PFRMAT TS TARGET T0514 AUTHOR SAM-T06-server METHOD The SAM-T06 server uses methods similar to SAM_T04 in CASP6 and 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 8 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD 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 and METHOD AA, str2, near-backbone-11) for finding and aligning more remote METHOD 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. Helix and strand constraints METHOD generated from the secondary-structure predictions are passed to METHOD undertaker to use in the cost function. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. REMARK 6 REMARK 6 T0514 model 4 Fri Jul 18 13:28:54 2008 MODEL 4 PARENT N/A ATOM 2 N SER 11 -15.844 16.831 -5.309 1.00 0.00 ATOM 3 CA SER 11 -15.949 16.867 -6.763 1.00 0.00 ATOM 4 CB SER 11 -17.408 17.030 -7.191 1.00 0.00 ATOM 5 OG SER 11 -17.520 17.117 -8.601 1.00 0.00 ATOM 6 O SER 11 -15.283 19.170 -6.785 1.00 0.00 ATOM 7 C SER 11 -15.131 18.050 -7.270 1.00 0.00 ATOM 8 N ILE 12 -14.238 17.796 -8.221 1.00 0.00 ATOM 9 CA ILE 12 -13.419 18.863 -8.790 1.00 0.00 ATOM 10 CB ILE 12 -11.922 18.497 -8.773 1.00 0.00 ATOM 11 CG1 ILE 12 -11.441 18.295 -7.335 1.00 0.00 ATOM 12 CG2 ILE 12 -11.096 19.604 -9.408 1.00 0.00 ATOM 13 CD1 ILE 12 -10.052 17.703 -7.235 1.00 0.00 ATOM 14 O ILE 12 -14.075 18.218 -11.005 1.00 0.00 ATOM 15 C ILE 12 -13.806 19.140 -10.231 1.00 0.00 ATOM 16 N ASN 13 -13.846 20.423 -10.577 1.00 0.00 ATOM 17 CA ASN 13 -14.274 20.857 -11.897 1.00 0.00 ATOM 18 CB ASN 13 -15.490 21.779 -11.790 1.00 0.00 ATOM 19 CG ASN 13 -16.033 22.188 -13.145 1.00 0.00 ATOM 20 ND2 ASN 13 -17.299 22.587 -13.179 1.00 0.00 ATOM 21 OD1 ASN 13 -15.319 22.145 -14.149 1.00 0.00 ATOM 22 O ASN 13 -12.613 22.580 -12.031 1.00 0.00 ATOM 23 C ASN 13 -13.143 21.612 -12.578 1.00 0.00 ATOM 24 N CYS 14 -12.760 21.155 -13.765 1.00 0.00 ATOM 25 CA CYS 14 -11.820 21.895 -14.586 1.00 0.00 ATOM 26 CB CYS 14 -10.849 20.941 -15.282 1.00 0.00 ATOM 27 SG CYS 14 -9.614 21.756 -16.321 1.00 0.00 ATOM 28 O CYS 14 -13.334 22.090 -16.444 1.00 0.00 ATOM 29 C CYS 14 -12.611 22.673 -15.633 1.00 0.00 ATOM 30 N GLY 15 -12.499 23.994 -15.591 1.00 0.00 ATOM 31 CA GLY 15 -13.157 24.831 -16.574 1.00 0.00 ATOM 32 O GLY 15 -11.142 25.915 -17.284 1.00 0.00 ATOM 33 C GLY 15 -12.132 25.267 -17.609 1.00 0.00 ATOM 34 N ILE 16 -12.365 24.871 -18.852 1.00 0.00 ATOM 35 CA ILE 16 -11.445 25.163 -19.937 1.00 0.00 ATOM 36 CB ILE 16 -10.388 24.053 -20.094 1.00 0.00 ATOM 37 CG1 ILE 16 -9.388 24.420 -21.193 1.00 0.00 ATOM 38 CG2 ILE 16 -11.049 22.736 -20.466 1.00 0.00 ATOM 39 CD1 ILE 16 -8.160 23.538 -21.221 1.00 0.00 ATOM 40 O ILE 16 -13.083 24.425 -21.519 1.00 0.00 ATOM 41 C ILE 16 -12.241 25.274 -21.231 1.00 0.00 ATOM 42 N GLN 17 -11.980 26.333 -21.993 1.00 0.00 ATOM 43 CA GLN 17 -12.730 26.646 -23.218 1.00 0.00 ATOM 44 CB GLN 17 -12.306 25.719 -24.357 1.00 0.00 ATOM 45 CG GLN 17 -10.876 25.932 -24.830 1.00 0.00 ATOM 46 CD GLN 17 -10.456 24.925 -25.883 1.00 0.00 ATOM 47 OE1 GLN 17 -11.260 24.108 -26.330 1.00 0.00 ATOM 48 NE2 GLN 17 -9.190 24.983 -26.283 1.00 0.00 ATOM 49 O GLN 17 -14.904 25.870 -23.919 1.00 0.00 ATOM 50 C GLN 17 -14.255 26.498 -23.081 1.00 0.00 ATOM 51 N GLU 18 -14.807 27.087 -22.021 1.00 0.00 ATOM 52 CA GLU 18 -16.255 27.087 -21.764 1.00 0.00 ATOM 53 CB GLU 18 -17.010 27.694 -22.948 1.00 0.00 ATOM 54 CG GLU 18 -16.661 29.147 -23.228 1.00 0.00 ATOM 55 CD GLU 18 -17.429 29.714 -24.405 1.00 0.00 ATOM 56 OE1 GLU 18 -18.177 28.950 -25.051 1.00 0.00 ATOM 57 OE2 GLU 18 -17.284 30.923 -24.682 1.00 0.00 ATOM 58 O GLU 18 -18.067 25.509 -21.570 1.00 0.00 ATOM 59 C GLU 18 -16.848 25.692 -21.536 1.00 0.00 ATOM 60 N GLY 19 -15.980 24.713 -21.303 1.00 0.00 ATOM 61 CA GLY 19 -16.416 23.365 -20.965 1.00 0.00 ATOM 62 O GLY 19 -15.372 23.831 -18.865 1.00 0.00 ATOM 63 C GLY 19 -16.169 23.131 -19.484 1.00 0.00 ATOM 64 N LYS 20 -16.866 22.153 -18.917 1.00 0.00 ATOM 65 CA LYS 20 -16.700 21.812 -17.511 1.00 0.00 ATOM 66 CB LYS 20 -17.917 22.262 -16.702 1.00 0.00 ATOM 67 CG LYS 20 -18.113 23.769 -16.659 1.00 0.00 ATOM 68 CD LYS 20 -19.221 24.156 -15.694 1.00 0.00 ATOM 69 CE LYS 20 -19.410 25.663 -15.645 1.00 0.00 ATOM 70 NZ LYS 20 -20.636 26.044 -14.890 