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 try6h-opt2, our best-scoring model from a series that METHOD formed no sheets. REMARK 6 REMARK 6 T0242 model 3 Sun Aug 22 19:46:40 2004 MODEL 3 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 8.566 -5.539 0.356 1.00 0.00 ATOM 2 CA MET 1 8.211 -6.043 1.715 1.00 0.00 ATOM 3 CB MET 1 9.534 -6.559 2.354 1.00 0.00 ATOM 4 CG MET 1 9.260 -7.390 3.606 1.00 0.00 ATOM 5 SD MET 1 10.805 -8.044 4.264 1.00 0.00 ATOM 6 CE MET 1 11.502 -6.566 4.971 1.00 0.00 ATOM 7 O MET 1 6.452 -5.370 3.200 1.00 0.00 ATOM 8 C MET 1 7.487 -5.044 2.619 1.00 0.00 ATOM 9 N GLY 2 7.948 -3.785 2.659 1.00 0.00 ATOM 10 CA GLY 2 7.310 -2.777 3.486 1.00 0.00 ATOM 11 O GLY 2 6.974 -2.194 5.780 1.00 0.00 ATOM 12 C GLY 2 7.558 -2.920 4.976 1.00 0.00 ATOM 13 N LYS 3 8.294 -3.938 5.360 1.00 0.00 ATOM 14 CA LYS 3 8.618 -4.176 6.762 1.00 0.00 ATOM 15 CB LYS 3 9.322 -5.527 6.926 1.00 0.00 ATOM 16 CG LYS 3 8.469 -6.722 6.537 1.00 0.00 ATOM 17 CD LYS 3 9.214 -8.027 6.764 1.00 0.00 ATOM 18 CE LYS 3 8.384 -9.221 6.319 1.00 0.00 ATOM 19 NZ LYS 3 9.099 -10.508 6.535 1.00 0.00 ATOM 20 O LYS 3 10.414 -2.604 6.649 1.00 0.00 ATOM 21 C LYS 3 9.494 -3.063 7.320 1.00 0.00 ATOM 22 N VAL 4 9.219 -2.618 8.540 1.00 0.00 ATOM 23 CA VAL 4 10.013 -1.532 9.129 1.00 0.00 ATOM 24 CB VAL 4 9.106 -0.323 9.439 1.00 0.00 ATOM 25 CG1 VAL 4 9.889 0.732 10.178 1.00 0.00 ATOM 26 CG2 VAL 4 8.555 0.243 8.141 1.00 0.00 ATOM 27 O VAL 4 9.977 -2.628 11.222 1.00 0.00 ATOM 28 C VAL 4 10.660 -2.056 10.376 1.00 0.00 ATOM 29 N PHE 5 12.101 -1.172 10.493 1.00 0.00 ATOM 30 CA PHE 5 12.899 -1.813 11.520 1.00 0.00 ATOM 31 CB PHE 5 13.844 -2.843 10.895 1.00 0.00 ATOM 32 CG PHE 5 13.138 -3.988 10.228 1.00 0.00 ATOM 33 CD1 PHE 5 12.846 -3.946 8.876 1.00 0.00 ATOM 34 CD2 PHE 5 12.767 -5.107 10.952 1.00 0.00 ATOM 35 CE1 PHE 5 12.196 -5.000 8.262 1.00 0.00 ATOM 36 CE2 PHE 5 12.117 -6.162 10.337 1.00 0.00 ATOM 37 CZ PHE 5 11.831 -6.110 8.998 1.00 0.00 ATOM 38 O PHE 5 14.119 0.253 11.644 1.00 0.00 ATOM 39 C PHE 5 13.713 -0.760 12.241 1.00 0.00 ATOM 40 N LEU 6 13.995 -1.007 13.505 1.00 0.00 ATOM 41 CA LEU 6 14.824 -0.106 14.283 1.00 0.00 ATOM 42 CB LEU 6 14.492 -0.160 15.778 1.00 0.00 ATOM 43 CG LEU 6 15.486 0.636 16.649 1.00 0.00 ATOM 44 CD1 LEU 6 15.337 2.134 16.396 1.00 0.00 ATOM 45 CD2 LEU 6 15.278 0.310 18.125 1.00 0.00 ATOM 46 O LEU 6 16.311 -1.917 14.173 1.00 0.00 ATOM 47 C LEU 6 16.178 -0.704 14.181 1.00 0.00 ATOM 48 N THR 7 17.343 0.054 13.971 1.00 0.00 ATOM 49 CA THR 7 18.642 -0.540 13.870 1.00 0.00 ATOM 50 CB THR 7 19.464 0.092 12.730 1.00 0.00 ATOM 51 CG2 THR 7 18.809 -0.185 11.385 1.00 0.00 ATOM 52 OG1 THR 7 19.545 1.509 12.924 1.00 0.00 ATOM 53 O THR 7 20.627 -0.212 15.113 1.00 0.00 ATOM 54 C THR 7 19.419 -0.360 15.142 1.00 0.00 ATOM 55 N ASN 8 18.779 -0.373 16.421 1.00 0.00 ATOM 56 CA ASN 8 19.540 -0.223 17.651 1.00 0.00 ATOM 57 CB ASN 8 18.635 -0.183 18.872 1.00 0.00 ATOM 58 CG ASN 8 18.069 1.208 19.118 1.00 0.00 ATOM 59 ND2 ASN 8 16.833 1.268 19.596 1.00 0.00 ATOM 60 OD1 ASN 8 18.744 2.215 18.892 1.00 0.00 ATOM 61 O ASN 8 21.625 -1.196 18.270 1.00 0.00 ATOM 62 C ASN 8 20.487 -1.400 17.832 1.00 0.00 ATOM 63 N ALA 9 20.064 -2.610 17.483 1.00 0.00 ATOM 64 CA ALA 9 20.935 -3.756 17.622 1.00 0.00 ATOM 65 CB ALA 9 20.840 -4.327 19.029 1.00 0.00 ATOM 66 O ALA 9 19.384 -5.052 16.298 1.00 0.00 ATOM 67 C ALA 9 20.566 -4.852 16.646 1.00 0.00 ATOM 68 N PHE 10 21.586 -5.556 16.167 1.00 0.00 ATOM 69 CA PHE 10 21.361 -6.703 15.300 1.00 0.00 ATOM 70 CB PHE 10 22.673 -7.159 14.663 1.00 0.00 ATOM 71 CG PHE 10 23.181 -6.237 13.592 1.00 0.00 ATOM 72 CD1 PHE 10 24.204 -5.343 13.856 1.00 0.00 ATOM 73 CD2 PHE 10 22.634 -6.261 12.321 1.00 0.00 ATOM 74 CE1 PHE 10 24.670 -4.494 12.870 1.00 0.00 ATOM 75 CE2 PHE 10 23.100 -5.411 11.335 1.00 0.00 ATOM 76 CZ PHE 10 24.115 -4.530 11.605 1.00 0.00 ATOM 77 O PHE 10 19.796 -8.506 15.564 1.00 0.00 ATOM 78 C PHE 10 20.594 -7.742 16.112 1.00 0.00 ATOM 79 N SER 11 20.774 -7.778 17.660 1.00 0.00 ATOM 80 CA SER 11 19.976 -8.911 18.180 1.00 0.00 ATOM 81 CB SER 11 20.193 -9.203 19.667 1.00 0.00 ATOM 82 OG SER 11 21.516 -9.648 19.911 1.00 0.00 ATOM 83 O SER 11 17.747 -9.262 17.328 1.00 0.00 ATOM 84 C SER 11 18.521 -8.503 17.917 1.00 0.00 ATOM 85 N ILE 12 18.180 -7.272 18.289 1.00 0.00 ATOM 86 CA ILE 12 16.836 -6.739 18.061 1.00 0.00 ATOM 87 CB ILE 12 16.676 -5.332 18.669 1.00 0.00 ATOM 88 CG1 ILE 12 16.757 -5.398 20.195 1.00 0.00 ATOM 89 CG2 ILE 12 15.333 -4.733 18.281 1.00 0.00 ATOM 90 CD1 ILE 12 16.851 -4.044 20.859 1.00 0.00 ATOM 91 O ILE 12 15.287 -6.893 16.227 1.00 0.00 ATOM 92 C ILE 12 16.451 -6.675 16.578 1.00 0.00 ATOM 93 N ASN 13 17.408 -6.535 15.543 1.00 0.00 ATOM 94 CA ASN 13 17.091 -6.564 14.106 1.00 0.00 ATOM 95 CB ASN 13 18.318 -6.210 13.263 1.00 0.00 ATOM 96 CG ASN 13 18.659 -4.734 13.321 1.00 0.00 ATOM 97 ND2 ASN 13 19.897 -4.400 12.978 1.00 0.00 ATOM 98 OD1 ASN 13 17.817 -3.906 13.671 1.00 0.00 ATOM 99 O ASN 13 15.560 -8.058 13.021 1.00 0.00 ATOM 100 C ASN 13 16.567 -7.936 13.718 1.00 0.00 ATOM 101 N MET 14 17.263 -9.023 14.153 1.00 0.00 ATOM 102 CA MET 14 16.853 -10.381 13.851 1.00 0.00 ATOM 103 CB MET 14 17.882 -11.383 14.377 1.00 0.00 ATOM 104 CG MET 14 19.193 -11.390 13.608 1.00 0.00 ATOM 105 SD MET 14 18.979 -11.824 11.871 1.00 0.00 ATOM 106 CE MET 14 18.515 -13.548 12.008 1.00 0.00 ATOM 107 O MET 14 14.638 -11.335 13.982 1.00 0.00 ATOM 108 C MET 14 15.507 -10.652 14.541 1.00 0.00 ATOM 109 N LEU 15 15.321 -10.131 15.769 1.00 0.00 ATOM 110 CA LEU 15 14.071 -10.313 16.508 1.00 0.00 ATOM 111 CB LEU 15 14.163 -9.661 17.888 1.00 0.00 ATOM 112 CG LEU 15 15.105 -10.331 18.893 1.00 0.00 ATOM 113 CD1 LEU 15 15.239 -9.485 20.150 1.00 0.00 ATOM 114 CD2 LEU 15 14.577 -11.700 19.295 1.00 0.00 