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 Mon Aug 23 11:28:23 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 12.191 -5.750 0.940 1.00 0.00 ATOM 2 CA MET 1 11.636 -6.338 2.194 1.00 0.00 ATOM 3 CB MET 1 12.852 -6.625 3.123 1.00 0.00 ATOM 4 CG MET 1 12.456 -7.518 4.297 1.00 0.00 ATOM 5 SD MET 1 13.906 -7.902 5.297 1.00 0.00 ATOM 6 CE MET 1 14.153 -6.340 6.114 1.00 0.00 ATOM 7 O MET 1 9.498 -6.019 3.233 1.00 0.00 ATOM 8 C MET 1 10.562 -5.502 2.894 1.00 0.00 ATOM 9 N GLY 2 10.773 -4.183 3.012 1.00 0.00 ATOM 10 CA GLY 2 9.797 -3.321 3.655 1.00 0.00 ATOM 11 O GLY 2 8.858 -2.856 5.803 1.00 0.00 ATOM 12 C GLY 2 9.727 -3.450 5.165 1.00 0.00 ATOM 13 N LYS 3 10.526 -4.330 5.723 1.00 0.00 ATOM 14 CA LYS 3 10.565 -4.537 7.167 1.00 0.00 ATOM 15 CB LYS 3 11.442 -5.744 7.510 1.00 0.00 ATOM 16 CG LYS 3 10.924 -7.063 6.963 1.00 0.00 ATOM 17 CD LYS 3 11.818 -8.220 7.376 1.00 0.00 ATOM 18 CE LYS 3 11.334 -9.532 6.780 1.00 0.00 ATOM 19 NZ LYS 3 12.199 -10.677 7.175 1.00 0.00 ATOM 20 O LYS 3 12.033 -2.669 7.430 1.00 0.00 ATOM 21 C LYS 3 11.082 -3.298 7.886 1.00 0.00 ATOM 22 N VAL 4 10.466 -2.934 9.004 1.00 0.00 ATOM 23 CA VAL 4 10.903 -1.738 9.735 1.00 0.00 ATOM 24 CB VAL 4 9.751 -0.716 9.811 1.00 0.00 ATOM 25 CG1 VAL 4 10.148 0.445 10.686 1.00 0.00 ATOM 26 CG2 VAL 4 9.412 -0.229 8.412 1.00 0.00 ATOM 27 O VAL 4 10.594 -2.867 11.787 1.00 0.00 ATOM 28 C VAL 4 11.336 -2.166 11.106 1.00 0.00 ATOM 29 N PHE 5 12.535 -1.044 11.526 1.00 0.00 ATOM 30 CA PHE 5 13.183 -1.555 12.717 1.00 0.00 ATOM 31 CB PHE 5 14.411 -2.387 12.340 1.00 0.00 ATOM 32 CG PHE 5 14.087 -3.625 11.554 1.00 0.00 ATOM 33 CD1 PHE 5 14.102 -3.607 10.169 1.00 0.00 ATOM 34 CD2 PHE 5 13.767 -4.807 12.197 1.00 0.00 ATOM 35 CE1 PHE 5 13.804 -4.746 9.446 1.00 0.00 ATOM 36 CE2 PHE 5 13.469 -5.947 11.473 1.00 0.00 ATOM 37 CZ PHE 5 13.487 -5.919 10.103 1.00 0.00 ATOM 38 O PHE 5 13.959 0.691 13.072 1.00 0.00 ATOM 39 C PHE 5 13.615 -0.390 13.582 1.00 0.00 ATOM 40 N LEU 6 13.646 -0.610 14.881 1.00 0.00 ATOM 41 CA LEU 6 14.107 0.406 15.808 1.00 0.00 ATOM 42 CB LEU 6 13.463 0.262 17.191 1.00 0.00 ATOM 43 CG LEU 6 14.080 1.204 18.248 1.00 0.00 ATOM 44 CD1 LEU 6 13.729 2.656 17.939 1.00 0.00 ATOM 45 CD2 LEU 6 13.608 0.814 19.646 1.00 0.00 ATOM 46 O LEU 6 15.878 -1.110 16.069 1.00 0.00 ATOM 47 C LEU 6 15.533 0.060 16.024 1.00 0.00 ATOM 48 N THR 7 16.562 1.016 16.066 1.00 0.00 ATOM 49 CA THR 7 17.936 0.664 16.270 1.00 0.00 ATOM 50 CB THR 7 18.866 1.455 15.331 1.00 0.00 ATOM 51 CG2 THR 7 18.589 1.095 13.879 1.00 0.00 ATOM 52 OG1 THR 7 18.649 2.860 15.511 1.00 0.00 ATOM 53 O THR 7 19.501 1.311 17.919 1.00 0.00 ATOM 54 C THR 7 18.363 0.951 17.680 1.00 0.00 ATOM 55 N ASN 8 17.465 0.798 18.782 1.00 0.00 ATOM 56 CA ASN 8 17.893 1.054 20.149 1.00 0.00 ATOM 57 CB ASN 8 16.745 0.908 21.135 1.00 0.00 ATOM 58 CG ASN 8 15.901 2.171 21.221 1.00 0.00 ATOM 59 ND2 ASN 8 14.599 2.001 21.409 1.00 0.00 ATOM 60 OD1 ASN 8 16.420 3.286 21.133 1.00 0.00 ATOM 61 O ASN 8 19.924 0.452 21.238 1.00 0.00 ATOM 62 C ASN 8 18.969 0.059 20.560 1.00 0.00 ATOM 63 N ALA 9 18.856 -1.199 20.148 1.00 0.00 ATOM 64 CA ALA 9 19.862 -2.175 20.501 1.00 0.00 ATOM 65 CB ALA 9 19.557 -2.784 21.862 1.00 0.00 ATOM 66 O ALA 9 18.902 -3.696 18.888 1.00 0.00 ATOM 67 C ALA 9 19.922 -3.298 19.489 1.00 0.00 ATOM 68 N PHE 10 21.131 -3.800 19.264 1.00 0.00 ATOM 69 CA PHE 10 21.312 -4.949 18.391 1.00 0.00 ATOM 70 CB PHE 10 22.794 -5.152 18.073 1.00 0.00 ATOM 71 CG PHE 10 23.357 -4.133 17.126 1.00 0.00 ATOM 72 CD1 PHE 10 24.120 -3.078 17.595 1.00 0.00 ATOM 73 CD2 PHE 10 23.122 -4.226 15.765 1.00 0.00 ATOM 74 CE1 PHE 10 24.637 -2.139 16.722 1.00 0.00 ATOM 75 CE2 PHE 10 23.639 -3.287 14.892 1.00 0.00 ATOM 76 CZ PHE 10 24.395 -2.246 15.366 1.00 0.00 ATOM 77 O PHE 10 20.073 -7.007 18.332 1.00 0.00 ATOM 78 C PHE 10 20.580 -6.125 19.030 1.00 0.00 ATOM 79 N SER 11 20.413 -6.162 20.579 1.00 0.00 ATOM 80 CA SER 11 19.731 -7.429 20.929 1.00 0.00 ATOM 81 CB SER 11 19.659 -7.710 22.432 1.00 0.00 ATOM 82 OG SER 11 20.951 -7.919 22.974 1.00 0.00 ATOM 83 O SER 11 17.849 -8.151 19.606 1.00 0.00 ATOM 84 C SER 11 18.324 -7.279 20.338 1.00 0.00 ATOM 85 N ILE 12 17.696 -6.137 20.601 1.00 0.00 ATOM 86 CA ILE 12 16.364 -5.844 20.067 1.00 0.00 ATOM 87 CB ILE 12 15.826 -4.502 20.597 1.00 0.00 ATOM 88 CG1 ILE 12 15.573 -4.585 22.104 1.00 0.00 ATOM 89 CG2 ILE 12 14.520 -4.142 19.906 1.00 0.00 ATOM 90 CD1 ILE 12 15.274 -3.250 22.746 1.00 0.00 ATOM 91 O ILE 12 15.318 -6.231 17.937 1.00 0.00 ATOM 92 C ILE 12 16.316 -5.818 18.535 1.00 0.00 ATOM 93 N ASN 13 17.440 -5.490 17.738 1.00 0.00 ATOM 94 CA ASN 13 17.463 -5.543 16.268 1.00 0.00 ATOM 95 CB ASN 13 18.765 -4.960 15.714 1.00 0.00 ATOM 96 CG ASN 13 18.818 -3.449 15.819 1.00 0.00 ATOM 97 ND2 ASN 13 20.022 -2.893 15.756 1.00 0.00 ATOM 98 OD1 ASN 13 17.786 -2.790 15.956 1.00 0.00 ATOM 99 O ASN 13 16.504 -7.261 14.896 1.00 0.00 ATOM 100 C ASN 13 17.292 -6.978 15.799 1.00 0.00 ATOM 101 N MET 14 18.054 -7.934 16.400 1.00 0.00 ATOM 102 CA MET 14 17.969 -9.336 16.039 1.00 0.00 ATOM 103 CB MET 14 19.015 -10.151 16.802 1.00 0.00 ATOM 104 CG MET 14 20.445 -9.909 16.346 1.00 0.00 ATOM 105 SD MET 14 20.705 -10.337 14.614 1.00 0.00 ATOM 106 CE MET 14 20.536 -12.119 14.677 1.00 0.00 ATOM 107 O MET 14 15.986 -10.669 15.689 1.00 0.00 ATOM 108 C MET 14 16.573 -9.856 16.415 1.00 0.00 ATOM 109 N LEU 15 16.026 -9.402 17.560 1.00 0.00 ATOM 110 CA LEU 15 14.696 -9.818 18.003 1.00 0.00 ATOM 111 CB LEU 15 14.359 -9.190 19.356 1.00 0.00 ATOM 112 CG LEU 15 15.155 -9.703 20.559 1.00 0.00 ATOM 113 CD1 LEU 15 14.853 -8.874 21.798 1.00 0.00 ATOM 114 CD2 LEU 15 14.802 -11.153 20.859 1.00 0.00 ATOM 115 O LEU 15 12.600 -10.141 16.776 1.00 0.00 ATOM 116 C LEU 15 13.595 -9.410 17.031 1.00 0.00 ATOM 117 N