1.00 0.00 ATOM 71 O LYS 20 -17.505 19.552 -17.412 1.00 0.00 ATOM 72 C LYS 20 -16.538 20.309 -17.331 1.00 0.00 ATOM 73 N LYS 21 -15.299 19.887 -17.098 1.00 0.00 ATOM 74 CA LYS 21 -14.989 18.484 -16.871 1.00 0.00 ATOM 75 CB LYS 21 -13.618 18.139 -17.455 1.00 0.00 ATOM 76 CG LYS 21 -13.262 16.662 -17.371 1.00 0.00 ATOM 77 CD LYS 21 -11.895 16.389 -17.977 1.00 0.00 ATOM 78 CE LYS 21 -11.551 14.909 -17.920 1.00 0.00 ATOM 79 NZ LYS 21 -10.206 14.629 -18.492 1.00 0.00 ATOM 80 O LYS 21 -14.179 18.758 -14.628 1.00 0.00 ATOM 81 C LYS 21 -14.972 18.191 -15.379 1.00 0.00 ATOM 82 N VAL 22 -15.858 17.299 -14.957 1.00 0.00 ATOM 83 CA VAL 22 -16.064 17.024 -13.545 1.00 0.00 ATOM 84 CB VAL 22 -17.562 16.939 -13.200 1.00 0.00 ATOM 85 CG1 VAL 22 -17.751 16.576 -11.735 1.00 0.00 ATOM 86 CG2 VAL 22 -18.244 18.275 -13.456 1.00 0.00 ATOM 87 O VAL 22 -15.425 14.742 -13.924 1.00 0.00 ATOM 88 C VAL 22 -15.421 15.697 -13.151 1.00 0.00 ATOM 89 N CYS 23 -14.864 15.648 -11.945 1.00 0.00 ATOM 90 CA CYS 23 -14.302 14.411 -11.412 1.00 0.00 ATOM 91 CB CYS 23 -12.801 14.338 -11.694 1.00 0.00 ATOM 92 SG CYS 23 -12.001 12.829 -11.101 1.00 0.00 ATOM 93 O CYS 23 -14.223 15.282 -9.175 1.00 0.00 ATOM 94 C CYS 23 -14.509 14.331 -9.903 1.00 0.00 ATOM 95 N PHE 24 -15.024 13.198 -9.440 1.00 0.00 ATOM 96 CA PHE 24 -15.152 12.962 -8.013 1.00 0.00 ATOM 97 CB PHE 24 -16.357 12.065 -7.724 1.00 0.00 ATOM 98 CG PHE 24 -17.682 12.725 -7.983 1.00 0.00 ATOM 99 CD1 PHE 24 -18.342 12.536 -9.184 1.00 0.00 ATOM 100 CD2 PHE 24 -18.265 13.535 -7.024 1.00 0.00 ATOM 101 CE1 PHE 24 -19.560 13.144 -9.422 1.00 0.00 ATOM 102 CE2 PHE 24 -19.483 14.144 -7.263 1.00 0.00 ATOM 103 CZ PHE 24 -20.131 13.951 -8.455 1.00 0.00 ATOM 104 O PHE 24 -13.462 11.255 -8.021 1.00 0.00 ATOM 105 C PHE 24 -13.892 12.279 -7.488 1.00 0.00 ATOM 106 N MET 25 -13.298 12.858 -6.451 1.00 0.00 ATOM 107 CA MET 25 -12.150 12.249 -5.800 1.00 0.00 ATOM 108 CB MET 25 -11.049 13.288 -5.572 1.00 0.00 ATOM 109 CG MET 25 -9.784 12.726 -4.944 1.00 0.00 ATOM 110 SD MET 25 -8.500 13.973 -4.733 1.00 0.00 ATOM 111 CE MET 25 -7.914 14.146 -6.416 1.00 0.00 ATOM 112 O MET 25 -13.149 12.356 -3.620 1.00 0.00 ATOM 113 C MET 25 -12.553 11.667 -4.447 1.00 0.00 ATOM 114 N HIS 26 -12.247 10.389 -4.241 1.00 0.00 ATOM 115 CA HIS 26 -12.464 9.737 -2.953 1.00 0.00 ATOM 116 CB HIS 26 -13.371 8.516 -3.118 1.00 0.00 ATOM 117 CG HIS 26 -14.729 8.839 -3.658 1.00 0.00 ATOM 118 CD2 HIS 26 -15.352 8.835 -4.973 1.00 0.00 ATOM 119 ND1 HIS 26 -15.769 9.261 -2.856 1.00 0.00 ATOM 120 CE1 HIS 26 -16.854 9.473 -3.621 1.00 0.00 ATOM 121 NE2 HIS 26 -16.610 9.219 -4.892 1.00 0.00 ATOM 122 O HIS 26 -10.408 8.499 -2.991 1.00 0.00 ATOM 123 C HIS 26 -11.128 9.282 -2.371 1.00 0.00 ATOM 124 N ARG 27 -10.803 9.780 -1.180 1.00 0.00 ATOM 125 CA ARG 27 -9.542 9.458 -0.519 1.00 0.00 ATOM 126 CB ARG 27 -8.850 10.734 -0.034 1.00 0.00 ATOM 127 CG ARG 27 -7.477 10.503 0.577 1.00 0.00 ATOM 128 CD ARG 27 -6.821 11.815 0.972 1.00 0.00 ATOM 129 NE ARG 27 -5.485 11.612 1.531 1.00 0.00 ATOM 130 CZ ARG 27 -4.748 12.577 2.070 1.00 0.00 ATOM 131 NH1 ARG 27 -3.544 12.299 2.555 1.00 0.00 ATOM 132 NH2 ARG 27 -5.215 13.817 2.125 1.00 0.00 ATOM 133 O ARG 27 -10.518 8.913 1.611 1.00 0.00 ATOM 134 C ARG 27 -9.779 8.554 0.689 1.00 0.00 ATOM 135 N GLN 28 -9.156 7.377 0.670 1.00 0.00 ATOM 136 CA GLN 28 -9.277 6.409 1.760 1.00 0.00 ATOM 137 CB GLN 28 -9.743 5.053 1.224 1.00 0.00 ATOM 138 CG GLN 28 -11.084 5.098 0.510 1.00 0.00 ATOM 139 CD GLN 28 -10.968 5.585 -0.921 1.00 0.00 ATOM 140 OE1 GLN 28 -9.935 5.405 -1.565 1.00 0.00 ATOM 141 NE2 GLN 28 -12.030 6.206 -1.422 1.00 0.00 ATOM 142 O GLN 28 -6.882 6.384 1.919 1.00 0.00 ATOM 143 C GLN 28 -7.953 6.185 2.481 1.00 0.00 ATOM 144 N GLU 29 -8.049 5.764 3.735 1.00 0.00 ATOM 145 CA GLU 29 -6.885 5.380 4.513 1.00 0.00 ATOM 146 CB GLU 29 -6.552 6.458 5.547 1.00 0.00 ATOM 147 CG GLU 29 -6.153 7.794 4.943 1.00 0.00 ATOM 148 CD GLU 29 -5.830 8.836 5.997 1.00 0.00 ATOM 149 OE1 GLU 29 -5.933 8.516 7.199 1.00 0.00 ATOM 150 OE2 GLU 29 -5.476 9.972 5.620 1.00 0.00 ATOM 151 O GLU 29 -8.293 3.834 5.661 1.00 0.00 ATOM 152 C GLU 29 -7.169 4.080 5.229 1.00 0.00 ATOM 153 N VAL 30 -6.153 3.237 5.355 1.00 0.00 ATOM 154 CA VAL 30 -6.320 1.979 