ATOM 115 O LEU 15 11.731 -10.236 15.789 1.00 0.00 ATOM 116 C LEU 15 12.871 -9.698 15.798 1.00 0.00 ATOM 117 N LYS 16 13.084 -8.548 15.216 1.00 0.00 ATOM 118 CA LYS 16 12.011 -7.720 14.635 1.00 0.00 ATOM 119 CB LYS 16 12.590 -6.440 14.032 1.00 0.00 ATOM 120 CG LYS 16 13.111 -5.449 15.060 1.00 0.00 ATOM 121 CD LYS 16 13.679 -4.207 14.391 1.00 0.00 ATOM 122 CE LYS 16 14.326 -3.280 15.407 1.00 0.00 ATOM 123 NZ LYS 16 13.335 -2.749 16.383 1.00 0.00 ATOM 124 O LYS 16 10.130 -8.250 13.327 1.00 0.00 ATOM 125 C LYS 16 11.322 -8.532 13.552 1.00 0.00 ATOM 126 N GLU 17 12.016 -9.506 12.969 1.00 0.00 ATOM 127 CA GLU 17 11.345 -10.318 11.929 1.00 0.00 ATOM 128 CB GLU 17 12.239 -11.481 11.496 1.00 0.00 ATOM 129 CG GLU 17 11.650 -12.336 10.385 1.00 0.00 ATOM 130 CD GLU 17 12.591 -13.439 9.940 1.00 0.00 ATOM 131 OE1 GLU 17 13.712 -13.519 10.483 1.00 0.00 ATOM 132 OE2 GLU 17 12.206 -14.222 9.046 1.00 0.00 ATOM 133 O GLU 17 9.076 -11.212 11.690 1.00 0.00 ATOM 134 C GLU 17 10.026 -10.903 12.439 1.00 0.00 ATOM 135 N PHE 18 9.871 -10.944 13.830 1.00 0.00 ATOM 136 CA PHE 18 8.704 -11.661 14.360 1.00 0.00 ATOM 137 CB PHE 18 9.156 -12.891 15.141 1.00 0.00 ATOM 138 CG PHE 18 9.928 -13.871 14.300 1.00 0.00 ATOM 139 CD1 PHE 18 9.416 -14.312 13.080 1.00 0.00 ATOM 140 CD2 PHE 18 11.162 -14.354 14.721 1.00 0.00 ATOM 141 CE1 PHE 18 10.122 -15.216 12.296 1.00 0.00 ATOM 142 CE2 PHE 18 11.876 -15.262 13.942 1.00 0.00 ATOM 143 CZ PHE 18 11.354 -15.692 12.727 1.00 0.00 ATOM 144 O PHE 18 6.646 -11.365 15.641 1.00 0.00 ATOM 145 C PHE 18 7.592 -10.831 15.001 1.00 0.00 ATOM 146 N PRO 19 7.690 -9.528 14.816 1.00 0.00 ATOM 147 CA PRO 19 6.683 -8.610 15.352 1.00 0.00 ATOM 148 CB PRO 19 7.297 -7.225 15.147 1.00 0.00 ATOM 149 CG PRO 19 8.283 -7.413 14.043 1.00 0.00 ATOM 150 CD PRO 19 8.828 -8.803 14.204 1.00 0.00 ATOM 151 O PRO 19 4.266 -8.507 15.191 1.00 0.00 ATOM 152 C PRO 19 5.342 -8.734 14.610 1.00 0.00 ATOM 153 N THR 20 5.428 -9.089 13.326 1.00 0.00 ATOM 154 CA THR 20 4.266 -9.234 12.456 1.00 0.00 ATOM 155 CB THR 20 4.188 -8.099 11.414 1.00 0.00 ATOM 156 CG2 THR 20 4.092 -6.741 12.102 1.00 0.00 ATOM 157 OG1 THR 20 5.346 -8.115 10.566 1.00 0.00 ATOM 158 O THR 20 5.405 -11.030 11.298 1.00 0.00 ATOM 159 C THR 20 4.326 -10.495 11.603 1.00 0.00 ATOM 160 N THR 21 2.798 -10.691 11.635 1.00 0.00 ATOM 161 CA THR 21 2.662 -11.864 10.784 1.00 0.00 ATOM 162 CB THR 21 1.566 -12.804 11.321 1.00 0.00 ATOM 163 CG2 THR 21 1.390 -13.998 10.396 1.00 0.00 ATOM 164 OG1 THR 21 1.932 -13.277 12.623 1.00 0.00 ATOM 165 O THR 21 1.469 -10.484 9.250 1.00 0.00 ATOM 166 C THR 21 2.327 -11.363 9.398 1.00 0.00 ATOM 167 N ILE 22 3.066 -11.823 8.385 1.00 0.00 ATOM 168 CA ILE 22 2.822 -11.460 7.014 1.00 0.00 ATOM 169 CB ILE 22 3.625 -10.163 6.622 1.00 0.00 ATOM 170 CG1 ILE 22 3.245 -9.691 5.209 1.00 0.00 ATOM 171 CG2 ILE 22 5.117 -10.406 6.750 1.00 0.00 ATOM 172 CD1 ILE 22 3.855 -8.353 4.820 1.00 0.00 ATOM 173 O ILE 22 4.163 -13.315 6.260 1.00 0.00 ATOM 174 C ILE 22 3.146 -12.642 6.091 1.00 0.00 ATOM 175 N THR 23 2.251 -12.917 5.150 1.00 0.00 ATOM 176 CA THR 23 2.463 -13.996 4.196 1.00 0.00 ATOM 177 CB THR 23 1.151 -14.716 3.860 1.00 0.00 ATOM 178 CG2 THR 23 1.400 -15.791 2.828 1.00 0.00 ATOM 179 OG1 THR 23 0.660 -15.316 5.086 1.00 0.00 ATOM 180 O THR 23 2.499 -12.397 2.401 1.00 0.00 ATOM 181 C THR 23 3.075 -13.334 2.973 1.00 0.00 ATOM 182 N ILE 24 4.274 -13.780 2.615 1.00 0.00 ATOM 183 CA ILE 24 5.097 -13.237 1.536 1.00 0.00 ATOM 184 CB ILE 24 6.465 -12.757 2.041 1.00 0.00 ATOM 185 CG1 ILE 24 6.219 -11.703 3.116 1.00 0.00 ATOM 186 CG2 ILE 24 7.287 -12.257 0.843 1.00 0.00 ATOM 187 CD1 ILE 24 7.499 -11.121 3.661 1.00 0.00 ATOM 188 O ILE 24 5.667 -15.458 0.787 1.00 0.00 ATOM 189 C ILE 24 5.445 -14.284 0.479 1.00 0.00 ATOM 190 N ASP 25 5.464 -13.832 -0.783 1.00 0.00 ATOM 191 CA ASP 25 5.780 -14.725 -1.900 1.00 0.00 ATOM 192 CB ASP 25 4.568 -15.476 -2.457 1.00 0.00 ATOM 193 CG ASP 25 4.953 -16.757 -3.171 1.00 0.00 ATOM 194 OD1 ASP 25 6.167 -17.006 -3.329 1.00 0.00 ATOM 195 OD2 ASP 25 4.042 -17.511 -3.571 1.00 0.00 ATOM 196 O ASP 25 6.492 -12.668 -2.974 1.00 0.00 ATOM 197 C ASP 25 6.409 -13.909 -3.016 1.00 0.00 ATOM 198 N LYS 26 6.870 -14.580 -4.076 1.00 0.00 ATOM 199 CA LYS 26 7.541 -13.853 -5.145 1.00 0.00 ATOM 200 CB LYS 26 8.051 -14.821 -6.213 1.00 0.00 ATOM 201 CG LYS 26 9.221 -15.680 -5.763 1.00 0.00 ATOM 202 CD LYS 26 9.679 -16.615 -6.870 1.00 0.00 ATOM 203 CE LYS 26 10.834 -17.491 -6.412 1.00 0.00 ATOM 204 NZ LYS 26 11.271 -18.435 -7.476 1.00 0.00 ATOM 205 O LYS 26 6.983 -11.694 -6.049 1.00 0.00 ATOM 206 C LYS 26 6.596 -12.838 -5.789 1.00 0.00 ATOM 207 N LEU 27 5.405 -13.293 -5.883 1.00 0.00 ATOM 208 CA LEU 27 4.345 -12.438 -6.392 1.00 0.00 ATOM 209 CB LEU 27 3.078 -13.243 -6.687 1.00 0.00 ATOM 210 CG LEU 27 3.149 -14.207 -7.873 1.00 0.00 ATOM 211 CD1 LEU 27 1.896 -15.068 -7.941 1.00 0.00 ATOM 212 CD2 LEU 27 3.273 -13.442 -9.182 1.00 0.00 ATOM 213 O LEU 27 3.764 -10.180 -5.856 1.00 0.00 ATOM 214 C LEU 27 4.019 -11.307 -5.427 1.00 0.00 ATOM 215 N ASP 28 4.022 -11.555 -4.032 1.00 0.00 ATOM 216 CA ASP 28 3.760 -10.526 -3.012 1.00 0.00 ATOM 217 CB ASP 28 3.742 -11.026 -1.566 1.00 0.00 ATOM 218 CG ASP 28 2.534 -11.889 -1.262 1.00 0.00 ATOM 219 OD1 ASP 28 1.594 -11.908 -2.086 1.00 0.00 ATOM 220 OD2 ASP 28 2.525 -12.546 -0.201 1.00 0.00 ATOM 221 O ASP 28 4.414 -8.222 -3.165 1.00 0.00 ATOM 222 C ASP 28 4.776 -9.405 -3.107 1.00 0.00 ATOM 223 N GLU 29 6.078 -9.778 -3.189 1.00 0.00 ATOM 224 CA GLU 29 7.146 -8.802 -3.300 1.00 0.00 ATOM 225 CB GLU 29 8.503 -9.502 -3.390 1.00 0.00 ATOM 226 CG GLU 29 9.688 -8.551 -3.464 1.00 0.00 ATOM 227 CD GLU 29 11.017 -9.280 -3.518 1.00 0.00 ATOM 228 OE1 GLU 29 11.012 -10.528 -3.485 1.00 0.00 ATOM 229 OE2 GLU 29 12.063 -8.600 -3.595 