LYS 16 13.727 -8.228 16.489 1.00 0.00 ATOM 118 CA LYS 16 12.682 -7.591 15.667 1.00 0.00 ATOM 119 CB LYS 16 13.145 -6.216 15.184 1.00 0.00 ATOM 120 CG LYS 16 13.238 -5.170 16.283 1.00 0.00 ATOM 121 CD LYS 16 13.712 -3.834 15.736 1.00 0.00 ATOM 122 CE LYS 16 13.941 -2.829 16.853 1.00 0.00 ATOM 123 NZ LYS 16 12.678 -2.502 17.571 1.00 0.00 ATOM 124 O LYS 16 11.265 -8.417 13.980 1.00 0.00 ATOM 125 C LYS 16 12.408 -8.489 14.472 1.00 0.00 ATOM 126 N GLU 17 13.376 -9.312 14.078 1.00 0.00 ATOM 127 CA GLU 17 13.110 -10.207 12.931 1.00 0.00 ATOM 128 CB GLU 17 14.269 -11.184 12.731 1.00 0.00 ATOM 129 CG GLU 17 14.106 -12.107 11.533 1.00 0.00 ATOM 130 CD GLU 17 15.302 -13.015 11.332 1.00 0.00 ATOM 131 OE1 GLU 17 16.270 -12.908 12.113 1.00 0.00 ATOM 132 OE2 GLU 17 15.272 -13.835 10.389 1.00 0.00 ATOM 133 O GLU 17 11.147 -11.483 12.206 1.00 0.00 ATOM 134 C GLU 17 11.835 -11.027 13.143 1.00 0.00 ATOM 135 N PHE 18 11.382 -11.125 14.464 1.00 0.00 ATOM 136 CA PHE 18 10.272 -12.048 14.733 1.00 0.00 ATOM 137 CB PHE 18 10.748 -13.196 15.619 1.00 0.00 ATOM 138 CG PHE 18 11.850 -14.005 14.991 1.00 0.00 ATOM 139 CD1 PHE 18 11.711 -14.503 13.696 1.00 0.00 ATOM 140 CD2 PHE 18 13.024 -14.271 15.688 1.00 0.00 ATOM 141 CE1 PHE 18 12.723 -15.251 13.108 1.00 0.00 ATOM 142 CE2 PHE 18 14.044 -15.022 15.106 1.00 0.00 ATOM 143 CZ PHE 18 13.892 -15.511 13.814 1.00 0.00 ATOM 144 O PHE 18 7.961 -12.148 15.514 1.00 0.00 ATOM 145 C PHE 18 8.916 -11.442 15.093 1.00 0.00 ATOM 146 N PRO 19 8.820 -10.138 14.909 1.00 0.00 ATOM 147 CA PRO 19 7.573 -9.425 15.188 1.00 0.00 ATOM 148 CB PRO 19 7.962 -7.949 15.099 1.00 0.00 ATOM 149 CG PRO 19 9.187 -7.936 14.248 1.00 0.00 ATOM 150 CD PRO 19 9.920 -9.211 14.553 1.00 0.00 ATOM 151 O PRO 19 5.274 -9.748 14.487 1.00 0.00 ATOM 152 C PRO 19 6.475 -9.769 14.167 1.00 0.00 ATOM 153 N THR 20 6.909 -10.075 12.942 1.00 0.00 ATOM 154 CA THR 20 6.016 -10.405 11.836 1.00 0.00 ATOM 155 CB THR 20 5.973 -9.280 10.782 1.00 0.00 ATOM 156 CG2 THR 20 5.486 -7.975 11.405 1.00 0.00 ATOM 157 OG1 THR 20 7.276 -9.072 10.215 1.00 0.00 ATOM 158 O THR 20 7.685 -11.946 10.998 1.00 0.00 ATOM 159 C THR 20 6.487 -11.617 11.043 1.00 0.00 ATOM 160 N THR 21 5.050 -12.081 10.735 1.00 0.00 ATOM 161 CA THR 21 5.318 -13.241 9.898 1.00 0.00 ATOM 162 CB THR 21 4.315 -14.371 10.193 1.00 0.00 ATOM 163 CG2 THR 21 4.565 -15.558 9.276 1.00 0.00 ATOM 164 OG1 THR 21 4.458 -14.799 11.554 1.00 0.00 ATOM 165 O THR 21 4.274 -12.061 8.110 1.00 0.00 ATOM 166 C THR 21 5.219 -12.778 8.463 1.00 0.00 ATOM 167 N ILE 22 6.236 -13.079 7.650 1.00 0.00 ATOM 168 CA ILE 22 6.245 -12.735 6.253 1.00 0.00 ATOM 169 CB ILE 22 6.872 -11.308 6.026 1.00 0.00 ATOM 170 CG1 ILE 22 6.741 -10.881 4.555 1.00 0.00 ATOM 171 CG2 ILE 22 8.317 -11.286 6.490 1.00 0.00 ATOM 172 CD1 ILE 22 7.175 -9.448 4.287 1.00 0.00 ATOM 173 O ILE 22 8.027 -14.307 5.855 1.00 0.00 ATOM 174 C ILE 22 6.971 -13.821 5.449 1.00 0.00 ATOM 175 N THR 23 6.373 -14.230 4.337 1.00 0.00 ATOM 176 CA THR 23 6.982 -15.233 3.476 1.00 0.00 ATOM 177 CB THR 23 5.927 -16.167 2.868 1.00 0.00 ATOM 178 CG2 THR 23 6.587 -17.159 1.938 1.00 0.00 ATOM 179 OG1 THR 23 5.288 -16.871 3.964 1.00 0.00 ATOM 180 O THR 23 7.135 -13.615 1.704 1.00 0.00 ATOM 181 C THR 23 7.725 -14.448 2.408 1.00 0.00 ATOM 182 N ILE 24 9.032 -14.667 2.337 1.00 0.00 ATOM 183 CA ILE 24 9.967 -13.964 1.459 1.00 0.00 ATOM 184 CB ILE 24 11.080 -13.260 2.249 1.00 0.00 ATOM 185 CG1 ILE 24 10.416 -12.290 3.221 1.00 0.00 ATOM 186 CG2 ILE 24 12.047 -12.597 1.256 1.00 0.00 ATOM 187 CD1 ILE 24 11.418 -11.502 4.027 1.00 0.00 ATOM 188 O ILE 24 11.074 -16.033 0.899 1.00 0.00 ATOM 189 C ILE 24 10.723 -14.910 0.527 1.00 0.00 ATOM 190 N ASP 25 10.944 -14.435 -0.706 1.00 0.00 ATOM 191 CA ASP 25 11.655 -15.234 -1.707 1.00 0.00 ATOM 192 CB ASP 25 10.751 -16.176 -2.507 1.00 0.00 ATOM 193 CG ASP 25 11.506 -17.352 -3.092 1.00 0.00 ATOM 194 OD1 ASP 25 12.750 -17.380 -2.969 1.00 0.00 ATOM 195 OD2 ASP 25 10.857 -18.248 -3.672 1.00 0.00 ATOM 196 O ASP 25 12.213 -13.061 -2.633 1.00 0.00 ATOM 197 C ASP 25 12.363 -14.296 -2.669 1.00 0.00 ATOM 198 N LYS 26 13.161 -14.852 -3.586 1.00 0.00 ATOM 199 CA LYS 26 13.914 -13.995 -4.491 1.00 0.00 ATOM 200 CB LYS 26 14.814 -14.834 -5.398 1.00 0.00 ATOM 201 CG LYS 26 15.987 -15.482 -4.681 1.00 0.00 ATOM 202 CD LYS 26 16.839 -16.298 -5.639 1.00 0.00 ATOM 203 CE LYS 26 17.998 -16.965 -4.918 1.00 0.00 ATOM 204 NZ LYS 26 18.823 -17.794 -5.838 1.00 0.00 ATOM 205 O LYS 26 13.199 -11.950 -5.538 1.00 0.00 ATOM 206 C LYS 26 12.973 -13.150 -5.350 1.00 0.00 ATOM 207 N LEU 27 11.934 -13.806 -5.699 1.00 0.00 ATOM 208 CA LEU 27 10.880 -13.141 -6.449 1.00 0.00 ATOM 209 CB LEU 27 9.875 -14.151 -7.005 1.00 0.00 ATOM 210 CG LEU 27 10.379 -15.062 -8.127 1.00 0.00 ATOM 211 CD1 LEU 27 9.347 -16.130 -8.457 1.00 0.00 ATOM 212 CD2 LEU 27 10.655 -14.259 -9.388 1.00 0.00 ATOM 213 O LEU 27 9.803 -11.034 -6.100 1.00 0.00 ATOM 214 C LEU 27 10.151 -12.107 -5.604 1.00 0.00 ATOM 215 N ASP 28 9.885 -12.381 -4.239 1.00 0.00 ATOM 216 CA ASP 28 9.223 -11.436 -3.324 1.00 0.00 ATOM 217 CB ASP 28 8.972 -11.962 -1.910 1.00 0.00 ATOM 218 CG ASP 28 7.898 -13.031 -1.867 1.00 0.00 ATOM 219 OD1 ASP 28 7.185 -13.199 -2.880 1.00 0.00 ATOM 220 OD2 ASP 28 7.768 -13.702 -0.823 1.00 0.00 ATOM 221 O ASP 28 9.476 -9.050 -3.370 1.00 0.00 ATOM 222 C ASP 28 10.020 -10.151 -3.210 1.00 0.00 ATOM 223 N GLU 29 11.352 -10.286 -2.990 1.00 0.00 ATOM 224 CA GLU 29 12.228 -9.134 -2.878 1.00 0.00 ATOM 225 CB GLU 29 13.673 -9.581 -2.649 1.00 0.00 ATOM 226 CG GLU 29 14.656 -8.434 -2.474 1.00 0.00 ATOM 227 CD GLU 29 16.070 -8.914 -2.214 1.00 0.00 ATOM 228 OE1 GLU 29 16.279 -10.144 -2.159 1.00 0.00 ATOM 229 OE2 GLU 29 16.970 -8.059 -2.067 1.00 0.00 ATOM 230 O GLU 29 12.126 -7.037 -4.118 1.00 0.00 