PFRMAT TS TARGET T0459 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 T0459 model 2 Tue Jun 17 13:41:25 2008 MODEL 2 PARENT N/A ATOM 2 N ASP 15 0.336 5.836 16.053 1.00 0.00 ATOM 3 CA ASP 15 -0.415 4.606 16.282 1.00 0.00 ATOM 4 CB ASP 15 -1.918 4.868 16.174 1.00 0.00 ATOM 5 CG ASP 15 -2.471 5.599 17.383 1.00 0.00 ATOM 6 OD1 ASP 15 -1.718 5.779 18.363 1.00 0.00 ATOM 7 OD2 ASP 15 -3.656 5.991 17.348 1.00 0.00 ATOM 8 O ASP 15 0.689 3.820 14.297 1.00 0.00 ATOM 9 C ASP 15 -0.040 3.543 15.254 1.00 0.00 ATOM 10 N PRO 16 -0.534 2.329 15.457 1.00 0.00 ATOM 11 CA PRO 16 -0.248 1.240 14.538 1.00 0.00 ATOM 12 CB PRO 16 -0.862 0.014 15.215 1.00 0.00 ATOM 13 CG PRO 16 -0.875 0.356 16.668 1.00 0.00 ATOM 14 CD PRO 16 -1.166 1.827 16.746 1.00 0.00 ATOM 15 O PRO 16 -0.245 1.354 12.131 1.00 0.00 ATOM 16 C PRO 16 -0.892 1.522 13.168 1.00 0.00 ATOM 17 N SER 17 -2.156 1.944 13.159 1.00 0.00 ATOM 18 CA SER 17 -2.819 2.232 11.880 1.00 0.00 ATOM 19 CB SER 17 -4.256 2.703 12.116 1.00 0.00 ATOM 20 OG SER 17 -5.048 1.666 12.668 1.00 0.00 ATOM 21 O SER 17 -1.871 3.225 9.924 1.00 0.00 ATOM 22 C SER 17 -2.071 3.323 11.131 1.00 0.00 ATOM 23 N GLU 18 -1.658 4.364 11.843 1.00 0.00 ATOM 24 CA GLU 18 -0.921 5.447 11.209 1.00 0.00 ATOM 25 CB GLU 18 -0.546 6.515 12.237 1.00 0.00 ATOM 26 CG GLU 18 -1.725 7.328 12.746 1.00 0.00 ATOM 27 CD GLU 18 -1.335 8.289 13.852 1.00 0.00 ATOM 28 OE1 GLU 18 -0.158 8.268 14.270 1.00 0.00 ATOM 29 OE2 GLU 18 -2.205 9.064 14.299 1.00 0.00 ATOM 30 O GLU 18 0.708 5.345 9.453 1.00 0.00 ATOM 31 C GLU 18 0.367 4.937 10.563 1.00 0.00 ATOM 32 N SER 19 1.077 4.035 11.244 1.00 0.00 ATOM 33 CA SER 19 2.309 3.489 10.684 1.00 0.00 ATOM 34 CB SER 19 2.893 2.422 11.612 1.00 0.00 ATOM 35 OG SER 19 3.329 2.995 12.833 1.00 0.00 ATOM 36 O SER 19 2.738 3.093 8.343 1.00 0.00 ATOM 37 C SER 19 2.024 2.850 9.318 1.00 0.00 ATOM 38 N VAL 20 0.969 2.046 9.248 1.00 0.00 ATOM 39 CA VAL 20 0.594 1.387 8.000 1.00 0.00 ATOM 40 CB VAL 20 -0.609 0.447 8.198 1.00 0.00 ATOM 41 CG1 VAL 20 -1.107 -0.073 6.857 1.00 0.00 ATOM 42 CG2 VAL 20 -0.219 -0.745 9.060 1.00 0.00 ATOM 43 O VAL 20 0.620 