1.00 0.00 ATOM 230 O GLU 29 7.142 -6.697 -4.530 1.00 0.00 ATOM 231 C GLU 29 6.982 -7.934 -4.541 1.00 0.00 ATOM 232 N GLU 30 6.557 -8.749 -5.568 1.00 0.00 ATOM 233 CA GLU 30 6.370 -8.021 -6.845 1.00 0.00 ATOM 234 CB GLU 30 6.067 -9.000 -7.980 1.00 0.00 ATOM 235 CG GLU 30 7.254 -9.858 -8.393 1.00 0.00 ATOM 236 CD GLU 30 6.887 -10.900 -9.433 1.00 0.00 ATOM 237 OE1 GLU 30 5.690 -11.000 -9.775 1.00 0.00 ATOM 238 OE2 GLU 30 7.797 -11.614 -9.903 1.00 0.00 ATOM 239 O GLU 30 5.309 -5.920 -7.230 1.00 0.00 ATOM 240 C GLU 30 5.233 -7.037 -6.727 1.00 0.00 ATOM 241 N ASP 31 4.137 -7.447 -6.087 1.00 0.00 ATOM 242 CA ASP 31 2.953 -6.606 -5.981 1.00 0.00 ATOM 243 CB ASP 31 1.823 -7.364 -5.281 1.00 0.00 ATOM 244 CG ASP 31 1.181 -8.409 -6.172 1.00 0.00 ATOM 245 OD1 ASP 31 1.440 -8.387 -7.394 1.00 0.00 ATOM 246 OD2 ASP 31 0.418 -9.248 -5.649 1.00 0.00 ATOM 247 O ASP 31 2.785 -4.253 -5.511 1.00 0.00 ATOM 248 C ASP 31 3.221 -5.345 -5.157 1.00 0.00 ATOM 249 N PHE 32 3.942 -5.498 -4.036 1.00 0.00 ATOM 250 CA PHE 32 4.292 -4.375 -3.180 1.00 0.00 ATOM 251 CB PHE 32 5.058 -4.813 -1.930 1.00 0.00 ATOM 252 CG PHE 32 4.178 -5.339 -0.832 1.00 0.00 ATOM 253 CD1 PHE 32 4.020 -6.701 -0.645 1.00 0.00 ATOM 254 CD2 PHE 32 3.511 -4.472 0.015 1.00 0.00 ATOM 255 CE1 PHE 32 3.211 -7.186 0.366 1.00 0.00 ATOM 256 CE2 PHE 32 2.701 -4.956 1.025 1.00 0.00 ATOM 257 CZ PHE 32 2.550 -6.306 1.203 1.00 0.00 ATOM 258 O PHE 32 4.966 -2.194 -3.981 1.00 0.00 ATOM 259 C PHE 32 5.183 -3.402 -3.974 1.00 0.00 ATOM 260 N CYS 33 6.181 -3.920 -4.681 1.00 0.00 ATOM 261 CA CYS 33 7.013 -3.060 -5.478 1.00 0.00 ATOM 262 CB CYS 33 8.079 -3.876 -6.211 1.00 0.00 ATOM 263 SG CYS 33 9.348 -4.585 -5.135 1.00 0.00 ATOM 264 O CYS 33 6.403 -1.120 -6.776 1.00 0.00 ATOM 265 C CYS 33 6.196 -2.311 -6.517 1.00 0.00 ATOM 266 N LEU 34 5.202 -2.998 -7.120 1.00 0.00 ATOM 267 CA LEU 34 4.350 -2.342 -8.127 1.00 0.00 ATOM 268 CB LEU 34 3.386 -3.352 -8.753 1.00 0.00 ATOM 269 CG LEU 34 4.011 -4.413 -9.661 1.00 0.00 ATOM 270 CD1 LEU 34 2.977 -5.452 -10.066 1.00 0.00 ATOM 271 CD2 LEU 34 4.568 -3.780 -10.927 1.00 0.00 ATOM 272 O LEU 34 3.295 -0.167 -8.154 1.00 0.00 ATOM 273 C LEU 34 3.509 -1.215 -7.534 1.00 0.00 ATOM 274 N LYS 35 2.978 -1.537 -6.414 1.00 0.00 ATOM 275 CA LYS 35 2.141 -0.570 -5.780 1.00 0.00 ATOM 276 CB LYS 35 1.649 -1.091 -4.428 1.00 0.00 ATOM 277 CG LYS 35 0.651 -2.234 -4.530 1.00 0.00 ATOM 278 CD LYS 35 0.215 -2.708 -3.153 1.00 0.00 ATOM 279 CE LYS 35 -0.745 -3.882 -3.253 1.00 0.00 ATOM 280 NZ LYS 35 -1.170 -4.369 -1.912 1.00 0.00 ATOM 281 O LYS 35 2.357 1.807 -5.764 1.00 0.00 ATOM 282 C LYS 35 2.892 0.723 -5.542 1.00 0.00 ATOM 283 N LEU 36 4.098 0.597 -4.974 1.00 0.00 ATOM 284 CA LEU 36 4.893 1.807 -4.745 1.00 0.00 ATOM 285 CB LEU 36 6.185 1.428 -3.910 1.00 0.00 ATOM 286 CG LEU 36 5.935 0.798 -2.539 1.00 0.00 ATOM 287 CD1 LEU 36 7.286 0.467 -1.898 1.00 0.00 ATOM 288 CD2 LEU 36 5.107 1.697 -1.626 1.00 0.00 ATOM 289 O LEU 36 5.233 3.765 -6.007 1.00 0.00 ATOM 290 C LEU 36 5.257 2.553 -6.014 1.00 0.00 ATOM 291 N GLU 37 5.517 1.825 -7.101 1.00 0.00 ATOM 292 CA GLU 37 5.771 2.449 -8.388 1.00 0.00 ATOM 293 CB GLU 37 6.235 1.432 -9.431 1.00 0.00 ATOM 294 CG GLU 37 7.625 0.869 -9.176 1.00 0.00 ATOM 295 CD GLU 37 8.001 -0.224 -10.156 1.00 0.00 ATOM 296 OE1 GLU 37 7.147 -0.593 -10.991 1.00 0.00 ATOM 297 OE2 GLU 37 9.148 -0.714 -10.090 1.00 0.00 ATOM 298 O GLU 37 4.637 4.309 -9.406 1.00 0.00 ATOM 299 C GLU 37 4.538 3.189 -8.897 1.00 0.00 ATOM 300 N LEU 38 3.361 2.538 -8.758 1.00 0.00 ATOM 301 CA LEU 38 2.105 3.140 -9.200 1.00 0.00 ATOM 302 CB LEU 38 0.937 2.191 -9.035 1.00 0.00 ATOM 303 CG LEU 38 0.926 1.020 -10.027 1.00 0.00 ATOM 304 CD1 LEU 38 -0.143 0.006 -9.648 1.00 0.00 ATOM 305 CD2 LEU 38 0.678 1.558 -11.427 1.00 0.00 ATOM 306 O LEU 38 1.404 5.478 -8.937 1.00 0.00 ATOM 307 C LEU 38 1.872 4.452 -8.430 1.00 0.00 ATOM 308 N ARG 39 2.358 4.929 -7.155 1.00 0.00 ATOM 309 CA ARG 39 2.110 6.155 -6.393 1.00 0.00 ATOM 310 CB ARG 39 1.569 7.223 -7.491 1.00 0.00 ATOM 311 CG ARG 39 0.236 6.828 -8.115 1.00 0.00 ATOM 312 CD ARG 39 -0.951 7.143 -7.220 1.00 0.00 ATOM 313 NE ARG 39 -2.140 6.394 -7.626 1.00 0.00 ATOM 314 CZ ARG 39 -3.346 6.548 -7.090 1.00 0.00 ATOM 315 NH1 ARG 39 -3.539 7.435 -6.119 1.00 0.00 ATOM 316 NH2 ARG 39 -4.360 5.806 -7.518 1.00 0.00 ATOM 317 O ARG 39 1.440 6.938 -4.257 1.00 0.00 ATOM 318 C ARG 39 1.639 5.957 -4.987 1.00 0.00 ATOM 319 N LEU 40 1.390 4.712 -4.585 1.00 0.00 ATOM 320 CA LEU 40 0.968 4.474 -3.236 1.00 0.00 ATOM 321 CB LEU 40 0.576 3.008 -3.049 1.00 0.00 ATOM 322 CG LEU 40 -0.656 2.531 -3.820 1.00 0.00 ATOM 323 CD1 LEU 40 -0.854 1.033 -3.645 1.00 0.00 ATOM 324 CD2 LEU 40 -1.907 3.238 -3.323 1.00 0.00 ATOM 325 O LEU 40 3.290 4.804 -2.829 1.00 0.00 ATOM 326 C LEU 40 2.146 4.963 -2.417 1.00 0.00 ATOM 327 N GLU 41 1.856 5.589 -1.277 1.00 0.00 ATOM 328 CA GLU 41 2.874 5.987 -0.320 1.00 0.00 ATOM 329 CB GLU 41 2.446 7.085 0.655 1.00 0.00 ATOM 330 CG GLU 41 2.170 8.427 -0.006 1.00 0.00 ATOM 331 CD GLU 41 1.801 9.505 0.996 1.00 0.00 ATOM 332 OE1 GLU 41 1.728 9.194 2.202 1.00 0.00 ATOM 333 OE2 GLU 41 1.586 10.660 0.573 1.00 0.00 ATOM 334 O GLU 41 2.621 3.923 0.841 1.00 0.00 ATOM 335 C GLU 41 3.370 4.818 0.513 1.00 0.00 ATOM 336 N ASP 42 4.619 4.946 1.024 1.00 0.00 ATOM 337 CA ASP 42 5.141 4.000 1.977 1.00 0.00 ATOM 338 CB ASP 42 6.588 4.345 2.339 1.00 0.00 ATOM 339 CG ASP 42 7.558 4.034 1.215 1.00 0.00 ATOM 340 OD1 ASP 42 7.157 3.340 0.258 1.00 0.00 ATOM 341 OD2 ASP 42 8.721 4.487 1.293 1.00 0.00 ATOM 342 O ASP 42 4.152 2.924 3.900 1.00 0.00 ATOM 343 C ASP 42 4.329 3.979 3.283 1.00 0.00 ATOM 344 N GLY 43 3.867 5.156 3.648 1.00 0.00 ATOM 345 CA GLY 43 3.096 5.277 4.876 1.00 0.00 ATOM 346 O GLY 43 1.290 3.776 5.579 1.00 0.00 ATOM 347 C GLY 43 1.752 4.510 