ATOM 231 C GLU 29 12.194 -8.283 -4.141 1.00 0.00 ATOM 232 N GLU 30 12.162 -9.137 -5.221 1.00 0.00 ATOM 233 CA GLU 30 12.140 -8.427 -6.522 1.00 0.00 ATOM 234 CB GLU 30 12.277 -9.420 -7.676 1.00 0.00 ATOM 235 CG GLU 30 13.659 -10.045 -7.797 1.00 0.00 ATOM 236 CD GLU 30 13.725 -11.113 -8.872 1.00 0.00 ATOM 237 OE1 GLU 30 12.672 -11.417 -9.472 1.00 0.00 ATOM 238 OE2 GLU 30 14.828 -11.645 -9.112 1.00 0.00 ATOM 239 O GLU 30 10.836 -6.540 -7.175 1.00 0.00 ATOM 240 C GLU 30 10.849 -7.663 -6.681 1.00 0.00 ATOM 241 N ASP 31 9.727 -8.274 -6.294 1.00 0.00 ATOM 242 CA ASP 31 8.421 -7.658 -6.473 1.00 0.00 ATOM 243 CB ASP 31 7.315 -8.619 -6.030 1.00 0.00 ATOM 244 CG ASP 31 7.085 -9.742 -7.021 1.00 0.00 ATOM 245 OD1 ASP 31 7.603 -9.648 -8.154 1.00 0.00 ATOM 246 OD2 ASP 31 6.385 -10.713 -6.667 1.00 0.00 ATOM 247 O ASP 31 7.737 -5.382 -6.097 1.00 0.00 ATOM 248 C ASP 31 8.269 -6.388 -5.634 1.00 0.00 ATOM 249 N PHE 32 8.736 -6.434 -4.377 1.00 0.00 ATOM 250 CA PHE 32 8.681 -5.286 -3.486 1.00 0.00 ATOM 251 CB PHE 32 9.212 -5.608 -2.088 1.00 0.00 ATOM 252 CG PHE 32 8.217 -6.305 -1.205 1.00 0.00 ATOM 253 CD1 PHE 32 8.265 -7.676 -1.033 1.00 0.00 ATOM 254 CD2 PHE 32 7.234 -5.587 -0.547 1.00 0.00 ATOM 255 CE1 PHE 32 7.349 -8.318 -0.220 1.00 0.00 ATOM 256 CE2 PHE 32 6.317 -6.229 0.265 1.00 0.00 ATOM 257 CZ PHE 32 6.372 -7.588 0.431 1.00 0.00 ATOM 258 O PHE 32 9.120 -3.003 -4.157 1.00 0.00 ATOM 259 C PHE 32 9.540 -4.153 -4.079 1.00 0.00 ATOM 260 N CYS 33 10.746 -4.472 -4.534 1.00 0.00 ATOM 261 CA CYS 33 11.570 -3.461 -5.141 1.00 0.00 ATOM 262 CB CYS 33 12.901 -4.060 -5.600 1.00 0.00 ATOM 263 SG CYS 33 14.001 -4.556 -4.254 1.00 0.00 ATOM 264 O CYS 33 10.932 -1.632 -6.579 1.00 0.00 ATOM 265 C CYS 33 10.887 -2.846 -6.351 1.00 0.00 ATOM 266 N LEU 34 10.191 -3.686 -7.147 1.00 0.00 ATOM 267 CA LEU 34 9.484 -3.169 -8.333 1.00 0.00 ATOM 268 CB LEU 34 8.880 -4.320 -9.139 1.00 0.00 ATOM 269 CG LEU 34 9.870 -5.235 -9.863 1.00 0.00 ATOM 270 CD1 LEU 34 9.153 -6.431 -10.470 1.00 0.00 ATOM 271 CD2 LEU 34 10.575 -4.486 -10.984 1.00 0.00 ATOM 272 O LEU 34 8.094 -1.215 -8.637 1.00 0.00 ATOM 273 C LEU 34 8.345 -2.222 -7.964 1.00 0.00 ATOM 274 N LYS 35 7.643 -2.656 -6.986 1.00 0.00 ATOM 275 CA LYS 35 6.528 -1.867 -6.574 1.00 0.00 ATOM 276 CB LYS 35 5.845 -2.496 -5.358 1.00 0.00 ATOM 277 CG LYS 35 5.114 -3.794 -5.659 1.00 0.00 ATOM 278 CD LYS 35 4.472 -4.368 -4.406 1.00 0.00 ATOM 279 CE LYS 35 3.783 -5.690 -4.696 1.00 0.00 ATOM 280 NZ LYS 35 3.161 -6.274 -3.475 1.00 0.00 ATOM 281 O LYS 35 6.310 0.510 -6.557 1.00 0.00 ATOM 282 C LYS 35 6.964 -0.467 -6.199 1.00 0.00 ATOM 283 N LEU 36 8.016 -0.389 -5.373 1.00 0.00 ATOM 284 CA LEU 36 8.512 0.937 -4.995 1.00 0.00 ATOM 285 CB LEU 36 9.630 0.775 -3.884 1.00 0.00 ATOM 286 CG LEU 36 9.195 0.081 -2.592 1.00 0.00 ATOM 287 CD1 LEU 36 10.405 -0.019 -1.659 1.00 0.00 ATOM 288 CD2 LEU 36 8.038 0.800 -1.906 1.00 0.00 ATOM 289 O LEU 36 8.774 2.951 -6.186 1.00 0.00 ATOM 290 C LEU 36 9.013 1.762 -6.164 1.00 0.00 ATOM 291 N GLU 37 9.634 1.116 -7.151 1.00 0.00 ATOM 292 CA GLU 37 10.056 1.802 -8.360 1.00 0.00 ATOM 293 CB GLU 37 10.914 0.905 -9.253 1.00 0.00 ATOM 294 CG GLU 37 12.288 0.592 -8.682 1.00 0.00 ATOM 295 CD GLU 37 13.062 -0.396 -9.532 1.00 0.00 ATOM 296 OE1 GLU 37 12.496 -0.892 -10.529 1.00 0.00 ATOM 297 OE2 GLU 37 14.233 -0.677 -9.201 1.00 0.00 ATOM 298 O GLU 37 8.867 3.453 -9.642 1.00 0.00 ATOM 299 C GLU 37 8.856 2.323 -9.147 1.00 0.00 ATOM 300 N LEU 38 7.813 1.471 -9.262 1.00 0.00 ATOM 301 CA LEU 38 6.601 1.851 -9.986 1.00 0.00 ATOM 302 CB LEU 38 5.614 0.707 -10.069 1.00 0.00 ATOM 303 CG LEU 38 6.033 -0.427 -11.015 1.00 0.00 ATOM 304 CD1 LEU 38 5.103 -1.621 -10.867 1.00 0.00 ATOM 305 CD2 LEU 38 6.013 0.088 -12.445 1.00 0.00 ATOM 306 O LEU 38 5.456 4.021 -9.932 1.00 0.00 ATOM 307 C LEU 38 5.973 3.084 -9.313 1.00 0.00 ATOM 308 N ARG 39 6.069 3.612 -7.972 1.00 0.00 ATOM 309 CA ARG 39 5.444 4.758 -7.308 1.00 0.00 ATOM 310 CB ARG 39 4.981 5.737 -8.520 1.00 0.00 ATOM 311 CG ARG 39 3.914 5.126 -9.418 1.00 0.00 ATOM 312 CD ARG 39 2.520 5.206 -8.819 1.00 0.00 ATOM 313 NE ARG 39 1.605 4.267 -9.466 1.00 0.00 ATOM 314 CZ ARG 39 0.301 4.195 -9.218 1.00 0.00 ATOM 315 NH1 ARG 39 -0.259 5.012 -8.332 1.00 0.00 ATOM 316 NH2 ARG 39 -0.443 3.293 -9.848 1.00 0.00 ATOM 317 O ARG 39 4.184 5.364 -5.392 1.00 0.00 ATOM 318 C ARG 39 4.712 4.450 -6.040 1.00 0.00 ATOM 319 N LEU 40 4.604 3.173 -5.680 1.00 0.00 ATOM 320 CA LEU 40 3.940 2.835 -4.456 1.00 0.00 ATOM 321 CB LEU 40 3.782 1.319 -4.333 1.00 0.00 ATOM 322 CG LEU 40 2.859 0.648 -5.352 1.00 0.00 ATOM 323 CD1 LEU 40 2.895 -0.865 -5.197 1.00 0.00 ATOM 324 CD2 LEU 40 1.423 1.111 -5.161 1.00 0.00 ATOM 325 O LEU 40 6.015 3.562 -3.545 1.00 0.00 ATOM 326 C LEU 40 4.798 3.506 -3.403 1.00 0.00 ATOM 327 N GLU 41 4.155 4.047 -2.369 1.00 0.00 ATOM 328 CA GLU 41 4.845 4.598 -1.216 1.00 0.00 ATOM 329 CB GLU 41 4.022 5.583 -0.383 1.00 0.00 ATOM 330 CG GLU 41 3.668 6.868 -1.115 1.00 0.00 ATOM 331 CD GLU 41 2.899 7.842 -0.242 1.00 0.00 ATOM 332 OE1 GLU 41 2.614 7.498 0.922 1.00 0.00 ATOM 333 OE2 GLU 41 2.583 8.950 -0.725 1.00 0.00 ATOM 334 O GLU 41 4.709 2.498 -0.102 1.00 0.00 ATOM 335 C GLU 41 5.341 3.518 -0.271 1.00 0.00 ATOM 336 N ASP 42 6.401 3.854 0.505 1.00 0.00 ATOM 337 CA ASP 42 6.856 2.995 1.568 1.00 0.00 ATOM 338 CB ASP 42 8.100 3.583 2.238 1.00 0.00 ATOM 339 CG ASP 42 9.336 3.473 1.367 1.00 0.00 ATOM 340 OD1 ASP 42 9.289 2.739 0.358 1.00 0.00 ATOM 341 OD2 ASP 42 10.353 4.123 1.695 1.00 0.00 ATOM 342 O ASP 42 5.668 1.721 3.241 1.00 0.00 ATOM 343 C ASP 42 5.789 2.803 2.659 1.00 0.00 ATOM 344 N GLY 43 5.056 3.871 2.888 1.00 0.00 ATOM 345 CA GLY 43 4.020 3.828 3.910 1.00 0.00 ATOM 346 O GLY 43 2.398 2.017 4.219 1.00 0.00 ATOM 347 C GLY 43 2.904 2.839 3.467 1.00 0.00 