2.266 5.754 1.00 0.00 ATOM 44 C VAL 20 0.205 2.403 6.914 1.00 0.00 ATOM 45 N LEU 21 -0.572 3.422 7.287 1.00 0.00 ATOM 46 CA LEU 21 -0.987 4.450 6.326 1.00 0.00 ATOM 47 CB LEU 21 -1.985 5.413 6.971 1.00 0.00 ATOM 48 CG LEU 21 -3.358 4.834 7.321 1.00 0.00 ATOM 49 CD1 LEU 21 -4.191 5.848 8.090 1.00 0.00 ATOM 50 CD2 LEU 21 -4.118 4.454 6.059 1.00 0.00 ATOM 51 O LEU 21 0.120 5.855 4.731 1.00 0.00 ATOM 52 C LEU 21 0.187 5.282 5.819 1.00 0.00 ATOM 53 N HIS 22 1.258 5.369 6.605 1.00 0.00 ATOM 54 CA HIS 22 2.439 6.109 6.155 1.00 0.00 ATOM 55 CB HIS 22 3.501 6.144 7.256 1.00 0.00 ATOM 56 CG HIS 22 3.135 7.008 8.422 1.00 0.00 ATOM 57 CD2 HIS 22 2.132 8.030 8.682 1.00 0.00 ATOM 58 ND1 HIS 22 3.802 6.956 9.626 1.00 0.00 ATOM 59 CE1 HIS 22 3.248 7.842 10.473 1.00 0.00 ATOM 60 NE2 HIS 22 2.245 8.492 9.912 1.00 0.00 ATOM 61 O HIS 22 3.507 6.017 3.998 1.00 0.00 ATOM 62 C HIS 22 2.985 5.391 4.924 1.00 0.00 ATOM 63 N LEU 23 2.840 4.068 4.910 1.00 0.00 ATOM 64 CA LEU 23 3.337 3.266 3.802 1.00 0.00 ATOM 65 CB LEU 23 3.651 1.843 4.268 1.00 0.00 ATOM 66 CG LEU 23 4.753 1.704 5.323 1.00 0.00 ATOM 67 CD1 LEU 23 4.871 0.261 5.788 1.00 0.00 ATOM 68 CD2 LEU 23 6.097 2.132 4.754 1.00 0.00 ATOM 69 O LEU 23 2.778 3.176 1.471 1.00 0.00 ATOM 70 C LEU 23 2.365 3.125 2.632 1.00 0.00 ATOM 71 N LEU 24 1.080 2.961 2.929 1.00 0.00 ATOM 72 CA LEU 24 0.093 2.759 1.875 1.00 0.00 ATOM 73 CB LEU 24 -0.663 1.447 2.094 1.00 0.00 ATOM 74 CG LEU 24 0.176 0.167 2.059 1.00 0.00 ATOM 75 CD1 LEU 24 -0.664 -1.037 2.458 1.00 0.00 ATOM 76 CD2 LEU 24 0.723 -0.077 0.661 1.00 0.00 ATOM 77 O LEU 24 -1.824 3.731 0.817 1.00 0.00 ATOM 78 C LEU 24 -0.999 3.824 1.726 1.00 0.00 ATOM 79 N GLY 25 -1.008 4.824 2.599 1.00 0.00 ATOM 80 CA GLY 25 -2.038 5.852 2.529 1.00 0.00 ATOM 81 O GLY 25 -2.828 7.602 1.108 1.00 0.00 ATOM 82 C GLY 25 -1.853 6.965 1.509 1.00 0.00 ATOM 83 N LYS 26 -0.612 7.211 1.100 1.00 0.00 ATOM 84 CA LYS 26 -0.349 8.257 0.125 1.00 0.00 ATOM 85 CB LYS 26 1.135 8.278 -0.252 1.00 0.00 ATOM 86 CG LYS 26 2.057 8.685 0.886 1.00 0.00 ATOM 87 CD LYS 26 3.510 8.707 0.437 1.00 0.00 ATOM 88 CE LYS 26 4.434 