4.716 1.00 0.00 ATOM 348 N THR 44 1.036 4.675 3.502 1.00 0.00 ATOM 349 CA THR 44 -0.245 3.977 3.255 1.00 0.00 ATOM 350 CB THR 44 -0.522 3.897 1.638 1.00 0.00 ATOM 351 CG2 THR 44 -2.011 3.833 1.223 1.00 0.00 ATOM 352 OG1 THR 44 0.131 4.942 0.907 1.00 0.00 ATOM 353 O THR 44 -0.906 1.696 3.683 1.00 0.00 ATOM 354 C THR 44 -0.064 2.459 3.190 1.00 0.00 ATOM 355 N LEU 45 1.066 2.043 2.635 1.00 0.00 ATOM 356 CA LEU 45 1.397 0.629 2.552 1.00 0.00 ATOM 357 CB LEU 45 2.662 0.377 1.728 1.00 0.00 ATOM 358 CG LEU 45 3.087 -1.084 1.568 1.00 0.00 ATOM 359 CD1 LEU 45 2.002 -1.887 0.868 1.00 0.00 ATOM 360 CD2 LEU 45 4.360 -1.185 0.741 1.00 0.00 ATOM 361 O LEU 45 1.142 -0.996 4.331 1.00 0.00 ATOM 362 C LEU 45 1.630 0.076 3.976 1.00 0.00 ATOM 363 N ILE 46 2.345 0.785 4.781 1.00 0.00 ATOM 364 CA ILE 46 2.571 0.333 6.140 1.00 0.00 ATOM 365 CB ILE 46 3.552 1.239 6.909 1.00 0.00 ATOM 366 CG1 ILE 46 4.916 1.213 6.193 1.00 0.00 ATOM 367 CG2 ILE 46 3.698 0.842 8.370 1.00 0.00 ATOM 368 CD1 ILE 46 5.890 2.284 6.637 1.00 0.00 ATOM 369 O ILE 46 1.021 -0.815 7.618 1.00 0.00 ATOM 370 C ILE 46 1.250 0.151 6.863 1.00 0.00 ATOM 371 N ASN 47 0.328 1.212 6.600 1.00 0.00 ATOM 372 CA ASN 47 -0.925 1.184 7.344 1.00 0.00 ATOM 373 CB ASN 47 -1.702 2.478 7.092 1.00 0.00 ATOM 374 CG ASN 47 -1.070 3.689 7.740 1.00 0.00 ATOM 375 ND2 ASN 47 -1.616 4.875 7.447 1.00 0.00 ATOM 376 OD1 ASN 47 -0.112 3.561 8.478 1.00 0.00 ATOM 377 O ASN 47 -2.398 -0.629 7.857 1.00 0.00 ATOM 378 C ASN 47 -1.764 -0.025 6.982 1.00 0.00 ATOM 379 N ALA 48 -1.784 -0.359 5.697 1.00 0.00 ATOM 380 CA ALA 48 -2.584 -1.493 5.255 1.00 0.00 ATOM 381 CB ALA 48 -2.649 -1.625 3.793 1.00 0.00 ATOM 382 O ALA 48 -2.731 -3.715 6.194 1.00 0.00 ATOM 383 C ALA 48 -2.008 -2.811 5.784 1.00 0.00 ATOM 384 N ILE 49 -0.692 -2.955 5.720 1.00 0.00 ATOM 385 CA ILE 49 -0.026 -4.173 6.199 1.00 0.00 ATOM 386 CB ILE 49 1.462 -4.215 5.904 1.00 0.00 ATOM 387 CG1 ILE 49 1.723 -4.277 4.412 1.00 0.00 ATOM 388 CG2 ILE 49 2.134 -5.389 6.634 1.00 0.00 ATOM 389 CD1 ILE 49 3.187 -3.989 4.025 1.00 0.00 ATOM 390 O ILE 49 -0.717 -5.416 8.134 1.00 0.00 ATOM 391 C ILE 49 -0.356 -4.339 7.680 1.00 0.00 ATOM 392 N GLY 50 0.487 -2.698 8.496 1.00 0.00 ATOM 393 CA GLY 50 0.655 -2.501 9.928 1.00 0.00 ATOM 394 O GLY 50 2.118 -2.851 11.798 1.00 0.00 ATOM 395 C GLY 50 2.026 -2.680 10.569 1.00 0.00 ATOM 396 N HIS 51 3.057 -2.664 9.763 1.00 0.00 ATOM 397 CA HIS 51 4.443 -2.826 10.300 1.00 0.00 ATOM 398 CB HIS 51 5.464 -2.798 9.160 1.00 0.00 ATOM 399 CG HIS 51 5.448 -4.025 8.304 1.00 0.00 ATOM 400 CD2 HIS 51 5.149 -4.312 6.908 1.00 0.00 ATOM 401 ND1 HIS 51 5.765 -5.275 8.786 1.00 0.00 ATOM 402 CE1 HIS 51 5.661 -6.172 7.788 1.00 0.00 ATOM 403 NE2 HIS 51 5.291 -5.600 6.659 1.00 0.00 ATOM 404 O HIS 51 5.378 -1.964 12.361 1.00 0.00 ATOM 405 C HIS 51 4.754 -1.676 11.280 1.00 0.00 ATOM 406 N ASP 52 4.410 -0.467 11.002 1.00 0.00 ATOM 407 CA ASP 52 4.704 0.664 11.860 1.00 0.00 ATOM 408 CB ASP 52 4.167 1.957 11.244 1.00 0.00 ATOM 409 CG ASP 52 4.979 2.415 10.049 1.00 0.00 ATOM 410 OD1 ASP 52 6.085 1.875 9.840 1.00 0.00 ATOM 411 OD2 ASP 52 4.509 3.316 9.322 1.00 0.00 ATOM 412 O ASP 52 4.664 0.779 14.279 1.00 0.00 ATOM 413 C ASP 52 4.053 0.492 13.235 1.00 0.00 ATOM 414 N SER 53 2.798 0.041 13.284 1.00 0.00 ATOM 415 CA SER 53 2.104 -0.112 14.559 1.00 0.00 ATOM 416 CB SER 53 0.627 -0.435 14.328 1.00 0.00 ATOM 417 OG SER 53 -0.045 0.659 13.726 1.00 0.00 ATOM 418 O SER 53 2.910 -1.061 16.639 1.00 0.00 ATOM 419 C SER 53 2.726 -1.224 15.416 1.00 0.00 ATOM 420 N THR 54 3.017 -2.338 14.792 1.00 0.00 ATOM 421 CA THR 54 3.655 -3.461 15.489 1.00 0.00 ATOM 422 CB THR 54 3.865 -4.666 14.553 1.00 0.00 ATOM 423 CG2 THR 54 4.561 -5.800 15.295 1.00 0.00 ATOM 424 OG1 THR 54 2.598 -5.134 14.077 1.00 0.00 ATOM 425 O THR 54 5.307 -3.351 17.228 1.00 0.00 ATOM 426 C THR 54 5.028 -3.000 16.025 1.00 0.00 ATOM 427 N ILE 55 5.695 -2.197 15.313 1.00 0.00 ATOM 428 CA ILE 55 7.007 -1.693 15.723 1.00 0.00 ATOM 429 CB ILE 55 7.699 -0.924 14.582 1.00 0.00 ATOM 430 CG1 ILE 55 7.987 -1.861 13.406 1.00 0.00 ATOM 431 CG2 ILE 55 9.015 -0.332 15.060 1.00 0.00 ATOM 432 CD1 ILE 55 8.926 -2.995 13.746 1.00 0.00 ATOM 433 O ILE 55 7.642 -0.819 17.870 1.00 0.00 ATOM 434 C ILE 55 6.880 -0.741 16.909 1.00 0.00 ATOM 435 N ASN 56 5.880 0.136 16.869 1.00 0.00 ATOM 436 CA ASN 56 5.651 1.083 17.952 1.00 0.00 ATOM 437 CB ASN 56 4.479 2.020 17.653 1.00 0.00 ATOM 438 CG ASN 56 4.833 3.094 16.644 1.00 0.00 ATOM 439 ND2 ASN 56 3.817 3.688 16.030 1.00 0.00 ATOM 440 OD1 ASN 56 6.009 3.385 16.421 1.00 0.00 ATOM 441 O ASN 56 5.734 0.713 20.346 1.00 0.00 ATOM 442 C ASN 56 5.318 0.347 19.220 1.00 0.00 ATOM 443 N LEU 57 4.399 -0.611 19.076 1.00 0.00 ATOM 444 CA LEU 57 4.014 -1.426 20.219 1.00 0.00 ATOM 445 CB LEU 57 2.997 -2.490 19.798 1.00 0.00 ATOM 446 CG LEU 57 2.513 -3.436 20.899 1.00 0.00 ATOM 447 CD1 LEU 57 1.800 -2.663 21.997 1.00 0.00 ATOM 448 CD2 LEU 57 1.543 -4.464 20.335 1.00 0.00 ATOM 449 O LEU 57 5.380 -2.183 22.049 1.00 0.00 ATOM 450 C LEU 57 5.222 -2.145 20.831 1.00 0.00 ATOM 451 N VAL 58 6.084 -2.729 19.989 1.00 0.00 ATOM 452 CA VAL 58 7.270 -3.425 20.479 1.00 0.00 ATOM 453 CB VAL 58 8.073 -4.088 19.344 1.00 0.00 ATOM 454 CG1 VAL 58 9.384 -4.646 19.874 1.00 0.00 ATOM 455 CG2 VAL 58 7.279 -5.228 18.727 1.00 0.00 ATOM 456 O VAL 58 8.772 -2.869 22.259 1.00 0.00 ATOM 457 C VAL 58 8.224 -2.488 21.218 1.00 0.00 ATOM 458 N ASN 59 8.379 -1.276 20.662 1.00 0.00 ATOM 459 CA ASN 59 9.188 -0.225 21.272 1.00 0.00 ATOM 460 CB ASN 59 9.258 1.017 20.361 1.00 0.00 ATOM 461 CG ASN 59 10.138 0.827 19.149 1.00 0.00 ATOM 462 ND2 ASN 59 9.901 1.666 18.138 1.00 0.00 ATOM 463 OD1 ASN 59 11.034 -0.005 19.129 1.00 0.00 ATOM 464 O ASN 59 9.370 0.405 23.580 1.00 0.00 ATOM 465 C ASN 59 8.629 0.177 22.627 