ATOM 348 N THR 44 2.460 2.901 2.121 1.00 0.00 ATOM 349 CA THR 44 1.412 1.993 1.606 1.00 0.00 ATOM 350 CB THR 44 1.523 1.899 -0.030 1.00 0.00 ATOM 351 CG2 THR 44 0.200 1.582 -0.766 1.00 0.00 ATOM 352 OG1 THR 44 2.127 3.058 -0.616 1.00 0.00 ATOM 353 O THR 44 1.087 -0.378 1.919 1.00 0.00 ATOM 354 C THR 44 1.868 0.532 1.613 1.00 0.00 ATOM 355 N LEU 45 3.149 0.335 1.334 1.00 0.00 ATOM 356 CA LEU 45 3.736 -0.996 1.354 1.00 0.00 ATOM 357 CB LEU 45 5.177 -1.003 0.839 1.00 0.00 ATOM 358 CG LEU 45 5.879 -2.362 0.807 1.00 0.00 ATOM 359 CD1 LEU 45 5.138 -3.329 -0.103 1.00 0.00 ATOM 360 CD2 LEU 45 7.303 -2.218 0.288 1.00 0.00 ATOM 361 O LEU 45 3.381 -2.678 3.062 1.00 0.00 ATOM 362 C LEU 45 3.739 -1.529 2.804 1.00 0.00 ATOM 363 N ILE 46 4.118 -0.723 3.735 1.00 0.00 ATOM 364 CA ILE 46 4.110 -1.157 5.119 1.00 0.00 ATOM 365 CB ILE 46 4.717 -0.108 6.071 1.00 0.00 ATOM 366 CG1 ILE 46 6.189 0.123 5.679 1.00 0.00 ATOM 367 CG2 ILE 46 4.600 -0.504 7.535 1.00 0.00 ATOM 368 CD1 ILE 46 6.833 1.340 6.310 1.00 0.00 ATOM 369 O ILE 46 2.497 -2.592 6.234 1.00 0.00 ATOM 370 C ILE 46 2.714 -1.585 5.531 1.00 0.00 ATOM 371 N ASN 47 1.701 -0.698 5.047 1.00 0.00 ATOM 372 CA ASN 47 0.339 -0.963 5.492 1.00 0.00 ATOM 373 CB ASN 47 -0.578 0.178 5.047 1.00 0.00 ATOM 374 CG ASN 47 -0.332 1.467 5.797 1.00 0.00 ATOM 375 ND2 ASN 47 -1.000 2.544 5.366 1.00 0.00 ATOM 376 OD1 ASN 47 0.443 1.495 6.734 1.00 0.00 ATOM 377 O ASN 47 -0.866 -3.019 5.697 1.00 0.00 ATOM 378 C ASN 47 -0.169 -2.294 4.974 1.00 0.00 ATOM 379 N ALA 48 0.158 -2.598 3.724 1.00 0.00 ATOM 380 CA ALA 48 -0.309 -3.847 3.136 1.00 0.00 ATOM 381 CB ALA 48 -0.020 -3.957 1.699 1.00 0.00 ATOM 382 O ALA 48 -0.266 -6.079 4.061 1.00 0.00 ATOM 383 C ALA 48 0.358 -5.053 3.806 1.00 0.00 ATOM 384 N ILE 49 1.659 -4.960 4.041 1.00 0.00 ATOM 385 CA ILE 49 2.407 -6.052 4.681 1.00 0.00 ATOM 386 CB ILE 49 3.906 -5.823 4.727 1.00 0.00 ATOM 387 CG1 ILE 49 4.502 -5.806 3.334 1.00 0.00 ATOM 388 CG2 ILE 49 4.594 -6.875 5.611 1.00 0.00 ATOM 389 CD1 ILE 49 5.940 -5.255 3.279 1.00 0.00 ATOM 390 O ILE 49 1.531 -7.437 6.435 1.00 0.00 ATOM 391 C ILE 49 1.788 -6.305 6.053 1.00 0.00 ATOM 392 N GLY 50 2.122 -4.558 7.005 1.00 0.00 ATOM 393 CA GLY 50 1.928 -4.365 8.435 1.00 0.00 ATOM 394 O GLY 50 2.973 -4.491 10.591 1.00 0.00 ATOM 395 C GLY 50 3.130 -4.312 9.370 1.00 0.00 ATOM 396 N HIS 51 4.295 -4.097 8.816 1.00 0.00 ATOM 397 CA HIS 51 5.533 -4.023 9.653 1.00 0.00 ATOM 398 CB HIS 51 6.761 -3.790 8.770 1.00 0.00 ATOM 399 CG HIS 51 7.154 -4.981 7.956 1.00 0.00 ATOM 400 CD2 HIS 51 7.232 -5.287 6.534 1.00 0.00 ATOM 401 ND1 HIS 51 7.572 -6.166 8.521 1.00 0.00 ATOM 402 CE1 HIS 51 7.855 -7.045 7.542 1.00 0.00 ATOM 403 NE2 HIS 51 7.652 -6.524 6.348 1.00 0.00 ATOM 404 O HIS 51 5.814 -3.052 11.854 1.00 0.00 ATOM 405 C HIS 51 5.407 -2.856 10.655 1.00 0.00 ATOM 406 N ASP 52 4.925 -1.722 10.283 1.00 0.00 ATOM 407 CA ASP 52 4.815 -0.576 11.164 1.00 0.00 ATOM 408 CB ASP 52 4.208 0.615 10.419 1.00 0.00 ATOM 409 CG ASP 52 5.173 1.235 9.428 1.00 0.00 ATOM 410 OD1 ASP 52 6.375 0.903 9.482 1.00 0.00 ATOM 411 OD2 ASP 52 4.726 2.054 8.597 1.00 0.00 ATOM 412 O ASP 52 4.214 -0.521 13.510 1.00 0.00 ATOM 413 C ASP 52 3.913 -0.889 12.361 1.00 0.00 ATOM 414 N SER 53 2.780 -1.556 12.136 1.00 0.00 ATOM 415 CA SER 53 1.856 -1.857 13.226 1.00 0.00 ATOM 416 CB SER 53 0.549 -2.431 12.676 1.00 0.00 ATOM 417 OG SER 53 -0.153 -1.461 11.918 1.00 0.00 ATOM 418 O SER 53 2.330 -2.693 15.451 1.00 0.00 ATOM 419 C SER 53 2.457 -2.859 14.221 1.00 0.00 ATOM 420 N THR 54 3.073 -3.891 13.701 1.00 0.00 ATOM 421 CA THR 54 3.728 -4.897 14.544 1.00 0.00 ATOM 422 CB THR 54 4.352 -6.026 13.702 1.00 0.00 ATOM 423 CG2 THR 54 5.054 -7.034 14.602 1.00 0.00 ATOM 424 OG1 THR 54 3.327 -6.700 12.963 1.00 0.00 ATOM 425 O THR 54 4.901 -4.534 16.607 1.00 0.00 ATOM 426 C THR 54 4.842 -4.212 15.365 1.00 0.00 ATOM 427 N ILE 55 5.498 -3.289 14.805 1.00 0.00 ATOM 428 CA ILE 55 6.574 -2.569 15.489 1.00 0.00 ATOM 429 CB ILE 55 7.356 -1.666 14.518 1.00 0.00 ATOM 430 CG1 ILE 55 8.062 -2.512 13.454 1.00 0.00 ATOM 431 CG2 ILE 55 8.406 -0.861 15.267 1.00 0.00 ATOM 432 CD1 ILE 55 9.087 -3.469 14.018 1.00 0.00 ATOM 433 O ILE 55 6.547 -1.643 17.707 1.00 0.00 ATOM 434 C ILE 55 6.018 -1.681 16.598 1.00 0.00 ATOM 435 N ASN 56 4.913 -0.994 16.318 1.00 0.00 ATOM 436 CA ASN 56 4.284 -0.125 17.304 1.00 0.00 ATOM 437 CB ASN 56 3.061 0.596 16.732 1.00 0.00 ATOM 438 CG ASN 56 3.436 1.736 15.807 1.00 0.00 ATOM 439 ND2 ASN 56 2.494 2.154 14.970 1.00 0.00 ATOM 440 OD1 ASN 56 4.562 2.236 15.848 1.00 0.00 ATOM 441 O ASN 56 3.892 -0.526 19.662 1.00 0.00 ATOM 442 C ASN 56 3.811 -0.936 18.479 1.00 0.00 ATOM 443 N LEU 57 3.132 -2.038 18.151 1.00 0.00 ATOM 444 CA LEU 57 2.651 -2.932 19.194 1.00 0.00 ATOM 445 CB LEU 57 1.960 -4.150 18.576 1.00 0.00 ATOM 446 CG LEU 57 1.417 -5.190 19.558 1.00 0.00 ATOM 447 CD1 LEU 57 0.351 -4.579 20.454 1.00 0.00 ATOM 448 CD2 LEU 57 0.796 -6.362 18.812 1.00 0.00 ATOM 449 O LEU 57 3.685 -3.474 21.297 1.00 0.00 ATOM 450 C LEU 57 3.799 -3.439 20.075 1.00 0.00 ATOM 451 N VAL 58 4.917 -3.843 19.459 1.00 0.00 ATOM 452 CA VAL 58 6.068 -4.328 20.216 1.00 0.00 ATOM 453 CB VAL 58 7.209 -4.814 19.303 1.00 0.00 ATOM 454 CG1 VAL 58 8.445 -5.143 20.123 1.00 0.00 ATOM 455 CG2 VAL 58 6.788 -6.064 18.545 1.00 0.00 ATOM 456 O VAL 58 7.010 -3.554 22.275 1.00 0.00 ATOM 457 C VAL 58 6.651 -3.253 21.132 1.00 0.00 ATOM 458 N ASN 59 6.709 -2.022 20.601 1.00 0.00 ATOM 459 CA ASN 59 7.161 -0.857 21.357 1.00 0.00 ATOM 460 CB ASN 59 7.212 0.396 20.461 1.00 0.00 ATOM 461 CG ASN 59 8.361 0.392 19.481 1.00 0.00 ATOM 462 ND2 ASN 59 8.211 1.196 18.427 1.00 0.00 ATOM 463 OD1 ASN 59 9.372 -0.268 19.678 1.00 0.00 ATOM 464 O ASN 59 6.707 -0.254 23.635 1.00 0.00 ATOM 465 C ASN 59 6.251 -0.590 