6.065 1.00 0.00 ATOM 155 CB VAL 30 -6.379 0.786 5.092 1.00 0.00 ATOM 156 CG1 VAL 30 -6.526 -0.520 5.859 1.00 0.00 ATOM 157 CG2 VAL 30 -7.566 0.926 4.151 1.00 0.00 ATOM 158 O VAL 30 -3.999 1.717 6.594 1.00 0.00 ATOM 159 C VAL 30 -5.156 1.751 7.015 1.00 0.00 ATOM 160 N ASN 31 -5.471 1.616 8.301 1.00 0.00 ATOM 161 CA ASN 31 -4.453 1.351 9.317 1.00 0.00 ATOM 162 CB ASN 31 -4.275 2.566 10.227 1.00 0.00 ATOM 163 CG ASN 31 -3.784 3.790 9.477 1.00 0.00 ATOM 164 ND2 ASN 31 -4.677 4.749 9.263 1.00 0.00 ATOM 165 OD1 ASN 31 -2.617 3.869 9.096 1.00 0.00 ATOM 166 O ASN 31 -5.976 -0.229 10.317 1.00 0.00 ATOM 167 C ASN 31 -4.811 0.159 10.210 1.00 0.00 ATOM 168 N ASP 32 1.585 -11.237 18.797 1.00 0.00 ATOM 169 CA ASP 32 1.795 -12.649 19.138 1.00 0.00 ATOM 170 CB ASP 32 1.598 -12.872 20.639 1.00 0.00 ATOM 171 CG ASP 32 2.742 -12.319 21.464 1.00 0.00 ATOM 172 OD1 ASP 32 3.764 -11.914 20.869 1.00 0.00 ATOM 173 OD2 ASP 32 2.619 -12.289 22.707 1.00 0.00 ATOM 174 O ASP 32 -0.264 -13.169 18.009 1.00 0.00 ATOM 175 C ASP 32 0.827 -13.580 18.410 1.00 0.00 ATOM 176 N GLN 33 1.226 -14.838 18.244 1.00 0.00 ATOM 177 CA GLN 33 0.329 -15.849 17.700 1.00 0.00 ATOM 178 CB GLN 33 1.035 -17.205 17.620 1.00 0.00 ATOM 179 CG GLN 33 0.201 -18.300 16.978 1.00 0.00 ATOM 180 CD GLN 33 0.965 -19.603 16.830 1.00 0.00 ATOM 181 OE1 GLN 33 2.127 -19.699 17.222 1.00 0.00 ATOM 182 NE2 GLN 33 0.310 -20.610 16.264 1.00 0.00 ATOM 183 O GLN 33 -0.761 -15.866 19.841 1.00 0.00 ATOM 184 C GLN 33 -0.885 -15.961 18.615 1.00 0.00 ATOM 185 N ASN 34 -2.057 -16.135 18.016 1.00 0.00 ATOM 186 CA ASN 34 -3.295 -16.143 18.782 1.00 0.00 ATOM 187 CB ASN 34 -3.098 -16.871 20.113 1.00 0.00 ATOM 188 CG ASN 34 -2.807 -18.348 19.932 1.00 0.00 ATOM 189 ND2 ASN 34 -2.049 -18.919 20.861 1.00 0.00 ATOM 190 OD1 ASN 34 -3.261 -18.966 18.969 1.00 0.00 ATOM 191 O ASN 34 -4.976 -14.711 19.683 1.00 0.00 ATOM 192 C ASN 34 -3.872 -14.785 19.149 1.00 0.00 ATOM 193 N ARG 35 -3.131 -13.703 18.906 1.00 0.00 ATOM 194 CA ARG 35 -3.656 -12.359 19.182 1.00 0.00 ATOM 195 CB ARG 35 -2.513 -11.391 19.491 1.00 0.00 ATOM 196 CG ARG 35 -1.743 -11.723 20.760 1.00 0.00 ATOM 197 CD ARG 35 -0.670 -10.685 21.043 1.00 0.00 ATOM 198 NE ARG 35 -1.241 -9.387 21.389 1.00 0.00 ATOM 199 CZ ARG 35 -0.526 -8.284 21.587 1.00 0.00 ATOM 200 NH1 ARG 35 -1.133 -7.146 21.899 1.00 0.00 ATOM 201 NH2 ARG 35 0.794 -8.322 21.472 1.00 0.00 ATOM 202 O ARG 35 -4.302 -12.326 16.865 1.00 0.00 ATOM 203 C ARG 35 -4.433 -11.813 17.974 1.00 0.00 ATOM 204 N VAL 36 -5.244 -10.785 18.199 1.00 0.00 ATOM 205 CA VAL 36 -6.145 -10.265 17.163 1.00 0.00 ATOM 206 CB VAL 36 -7.444 -9.708 17.772 1.00 0.00 ATOM 207 CG1 VAL 36 -8.189 -10.798 18.528 1.00 0.00 ATOM 208 CG2 VAL 36 -7.137 -8.577 18.741 1.00 0.00 ATOM 209 O VAL 36 -4.675 -8.398 16.834 1.00 0.00 ATOM 210 C VAL 36 -5.533 -9.139 16.352 1.00 0.00 ATOM 211 N VAL 37 -6.004 -8.995 15.119 1.00 0.00 ATOM 212 CA VAL 37 -5.612 -7.874 14.278 1.00 0.00 ATOM 213 CB VAL 37 -4.841 -8.347 13.032 1.00 0.00 ATOM 214 CG1 VAL 37 -4.480 -7.164 12.148 1.00 0.00 ATOM 215 CG2 VAL 37 -3.557 -9.054 13.435 1.00 0.00 ATOM 216 O VAL 37 -7.839 -7.790 13.427 1.00 0.00 ATOM 217 C VAL 37 -6.879 -7.152 13.844 1.00 0.00 ATOM 218 N VAL 38 -6.896 -5.831 13.970 1.00 0.00 ATOM 219 CA VAL 38 -8.027 -5.044 13.500 1.00 0.00 ATOM 220 CB VAL 38 -8.766 -4.365 14.668 1.00 0.00 ATOM 221 CG1 VAL 38 -9.921 -3.522 14.148 1.00 0.00 ATOM 222 CG2 VAL 38 -9.324 -5.408 15.623 1.00 0.00 ATOM 223 O VAL 38 -6.675 -3.180 12.875 1.00 0.00 ATOM 224 C VAL 38 -7.567 -3.957 12.551 1.00 0.00 ATOM 225 N MET 40 -8.184 -3.910 11.376 1.00 0.00 ATOM 226 CA MET 40 -7.896 -2.859 10.410 1.00 0.00 ATOM 227 CB MET 40 -7.622 -3.462 9.030 1.00 0.00 ATOM 228 CG MET 40 -6.409 -4.376 8.983 1.00 0.00 ATOM 229 SD MET 40 -4.871 -3.513 9.356 1.00 0.00 ATOM 230 CE MET 40 -4.758 -2.401 7.955 1.00 0.00 ATOM 231 O MET 40 -10.228 -2.364 10.221 1.00 0.00 ATOM 232 C MET 40 -9.083 -1.922 10.308 1.00 0.00 ATOM 233 N SER 41 -8.810 -0.623 10.323 1.00 0.00 ATOM 234 CA SER 41 -9.861 0.373 10.203 1.00 0.00 ATOM 235 CB SER 41 -9.821 1.339 11.389 1.00 0.00 ATOM 236 OG SER 41 -10.807 2.349 11.257 1.00 0.00 ATOM 237 O SER 41 -8.604 1.692 8.642 1.00 0.00 ATOM 238 C SER 41 -9.683 