1.00 0.00 ATOM 466 N THR 60 7.310 0.352 22.719 1.00 0.00 ATOM 467 CA THR 60 6.718 0.709 24.012 1.00 0.00 ATOM 468 CB THR 60 5.213 1.010 23.881 1.00 0.00 ATOM 469 CG2 THR 60 4.616 1.337 25.239 1.00 0.00 ATOM 470 OG1 THR 60 5.021 2.128 23.006 1.00 0.00 ATOM 471 O THR 60 7.056 -0.172 26.240 1.00 0.00 ATOM 472 C THR 60 6.866 -0.411 25.029 1.00 0.00 ATOM 473 N LEU 61 6.702 -1.665 24.548 1.00 0.00 ATOM 474 CA LEU 61 6.858 -2.809 25.411 1.00 0.00 ATOM 475 CB LEU 61 6.669 -4.106 24.620 1.00 0.00 ATOM 476 CG LEU 61 6.822 -5.407 25.406 1.00 0.00 ATOM 477 CD1 LEU 61 5.782 -5.495 26.512 1.00 0.00 ATOM 478 CD2 LEU 61 6.650 -6.611 24.493 1.00 0.00 ATOM 479 O LEU 61 8.496 -2.760 27.161 1.00 0.00 ATOM 480 C LEU 61 8.288 -2.723 25.952 1.00 0.00 ATOM 481 N CYS 62 9.403 -2.595 25.094 1.00 0.00 ATOM 482 CA CYS 62 10.800 -2.507 25.488 1.00 0.00 ATOM 483 CB CYS 62 11.704 -2.784 24.286 1.00 0.00 ATOM 484 SG CYS 62 11.609 -4.473 23.651 1.00 0.00 ATOM 485 O CYS 62 12.114 -0.872 26.663 1.00 0.00 ATOM 486 C CYS 62 11.092 -1.105 26.013 1.00 0.00 ATOM 487 N GLY 63 10.115 -0.220 25.838 1.00 0.00 ATOM 488 CA GLY 63 10.197 1.175 26.250 1.00 0.00 ATOM 489 O GLY 63 11.874 2.861 26.010 1.00 0.00 ATOM 490 C GLY 63 11.267 1.932 25.478 1.00 0.00 ATOM 491 N THR 64 11.507 1.564 24.238 1.00 0.00 ATOM 492 CA THR 64 12.509 2.258 23.436 1.00 0.00 ATOM 493 CB THR 64 13.537 1.226 22.936 1.00 0.00 ATOM 494 CG2 THR 64 14.112 0.438 24.104 1.00 0.00 ATOM 495 OG1 THR 64 12.904 0.316 22.030 1.00 0.00 ATOM 496 O THR 64 11.029 3.859 22.440 1.00 0.00 ATOM 497 C THR 64 12.052 3.147 22.303 1.00 0.00 ATOM 498 N GLN 65 12.893 3.169 21.190 1.00 0.00 ATOM 499 CA GLN 65 12.552 4.069 20.104 1.00 0.00 ATOM 500 CB GLN 65 13.565 5.165 19.896 1.00 0.00 ATOM 501 CG GLN 65 13.682 6.052 21.062 1.00 0.00 ATOM 502 CD GLN 65 12.429 6.752 21.411 1.00 0.00 ATOM 503 OE1 GLN 65 11.507 6.904 20.605 1.00 0.00 ATOM 504 NE2 GLN 65 12.395 7.238 22.639 1.00 0.00 ATOM 505 O GLN 65 13.093 2.165 18.762 1.00 0.00 ATOM 506 C GLN 65 12.437 3.195 18.861 1.00 0.00 ATOM 507 N LEU 66 11.557 3.578 17.943 1.00 0.00 ATOM 508 CA LEU 66 11.400 2.817 16.710 1.00 0.00 ATOM 509 CB LEU 66 9.931 2.448 16.490 1.00 0.00 ATOM 510 CG LEU 66 9.607 1.696 15.198 1.00 0.00 ATOM 511 CD1 LEU 66 10.239 0.313 15.208 1.00 0.00 ATOM 512 CD2 LEU 66 8.105 1.532 15.034 1.00 0.00 ATOM 513 O LEU 66 10.695 4.055 14.794 1.00 0.00 ATOM 514 C LEU 66 11.617 3.466 15.359 1.00 0.00 ATOM 515 N GLN 67 12.774 3.173 14.789 1.00 0.00 ATOM 516 CA GLN 67 13.170 3.748 13.524 1.00 0.00 ATOM 517 CB GLN 67 14.680 3.525 13.422 1.00 0.00 ATOM 518 CG GLN 67 15.362 4.369 12.357 1.00 0.00 ATOM 519 CD GLN 67 15.223 3.777 10.968 1.00 0.00 ATOM 520 OE1 GLN 67 15.308 2.564 10.789 1.00 0.00 ATOM 521 NE2 GLN 67 15.009 4.638 9.979 1.00 0.00 ATOM 522 O GLN 67 12.306 1.904 12.244 1.00 0.00 ATOM 523 C GLN 67 12.408 3.117 12.354 1.00 0.00 ATOM 524 N LYS 68 11.866 4.038 11.444 1.00 0.00 ATOM 525 CA LYS 68 11.006 3.558 10.355 1.00 0.00 ATOM 526 CB LYS 68 9.727 4.384 10.213 1.00 0.00 ATOM 527 CG LYS 68 8.728 4.180 11.340 1.00 0.00 ATOM 528 CD LYS 68 7.493 5.047 11.148 1.00 0.00 ATOM 529 CE LYS 68 6.501 4.853 12.283 1.00 0.00 ATOM 530 NZ LYS 68 5.299 5.713 12.121 1.00 0.00 ATOM 531 O LYS 68 12.370 4.701 8.746 1.00 0.00 ATOM 532 C LYS 68 11.764 3.671 9.040 1.00 0.00 ATOM 533 N ASN 69 11.705 2.607 8.244 1.00 0.00 ATOM 534 CA ASN 69 12.366 2.567 6.950 1.00 0.00 ATOM 535 CB ASN 69 13.873 2.361 7.123 1.00 0.00 ATOM 536 CG ASN 69 14.204 1.086 7.871 1.00 0.00 ATOM 537 ND2 ASN 69 14.976 1.214 8.945 1.00 0.00 ATOM 538 OD1 ASN 69 13.772 -0.000 7.488 1.00 0.00 ATOM 539 O ASN 69 11.025 0.600 6.654 1.00 0.00 ATOM 540 C ASN 69 11.791 1.408 6.132 1.00 0.00 ATOM 541 N ARG 70 12.245 1.263 4.890 1.00 0.00 ATOM 542 CA ARG 70 11.759 0.185 4.035 1.00 0.00 ATOM 543 CB ARG 70 10.758 -0.024 3.297 1.00 0.00 ATOM 544 CG ARG 70 10.269 0.953 2.243 1.00 0.00 ATOM 545 CD ARG 70 8.879 0.587 1.741 1.00 0.00 ATOM 546 NE ARG 70 8.842 -0.593 0.876 1.00 0.00 ATOM 547 CZ ARG 70 7.751 -1.321 0.648 1.00 0.00 ATOM 548 NH1 ARG 70 6.594 -0.994 1.220 1.00 0.00 ATOM 549 NH2 ARG 70 7.805 -2.391 -0.137 1.00 0.00 ATOM 550 O ARG 70 13.940 0.246 2.957 1.00 0.00 ATOM 551 C ARG 70 12.880 -0.387 3.147 1.00 0.00 ATOM 552 N VAL 71 12.630 -1.702 2.547 1.00 0.00 ATOM 553 CA VAL 71 13.631 -2.221 1.626 1.00 0.00 ATOM 554 CB VAL 71 13.262 -3.613 1.083 1.00 0.00 ATOM 555 CG1 VAL 71 14.245 -4.043 0.003 1.00 0.00 ATOM 556 CG2 VAL 71 13.291 -4.647 2.199 1.00 0.00 ATOM 557 O VAL 71 14.962 -1.076 -0.012 1.00 0.00 ATOM 558 C VAL 71 13.834 -1.320 0.407 1.00 0.00 ATOM 559 N GLU 72 12.748 -0.805 -0.137 1.00 0.00 ATOM 560 CA GLU 72 12.794 0.068 -1.307 1.00 0.00 ATOM 561 CB GLU 72 11.395 0.501 -1.747 1.00 0.00 ATOM 562 CG GLU 72 11.380 1.389 -2.981 1.00 0.00 ATOM 563 CD GLU 72 9.975 1.746 -3.426 1.00 0.00 ATOM 564 OE1 GLU 72 9.012 1.278 -2.781 1.00 0.00 ATOM 565 OE2 GLU 72 9.836 2.493 -4.417 1.00 0.00 ATOM 566 O GLU 72 14.321 1.809 -1.933 1.00 0.00 ATOM 567 C GLU 72 13.582 1.355 -1.062 1.00 0.00 ATOM 568 N VAL 73 13.418 1.939 0.119 1.00 0.00 ATOM 569 CA VAL 73 14.103 3.179 0.472 1.00 0.00 ATOM 570 CB VAL 73 13.653 3.660 1.871 1.00 0.00 ATOM 571 CG1 VAL 73 14.624 4.761 2.393 1.00 0.00 ATOM 572 CG2 VAL 73 12.212 4.103 1.885 1.00 0.00 ATOM 573 O VAL 73 16.336 3.791 -0.170 1.00 0.00 ATOM 574 C VAL 73 15.622 3.032 0.484 1.00 0.00 ATOM 575 N LYS 74 15.709 1.986 1.592 1.00 0.00 ATOM 576 CA LYS 74 17.122 1.635 1.636 1.00 0.00 ATOM 577 CB LYS 74 17.442 0.786 2.915 1.00 0.00 ATOM 578 CG LYS 74 16.527 0.729 4.096 1.00 0.00 ATOM 579 CD LYS 74 17.044 -0.120 5.247 1.00 0.00 ATOM 580 CE LYS 74 17.294 0.733 6.481 1.00 0.00 ATOM 581 NZ LYS 74 17.388 -0.071 7.746 1.00 0.00 ATOM 582 O LYS 74 17.337 -0.070 -0.037 1.00 0.00 ATOM 583 