22.545 1.00 0.00 ATOM 466 N THR 60 4.935 -0.653 22.334 1.00 0.00 ATOM 467 CA THR 60 4.015 -0.434 23.455 1.00 0.00 ATOM 468 CB THR 60 2.549 -0.402 22.984 1.00 0.00 ATOM 469 CG2 THR 60 1.615 -0.214 24.168 1.00 0.00 ATOM 470 OG1 THR 60 2.363 0.683 22.067 1.00 0.00 ATOM 471 O THR 60 3.996 -1.288 25.718 1.00 0.00 ATOM 472 C THR 60 4.127 -1.531 24.500 1.00 0.00 ATOM 473 N LEU 61 4.301 -2.784 24.019 1.00 0.00 ATOM 474 CA LEU 61 4.460 -3.900 24.917 1.00 0.00 ATOM 475 CB LEU 61 4.685 -5.193 24.128 1.00 0.00 ATOM 476 CG LEU 61 4.887 -6.463 24.954 1.00 0.00 ATOM 477 CD1 LEU 61 3.657 -6.758 25.800 1.00 0.00 ATOM 478 CD2 LEU 61 5.139 -7.659 24.049 1.00 0.00 ATOM 479 O LEU 61 5.629 -3.599 26.988 1.00 0.00 ATOM 480 C LEU 61 5.693 -3.575 25.763 1.00 0.00 ATOM 481 N CYS 62 6.932 -3.233 25.175 1.00 0.00 ATOM 482 CA CYS 62 8.166 -2.908 25.869 1.00 0.00 ATOM 483 CB CYS 62 9.351 -2.995 24.907 1.00 0.00 ATOM 484 SG CYS 62 9.701 -4.660 24.299 1.00 0.00 ATOM 485 O CYS 62 8.873 -1.092 27.278 1.00 0.00 ATOM 486 C CYS 62 8.080 -1.488 26.420 1.00 0.00 ATOM 487 N GLY 63 7.026 -0.786 26.014 1.00 0.00 ATOM 488 CA GLY 63 6.766 0.592 26.407 1.00 0.00 ATOM 489 O GLY 63 8.127 2.554 26.516 1.00 0.00 ATOM 490 C GLY 63 7.829 1.543 25.879 1.00 0.00 ATOM 491 N THR 64 8.402 1.250 24.732 1.00 0.00 ATOM 492 CA THR 64 9.420 2.128 24.162 1.00 0.00 ATOM 493 CB THR 64 10.699 1.304 23.925 1.00 0.00 ATOM 494 CG2 THR 64 11.129 0.607 25.207 1.00 0.00 ATOM 495 OG1 THR 64 10.456 0.316 22.918 1.00 0.00 ATOM 496 O THR 64 7.940 3.462 22.829 1.00 0.00 ATOM 497 C THR 64 9.077 2.945 22.939 1.00 0.00 ATOM 498 N GLN 65 10.129 3.139 22.042 1.00 0.00 ATOM 499 CA GLN 65 9.885 3.988 20.890 1.00 0.00 ATOM 500 CB GLN 65 10.708 5.251 20.894 1.00 0.00 ATOM 501 CG GLN 65 10.402 6.119 22.039 1.00 0.00 ATOM 502 CD GLN 65 9.000 6.579 22.085 1.00 0.00 ATOM 503 OE1 GLN 65 8.270 6.583 21.090 1.00 0.00 ATOM 504 NE2 GLN 65 8.605 7.025 23.264 1.00 0.00 ATOM 505 O GLN 65 11.043 2.239 19.740 1.00 0.00 ATOM 506 C GLN 65 10.209 3.134 19.671 1.00 0.00 ATOM 507 N LEU 66 9.503 3.375 18.571 1.00 0.00 ATOM 508 CA LEU 66 9.764 2.625 17.349 1.00 0.00 ATOM 509 CB LEU 66 8.471 2.007 16.813 1.00 0.00 ATOM 510 CG LEU 66 8.582 1.237 15.496 1.00 0.00 ATOM 511 CD1 LEU 66 9.431 -0.013 15.673 1.00 0.00 ATOM 512 CD2 LEU 66 7.209 0.813 15.002 1.00 0.00 ATOM 513 O LEU 66 9.298 3.759 15.300 1.00 0.00 ATOM 514 C LEU 66 10.160 3.331 16.069 1.00 0.00 ATOM 515 N GLN 67 11.448 3.260 15.779 1.00 0.00 ATOM 516 CA GLN 67 12.008 3.922 14.624 1.00 0.00 ATOM 517 CB GLN 67 13.518 3.972 14.867 1.00 0.00 ATOM 518 CG GLN 67 14.260 4.946 13.966 1.00 0.00 ATOM 519 CD GLN 67 14.544 4.369 12.593 1.00 0.00 ATOM 520 OE1 GLN 67 14.880 3.193 12.461 1.00 0.00 ATOM 521 NE2 GLN 67 14.407 5.199 11.565 1.00 0.00 ATOM 522 O GLN 67 11.794 1.982 13.218 1.00 0.00 ATOM 523 C GLN 67 11.652 3.192 13.325 1.00 0.00 ATOM 524 N LYS 68 11.173 4.021 12.300 1.00 0.00 ATOM 525 CA LYS 68 10.679 3.420 11.054 1.00 0.00 ATOM 526 CB LYS 68 9.338 4.010 10.613 1.00 0.00 ATOM 527 CG LYS 68 8.164 3.607 11.492 1.00 0.00 ATOM 528 CD LYS 68 6.870 4.246 11.011 1.00 0.00 ATOM 529 CE LYS 68 5.699 3.856 11.899 1.00 0.00 ATOM 530 NZ LYS 68 4.431 4.493 11.454 1.00 0.00 ATOM 531 O LYS 68 12.143 4.821 9.770 1.00 0.00 ATOM 532 C LYS 68 11.679 3.693 9.941 1.00 0.00 ATOM 533 N ASN 69 11.990 2.653 9.173 1.00 0.00 ATOM 534 CA ASN 69 12.920 2.758 8.060 1.00 0.00 ATOM 535 CB ASN 69 14.361 2.819 8.571 1.00 0.00 ATOM 536 CG ASN 69 14.738 1.607 9.399 1.00 0.00 ATOM 537 ND2 ASN 69 15.214 1.846 10.615 1.00 0.00 ATOM 538 OD1 ASN 69 14.602 0.469 8.949 1.00 0.00 ATOM 539 O ASN 69 12.049 0.592 7.509 1.00 0.00 ATOM 540 C ASN 69 12.758 1.533 7.157 1.00 0.00 ATOM 541 N ARG 70 13.496 1.497 6.051 1.00 0.00 ATOM 542 CA ARG 70 13.413 0.369 5.130 1.00 0.00 ATOM 543 CB ARG 70 12.656 0.002 4.190 1.00 0.00 ATOM 544 CG ARG 70 12.250 0.899 3.035 1.00 0.00 ATOM 545 CD ARG 70 11.095 0.304 2.241 1.00 0.00 ATOM 546 NE ARG 70 11.463 -0.846 1.413 1.00 0.00 ATOM 547 CZ ARG 70 10.598 -1.750 0.960 1.00 0.00 ATOM 548 NH1 ARG 70 9.303 -1.645 1.252 1.00 0.00 ATOM 549 NH2 ARG 70 11.015 -2.777 0.228 1.00 0.00 ATOM 550 O ARG 70 15.733 0.838 4.567 1.00 0.00 ATOM 551 C ARG 70 14.788 0.024 4.527 1.00 0.00 ATOM 552 N VAL 71 14.915 -1.302 3.912 1.00 0.00 ATOM 553 CA VAL 71 16.173 -1.616 3.249 1.00 0.00 ATOM 554 CB VAL 71 16.187 -3.040 2.663 1.00 0.00 ATOM 555 CG1 VAL 71 17.448 -3.265 1.840 1.00 0.00 ATOM 556 CG2 VAL 71 16.149 -4.075 3.777 1.00 0.00 ATOM 557 O VAL 71 17.612 -0.219 1.929 1.00 0.00 ATOM 558 C VAL 71 16.481 -0.667 2.089 1.00 0.00 ATOM 559 N GLU 72 15.471 -0.341 1.306 1.00 0.00 ATOM 560 CA GLU 72 15.622 0.551 0.160 1.00 0.00 ATOM 561 CB GLU 72 14.303 0.739 -0.591 1.00 0.00 ATOM 562 CG GLU 72 14.407 1.637 -1.814 1.00 0.00 ATOM 563 CD GLU 72 13.097 1.749 -2.569 1.00 0.00 ATOM 564 OE1 GLU 72 12.113 1.104 -2.148 1.00 0.00 ATOM 565 OE2 GLU 72 13.054 2.480 -3.580 1.00 0.00 ATOM 566 O GLU 72 16.917 2.548 -0.142 1.00 0.00 ATOM 567 C GLU 72 16.094 1.952 0.549 1.00 0.00 ATOM 568 N VAL 73 15.569 2.472 1.653 1.00 0.00 ATOM 569 CA VAL 73 15.926 3.805 2.126 1.00 0.00 ATOM 570 CB VAL 73 15.097 4.170 3.379 1.00 0.00 ATOM 571 CG1 VAL 73 15.715 5.414 4.085 1.00 0.00 ATOM 572 CG2 VAL 73 13.635 4.350 3.062 1.00 0.00 ATOM 573 O VAL 73 18.102 4.817 1.990 1.00 0.00 ATOM 574 C VAL 73 17.406 3.929 2.481 1.00 0.00 ATOM 575 N LYS 74 17.426 2.892 3.601 1.00 0.00 ATOM 576 CA LYS 74 18.833 2.796 3.967 1.00 0.00 ATOM 577 CB LYS 74 19.003 1.990 5.301 1.00 0.00 ATOM 578 CG LYS 74 17.872 1.747 6.247 1.00 0.00 ATOM 579 CD LYS 74 18.261 0.978 7.501 1.00 0.00 ATOM 580 CE LYS 74 18.072 1.836 8.743 1.00 0.00 ATOM 581 NZ LYS 74 18.022 1.034 10.013 1.00 0.00 ATOM 582 O LYS 74 19.716 1.192 2.418 1.00 0.00 ATOM 583 