1.171 8.918 1.00 0.00 ATOM 239 N VAL 42 -10.741 1.239 8.122 1.00 0.00 ATOM 240 CA VAL 42 -10.724 2.040 6.913 1.00 0.00 ATOM 241 CB VAL 42 -11.629 1.437 5.823 1.00 0.00 ATOM 242 CG1 VAL 42 -11.637 2.321 4.585 1.00 0.00 ATOM 243 CG2 VAL 42 -11.133 0.056 5.423 1.00 0.00 ATOM 244 O VAL 42 -12.309 3.637 7.759 1.00 0.00 ATOM 245 C VAL 42 -11.219 3.451 7.214 1.00 0.00 ATOM 246 N VAL 43 -10.396 4.437 6.880 1.00 0.00 ATOM 247 CA VAL 43 -10.804 5.831 6.952 1.00 0.00 ATOM 248 CB VAL 43 -9.603 6.759 7.215 1.00 0.00 ATOM 249 CG1 VAL 43 -10.041 8.214 7.214 1.00 0.00 ATOM 250 CG2 VAL 43 -8.976 6.446 8.566 1.00 0.00 ATOM 251 O VAL 43 -10.855 6.102 4.568 1.00 0.00 ATOM 252 C VAL 43 -11.450 6.246 5.636 1.00 0.00 ATOM 253 N LEU 44 -12.669 6.767 5.720 1.00 0.00 ATOM 254 CA LEU 44 -13.453 7.060 4.531 1.00 0.00 ATOM 255 CB LEU 44 -14.566 6.026 4.355 1.00 0.00 ATOM 256 CG LEU 44 -14.120 4.576 4.157 1.00 0.00 ATOM 257 CD1 LEU 44 -15.317 3.638 4.172 1.00 0.00 ATOM 258 CD2 LEU 44 -13.406 4.411 2.823 1.00 0.00 ATOM 259 O LEU 44 -14.437 8.914 5.691 1.00 0.00 ATOM 260 C LEU 44 -14.104 8.435 4.606 1.00 0.00 ATOM 261 N ASN 45 -14.286 9.081 3.446 1.00 0.00 ATOM 262 CA ASN 45 -14.968 10.366 3.406 1.00 0.00 ATOM 263 CB ASN 45 -14.748 11.047 2.054 1.00 0.00 ATOM 264 CG ASN 45 -13.326 11.543 1.875 1.00 0.00 ATOM 265 ND2 ASN 45 -12.926 11.747 0.625 1.00 0.00 ATOM 266 OD1 ASN 45 -12.599 11.739 2.849 1.00 0.00 ATOM 267 O ASN 45 -17.009 9.124 3.340 1.00 0.00 ATOM 268 C ASN 45 -16.469 10.197 3.615 1.00 0.00 ATOM 269 N ALA 46 -17.141 11.246 4.118 1.00 0.00 ATOM 270 CA ALA 46 -18.590 11.220 4.300 1.00 0.00 ATOM 271 CB ALA 46 -19.080 12.554 4.843 1.00 0.00 ATOM 272 O ALA 46 -18.943 11.489 1.944 1.00 0.00 ATOM 273 C ALA 46 -19.325 10.957 2.987 1.00 0.00 ATOM 274 N ASP 47 -20.365 10.129 3.045 1.00 0.00 ATOM 275 CA ASP 47 -21.197 9.851 1.875 1.00 0.00 ATOM 276 CB ASP 47 -21.196 11.048 0.921 1.00 0.00 ATOM 277 CG ASP 47 -21.949 12.239 1.481 1.00 0.00 ATOM 278 OD1 ASP 47 -22.714 12.057 2.450 1.00 0.00 ATOM 279 OD2 ASP 47 -21.772 13.354 0.949 1.00 0.00 ATOM 280 O ASP 47 -21.391 8.273 0.086 1.00 0.00 ATOM 281 C ASP 47 -20.743 8.651 1.064 1.00 0.00 ATOM 282 N GLY 48 -19.627 8.056 1.464 1.00 0.00 ATOM 283 CA GLY 48 -19.080 6.901 0.755 1.00 0.00 ATOM 284 O GLY 48 -19.060 5.558 2.745 1.00 0.00 ATOM 285 C GLY 48 -19.296 5.609 1.536 1.00 0.00 ATOM 286 N VAL 49 -19.741 4.567 0.838 1.00 0.00 ATOM 287 CA VAL 49 -19.905 3.246 1.443 1.00 0.00 ATOM 288 CB VAL 49 -21.376 2.794 1.424 1.00 0.00 ATOM 289 CG1 VAL 49 -21.527 1.439 2.098 1.00 0.00 ATOM 290 CG2 VAL 49 -22.251 3.798 2.161 1.00 0.00 ATOM 291 O VAL 49 -19.592 1.545 -0.228 1.00 0.00 ATOM 292 C VAL 49 -19.084 2.204 0.683 1.00 0.00 ATOM 293 N VAL 50 -17.802 2.063 1.047 1.00 0.00 ATOM 294 CA VAL 50 -16.898 1.142 0.367 1.00 0.00 ATOM 295 CB VAL 50 -15.432 1.593 0.495 1.00 0.00 ATOM 296 CG1 VAL 50 -14.500 0.555 -0.113 1.00 0.00 ATOM 297 CG2 VAL 50 -15.215 2.915 -0.226 1.00 0.00 ATOM 298 O VAL 50 -17.299 -0.482 2.083 1.00 0.00 ATOM 299 C VAL 50 -16.963 -0.281 0.916 1.00 0.00 ATOM 300 N SER 51 -16.654 -1.254 0.064 1.00 0.00 ATOM 301 CA SER 51 -16.437 -2.630 0.505 1.00 0.00 ATOM 302 CB SER 51 -17.068 -3.615 -0.481 1.00 0.00 ATOM 303 OG SER 51 -16.774 -4.954 -0.124 1.00 0.00 ATOM 304 O SER 51 -14.184 -2.415 -0.273 1.00 0.00 ATOM 305 C SER 51 -14.940 -2.879 0.583 1.00 0.00 ATOM 306 N GLY 52 -14.511 -3.601 1.613 1.00 0.00 ATOM 307 CA GLY 52 -13.098 -3.918 1.768 1.00 0.00 ATOM 308 O GLY 52 -13.650 -6.152 2.477 1.00 0.00 ATOM 309 C GLY 52 -12.864 -5.419 1.871 1.00 0.00 ATOM 310 N ASN 53 -11.763 -5.859 1.277 1.00 0.00 ATOM 311 CA ASN 53 -11.346 -7.242 1.339 1.00 0.00 ATOM 312 CB ASN 53 -11.685 -7.962 0.033 1.00 0.00 ATOM 313 CG ASN 53 -11.340 -9.437 0.075 1.00 0.00 ATOM 314 ND2 ASN 53 -12.357 -10.286 -0.037 1.00 0.00 ATOM 315 OD1 ASN 53 -10.173 -9.810 0.206 1.00 0.00 ATOM 316 O ASN 53 -9.072 -6.760 0.773 1.00 0.00 ATOM 317 C ASN 53 -9.840 -7.291 1.567 1.00 0.00 ATOM 318 N LEU 54 -9.422 -7.915 2.666 1.00 0.00 ATOM 319 CA LEU 54 -8.004 -8.035 2.984 1.00 0.00 ATOM 320 CB LEU 54 -7.726 -7.520 4.398 1.00 0.00 ATOM 321 CG LEU 54 -7.567 -6.006 4.548 1.00 0.00 ATOM 322 CD1 LEU 54 -8.806 -5.281 4.045 1.00 0.00 ATOM 323 