C LYS 74 17.567 1.095 0.282 1.00 0.00 ATOM 584 N MET 75 18.104 2.123 -0.577 1.00 0.00 ATOM 585 CA MET 75 18.545 1.776 -1.927 1.00 0.00 ATOM 586 CB MET 75 18.556 2.872 -2.882 1.00 0.00 ATOM 587 CG MET 75 17.169 3.435 -3.131 1.00 0.00 ATOM 588 SD MET 75 17.154 4.522 -4.579 1.00 0.00 ATOM 589 CE MET 75 17.813 6.054 -3.881 1.00 0.00 ATOM 590 O MET 75 20.335 0.248 -2.404 1.00 0.00 ATOM 591 C MET 75 20.008 1.350 -1.966 1.00 0.00 ATOM 592 N ASN 76 20.895 2.254 -1.563 1.00 0.00 ATOM 593 CA ASN 76 22.325 1.975 -1.568 1.00 0.00 ATOM 594 CB ASN 76 23.105 3.184 -2.088 1.00 0.00 ATOM 595 CG ASN 76 22.860 3.446 -3.560 1.00 0.00 ATOM 596 ND2 ASN 76 23.006 4.701 -3.969 1.00 0.00 ATOM 597 OD1 ASN 76 22.545 2.530 -4.319 1.00 0.00 ATOM 598 O ASN 76 22.087 1.774 0.785 1.00 0.00 ATOM 599 C ASN 76 22.853 1.652 -0.171 1.00 0.00 ATOM 600 N GLU 77 23.884 0.814 -0.114 1.00 0.00 ATOM 601 CA GLU 77 24.480 0.409 1.155 1.00 0.00 ATOM 602 CB GLU 77 25.818 -0.296 0.920 1.00 0.00 ATOM 603 CG GLU 77 26.436 -0.891 2.173 1.00 0.00 ATOM 604 CD GLU 77 27.709 -1.662 1.886 1.00 0.00 ATOM 605 OE1 GLU 77 28.124 -1.704 0.710 1.00 0.00 ATOM 606 OE2 GLU 77 28.290 -2.224 2.837 1.00 0.00 ATOM 607 O GLU 77 24.836 1.420 3.298 1.00 0.00 ATOM 608 C GLU 77 24.746 1.589 2.082 1.00 0.00 ATOM 609 N GLY 78 24.925 2.771 1.503 1.00 0.00 ATOM 610 CA GLY 78 25.183 3.950 2.308 1.00 0.00 ATOM 611 O GLY 78 24.237 4.755 4.357 1.00 0.00 ATOM 612 C GLY 78 24.032 4.271 3.244 1.00 0.00 ATOM 613 N ASP 79 22.769 3.934 2.716 1.00 0.00 ATOM 614 CA ASP 79 21.542 4.182 3.465 1.00 0.00 ATOM 615 CB ASP 79 20.315 3.890 2.600 1.00 0.00 ATOM 616 CG ASP 79 20.100 4.936 1.525 1.00 0.00 ATOM 617 OD1 ASP 79 20.744 6.004 1.594 1.00 0.00 ATOM 618 OD2 ASP 79 19.283 4.690 0.611 1.00 0.00 ATOM 619 O ASP 79 21.181 3.768 5.803 1.00 0.00 ATOM 620 C ASP 79 21.478 3.293 4.705 1.00 0.00 ATOM 621 N GLU 80 21.736 2.003 4.516 1.00 0.00 ATOM 622 CA GLU 80 21.707 1.036 5.608 1.00 0.00 ATOM 623 CB GLU 80 21.988 -0.375 5.085 1.00 0.00 ATOM 624 CG GLU 80 21.917 -1.458 6.149 1.00 0.00 ATOM 625 CD GLU 80 22.144 -2.846 5.581 1.00 0.00 ATOM 626 OE1 GLU 80 22.339 -2.962 4.354 1.00 0.00 ATOM 627 OE2 GLU 80 22.127 -3.818 6.367 1.00 0.00 ATOM 628 O GLU 80 22.484 1.206 7.878 1.00 0.00 ATOM 629 C GLU 80 22.739 1.375 6.684 1.00 0.00 ATOM 630 N ALA 81 23.910 1.820 6.235 1.00 0.00 ATOM 631 CA ALA 81 24.994 2.174 7.144 1.00 0.00 ATOM 632 CB ALA 81 26.239 2.580 6.371 1.00 0.00 ATOM 633 O ALA 81 24.742 3.211 9.292 1.00 0.00 ATOM 634 C ALA 81 24.622 3.326 8.073 1.00 0.00 ATOM 635 N LEU 82 24.162 4.500 7.478 1.00 0.00 ATOM 636 CA LEU 82 23.761 5.661 8.266 1.00 0.00 ATOM 637 CB LEU 82 23.132 6.728 7.368 1.00 0.00 ATOM 638 CG LEU 82 24.081 7.452 6.408 1.00 0.00 ATOM 639 CD1 LEU 82 23.304 8.359 5.466 1.00 0.00 ATOM 640 CD2 LEU 82 25.075 8.308 7.179 1.00 0.00 ATOM 641 O LEU 82 22.991 5.621 10.520 1.00 0.00 ATOM 642 C LEU 82 22.803 5.263 9.369 1.00 0.00 ATOM 643 N ILE 83 21.844 4.417 9.038 1.00 0.00 ATOM 644 CA ILE 83 20.855 3.928 9.996 1.00 0.00 ATOM 645 CB ILE 83 19.716 3.226 9.226 1.00 0.00 ATOM 646 CG1 ILE 83 18.905 4.236 8.441 1.00 0.00 ATOM 647 CG2 ILE 83 18.870 2.390 10.166 1.00 0.00 ATOM 648 CD1 ILE 83 17.839 3.625 7.536 1.00 0.00 ATOM 649 O ILE 83 21.125 3.164 12.245 1.00 0.00 ATOM 650 C ILE 83 21.419 3.000 11.067 1.00 0.00 ATOM 651 N ILE 84 22.248 2.023 10.663 1.00 0.00 ATOM 652 CA ILE 84 22.839 1.084 11.610 1.00 0.00 ATOM 653 CB ILE 84 23.751 0.065 10.901 1.00 0.00 ATOM 654 CG1 ILE 84 22.922 -0.867 10.015 1.00 0.00 ATOM 655 CG2 ILE 84 24.500 -0.778 11.920 1.00 0.00 ATOM 656 CD1 ILE 84 23.753 -1.721 9.082 1.00 0.00 ATOM 657 O ILE 84 23.617 1.572 13.834 1.00 0.00 ATOM 658 C ILE 84 23.676 1.852 12.635 1.00 0.00 ATOM 659 N MET 85 24.468 2.867 12.042 1.00 0.00 ATOM 660 CA MET 85 25.307 3.712 12.893 1.00 0.00 ATOM 661 CB MET 85 26.057 4.743 12.049 1.00 0.00 ATOM 662 CG MET 85 27.137 4.151 11.159 1.00 0.00 ATOM 663 SD MET 85 27.907 5.378 10.085 1.00 0.00 ATOM 664 CE MET 85 28.789 6.370 11.287 1.00 0.00 ATOM 665 O MET 85 24.767 4.403 15.132 1.00 0.00 ATOM 666 C MET 85 24.492 4.475 13.931 1.00 0.00 ATOM 667 N ILE 86 23.424 5.122 13.476 1.00 0.00 ATOM 668 CA ILE 86 22.580 5.908 14.356 1.00 0.00 ATOM 669 CB ILE 86 22.747 7.417 14.103 1.00 0.00 ATOM 670 CG1 ILE 86 24.196 7.842 14.347 1.00 0.00 ATOM 671 CG2 ILE 86 21.846 8.217 15.031 1.00 0.00 ATOM 672 CD1 ILE 86 24.489 9.272 13.951 1.00 0.00 ATOM 673 O ILE 86 20.590 5.744 13.043 1.00 0.00 ATOM 674 C ILE 86 21.117 5.567 14.151 1.00 0.00 ATOM 675 N SER 87 20.469 5.066 15.205 1.00 0.00 ATOM 676 CA SER 87 19.048 4.729 15.135 1.00 0.00 ATOM 677 CB SER 87 18.702 3.647 16.158 1.00 0.00 ATOM 678 OG SER 87 19.345 2.425 15.845 1.00 0.00 ATOM 679 O SER 87 18.520 6.842 16.202 1.00 0.00 ATOM 680 C SER 87 18.156 5.952 15.424 1.00 0.00 ATOM 681 N GLN 88 17.059 6.056 14.681 1.00 0.00 ATOM 682 CA GLN 88 16.124 7.168 14.815 1.00 0.00 ATOM 683 CB GLN 88 15.206 7.233 13.567 1.00 0.00 ATOM 684 CG GLN 88 15.966 7.273 12.253 1.00 0.00 ATOM 685 CD GLN 88 16.684 8.573 12.045 1.00 0.00 ATOM 686 OE1 GLN 88 16.054 9.573 11.735 1.00 0.00 ATOM 687 NE2 GLN 88 17.993 8.588 12.267 1.00 0.00 ATOM 688 O GLN 88 14.837 6.098 16.525 1.00 0.00 ATOM 689 C GLN 88 15.394 7.130 16.160 1.00 0.00 ATOM 690 N ARG 89 15.349 8.261 16.868 1.00 0.00 ATOM 691 CA ARG 89 14.644 8.341 18.137 1.00 0.00 ATOM 692 CB ARG 89 15.592 8.721 19.252 1.00 0.00 ATOM 693 CG ARG 89 14.900 8.817 20.611 1.00 0.00 ATOM 694 CD ARG 89 15.902 9.080 21.730 1.00 0.00 ATOM 695 NE ARG 89 15.284 9.027 23.054 1.00 0.00 ATOM 696 CZ ARG 89 14.363 9.880 23.494 1.00 0.00 ATOM 697 NH1 ARG 89 13.936 10.870 22.719 1.00 0.00 ATOM 698 NH2 ARG 89 13.865 9.745 24.717 1.00 0.00 ATOM 699 O ARG 89 13.820 10.515 17.543 1.00 0.00 ATOM 700 C ARG 89 13.579 