C LYS 74 19.658 2.373 2.758 1.00 0.00 ATOM 584 N MET 75 20.183 3.497 2.021 1.00 0.00 ATOM 585 CA MET 75 20.969 3.262 0.811 1.00 0.00 ATOM 586 CB MET 75 21.000 4.364 -0.138 1.00 0.00 ATOM 587 CG MET 75 19.627 4.677 -0.702 1.00 0.00 ATOM 588 SD MET 75 19.744 5.775 -2.137 1.00 0.00 ATOM 589 CE MET 75 19.948 7.385 -1.339 1.00 0.00 ATOM 590 O MET 75 23.062 2.086 0.777 1.00 0.00 ATOM 591 C MET 75 22.456 3.103 1.110 1.00 0.00 ATOM 592 N ASN 76 23.055 4.141 1.684 1.00 0.00 ATOM 593 CA ASN 76 24.476 4.120 2.005 1.00 0.00 ATOM 594 CB ASN 76 25.126 5.459 1.650 1.00 0.00 ATOM 595 CG ASN 76 25.174 5.705 0.156 1.00 0.00 ATOM 596 ND2 ASN 76 25.184 6.973 -0.235 1.00 0.00 ATOM 597 OD1 ASN 76 25.205 4.763 -0.637 1.00 0.00 ATOM 598 O ASN 76 23.757 3.830 4.248 1.00 0.00 ATOM 599 C ASN 76 24.727 3.865 3.490 1.00 0.00 ATOM 600 N GLU 77 25.851 3.222 3.793 1.00 0.00 ATOM 601 CA GLU 77 26.210 2.903 5.171 1.00 0.00 ATOM 602 CB GLU 77 27.669 2.451 5.255 1.00 0.00 ATOM 603 CG GLU 77 28.086 1.948 6.627 1.00 0.00 ATOM 604 CD GLU 77 29.507 1.420 6.647 1.00 0.00 ATOM 605 OE1 GLU 77 30.176 1.477 5.594 1.00 0.00 ATOM 606 OE2 GLU 77 29.951 0.950 7.714 1.00 0.00 ATOM 607 O GLU 77 25.891 3.914 7.320 1.00 0.00 ATOM 608 C GLU 77 26.048 4.091 6.111 1.00 0.00 ATOM 609 N GLY 78 26.140 5.298 5.564 1.00 0.00 ATOM 610 CA GLY 78 25.997 6.486 6.384 1.00 0.00 ATOM 611 O GLY 78 24.490 7.067 8.153 1.00 0.00 ATOM 612 C GLY 78 24.627 6.578 7.032 1.00 0.00 ATOM 613 N ASP 79 23.595 6.035 6.241 1.00 0.00 ATOM 614 CA ASP 79 22.208 6.046 6.691 1.00 0.00 ATOM 615 CB ASP 79 21.278 5.560 5.578 1.00 0.00 ATOM 616 CG ASP 79 21.126 6.574 4.463 1.00 0.00 ATOM 617 OD1 ASP 79 21.539 7.737 4.654 1.00 0.00 ATOM 618 OD2 ASP 79 20.592 6.207 3.395 1.00 0.00 ATOM 619 O ASP 79 21.412 5.524 8.896 1.00 0.00 ATOM 620 C ASP 79 22.026 5.133 7.902 1.00 0.00 ATOM 621 N GLU 80 22.544 3.913 7.801 1.00 0.00 ATOM 622 CA GLU 80 22.443 2.933 8.877 1.00 0.00 ATOM 623 CB GLU 80 23.080 1.606 8.457 1.00 0.00 ATOM 624 CG GLU 80 22.966 0.505 9.498 1.00 0.00 ATOM 625 CD GLU 80 23.556 -0.809 9.023 1.00 0.00 ATOM 626 OE1 GLU 80 24.038 -0.862 7.873 1.00 0.00 ATOM 627 OE2 GLU 80 23.536 -1.785 9.803 1.00 0.00 ATOM 628 O GLU 80 22.649 3.190 11.259 1.00 0.00 ATOM 629 C GLU 80 23.131 3.427 10.150 1.00 0.00 ATOM 630 N ALA 81 24.276 4.081 9.966 1.00 0.00 ATOM 631 CA ALA 81 25.048 4.602 11.088 1.00 0.00 ATOM 632 CB ALA 81 26.342 5.238 10.606 1.00 0.00 ATOM 633 O ALA 81 24.141 5.532 13.105 1.00 0.00 ATOM 634 C ALA 81 24.279 5.650 11.887 1.00 0.00 ATOM 635 N LEU 82 23.764 6.736 11.182 1.00 0.00 ATOM 636 CA LEU 82 22.997 7.791 11.838 1.00 0.00 ATOM 637 CB LEU 82 22.406 8.749 10.801 1.00 0.00 ATOM 638 CG LEU 82 23.403 9.650 10.065 1.00 0.00 ATOM 639 CD1 LEU 82 22.708 10.424 8.956 1.00 0.00 ATOM 640 CD2 LEU 82 24.031 10.651 11.023 1.00 0.00 ATOM 641 O LEU 82 21.761 7.567 13.862 1.00 0.00 ATOM 642 C LEU 82 21.902 7.206 12.705 1.00 0.00 ATOM 643 N ILE 83 21.207 6.211 12.184 1.00 0.00 ATOM 644 CA ILE 83 20.131 5.535 12.905 1.00 0.00 ATOM 645 CB ILE 83 19.337 4.659 11.913 1.00 0.00 ATOM 646 CG1 ILE 83 18.556 5.526 10.947 1.00 0.00 ATOM 647 CG2 ILE 83 18.464 3.666 12.656 1.00 0.00 ATOM 648 CD1 ILE 83 17.846 4.755 9.838 1.00 0.00 ATOM 649 O ILE 83 20.022 4.783 15.172 1.00 0.00 ATOM 650 C ILE 83 20.597 4.698 14.093 1.00 0.00 ATOM 651 N ILE 84 21.655 3.893 13.904 1.00 0.00 ATOM 652 CA ILE 84 22.176 3.053 14.977 1.00 0.00 ATOM 653 CB ILE 84 23.389 2.227 14.510 1.00 0.00 ATOM 654 CG1 ILE 84 22.958 1.182 13.479 1.00 0.00 ATOM 655 CG2 ILE 84 24.028 1.508 15.688 1.00 0.00 ATOM 656 CD1 ILE 84 24.114 0.509 12.773 1.00 0.00 ATOM 657 O ILE 84 22.336 3.623 17.309 1.00 0.00 ATOM 658 C ILE 84 22.612 3.935 16.149 1.00 0.00 ATOM 659 N MET 85 23.324 5.086 15.729 1.00 0.00 ATOM 660 CA MET 85 23.788 6.048 16.730 1.00 0.00 ATOM 661 CB MET 85 24.512 7.214 16.056 1.00 0.00 ATOM 662 CG MET 85 25.852 6.841 15.442 1.00 0.00 ATOM 663 SD MET 85 26.613 8.207 14.545 1.00 0.00 ATOM 664 CE MET 85 27.013 9.314 15.895 1.00 0.00 ATOM 665 O MET 85 22.647 6.584 18.777 1.00 0.00 ATOM 666 C MET 85 22.639 6.633 17.545 1.00 0.00 ATOM 667 N ILE 86 21.603 7.090 16.849 1.00 0.00 ATOM 668 CA ILE 86 20.457 7.695 17.502 1.00 0.00 ATOM 669 CB ILE 86 20.407 9.215 17.264 1.00 0.00 ATOM 670 CG1 ILE 86 21.666 9.884 17.819 1.00 0.00 ATOM 671 CG2 ILE 86 19.194 9.822 17.951 1.00 0.00 ATOM 672 CD1 ILE 86 21.781 11.351 17.471 1.00 0.00 ATOM 673 O ILE 86 18.874 7.210 15.780 1.00 0.00 ATOM 674 C ILE 86 19.162 7.105 16.981 1.00 0.00 ATOM 675 N SER 87 18.394 6.475 17.872 1.00 0.00 ATOM 676 CA SER 87 17.107 5.894 17.492 1.00 0.00 ATOM 677 CB SER 87 16.738 4.745 18.433 1.00 0.00 ATOM 678 OG SER 87 17.641 3.663 18.295 1.00 0.00 ATOM 679 O SER 87 15.988 7.857 18.373 1.00 0.00 ATOM 680 C SER 87 15.971 6.932 17.550 1.00 0.00 ATOM 681 N GLN 88 15.067 6.857 16.578 1.00 0.00 ATOM 682 CA GLN 88 13.944 7.782 16.479 1.00 0.00 ATOM 683 CB GLN 88 13.333 7.710 15.056 1.00 0.00 ATOM 684 CG GLN 88 14.348 7.913 13.944 1.00 0.00 ATOM 685 CD GLN 88 14.852 9.324 13.878 1.00 0.00 ATOM 686 OE1 GLN 88 14.140 10.202 13.415 1.00 0.00 ATOM 687 NE2 GLN 88 16.055 9.565 14.387 1.00 0.00 ATOM 688 O GLN 88 12.517 6.466 17.876 1.00 0.00 ATOM 689 C GLN 88 12.950 7.587 17.626 1.00 0.00 ATOM 690 N ARG 89 12.548 8.677 18.284 1.00 0.00 ATOM 691 CA ARG 89 11.574 8.604 19.360 1.00 0.00 ATOM 692 CB ARG 89 12.165 9.121 20.653 1.00 0.00 ATOM 693 CG ARG 89 11.181 9.065 21.820 1.00 0.00 ATOM 694 CD ARG 89 11.844 9.477 23.129 1.00 0.00 ATOM 695 NE ARG 89 10.965 9.288 24.282 1.00 0.00 ATOM 696 CZ ARG 89 9.833 9.954 24.488 1.00 0.00 ATOM 697 NH1 ARG 89 9.421 10.869 23.618 1.00 0.00 ATOM 698 NH2 ARG 89 9.105 9.707 25.570 1.00 0.00 ATOM 699 O ARG 89 10.532 10.610 18.555 1.00 0.00 ATOM 700 C ARG 