6.882 8.450 14.385 1.00 0.00 ATOM 925 CE3 TRP 116 5.995 10.407 15.577 1.00 0.00 ATOM 926 NE1 TRP 116 6.633 7.752 13.237 1.00 0.00 ATOM 927 CZ2 TRP 116 7.854 8.233 15.337 1.00 0.00 ATOM 928 CZ3 TRP 116 6.993 10.207 16.554 1.00 0.00 ATOM 929 CH2 TRP 116 7.911 9.113 16.412 1.00 0.00 ATOM 930 O TRP 116 0.760 10.890 12.438 1.00 0.00 ATOM 931 C TRP 116 1.684 11.178 13.219 1.00 0.00 TER END