9.420 18.052 1.00 0.00 ATOM 701 N LEU 90 12.303 9.071 18.553 1.00 0.00 ATOM 702 CA LEU 90 11.187 10.000 18.562 1.00 0.00 ATOM 703 CB LEU 90 9.936 9.301 19.059 1.00 0.00 ATOM 704 CG LEU 90 8.714 10.194 19.279 1.00 0.00 ATOM 705 CD1 LEU 90 8.255 10.766 17.948 1.00 0.00 ATOM 706 CD2 LEU 90 7.601 9.390 19.928 1.00 0.00 ATOM 707 O LEU 90 11.914 10.862 20.684 1.00 0.00 ATOM 708 C LEU 90 11.546 11.125 19.536 1.00 0.00 ATOM 709 N GLU 91 11.413 12.330 19.106 1.00 0.00 ATOM 710 CA GLU 91 11.664 13.456 19.998 1.00 0.00 ATOM 711 CB GLU 91 11.641 14.773 19.220 1.00 0.00 ATOM 712 CG GLU 91 12.798 14.940 18.249 1.00 0.00 ATOM 713 CD GLU 91 12.685 16.204 17.418 1.00 0.00 ATOM 714 OE1 GLU 91 11.685 16.935 17.584 1.00 0.00 ATOM 715 OE2 GLU 91 13.594 16.461 16.601 1.00 0.00 ATOM 716 O GLU 91 10.875 14.118 22.157 1.00 0.00 ATOM 717 C GLU 91 10.646 13.479 21.136 1.00 0.00 ATOM 718 N GLU 92 9.468 12.751 20.980 1.00 0.00 ATOM 719 CA GLU 92 8.449 12.724 22.031 1.00 0.00 ATOM 720 CB GLU 92 7.052 12.504 21.451 1.00 0.00 ATOM 721 CG GLU 92 6.579 13.617 20.531 1.00 0.00 ATOM 722 CD GLU 92 5.190 13.365 19.976 1.00 0.00 ATOM 723 OE1 GLU 92 4.592 12.324 20.322 1.00 0.00 ATOM 724 OE2 GLU 92 4.701 14.208 19.196 1.00 0.00 ATOM 725 O GLU 92 8.043 11.633 24.136 1.00 0.00 ATOM 726 C GLU 92 8.681 11.644 23.070 1.00 0.00 ATOM 727 N GLY 93 9.663 10.800 22.841 1.00 0.00 ATOM 728 CA GLY 93 9.956 9.736 23.782 1.00 0.00 ATOM 729 O GLY 93 8.994 7.742 24.643 1.00 0.00 ATOM 730 C GLY 93 8.949 8.604 23.773 1.00 0.00 ATOM 731 N LYS 94 8.053 8.553 22.791 1.00 0.00 ATOM 732 CA LYS 94 7.054 7.521 22.736 1.00 0.00 ATOM 733 CB LYS 94 5.690 8.072 23.156 1.00 0.00 ATOM 734 CG LYS 94 5.622 8.525 24.606 1.00 0.00 ATOM 735 CD LYS 94 4.238 9.041 24.958 1.00 0.00 ATOM 736 CE LYS 94 4.170 9.492 26.408 1.00 0.00 ATOM 737 NZ LYS 94 2.806 9.960 26.782 1.00 0.00 ATOM 738 O LYS 94 7.254 7.484 20.329 1.00 0.00 ATOM 739 C LYS 94 6.851 6.898 21.376 1.00 0.00 ATOM 740 N VAL 95 6.300 5.703 21.198 1.00 0.00 ATOM 741 CA VAL 95 6.124 5.126 19.853 1.00 0.00 ATOM 742 CB VAL 95 6.838 3.769 19.753 1.00 0.00 ATOM 743 CG1 VAL 95 6.662 3.191 18.358 1.00 0.00 ATOM 744 CG2 VAL 95 8.315 3.942 20.098 1.00 0.00 ATOM 745 O VAL 95 3.902 4.587 20.547 1.00 0.00 ATOM 746 C VAL 95 4.619 5.033 19.655 1.00 0.00 ATOM 747 N LEU 96 3.870 5.448 18.391 1.00 0.00 ATOM 748 CA LEU 96 2.438 5.695 18.418 1.00 0.00 ATOM 749 CB LEU 96 2.042 6.677 17.315 1.00 0.00 ATOM 750 CG LEU 96 2.671 8.070 17.388 1.00 0.00 ATOM 751 CD1 LEU 96 2.243 8.916 16.199 1.00 0.00 ATOM 752 CD2 LEU 96 2.239 8.786 18.659 1.00 0.00 ATOM 753 O LEU 96 2.054 3.393 17.798 1.00 0.00 ATOM 754 C LEU 96 1.569 4.447 18.216 1.00 0.00 ATOM 755 N SER 97 0.279 4.597 18.523 1.00 0.00 ATOM 756 CA SER 97 -0.716 3.526 18.408 1.00 0.00 ATOM 757 CB SER 97 -1.927 3.821 19.297 1.00 0.00 ATOM 758 OG SER 97 -2.638 4.953 18.830 1.00 0.00 ATOM 759 O SER 97 -1.170 4.266 16.169 1.00 0.00 ATOM 760 C SER 97 -1.148 3.321 16.961 1.00 0.00 ATOM 761 N ASP 98 -1.623 2.110 16.661 1.00 0.00 ATOM 762 CA ASP 98 -2.069 1.781 15.313 1.00 0.00 ATOM 763 CB ASP 98 -2.430 0.300 15.186 1.00 0.00 ATOM 764 CG ASP 98 -2.882 -0.071 13.786 1.00 0.00 ATOM 765 OD1 ASP 98 -2.080 0.081 12.842 1.00 0.00 ATOM 766 OD2 ASP 98 -4.040 -0.515 13.634 1.00 0.00 ATOM 767 O ASP 98 -3.422 3.084 13.833 1.00 0.00 ATOM 768 C ASP 98 -3.346 2.607 14.956 1.00 0.00 ATOM 769 N LYS 99 -4.340 2.600 15.840 1.00 0.00 ATOM 770 CA LYS 99 -5.552 3.405 15.472 1.00 0.00 ATOM 771 CB LYS 99 -6.602 3.331 16.583 1.00 0.00 ATOM 772 CG LYS 99 -7.271 1.973 16.716 1.00 0.00 ATOM 773 CD LYS 99 -8.300 1.972 17.833 1.00 0.00 ATOM 774 CE LYS 99 -8.952 0.605 17.982 1.00 0.00 ATOM 775 NZ LYS 99 -9.940 0.581 19.095 1.00 0.00 ATOM 776 O LYS 99 -5.709 5.498 14.284 1.00 0.00 ATOM 777 C LYS 99 -5.204 4.874 15.227 1.00 0.00 ATOM 778 N GLU 100 -4.272 5.411 16.028 1.00 0.00 ATOM 779 CA GLU 100 -3.880 6.808 15.890 1.00 0.00 ATOM 780 CB GLU 100 -2.877 7.209 16.972 1.00 0.00 ATOM 781 CG GLU 100 -2.466 8.674 16.928 1.00 0.00 ATOM 782 CD GLU 100 -1.500 9.043 18.035 1.00 0.00 ATOM 783 OE1 GLU 100 -1.158 8.156 18.846 1.00 0.00 ATOM 784 OE2 GLU 100 -1.081 10.217 18.092 1.00 0.00 ATOM 785 O GLU 100 -3.495 8.088 13.876 1.00 0.00 ATOM 786 C GLU 100 -3.230 7.043 14.576 1.00 0.00 ATOM 787 N ILE 101 -2.312 6.237 14.290 1.00 0.00 ATOM 788 CA ILE 101 -1.592 6.438 13.072 1.00 0.00 ATOM 789 CB ILE 101 -0.476 5.391 12.901 1.00 0.00 ATOM 790 CG1 ILE 101 0.600 5.579 13.973 1.00 0.00 ATOM 791 CG2 ILE 101 0.176 5.525 11.534 1.00 0.00 ATOM 792 CD1 ILE 101 1.590 4.437 14.050 1.00 0.00 ATOM 793 O ILE 101 -2.355 7.168 10.914 1.00 0.00 ATOM 794 C ILE 101 -2.498 6.364 11.847 1.00 0.00 ATOM 795 N LYS 102 -3.338 5.356 11.791 1.00 0.00 ATOM 796 CA LYS 102 -4.255 5.209 10.671 1.00 0.00 ATOM 797 CB LYS 102 -5.143 3.973 10.835 1.00 0.00 ATOM 798 CG LYS 102 -6.084 3.726 9.667 1.00 0.00 ATOM 799 CD LYS 102 -6.878 2.446 9.858 1.00 0.00 ATOM 800 CE LYS 102 -7.841 2.214 8.705 1.00 0.00 ATOM 801 NZ LYS 102 -8.636 0.969 8.887 1.00 0.00 ATOM 802 O LYS 102 -5.404 6.873 9.408 1.00 0.00 ATOM 803 C LYS 102 -5.180 6.462 10.535 1.00 0.00 ATOM 804 N ASP 103 -5.643 6.930 11.666 1.00 0.00 ATOM 805 CA ASP 103 -6.517 8.142 11.639 1.00 0.00 ATOM 806 CB ASP 103 -6.957 8.518 13.054 1.00 0.00 ATOM 807 CG ASP 103 -7.987 7.559 13.619 1.00 0.00 ATOM 808 OD1 ASP 103 -8.532 6.749 12.841 1.00 0.00 ATOM 809 OD2 ASP 103 -8.247 7.618 14.839 1.00 0.00 ATOM 810 O ASP 103 -6.283 10.076 10.180 1.00 0.00 ATOM 811 C ASP 103 -5.774 9.323 11.037 1.00 0.00 ATOM 812 N MET 104 -4.479 9.500 11.419 1.00 0.00 ATOM 813 CA MET 104 -3.725 10.613 10.827 1.00 0.00 ATOM 814 CB MET 104 -2.340 10.724 11.471 1.00 0.00 ATOM 815 CG MET 104 -2.365 11.187 12.919 1.00 0.00 ATOM 816 SD MET 104 -3.092 12.826 13.114 