89 10.381 9.479 19.018 1.00 0.00 ATOM 701 N LEU 90 9.108 8.899 19.227 1.00 0.00 ATOM 702 CA LEU 90 7.872 9.616 18.968 1.00 0.00 ATOM 703 CB LEU 90 6.686 8.696 19.185 1.00 0.00 ATOM 704 CG LEU 90 5.307 9.354 19.109 1.00 0.00 ATOM 705 CD1 LEU 90 5.063 9.864 17.698 1.00 0.00 ATOM 706 CD2 LEU 90 4.237 8.351 19.507 1.00 0.00 ATOM 707 O LEU 90 7.940 10.547 21.182 1.00 0.00 ATOM 708 C LEU 90 7.799 10.765 19.976 1.00 0.00 ATOM 709 N GLU 91 7.554 11.937 19.504 1.00 0.00 ATOM 710 CA GLU 91 7.395 13.070 20.407 1.00 0.00 ATOM 711 CB GLU 91 7.313 14.379 19.619 1.00 0.00 ATOM 712 CG GLU 91 8.611 14.769 18.930 1.00 0.00 ATOM 713 CD GLU 91 8.464 16.009 18.070 1.00 0.00 ATOM 714 OE1 GLU 91 7.339 16.549 17.994 1.00 0.00 ATOM 715 OE2 GLU 91 9.472 16.441 17.473 1.00 0.00 ATOM 716 O GLU 91 6.038 13.536 22.322 1.00 0.00 ATOM 717 C GLU 91 6.161 12.888 21.288 1.00 0.00 ATOM 718 N GLU 92 5.195 11.967 20.886 1.00 0.00 ATOM 719 CA GLU 92 3.989 11.738 21.682 1.00 0.00 ATOM 720 CB GLU 92 2.818 11.286 20.809 1.00 0.00 ATOM 721 CG GLU 92 2.373 12.317 19.785 1.00 0.00 ATOM 722 CD GLU 92 1.212 11.835 18.937 1.00 0.00 ATOM 723 OE1 GLU 92 0.746 10.698 19.160 1.00 0.00 ATOM 724 OE2 GLU 92 0.768 12.595 18.051 1.00 0.00 ATOM 725 O GLU 92 3.321 10.547 23.663 1.00 0.00 ATOM 726 C GLU 92 4.170 10.693 22.767 1.00 0.00 ATOM 727 N GLY 93 5.312 10.042 22.780 1.00 0.00 ATOM 728 CA GLY 93 5.570 9.027 23.783 1.00 0.00 ATOM 729 O GLY 93 4.809 6.875 24.445 1.00 0.00 ATOM 730 C GLY 93 4.808 7.735 23.571 1.00 0.00 ATOM 731 N LYS 94 4.178 7.547 22.414 1.00 0.00 ATOM 732 CA LYS 94 3.416 6.356 22.157 1.00 0.00 ATOM 733 CB LYS 94 1.917 6.647 22.250 1.00 0.00 ATOM 734 CG LYS 94 1.447 7.051 23.638 1.00 0.00 ATOM 735 CD LYS 94 -0.050 7.305 23.661 1.00 0.00 ATOM 736 CE LYS 94 -0.520 7.706 25.050 1.00 0.00 ATOM 737 NZ LYS 94 -1.994 7.918 25.099 1.00 0.00 ATOM 738 O LYS 94 4.153 6.406 19.857 1.00 0.00 ATOM 739 C LYS 94 3.636 5.736 20.797 1.00 0.00 ATOM 740 N VAL 95 3.360 4.466 20.524 1.00 0.00 ATOM 741 CA VAL 95 3.595 3.896 19.184 1.00 0.00 ATOM 742 CB VAL 95 4.541 2.689 19.273 1.00 0.00 ATOM 743 CG1 VAL 95 4.788 2.119 17.886 1.00 0.00 ATOM 744 CG2 VAL 95 5.849 3.114 19.937 1.00 0.00 ATOM 745 O VAL 95 1.405 2.958 19.374 1.00 0.00 ATOM 746 C VAL 95 2.213 3.542 18.656 1.00 0.00 ATOM 747 N LEU 96 1.704 3.845 17.248 1.00 0.00 ATOM 748 CA LEU 96 0.282 3.834 16.949 1.00 0.00 ATOM 749 CB LEU 96 -0.024 4.754 15.767 1.00 0.00 ATOM 750 CG LEU 96 0.315 6.234 15.952 1.00 0.00 ATOM 751 CD1 LEU 96 0.021 7.016 14.681 1.00 0.00 ATOM 752 CD2 LEU 96 -0.510 6.835 17.080 1.00 0.00 ATOM 753 O LEU 96 0.462 1.514 16.303 1.00 0.00 ATOM 754 C LEU 96 -0.284 2.457 16.582 1.00 0.00 ATOM 755 N SER 97 -1.616 2.369 16.589 1.00 0.00 ATOM 756 CA SER 97 -2.354 1.142 16.274 1.00 0.00 ATOM 757 CB SER 97 -3.765 1.199 16.863 1.00 0.00 ATOM 758 OG SER 97 -4.543 2.197 16.227 1.00 0.00 ATOM 759 O SER 97 -2.418 1.837 13.977 1.00 0.00 ATOM 760 C SER 97 -2.407 0.894 14.771 1.00 0.00 ATOM 761 N ASP 98 -2.580 -0.374 14.396 1.00 0.00 ATOM 762 CA ASP 98 -2.648 -0.749 12.988 1.00 0.00 ATOM 763 CB ASP 98 -2.702 -2.267 12.812 1.00 0.00 ATOM 764 CG ASP 98 -2.757 -2.682 11.354 1.00 0.00 ATOM 765 OD1 ASP 98 -1.804 -2.371 10.611 1.00 0.00 ATOM 766 OD2 ASP 98 -3.754 -3.320 10.955 1.00 0.00 ATOM 767 O ASP 98 -3.843 0.326 11.218 1.00 0.00 ATOM 768 C ASP 98 -3.938 -0.154 12.339 1.00 0.00 ATOM 769 N LYS 99 -5.087 -0.356 12.978 1.00 0.00 ATOM 770 CA LYS 99 -6.309 0.229 12.332 1.00 0.00 ATOM 771 CB LYS 99 -7.551 -0.053 13.180 1.00 0.00 ATOM 772 CG LYS 99 -7.981 -1.510 13.186 1.00 0.00 ATOM 773 CD LYS 99 -9.218 -1.717 14.044 1.00 0.00 ATOM 774 CE LYS 99 -9.633 -3.180 14.069 1.00 0.00 ATOM 775 NZ LYS 99 -10.825 -3.403 14.933 1.00 0.00 ATOM 776 O LYS 99 -6.564 2.287 11.099 1.00 0.00 ATOM 777 C LYS 99 -6.181 1.742 12.143 1.00 0.00 ATOM 778 N GLU 100 -5.562 2.418 13.122 1.00 0.00 ATOM 779 CA GLU 100 -5.404 3.865 13.048 1.00 0.00 ATOM 780 CB GLU 100 -4.755 4.414 14.320 1.00 0.00 ATOM 781 CG GLU 100 -4.612 5.929 14.341 1.00 0.00 ATOM 782 CD GLU 100 -3.999 6.440 15.629 1.00 0.00 ATOM 783 OE1 GLU 100 -3.695 5.610 16.513 1.00 0.00 ATOM 784 OE2 GLU 100 -3.819 7.668 15.756 1.00 0.00 ATOM 785 O GLU 100 -4.810 5.236 11.148 1.00 0.00 ATOM 786 C GLU 100 -4.528 4.240 11.909 1.00 0.00 ATOM 787 N ILE 101 -3.441 3.615 11.852 1.00 0.00 ATOM 788 CA ILE 101 -2.514 3.966 10.823 1.00 0.00 ATOM 789 CB ILE 101 -1.220 3.137 10.926 1.00 0.00 ATOM 790 CG1 ILE 101 -0.462 3.490 12.208 1.00 0.00 ATOM 791 CG2 ILE 101 -0.313 3.414 9.738 1.00 0.00 ATOM 792 CD1 ILE 101 0.671 2.539 12.527 1.00 0.00 ATOM 793 O ILE 101 -2.892 4.595 8.535 1.00 0.00 ATOM 794 C ILE 101 -3.095 3.759 9.428 1.00 0.00 ATOM 795 N LYS 102 -3.709 2.620 9.204 1.00 0.00 ATOM 796 CA LYS 102 -4.311 2.336 7.910 1.00 0.00 ATOM 797 CB LYS 102 -4.979 0.960 7.894 1.00 0.00 ATOM 798 CG LYS 102 -5.575 0.575 6.550 1.00 0.00 ATOM 799 CD LYS 102 -6.153 -0.829 6.583 1.00 0.00 ATOM 800 CE LYS 102 -6.776 -1.203 5.248 1.00 0.00 ATOM 801 NZ LYS 102 -7.358 -2.573 5.271 1.00 0.00 ATOM 802 O LYS 102 -5.424 3.798 6.390 1.00 0.00 ATOM 803 C LYS 102 -5.388 3.408 7.546 1.00 0.00 ATOM 804 N ASP 103 -6.169 3.764 8.536 1.00 0.00 ATOM 805 CA ASP 103 -7.215 4.801 8.289 1.00 0.00 ATOM 806 CB ASP 103 -8.020 5.064 9.563 1.00 0.00 ATOM 807 CG ASP 103 -8.964 3.926 9.901 1.00 0.00 ATOM 808 OD1 ASP 103 -9.169 3.048 9.036 1.00 0.00 ATOM 809 OD2 ASP 103 -9.497 3.912 11.030 1.00 0.00 ATOM 810 O ASP 103 -7.007 6.777 6.884 1.00 0.00 ATOM 811 C ASP 103 -6.577 6.108 7.847 1.00 0.00 ATOM 812 N MET 104 -5.454 6.504 8.506 1.00 0.00 ATOM 813 CA MET 104 -4.795 7.744 8.077 1.00 0.00 ATOM 814 CB MET 104 -3.632 8.086 9.013 1.00 0.00 ATOM 815 CG MET 104 -4.062 8.506 10.409 1.00 0.00 ATOM 816 SD MET 104 -5.093 9.986 