CD2 LEU 54 -7.357 -5.631 6.008 1.00 0.00 ATOM 324 O LEU 54 -8.325 -10.396 3.194 1.00 0.00 ATOM 325 C LEU 54 -7.552 -9.489 2.908 1.00 0.00 ATOM 326 N THR 55 -6.296 -9.704 2.534 1.00 0.00 ATOM 327 CA THR 55 -5.757 -11.056 2.428 1.00 0.00 ATOM 328 CB THR 55 -5.679 -11.518 0.961 1.00 0.00 ATOM 329 CG2 THR 55 -4.715 -10.642 0.176 1.00 0.00 ATOM 330 OG1 THR 55 -5.221 -12.876 0.909 1.00 0.00 ATOM 331 O THR 55 -3.452 -10.400 2.621 1.00 0.00 ATOM 332 C THR 55 -4.345 -11.155 3.006 1.00 0.00 ATOM 333 N VAL 56 -4.153 -12.093 3.931 1.00 0.00 ATOM 334 CA VAL 56 -2.846 -12.305 4.552 1.00 0.00 ATOM 335 CB VAL 56 -2.974 -13.025 5.907 1.00 0.00 ATOM 336 CG1 VAL 56 -3.823 -12.206 6.867 1.00 0.00 ATOM 337 CG2 VAL 56 -3.628 -14.385 5.728 1.00 0.00 ATOM 338 O VAL 56 -2.409 -13.766 2.703 1.00 0.00 ATOM 339 C VAL 56 -1.942 -13.158 3.664 1.00 0.00 ATOM 340 N PRO 57 -0.639 -13.203 3.987 1.00 0.00 ATOM 341 CA PRO 57 0.322 -14.025 3.247 1.00 0.00 ATOM 342 CB PRO 57 1.625 -13.872 4.033 1.00 0.00 ATOM 343 CG PRO 57 1.519 -12.528 4.672 1.00 0.00 ATOM 344 CD PRO 57 0.081 -12.374 5.082 1.00 0.00 ATOM 345 O PRO 57 0.280 -16.170 2.182 1.00 0.00 ATOM 346 C PRO 57 -0.072 -15.504 3.155 1.00 0.00 ATOM 347 N PHE 58 -0.794 -16.016 4.148 1.00 0.00 ATOM 348 CA PHE 58 -1.178 -17.440 4.139 1.00 0.00 ATOM 349 CB PHE 58 -1.399 -17.944 5.566 1.00 0.00 ATOM 350 CG PHE 58 -2.393 -17.133 6.348 1.00 0.00 ATOM 351 CD1 PHE 58 -3.753 -17.316 6.167 1.00 0.00 ATOM 352 CD2 PHE 58 -1.968 -16.188 7.265 1.00 0.00 ATOM 353 CE1 PHE 58 -4.667 -16.570 6.887 1.00 0.00 ATOM 354 CE2 PHE 58 -2.881 -15.441 7.984 1.00 0.00 ATOM 355 CZ PHE 58 -4.226 -15.630 7.799 1.00 0.00 ATOM 356 O PHE 58 -2.881 -18.854 3.196 1.00 0.00 ATOM 357 C PHE 58 -2.470 -17.702 3.360 1.00 0.00 ATOM 358 N GLY 59 -3.099 -16.634 2.876 1.00 0.00 ATOM 359 CA GLY 59 -4.346 -16.742 2.141 1.00 0.00 ATOM 360 O GLY 59 -6.692 -16.487 2.464 1.00 0.00 ATOM 361 C GLY 59 -5.580 -16.433 2.966 1.00 0.00 ATOM 362 N ILE 60 -5.388 -16.107 4.238 1.00 0.00 ATOM 363 CA ILE 60 -6.498 -15.753 5.106 1.00 0.00 ATOM 364 CB ILE 60 -6.034 -15.536 6.556 1.00 0.00 ATOM 365 CG1 ILE 60 -5.434 -16.824 7.124 1.00 0.00 ATOM 366 CG2 ILE 60 -7.204 -15.122 7.436 1.00 0.00 ATOM 367 CD1 ILE 60 -6.401 -17.987 7.154 1.00 0.00 ATOM 368 O ILE 60 -6.516 -13.415 4.581 1.00 0.00 ATOM 369 C ILE 60 -7.152 -14.463 4.614 1.00 0.00 ATOM 370 N LEU 61 -8.412 -14.527 4.213 1.00 0.00 ATOM 371 CA LEU 61 -9.083 -13.293 3.818 1.00 0.00 ATOM 372 CB LEU 61 -9.604 -13.401 2.383 1.00 0.00 ATOM 373 CG LEU 61 -8.588 -13.136 1.273 1.00 0.00 ATOM 374 CD1 LEU 61 -7.468 -14.167 1.311 1.00 0.00 ATOM 375 CD2 LEU 61 -9.254 -13.210 -0.094 1.00 0.00 ATOM 376 O LEU 61 -11.003 -13.761 5.183 1.00 0.00 ATOM 377 C LEU 61 -10.282 -12.911 4.673 1.00 0.00 ATOM 378 N VAL 62 -10.447 -11.607 4.847 1.00 0.00 ATOM 379 CA VAL 62 -11.506 -11.050 5.671 1.00 0.00 ATOM 380 CB VAL 62 -10.951 -10.464 6.982 1.00 0.00 ATOM 381 CG1 VAL 62 -12.064 -9.809 7.786 1.00 0.00 ATOM 382 CG2 VAL 62 -10.324 -11.556 7.832 1.00 0.00 ATOM 383 O VAL 62 -11.551 -9.284 4.049 1.00 0.00 ATOM 384 C VAL 62 -12.186 -9.944 4.869 1.00 0.00 ATOM 385 N SER 63 -13.482 -9.765 5.084 1.00 0.00 ATOM 386 CA SER 63 -14.248 -8.747 4.374 1.00 0.00 ATOM 387 CB SER 63 -15.226 -9.401 3.394 1.00 0.00 ATOM 388 OG SER 63 -14.536 -10.139 2.401 1.00 0.00 ATOM 389 O SER 63 -15.366 -8.365 6.455 1.00 0.00 ATOM 390 C SER 63 -15.039 -7.906 5.361 1.00 0.00 ATOM 391 N LYS 64 -15.345 -6.675 4.973 1.00 0.00 ATOM 392 CA LYS 64 -16.127 -5.790 5.823 1.00 0.00 ATOM 393 CB LYS 64 -15.369 -5.480 7.116 1.00 0.00 ATOM 394 CG LYS 64 -14.140 -4.607 6.921 1.00 0.00 ATOM 395 CD LYS 64 -12.955 -5.422 6.430 1.00 0.00 ATOM 396 CE LYS 64 -11.716 -4.555 6.276 1.00 0.00 ATOM 397 NZ LYS 64 -10.530 -5.352 5.857 1.00 0.00 ATOM 398 O LYS 64 -16.303 -4.318 3.947 1.00 0.00 ATOM 399 C LYS 64 -16.441 -4.466 5.161 1.00 0.00 ATOM 400 N PRO 65 -16.868 -3.505 5.972 1.00 0.00 ATOM 401 CA PRO 65 -17.170 -2.163 5.498 1.00 0.00 ATOM 402 CB PRO 65 -18.545 -1.858 6.097 1.00 0.00 ATOM 403 CG PRO 65 -18.603 -2.685 7.337 1.00 0.00 ATOM 404 CD PRO 65 -17.843 -3.946 7.032 1.00 0.00 ATOM 405 O PRO 65 -15.344 -0.650 5.166 1.00 0.00 ATOM 406 C PRO 65 -16.132 -1.161 5.965 1.00 