1.00 0.00 ATOM 817 CE MET 104 -1.849 13.843 12.322 1.00 0.00 ATOM 818 O MET 104 -3.608 11.407 8.562 1.00 0.00 ATOM 819 C MET 104 -3.565 10.438 9.318 1.00 0.00 ATOM 820 N TYR 105 -3.325 9.234 8.999 1.00 0.00 ATOM 821 CA TYR 105 -3.100 8.982 7.581 1.00 0.00 ATOM 822 CB TYR 105 -2.694 7.507 7.396 1.00 0.00 ATOM 823 CG TYR 105 -2.441 7.259 5.920 1.00 0.00 ATOM 824 CD1 TYR 105 -1.224 7.609 5.347 1.00 0.00 ATOM 825 CD2 TYR 105 -3.441 6.703 5.136 1.00 0.00 ATOM 826 CE1 TYR 105 -1.017 7.396 3.988 1.00 0.00 ATOM 827 CE2 TYR 105 -3.229 6.482 3.788 1.00 0.00 ATOM 828 CZ TYR 105 -2.020 6.837 3.229 1.00 0.00 ATOM 829 OH TYR 105 -1.844 6.624 1.885 1.00 0.00 ATOM 830 O TYR 105 -4.297 9.995 5.714 1.00 0.00 ATOM 831 C TYR 105 -4.354 9.361 6.782 1.00 0.00 ATOM 832 N ARG 106 -5.494 8.885 7.246 1.00 0.00 ATOM 833 CA ARG 106 -6.742 9.209 6.596 1.00 0.00 ATOM 834 CB ARG 106 -7.870 8.264 7.203 1.00 0.00 ATOM 835 CG ARG 106 -7.653 6.778 6.956 1.00 0.00 ATOM 836 CD ARG 106 -8.535 5.933 7.848 1.00 0.00 ATOM 837 NE ARG 106 -9.294 4.971 7.069 1.00 0.00 ATOM 838 CZ ARG 106 -10.409 5.254 6.408 1.00 0.00 ATOM 839 NH1 ARG 106 -10.912 6.478 6.439 1.00 0.00 ATOM 840 NH2 ARG 106 -11.009 4.313 5.696 1.00 0.00 ATOM 841 O ARG 106 -7.705 11.204 5.691 1.00 0.00 ATOM 842 C ARG 106 -6.957 10.717 6.537 1.00 0.00 ATOM 843 N GLN 107 -6.243 11.454 7.580 1.00 0.00 ATOM 844 CA GLN 107 -6.377 12.910 7.644 1.00 0.00 ATOM 845 CB GLN 107 -6.219 13.399 9.085 1.00 0.00 ATOM 846 CG GLN 107 -7.256 12.841 10.046 1.00 0.00 ATOM 847 CD GLN 107 -8.674 13.208 9.652 1.00 0.00 ATOM 848 OE1 GLN 107 -8.967 14.367 9.364 1.00 0.00 ATOM 849 NE2 GLN 107 -9.558 12.216 9.638 1.00 0.00 ATOM 850 O GLN 107 -5.284 14.857 6.754 1.00 0.00 ATOM 851 C GLN 107 -5.381 13.630 6.734 1.00 0.00 ATOM 852 N GLY 108 -4.538 12.863 6.050 1.00 0.00 ATOM 853 CA GLY 108 -3.569 13.453 5.144 1.00 0.00 ATOM 854 O GLY 108 -1.316 14.175 4.947 1.00 0.00 ATOM 855 C GLY 108 -2.207 13.809 5.713 1.00 0.00 ATOM 856 N LYS 109 -1.969 13.437 6.960 1.00 0.00 ATOM 857 CA LYS 109 -0.679 13.743 7.559 1.00 0.00 ATOM 858 CB LYS 109 -0.778 14.993 8.436 1.00 0.00 ATOM 859 CG LYS 109 -1.119 16.262 7.670 1.00 0.00 ATOM 860 CD LYS 109 -1.129 17.474 8.586 1.00 0.00 ATOM 861 CE LYS 109 -1.540 18.731 7.837 1.00 0.00 ATOM 862 NZ LYS 109 -1.495 19.938 8.709 1.00 0.00 ATOM 863 O LYS 109 -0.990 11.996 9.139 1.00 0.00 ATOM 864 C LYS 109 -0.187 12.589 8.450 1.00 0.00 ATOM 865 N ILE 110 1.181 12.345 8.361 1.00 0.00 ATOM 866 CA ILE 110 1.822 11.334 9.204 1.00 0.00 ATOM 867 CB ILE 110 2.147 10.064 8.397 1.00 0.00 ATOM 868 CG1 ILE 110 0.869 9.463 7.811 1.00 0.00 ATOM 869 CG2 ILE 110 2.805 9.020 9.287 1.00 0.00 ATOM 870 CD1 ILE 110 1.114 8.337 6.831 1.00 0.00 ATOM 871 O ILE 110 4.214 11.602 9.232 1.00 0.00 ATOM 872 C ILE 110 3.143 11.902 9.780 1.00 0.00 ATOM 873 N SER 111 3.185 12.724 10.909 1.00 0.00 ATOM 874 CA SER 111 4.333 13.535 11.290 1.00 0.00 ATOM 875 CB SER 111 3.982 14.437 12.475 1.00 0.00 ATOM 876 OG SER 111 3.008 15.400 12.114 1.00 0.00 ATOM 877 O SER 111 6.657 12.855 11.281 1.00 0.00 ATOM 878 C SER 111 5.497 12.623 11.676 1.00 0.00 ATOM 879 N PHE 112 5.208 11.571 12.378 1.00 0.00 ATOM 880 CA PHE 112 6.264 10.634 12.780 1.00 0.00 ATOM 881 CB PHE 112 5.720 9.682 13.854 1.00 0.00 ATOM 882 CG PHE 112 6.789 8.833 14.460 1.00 0.00 ATOM 883 CD1 PHE 112 7.972 9.432 14.925 1.00 0.00 ATOM 884 CD2 PHE 112 6.757 7.447 14.325 1.00 0.00 ATOM 885 CE1 PHE 112 9.120 8.659 15.224 1.00 0.00 ATOM 886 CE2 PHE 112 7.894 6.671 14.627 1.00 0.00 ATOM 887 CZ PHE 112 9.074 7.290 15.066 1.00 0.00 ATOM 888 O PHE 112 8.081 9.882 11.402 1.00 0.00 ATOM 889 C PHE 112 6.850 9.966 11.540 1.00 0.00 ATOM 890 N TYR 113 5.994 9.513 10.628 1.00 0.00 ATOM 891 CA TYR 113 6.448 8.921 9.370 1.00 0.00 ATOM 892 CB TYR 113 5.199 8.477 8.541 1.00 0.00 ATOM 893 CG TYR 113 5.562 8.107 7.122 1.00 0.00 ATOM 894 CD1 TYR 113 6.212 6.907 6.841 1.00 0.00 ATOM 895 CD2 TYR 113 5.332 8.995 6.072 1.00 0.00 ATOM 896 CE1 TYR 113 6.628 6.601 5.549 1.00 0.00 ATOM 897 CE2 TYR 113 5.747 8.702 4.778 1.00 0.00 ATOM 898 CZ TYR 113 6.395 7.504 4.523 1.00 0.00 ATOM 899 OH TYR 113 6.822 7.211 3.247 1.00 0.00 ATOM 900 O TYR 113 8.365 9.543 8.004 1.00 0.00 ATOM 901 C TYR 113 7.271 9.884 8.506 1.00 0.00 ATOM 902 N GLU 114 6.708 11.198 8.226 1.00 0.00 ATOM 903 CA GLU 114 7.412 12.298 7.553 1.00 0.00 ATOM 904 CB GLU 114 6.571 13.574 7.590 1.00 0.00 ATOM 905 CG GLU 114 5.342 13.536 6.697 1.00 0.00 ATOM 906 CD GLU 114 4.483 14.777 6.831 1.00 0.00 ATOM 907 OE1 GLU 114 4.811 15.638 7.674 1.00 0.00 ATOM 908 OE2 GLU 114 3.482 14.889 6.092 1.00 0.00 ATOM 909 O GLU 114 9.725 12.923 7.499 1.00 0.00 ATOM 910 C GLU 114 8.748 12.610 8.209 1.00 0.00 ATOM 911 N VAL 115 8.876 12.457 9.528 1.00 0.00 ATOM 912 CA VAL 115 10.154 12.679 10.186 1.00 0.00 ATOM 913 CB VAL 115 10.065 13.816 11.222 1.00 0.00 ATOM 914 CG1 VAL 115 11.396 13.991 11.936 1.00 0.00 ATOM 915 CG2 VAL 115 9.708 15.129 10.541 1.00 0.00 ATOM 916 O VAL 115 9.824 10.751 11.569 1.00 0.00 ATOM 917 C VAL 115 10.612 11.412 10.893 1.00 0.00 ATOM 918 N TRP 116 11.910 11.157 10.847 1.00 0.00 ATOM 919 CA TRP 116 12.499 10.005 11.515 1.00 0.00 ATOM 920 CB TRP 116 13.284 9.133 10.532 1.00 0.00 ATOM 921 CG TRP 116 12.424 8.467 9.501 1.00 0.00 ATOM 922 CD1 TRP 116 11.063 8.358 9.517 1.00 0.00 ATOM 923 CD2 TRP 116 12.865 7.823 8.300 1.00 0.00 ATOM 924 CE2 TRP 116 11.717 7.344 7.638 1.00 0.00 ATOM 925 CE3 TRP 116 14.118 7.604 7.721 1.00 0.00 ATOM 926 NE1 TRP 116 10.628 7.681 8.403 1.00 0.00 ATOM 927 CZ2 TRP 116 11.785 6.658 6.427 1.00 0.00 ATOM 928 CZ3 TRP 116 14.180 6.924 6.518 1.00 0.00 ATOM 929 CH2 TRP 116 13.025 6.458 5.882 1.00 0.00 ATOM 930 O TRP 116 14.240 11.418 12.347 1.00 0.00 ATOM 931 C TRP 116 13.435 10.515 12.589 1.00 0.00 TER END