10.405 1.00 0.00 ATOM 817 CE MET 104 -3.904 11.223 9.892 1.00 0.00 ATOM 818 O MET 104 -4.317 8.595 5.881 1.00 0.00 ATOM 819 C MET 104 -4.273 7.633 6.646 1.00 0.00 ATOM 820 N TYR 105 -3.758 6.497 6.412 1.00 0.00 ATOM 821 CA TYR 105 -3.181 6.320 5.086 1.00 0.00 ATOM 822 CB TYR 105 -2.489 4.944 5.025 1.00 0.00 ATOM 823 CG TYR 105 -1.871 4.776 3.648 1.00 0.00 ATOM 824 CD1 TYR 105 -0.639 5.348 3.356 1.00 0.00 ATOM 825 CD2 TYR 105 -2.556 4.069 2.670 1.00 0.00 ATOM 826 CE1 TYR 105 -0.099 5.205 2.082 1.00 0.00 ATOM 827 CE2 TYR 105 -2.012 3.917 1.409 1.00 0.00 ATOM 828 CZ TYR 105 -0.790 4.493 1.129 1.00 0.00 ATOM 829 OH TYR 105 -0.283 4.344 -0.137 1.00 0.00 ATOM 830 O TYR 105 -4.089 7.145 2.979 1.00 0.00 ATOM 831 C TYR 105 -4.271 6.488 4.018 1.00 0.00 ATOM 832 N ARG 106 -5.382 5.808 4.225 1.00 0.00 ATOM 833 CA ARG 106 -6.491 5.919 3.305 1.00 0.00 ATOM 834 CB ARG 106 -7.540 4.777 3.662 1.00 0.00 ATOM 835 CG ARG 106 -7.013 3.358 3.498 1.00 0.00 ATOM 836 CD ARG 106 -7.908 2.352 4.186 1.00 0.00 ATOM 837 NE ARG 106 -8.291 1.287 3.275 1.00 0.00 ATOM 838 CZ ARG 106 -9.262 1.383 2.376 1.00 0.00 ATOM 839 NH1 ARG 106 -9.967 2.497 2.270 1.00 0.00 ATOM 840 NH2 ARG 106 -9.510 0.365 1.566 1.00 0.00 ATOM 841 O ARG 106 -7.564 7.731 2.169 1.00 0.00 ATOM 842 C ARG 106 -6.950 7.366 3.170 1.00 0.00 ATOM 843 N GLN 107 -6.630 8.196 4.332 1.00 0.00 ATOM 844 CA GLN 107 -7.032 9.604 4.337 1.00 0.00 ATOM 845 CB GLN 107 -7.289 10.082 5.767 1.00 0.00 ATOM 846 CG GLN 107 -8.399 9.329 6.481 1.00 0.00 ATOM 847 CD GLN 107 -9.735 9.447 5.773 1.00 0.00 ATOM 848 OE1 GLN 107 -10.157 10.542 5.404 1.00 0.00 ATOM 849 NE2 GLN 107 -10.403 8.315 5.580 1.00 0.00 ATOM 850 O GLN 107 -6.129 11.731 3.677 1.00 0.00 ATOM 851 C GLN 107 -6.000 10.508 3.660 1.00 0.00 ATOM 852 N GLY 108 -4.904 9.916 3.197 1.00 0.00 ATOM 853 CA GLY 108 -3.876 10.688 2.521 1.00 0.00 ATOM 854 O GLY 108 -1.801 11.801 2.820 1.00 0.00 ATOM 855 C GLY 108 -2.762 11.267 3.373 1.00 0.00 ATOM 856 N LYS 109 -2.747 10.916 4.649 1.00 0.00 ATOM 857 CA LYS 109 -1.699 11.433 5.515 1.00 0.00 ATOM 858 CB LYS 109 -2.212 12.627 6.324 1.00 0.00 ATOM 859 CG LYS 109 -2.592 13.832 5.477 1.00 0.00 ATOM 860 CD LYS 109 -3.021 15.003 6.344 1.00 0.00 ATOM 861 CE LYS 109 -3.471 16.183 5.498 1.00 0.00 ATOM 862 NZ LYS 109 -3.837 17.360 6.334 1.00 0.00 ATOM 863 O LYS 109 -2.041 9.626 7.019 1.00 0.00 ATOM 864 C LYS 109 -1.223 10.365 6.517 1.00 0.00 ATOM 865 N ILE 110 0.152 10.370 6.741 1.00 0.00 ATOM 866 CA ILE 110 0.756 9.470 7.725 1.00 0.00 ATOM 867 CB ILE 110 1.473 8.296 7.036 1.00 0.00 ATOM 868 CG1 ILE 110 0.486 7.490 6.190 1.00 0.00 ATOM 869 CG2 ILE 110 2.090 7.366 8.071 1.00 0.00 ATOM 870 CD1 ILE 110 1.141 6.446 5.312 1.00 0.00 ATOM 871 O ILE 110 2.995 10.157 8.283 1.00 0.00 ATOM 872 C ILE 110 1.793 10.251 8.572 1.00 0.00 ATOM 873 N SER 111 1.435 11.043 9.666 1.00 0.00 ATOM 874 CA SER 111 2.305 12.036 10.279 1.00 0.00 ATOM 875 CB SER 111 1.544 12.836 11.337 1.00 0.00 ATOM 876 OG SER 111 0.521 13.619 10.748 1.00 0.00 ATOM 877 O SER 111 4.655 11.779 10.804 1.00 0.00 ATOM 878 C SER 111 3.496 11.337 10.933 1.00 0.00 ATOM 879 N PHE 112 3.249 10.236 11.572 1.00 0.00 ATOM 880 CA PHE 112 4.336 9.491 12.219 1.00 0.00 ATOM 881 CB PHE 112 3.743 8.435 13.161 1.00 0.00 ATOM 882 CG PHE 112 4.783 7.776 14.008 1.00 0.00 ATOM 883 CD1 PHE 112 5.705 8.565 14.715 1.00 0.00 ATOM 884 CD2 PHE 112 5.028 6.410 13.896 1.00 0.00 ATOM 885 CE1 PHE 112 6.876 8.001 15.279 1.00 0.00 ATOM 886 CE2 PHE 112 6.187 5.841 14.459 1.00 0.00 ATOM 887 CZ PHE 112 7.111 6.649 15.140 1.00 0.00 ATOM 888 O PHE 112 6.520 9.103 11.297 1.00 0.00 ATOM 889 C PHE 112 5.294 8.965 11.155 1.00 0.00 ATOM 890 N TYR 113 4.759 8.387 10.083 1.00 0.00 ATOM 891 CA TYR 113 5.580 7.912 8.971 1.00 0.00 ATOM 892 CB TYR 113 4.647 7.271 7.891 1.00 0.00 ATOM 893 CG TYR 113 5.379 7.002 6.597 1.00 0.00 ATOM 894 CD1 TYR 113 6.277 5.942 6.492 1.00 0.00 ATOM 895 CD2 TYR 113 5.236 7.857 5.505 1.00 0.00 ATOM 896 CE1 TYR 113 7.020 5.742 5.332 1.00 0.00 ATOM 897 CE2 TYR 113 5.976 7.670 4.343 1.00 0.00 ATOM 898 CZ TYR 113 6.866 6.611 4.263 1.00 0.00 ATOM 899 OH TYR 113 7.613 6.425 3.121 1.00 0.00 ATOM 900 O TYR 113 7.613 8.892 8.057 1.00 0.00 ATOM 901 C TYR 113 6.392 9.023 8.295 1.00 0.00 ATOM 902 N GLU 114 5.683 10.222 7.870 1.00 0.00 ATOM 903 CA GLU 114 6.313 11.444 7.351 1.00 0.00 ATOM 904 CB GLU 114 5.272 12.549 7.174 1.00 0.00 ATOM 905 CG GLU 114 4.301 12.313 6.029 1.00 0.00 ATOM 906 CD GLU 114 3.228 13.380 5.943 1.00 0.00 ATOM 907 OE1 GLU 114 3.201 14.267 6.822 1.00 0.00 ATOM 908 OE2 GLU 114 2.415 13.329 4.997 1.00 0.00 ATOM 909 O GLU 114 8.431 12.469 7.805 1.00 0.00 ATOM 910 C GLU 114 7.391 11.973 8.284 1.00 0.00 ATOM 911 N VAL 115 7.245 11.817 9.600 1.00 0.00 ATOM 912 CA VAL 115 8.283 12.248 10.524 1.00 0.00 ATOM 913 CB VAL 115 7.764 13.328 11.491 1.00 0.00 ATOM 914 CG1 VAL 115 8.849 13.721 12.482 1.00 0.00 ATOM 915 CG2 VAL 115 7.341 14.572 10.723 1.00 0.00 ATOM 916 O VAL 115 7.999 10.262 11.834 1.00 0.00 ATOM 917 C VAL 115 8.788 11.067 11.340 1.00 0.00 ATOM 918 N TRP 116 10.088 11.046 11.591 1.00 0.00 ATOM 919 CA TRP 116 10.707 10.003 12.396 1.00 0.00 ATOM 920 CB TRP 116 11.833 9.304 11.630 1.00 0.00 ATOM 921 CG TRP 116 11.358 8.519 10.446 1.00 0.00 ATOM 922 CD1 TRP 116 10.070 8.170 10.159 1.00 0.00 ATOM 923 CD2 TRP 116 12.164 7.990 9.387 1.00 0.00 ATOM 924 CE2 TRP 116 11.297 7.329 8.494 1.00 0.00 ATOM 925 CE3 TRP 116 13.533 8.008 9.108 1.00 0.00 ATOM 926 NE1 TRP 116 10.023 7.452 8.988 1.00 0.00 ATOM 927 CZ2 TRP 116 11.755 6.692 7.342 1.00 0.00 ATOM 928 CZ3 TRP 116 13.983 7.375 7.962 1.00 0.00 ATOM 929 CH2 TRP 116 13.101 6.726 7.093 1.00 0.00 ATOM 930 O TRP 116 11.938 11.684 13.570 1.00 0.00 ATOM 931 C TRP 116 11.272 10.648 13.642 1.00 0.00 TER END