0.00 ATOM 407 N VAL 66 -16.128 -0.881 7.264 1.00 0.00 ATOM 408 CA VAL 66 -15.201 0.090 7.838 1.00 0.00 ATOM 409 CB VAL 66 -15.926 1.076 8.774 1.00 0.00 ATOM 410 CG1 VAL 66 -14.925 2.001 9.450 1.00 0.00 ATOM 411 CG2 VAL 66 -16.913 1.926 7.992 1.00 0.00 ATOM 412 O VAL 66 -12.935 -0.209 8.589 1.00 0.00 ATOM 413 C VAL 66 -14.103 -0.590 8.657 1.00 0.00 ATOM 414 N ARG 67 -14.488 -1.602 9.426 1.00 0.00 ATOM 415 CA ARG 67 -13.559 -2.279 10.317 1.00 0.00 ATOM 416 CB ARG 67 -13.991 -2.107 11.774 1.00 0.00 ATOM 417 CG ARG 67 -13.083 -2.798 12.778 1.00 0.00 ATOM 418 CD ARG 67 -13.543 -2.546 14.204 1.00 0.00 ATOM 419 NE ARG 67 -12.715 -3.252 15.179 1.00 0.00 ATOM 420 CZ ARG 67 -12.851 -3.139 16.497 1.00 0.00 ATOM 421 NH1 ARG 67 -12.052 -3.820 17.306 1.00 0.00 ATOM 422 NH2 ARG 67 -13.786 -2.345 17.000 1.00 0.00 ATOM 423 O ARG 67 -14.520 -4.449 9.978 1.00 0.00 ATOM 424 C ARG 67 -13.494 -3.771 10.017 1.00 0.00 ATOM 425 N LEU 68 -12.283 -4.270 9.790 1.00 0.00 ATOM 426 CA LEU 68 -12.058 -5.690 9.543 1.00 0.00 ATOM 427 CB LEU 68 -11.318 -5.893 8.219 1.00 0.00 ATOM 428 CG LEU 68 -10.956 -7.334 7.858 1.00 0.00 ATOM 429 CD1 LEU 68 -12.210 -8.155 7.597 1.00 0.00 ATOM 430 CD2 LEU 68 -10.092 -7.375 6.606 1.00 0.00 ATOM 431 O LEU 68 -10.213 -5.690 11.072 1.00 0.00 ATOM 432 C LEU 68 -11.221 -6.271 10.675 1.00 0.00 ATOM 433 N GLN 69 -11.636 -7.418 11.196 1.00 0.00 ATOM 434 CA GLN 69 -10.959 -7.990 12.345 1.00 0.00 ATOM 435 CB GLN 69 -11.792 -7.792 13.612 1.00 0.00 ATOM 436 CG GLN 69 -11.124 -8.293 14.882 1.00 0.00 ATOM 437 CD GLN 69 -11.951 -8.022 16.122 1.00 0.00 ATOM 438 OE1 GLN 69 -13.009 -7.397 16.051 1.00 0.00 ATOM 439 NE2 GLN 69 -11.471 -8.494 17.267 1.00 0.00 ATOM 440 O GLN 69 -11.606 -10.237 11.799 1.00 0.00 ATOM 441 C GLN 69 -10.710 -9.491 12.195 1.00 0.00 ATOM 442 N VAL 70 -9.484 -9.915 12.488 1.00 0.00 ATOM 443 CA VAL 70 -9.141 -11.331 12.620 1.00 0.00 ATOM 444 CB VAL 70 -7.844 -11.671 11.862 1.00 0.00 ATOM 445 CG1 VAL 70 -7.482 -13.135 12.055 1.00 0.00 ATOM 446 CG2 VAL 70 -8.012 -11.409 10.374 1.00 0.00 ATOM 447 O VAL 70 -8.151 -10.985 14.768 1.00 0.00 ATOM 448 C VAL 70 -8.948 -11.644 14.106 1.00 0.00 ATOM 449 N ASP 71 -9.645 -12.643 14.636 1.00 0.00 ATOM 450 CA ASP 71 -9.568 -12.869 16.081 1.00 0.00 ATOM 451 CB ASP 71 -10.706 -13.784 16.541 1.00 0.00 ATOM 452 CG ASP 71 -12.055 -13.093 16.514 1.00 0.00 ATOM 453 OD1 ASP 71 -12.085 -11.849 16.406 1.00 0.00 ATOM 454 OD2 ASP 71 -13.085 -13.795 16.600 1.00 0.00 ATOM 455 O ASP 71 -7.738 -13.161 17.577 1.00 0.00 ATOM 456 C ASP 71 -8.270 -13.525 16.535 1.00 0.00 ATOM 457 N GLU 72 -7.753 -14.467 15.753 1.00 0.00 ATOM 458 CA GLU 72 -6.480 -15.112 16.072 1.00 0.00 ATOM 459 CB GLU 72 -6.709 -16.558 16.518 1.00 0.00 ATOM 460 CG GLU 72 -7.411 -16.689 17.860 1.00 0.00 ATOM 461 CD GLU 72 -7.557 -18.132 18.302 1.00 0.00 ATOM 462 OE1 GLU 72 -7.059 -19.026 17.586 1.00 0.00 ATOM 463 OE2 GLU 72 -8.171 -18.369 19.364 1.00 0.00 ATOM 464 O GLU 72 -5.778 -15.793 13.873 1.00 0.00 ATOM 465 C GLU 72 -5.510 -15.163 14.896 1.00 0.00 ATOM 466 N GLY 73 -4.374 -14.499 15.065 1.00 0.00 ATOM 467 CA GLY 73 -3.304 -14.525 14.075 1.00 0.00 ATOM 468 O GLY 73 -2.299 -16.388 15.195 1.00 0.00 ATOM 469 C GLY 73 -2.551 -15.845 14.115 1.00 0.00 ATOM 470 N LYS 74 -2.184 -16.355 12.940 1.00 0.00 ATOM 471 CA LYS 74 -1.272 -17.482 12.852 1.00 0.00 ATOM 472 CB LYS 74 -1.685 -18.420 11.716 1.00 0.00 ATOM 473 CG LYS 74 -3.056 -19.048 11.899 1.00 0.00 ATOM 474 CD LYS 74 -3.383 -20.004 10.762 1.00 0.00 ATOM 475 CE LYS 74 -4.730 -20.673 10.971 1.00 0.00 ATOM 476 NZ LYS 74 -5.038 -21.653 9.893 1.00 0.00 ATOM 477 O LYS 74 0.245 -15.798 12.082 1.00 0.00 ATOM 478 C LYS 74 0.113 -16.916 12.586 1.00 0.00 ATOM 479 N ALA 75 1.142 -17.687 12.926 1.00 0.00 ATOM 480 CA ALA 75 2.509 -17.315 12.599 1.00 0.00 ATOM 481 CB ALA 75 3.468 -18.429 12.982 1.00 0.00 ATOM 482 O ALA 75 3.322 -16.165 10.645 1.00 0.00 ATOM 483 C ALA 75 2.605 -17.059 11.097 1.00 0.00 ATOM 484 N VAL 76 1.863 -17.854 10.326 1.00 0.00 ATOM 485 CA VAL 76 1.878 -17.756 8.867 1.00 0.00 ATOM 486 CB VAL 76 1.137 -18.936 8.214 1.00 0.00 ATOM 487 CG1 VAL 76 1.800 -20.254 8.589 1.00 0.00 ATOM 488 CG2 VAL 76 -0.311 -18.978 8.677 1.00 0.00 ATOM 489 O VAL 76 1.291 -16.203 7.126 1.00 0.00 ATOM 490 C VAL 76 1.210 -16.480 8.322 1.00 0.00 ATOM 491 N ILE 77 0.561 -15.705 9.198 1.00 0.00 ATOM 492 CA ILE 77 0.011 -14.397 8.821 1.00 0.00 ATOM 493 CB ILE 77 -1.145 -13.983 9.751 1.00 0.00 ATOM 494 CG1 ILE 77 -0.637 -13.795 11.183 1.00 0.00 ATOM 495 CG2 ILE 77 -2.230 -15.050 9.761 1.00 0.00 ATOM 496 CD1 ILE 77 -1.676 -13.239 12.131 1.00 0.00 ATOM 497 O ILE 77 0.751 -12.120 8.646 1.00 0.00 ATOM 498 C ILE 77 1.061 -13.284 8.891 1.00 0.00 ATOM 499 N GLU 78 2.293 -13.628 9.254 1.00 0.00 ATOM 500 CA GLU 78 3.350 -12.620 9.360 1.00 0.00 ATOM 501 CB GLU 78 4.555 -13.184 10.114 1.00 0.00 ATOM 502 CG GLU 78 5.659 -12.172 10.366 1.00 0.00 ATOM 503 CD GLU 78 6.814 -12.754 11.157 1.00 0.00 ATOM 504 OE1 GLU 78 6.750 -13.950 11.510 1.00 0.00 ATOM 505 OE2 GLU 78 7.785 -12.014 11.424 1.00 0.00 ATOM 506 O GLU 78 3.991 -13.061 7.085 1.00 0.00 ATOM 507 C GLU 78 3.782 -12.209 7.949 1.00 0.00 ATOM 508 N THR 79 3.887 -10.907 7.708 1.00 0.00 ATOM 509 CA THR 79 4.276 -10.417 6.398 1.00 0.00 ATOM 510 CB THR 79 4.326 -11.554 5.362 1.00 0.00 ATOM 511 CG2 THR 79 5.314 -12.627 5.797 1.00 0.00 ATOM 512 OG1 THR 79 3.027 -12.145 5.233 1.00 0.00 ATOM 513 O THR 79 2.662 -8.670 6.620 1.00 0.00 ATOM 514 C THR 79 3.317 -9.376 5.858 1.00 0.00 ATOM 515 N HIS 108 3.235 -9.288 4.536 1.00 0.00 ATOM 516 CA HIS 108 2.462 -8.241 3.885 1.00 0.00 ATOM 517 CB HIS 108 3.124 -7.826 2.569 1.00 0.00 ATOM 518 CG HIS 108 4.504 -7.269 2.736 1.00 0.00 ATOM 519 CD2 HIS 108 5.441 -7.131 3.841 1.00 0.00 ATOM 520 ND1 HIS 108 5.212 -6.709 1.695 1.00 0.00 ATOM 521 CE1 HIS 108 6.410 -6.301 2.150 1.00 0.00 ATOM 522 NE2 HIS 108 6.555 -6.550 3.437 1.00 0.00 ATOM 523 O HIS 108 0.826 -9.620 2.804 1.00 0.00 ATOM 524 C HIS 108 1.046 -8.675 3.559 1.00 0.00 ATOM 525 N LEU 109 0.091 -7.962 4.144 1.00 0.00 ATOM 526 CA LEU 109 -1.314 -8.161 3.861 1.00 0.00 ATOM 527 CB LEU 109 -2.159 -7.846 5.096 1.00 0.00 ATOM 528 CG LEU 109 -1.891 -8.699 6.338 1.00 0.00 ATOM 529 CD1 LEU 109 -2.736 -8.223 7.511 1.00 0.00 ATOM 530 CD2 LEU 109 -2.228 -10.158 6.071 1.00 0.00 ATOM 531 O LEU 109 -1.208 -6.120 2.615 1.00 0.00 ATOM 532 C LEU 109 -1.718 -7.235 2.723 1.00 0.00 ATOM 533 N LYS 110 -2.627 -7.695 1.871 1.00 0.00 ATOM 534 CA LYS 110 -3.089 -6.883 0.753 1.00 0.00 ATOM 535 CB LYS 110 -2.826 -7.600 -0.574 1.00 0.00 ATOM 536 CG LYS 110 -3.215 -6.795 -1.802 1.00 0.00 ATOM 537 CD LYS 110 -2.906 -7.557 -3.081 1.00 0.00 ATOM 538 CE LYS 110 -3.258 -6.735 -4.310 1.00 0.00 ATOM 539 NZ LYS 110 -2.886 -7.435 -5.572 1.00 0.00 ATOM 540 O LYS 110 -5.373 -7.570 0.925 1.00 0.00 ATOM 541 C LYS 110 -4.582 -6.628 0.887 1.00 0.00 ATOM 542 N LEU 111 -4.956 -5.356 0.977 1.00 0.00 ATOM 543 CA LEU 111 -6.349 -4.955 1.156 1.00 0.00 ATOM 544 CB LEU 111 -6.493 -4.054 2.385 1.00 0.00 ATOM 545 CG LEU 111 -7.895 -3.508 2.662 1.00 0.00 ATOM 546 CD1 LEU 111 -8.849 -4.634 3.033 1.00 0.00 ATOM 547 CD2 LEU 111 -7.865 -2.512 3.813 1.00 0.00 ATOM 548 O LEU 111 -6.259 -3.212 -0.485 1.00 0.00 ATOM 549 C LEU 111 -6.870 -4.185 -0.053 1.00 0.00 ATOM 550 N ALA 112 -8.004 -4.620 -0.594 1.00 0.00 ATOM 551 CA ALA 112 -8.617 -3.942 -1.730 1.00 0.00 ATOM 552 CB ALA 112 -8.982 -4.944 -2.813 1.00 0.00 ATOM 553 O ALA 112 -10.753 -3.805 -0.654 1.00 0.00 ATOM 554 C ALA 112 -9.886 -3.216 -1.298 1.00 0.00 ATOM 555 N MET 113 -9.990 -1.937 -1.652 1.00 0.00 ATOM 556 CA MET 113 -11.182 -1.149 -1.351 1.00 0.00 ATOM 557 CB MET 113 -10.793 0.221 -0.795 1.00 0.00 ATOM 558 CG MET 113 -10.082 0.166 0.549 1.00 0.00 ATOM 559 SD MET 113 -9.575 1.795 1.133 1.00 0.00 ATOM 560 CE MET 113 -8.074 2.042 0.189 1.00 0.00 ATOM 561 O MET 113 -11.498 -0.425 -3.607 1.00 0.00 ATOM 562 C MET 113 -12.000 -0.950 -2.620 1.00 0.00 ATOM 563 N THR 114 -13.257 -1.371 -2.596 1.00 0.00 ATOM 564 CA THR 114 -14.116 -1.217 -3.758 1.00 0.00 ATOM 565 CB THR 114 -14.865 -2.523 -4.082 1.00 0.00 ATOM 566 CG2 THR 114 -15.770 -2.332 -5.289 1.00 0.00 ATOM 567 OG1 THR 114 -13.919 -3.560 -4.371 1.00 0.00 ATOM 568 O THR 114 -15.862 -0.153 -2.496 1.00 0.00 ATOM 569 C THR 114 -15.151 -0.129 -3.501 1.00 0.00 ATOM 570 N GLY 119 -15.210 0.831 -4.414 1.00 0.00 ATOM 571 CA GLY 119 -16.114 1.964 -4.307 1.00 0.00 ATOM 572 O GLY 119 -15.534 2.582 -6.539 1.00 0.00 ATOM 573 C GLY 119 -16.436 2.443 -5.714 1.00 0.00 ATOM 574 N GLU 120 -17.717 2.674 -5.993 1.00 0.00 ATOM 575 CA GLU 120 -18.154 3.164 -7.306 1.00 0.00 ATOM 576 CB GLU 120 -17.714 4.615 -7.510 1.00 0.00 ATOM 577 CG GLU 120 -18.325 5.594 -6.520 1.00 0.00 ATOM 578 CD GLU 120 -17.888 7.024 -6.768 1.00 0.00 ATOM 579 OE1 GLU 120 -17.058 7.241 -7.676 1.00 0.00 ATOM 580 OE2 GLU 120 -18.375 7.926 -6.055 1.00 0.00 ATOM 581 O GLU 120 -17.295 2.951 -9.530 1.00 0.00 ATOM 582 C GLU 120 -17.596 2.373 -8.486 1.00 0.00 ATOM 583 N PRO 121 -17.457 1.059 -8.320 1.00 0.00 ATOM 584 CA PRO 121 -16.929 0.194 -9.379 1.00 0.00 ATOM 585 CB PRO 121 -17.515 0.781 -10.665 1.00 0.00 ATOM 586 CG PRO 121 -17.662 2.238 -10.377 1.00 0.00 ATOM 587 CD PRO 121 -18.046 2.340 -8.928 1.00 0.00 ATOM 588 O PRO 121 -14.791 -0.744 -9.944 1.00 0.00 ATOM 589 C PRO 121 -15.399 0.194 -9.428 1.00 0.00 ATOM 590 N PRO 122 -14.785 1.250 -8.897 1.00 0.00 ATOM 591 CA PRO 122 -13.326 1.360 -8.869 1.00 0.00 ATOM 592 CB PRO 122 -13.067 2.864 -8.946 1.00 0.00 ATOM 593 CG PRO 122 -14.206 3.480 -8.205 1.00 0.00 ATOM 594 CD PRO 122 -15.412 2.645 -8.529 1.00 0.00 ATOM 595 O PRO 122 -13.476 0.572 -6.601 1.00 0.00 ATOM 596 C PRO 122 -12.757 0.758 -7.585 1.00 0.00 ATOM 597 N LEU 123 -11.467 0.446 -7.598 1.00 0.00 ATOM 598 CA LEU 123 -10.813 -0.020 -6.383 1.00 0.00 ATOM 599 CB LEU 123 -10.785 -1.549 -6.343 1.00 0.00 ATOM 600 CG LEU 123 -10.074 -2.245 -7.505 1.00 0.00 ATOM 601 CD1 LEU 123 -8.572 -2.288 -7.270 1.00 0.00 ATOM 602 CD2 LEU 123 -10.571 -3.674 -7.661 1.00 0.00 ATOM 603 O LEU 123 -8.699 0.766 -7.223 1.00 0.00 ATOM 604 C LEU 123 -9.368 0.448 -6.241 1.00 0.00 ATOM 605 N ASN 124 -8.915 0.516 -4.994 1.00 0.00 ATOM 606 CA ASN 124 -7.535 0.857 -4.682 1.00 0.00 ATOM 607 CB ASN 124 -7.463 2.215 -3.981 1.00 0.00 ATOM 608 CG ASN 124 -7.959 3.349 -4.856 1.00 0.00 ATOM 609 ND2 ASN 124 -9.134 3.874 -4.531 1.00 0.00 ATOM 610 OD1 ASN 124 -7.291 3.746 -5.812 1.00 0.00 ATOM 611 O ASN 124 -7.677 -0.837 -2.994 1.00 0.00 ATOM 612 C ASN 124 -6.952 -0.207 -3.766 1.00 0.00 ATOM 613 N ASP 125 -5.644 -0.399 -3.849 1.00 0.00 ATOM 614 CA ASP 125 -4.999 -1.444 -3.079 1.00 0.00 ATOM 615 CB ASP 125 -4.152 -2.336 -3.989 1.00 0.00 ATOM 616 CG ASP 125 -4.986 -3.104 -4.994 1.00 0.00 ATOM 617 OD1 ASP 125 -5.938 -3.794 -4.572 1.00 0.00 ATOM 618 OD2 ASP 125 -4.690 -3.017 -6.203 1.00 0.00 ATOM 619 O ASP 125 -3.285 0.024 -2.239 1.00 0.00 ATOM 620 C ASP 125 -4.077 -0.892 -1.998 1.00 0.00 ATOM 621 N LEU 126 -4.200 -1.460 -0.804 1.00 0.00 ATOM 622 CA LEU 126 -3.347 -1.111 0.323 1.00 0.00 ATOM 623 CB LEU 126 -4.193 -0.713 1.533 1.00 0.00 ATOM 624 CG LEU 126 -5.128 0.484 1.343 1.00 0.00 ATOM 625 CD1 LEU 126 -5.969 0.711 2.590 1.00 0.00 ATOM 626 CD2 LEU 126 -4.331 1.749 1.071 1.00 0.00 ATOM 627 O LEU 126 -2.939 -3.450 0.617 1.00 0.00 ATOM 628 C LEU 126 -2.485 -2.313 0.688 1.00 0.00 ATOM 629 N PHE 127 -1.242 -2.063 1.072 1.00 0.00 ATOM 630 CA PHE 127 -0.406 -3.122 1.610 1.00 0.00 ATOM 631 CB PHE 127 0.834 -3.322 0.736 1.00 0.00 ATOM 632 CG PHE 127 0.524 -3.799 -0.655 1.00 0.00 ATOM 633 CD1 PHE 127 0.336 -2.894 -1.685 1.00 0.00 ATOM 634 CD2 PHE 127 0.420 -5.150 -0.932 1.00 0.00 ATOM 635 CE1 PHE 127 0.052 -3.333 -2.966 1.00 0.00 ATOM 636 CE2 PHE 127 0.135 -5.588 -2.212 1.00 0.00 ATOM 637 CZ PHE 127 -0.049 -4.686 -3.226 1.00 0.00 ATOM 638 O PHE 127 0.578 -1.674 3.245 1.00 0.00 ATOM 639 C PHE 127 0.038 -2.757 3.016 1.00 0.00 ATOM 640 N VAL 128 -0.221 -3.655 3.961 1.00 0.00 ATOM 641 CA VAL 128 0.110 -3.423 5.356 1.00 0.00 ATOM 642 CB VAL 128 -1.150 -3.419 6.243 1.00 0.00 ATOM 643 CG1 VAL 128 -0.774 -3.219 7.702 1.00 0.00 ATOM 644 CG2 VAL 128 -2.089 -2.295 5.829 1.00 0.00 ATOM 645 O VAL 128 0.733 -5.709 5.684 1.00 0.00 ATOM 646 C VAL 128 1.038 -4.526 5.837 1.00 0.00 ATOM 647 N GLN 129 2.163 -4.145 6.424 1.00 0.00 ATOM 648 CA GLN 129 3.077 -5.128 6.990 1.00 0.00 ATOM 649 CB GLN 129 4.511 -4.596 6.976 1.00 0.00 ATOM 650 CG GLN 129 5.067 -4.348 5.583 1.00 0.00 ATOM 651 CD GLN 129 6.468 -3.767 5.611 1.00 0.00 ATOM 652 OE1 GLN 129 7.030 -3.526 6.679 1.00 0.00 ATOM 653 NE2 GLN 129 7.036 -3.541 4.432 1.00 0.00 ATOM 654 O GLN 129 2.598 -4.581 9.276 1.00 0.00 ATOM 655 C GLN 129 2.718 -5.464 8.431 1.00 0.00 TER END