9.093 1.581 1.00 0.00 ATOM 89 NZ LYS 26 5.860 9.135 1.152 1.00 0.00 ATOM 90 O LYS 26 -1.430 6.892 -1.505 1.00 0.00 ATOM 91 C LYS 26 -1.155 8.032 -1.139 1.00 0.00 ATOM 92 N LYS 27 -1.541 9.107 -1.817 1.00 0.00 ATOM 93 CA LYS 27 -2.339 8.956 -3.030 1.00 0.00 ATOM 94 CB LYS 27 -2.634 10.323 -3.652 1.00 0.00 ATOM 95 CG LYS 27 -3.529 10.266 -4.879 1.00 0.00 ATOM 96 CD LYS 27 -3.853 11.660 -5.391 1.00 0.00 ATOM 97 CE LYS 27 -4.733 11.604 -6.628 1.00 0.00 ATOM 98 NZ LYS 27 -5.069 12.963 -7.133 1.00 0.00 ATOM 99 O LYS 27 -0.463 8.336 -4.400 1.00 0.00 ATOM 100 C LYS 27 -1.639 8.115 -4.094 1.00 0.00 ATOM 101 N TYR 28 -2.375 7.145 -4.637 1.00 0.00 ATOM 102 CA TYR 28 -1.884 6.247 -5.677 1.00 0.00 ATOM 103 CB TYR 28 -0.974 7.000 -6.650 1.00 0.00 ATOM 104 CG TYR 28 -1.685 8.068 -7.451 1.00 0.00 ATOM 105 CD1 TYR 28 -3.068 8.066 -7.570 1.00 0.00 ATOM 106 CD2 TYR 28 -0.969 9.075 -8.086 1.00 0.00 ATOM 107 CE1 TYR 28 -3.726 9.039 -8.299 1.00 0.00 ATOM 108 CE2 TYR 28 -1.609 10.056 -8.821 1.00 0.00 ATOM 109 CZ TYR 28 -3.001 10.030 -8.923 1.00 0.00 ATOM 110 OH TYR 28 -3.652 10.999 -9.650 1.00 0.00 ATOM 111 O TYR 28 -0.988 4.044 -5.876 1.00 0.00 ATOM 112 C TYR 28 -1.070 5.056 -5.185 1.00 0.00 ATOM 116 N ILE 32 -0.764 1.575 -7.153 1.00 0.00 ATOM 117 CA ILE 32 0.515 1.179 -7.740 1.00 0.00 ATOM 118 CB ILE 32 1.665 2.077 -7.246 1.00 0.00 ATOM 119 CG1 ILE 32 1.420 3.530 -7.658 1.00 0.00 ATOM 120 CG2 ILE 32 2.988 1.624 -7.844 1.00 0.00 ATOM 121 CD1 ILE 32 2.391 4.512 -7.038 1.00 0.00 ATOM 122 O ILE 32 1.066 -1.114 -8.191 1.00 0.00 ATOM 123 C ILE 32 0.813 -0.264 -7.342 1.00 0.00 ATOM 127 N LEU 36 1.233 -3.671 -9.610 1.00 0.00 ATOM 128 CA LEU 36 2.439 -4.485 -9.527 1.00 0.00 ATOM 129 CB LEU 36 3.404 -3.907 -8.489 1.00 0.00 ATOM 130 CG LEU 36 4.021 -2.547 -8.820 1.00 0.00 ATOM 131 CD1 LEU 36 4.858 -2.039 -7.656 1.00 0.00 ATOM 132 CD2 LEU 36 4.918 -2.646 -10.043 1.00 0.00 ATOM 133 O LEU 36 3.105 -6.761 -9.219 1.00 0.00 ATOM 134 C LEU 36 2.196 -5.940 -9.126 1.00 0.00 ATOM 135 N GLY 37 0.986 -6.271 -8.680 1.00 0.00 ATOM 136 CA GLY 37 0.705 -7.651 -8.297 1.00 0.00 ATOM 137 O GLY 37 0.642 -9.743 -9.466 1.00 0.00 ATOM 138 C GLY 37 0.646 -8.517 -9.545 1.00 0.00 ATOM 139 N ASN 38 0.595 -7.869 -10.703 1.00 0.00 ATOM 140 CA ASN 38 0.543 -8.596 -11.966 1.00 0.00 ATOM 141 CB ASN 38 -0.237 -7.796 -13.011 1.00 0.00 ATOM 142 CG ASN 38 -1.713 -7.686 -12.680 1.00 0.00 ATOM 143 ND2 ASN 38 -2.353 -6.636 -13.179 1.00 0.00 ATOM 144 OD1 ASN 38 -2.267 -8.535 -11.982 1.00 0.00 ATOM 145 O ASN 38 2.119 -9.700 -13.393 1.00 0.00 ATOM 146 C ASN 38 1.941 -8.854 -12.519 1.00 0.00 ATOM 147 N GLY 39 2.930 -8.129 -12.006 1.00 0.00 ATOM 148 CA GLY 39 4.293 -8.309 -12.473 1.00 0.00 ATOM 149 O GLY 39 4.512 -5.930 -12.320 1.00 0.00 ATOM 150 C GLY 39 5.075 -7.010 -12.505 1.00 0.00 ATOM 151 N SER 40 6.377 -7.111 -12.737 1.00 0.00 ATOM 152 CA SER 40 7.232 -5.934 -12.790 1.00 0.00 ATOM 153 CB SER 40 8.687 -6.339 -13.025 1.00 0.00 ATOM 154 OG SER 40 8.861 -6.904 -14.312 1.00 0.00 ATOM 155 O SER 40 6.241 -5.467 -14.923 1.00 0.00 ATOM 156 C SER 40 6.799 -5.009 -13.927 1.00 0.00 ATOM 157 N THR 41 7.052 -3.711 -13.768 1.00 0.00 ATOM 158 CA THR 41 6.692 -2.721 -14.779 1.00 0.00 ATOM 159 CB THR 41 5.229 -2.265 -14.626 1.00 0.00 ATOM 160 CG2 THR 41 5.030 -1.547 -13.301 1.00 0.00 ATOM 161 OG1 THR 41 4.889 -1.372 -15.694 1.00 0.00 ATOM 162 O THR 41 8.079 -1.184 -13.574 1.00 0.00 ATOM 163 C THR 41 7.584 -1.490 -14.658 1.00 0.00 ATOM 164 N ARG 42 7.808 -0.786 -15.764 1.00 0.00 ATOM 165 CA ARG 42 8.622 0.425 -15.700 1.00 0.00 ATOM 166 CB ARG 42 9.453 0.580 -16.975 1.00 0.00 ATOM 167 CG ARG 42 8.631 0.868 -18.222 1.00 0.00 ATOM 168 CD ARG 42 9.517 0.980 -19.452 1.00 0.00 ATOM 169 NE ARG 42 8.742 1.263 -20.659 1.00 0.00 ATOM 170 CZ ARG 42 9.261 1.324 -21.881 1.00 0.00 ATOM 171 NH1 ARG 42 8.479 1.589 -22.920 1.00 0.00 ATOM 172 NH2 ARG 42 10.558 1.123 -22.062 1.00 0.00 ATOM 173 O ARG 42 6.470 1.451 -15.717 1.00 0.00 ATOM 174 C ARG 42 7.672 1.608 -15.553 1.00 0.00 ATOM 175 N PHE 45 8.202 2.782 -15.223 1.00 0.00 ATOM 176 CA PHE 45 7.355 3.960 -15.043 1.00 0.00 ATOM 177 CB PHE 45 8.215 5.215 -14.878 1.00 0.00 ATOM 178 CG PHE 45 7.417 6.479 -14.724 1.00 0.00 ATOM 179 CD1 PHE 45 6.881 6.830 -13.498 1.00 0.00 ATOM 180 CD2 PHE 45 7.202 7.317 -15.804 1.00 0.00 ATOM 181 CE1 PHE 45 6.147 7.992 -13.354 1.00 0.00 ATOM 182 CE2 PHE 45 6.469 8.479 -15.662 1.00 0.00 ATOM 183 CZ PHE 45 5.942 8.819 -14.444 1.00 0.00 ATOM 184 O PHE 45 5.249 4.610 -15.994 1.00 0.00 ATOM 185 C PHE 45 6.403 4.240 -16.210 1.00 0.00 ATOM 186 N ASN 46 6.874 4.050 -17.438 1.00 0.00 ATOM 187 CA ASN 46 6.047 4.304 -18.616 1.00 0.00 ATOM 188 CB ASN 46 6.822 3.979 -19.895 1.00 0.00 ATOM 189 CG ASN 46 7.895 5.005 -20.203 1.00 0.00 ATOM 190 ND2 ASN 46 8.864 4.617 -21.024 1.00 0.00 ATOM 191 OD1 ASN 46 7.852 6.130 -19.707 1.00 0.00 ATOM 192 O ASN 46 3.689 3.975 -18.921 1.00 0.00 ATOM 193 C ASN 46 4.771 3.463 -18.635 1.00 0.00 ATOM 194 N ASP 47 4.891 2.176 -18.322 1.00 0.00 ATOM 195 CA ASP 47 3.726 1.299 -18.310 1.00 0.00 ATOM 196 CB ASP 47 4.144 -0.144 -18.024 1.00 0.00 ATOM 197 CG ASP 47 4.856 -0.787 -19.198 1.00 0.00 ATOM 198 OD1 ASP 47 4.817 -0.211 -20.307 1.00 0.00 ATOM 199 OD2 ASP 47 5.454 -1.869 -19.013 1.00 0.00 ATOM 200 O ASP 47 1.551 1.899 -17.466 1.00 0.00 ATOM 201 C ASP 47 2.751 1.754 -17.222 1.00 0.00 ATOM 202 N ILE 48 3.274 1.977 -16.020 1.00 0.00 ATOM 203 CA ILE 48 2.443 2.413 -14.902 1.00 0.00 ATOM 204 CB ILE 48 3.294 2.726 -13.656 1.00 0.00 ATOM 205 CG1 ILE 48 3.911 1.443 -13.097 1.00 0.00 ATOM 206 CG2 ILE 48 2.435 3.359 -12.572 1.00 0.00 ATOM 207 CD1 ILE 48 4.960 1.683 -12.034 1.00 0.00 ATOM 208 O ILE 48 0.535 3.871 -14.841 1.00 0.00 ATOM 209 C ILE 48 1.673 3.676 -15.274 1.00 0.00 ATOM 210 N ARG 49 2.300 4.524 -16.084 1.00 0.00 ATOM 211 CA ARG 49 1.670 5.754 -16.556 1.00 0.00 ATOM 212 CB ARG 49 2.642 6.556 -17.422 1.00 0.00 ATOM 213 CG ARG 49 2.081 7.877 -17.926 1.00 0.00 ATOM 214 CD ARG 49 3.134 8.672 -18.681 1.00 0.00 ATOM 215 NE ARG 49 2.598 9.925 -19.209 1.00 0.00 ATOM 216 CZ ARG 49 3.296 10.781 -19.949 1.00 0.00 ATOM 217 NH1 ARG 49 2.724 11.896 -20.385 1.00 0.00 ATOM 218 NH2 ARG 49 4.560 10.522 -20.250 1.00 0.00 ATOM 219 O ARG 49 -0.615 6.079 -17.252 1.00 0.00 ATOM 220 C ARG 49 0.429 5.435 -17.391 1.00 0.00 ATOM 221 N SER 50 0.553 4.435 -18.258 1.00 0.00 ATOM 222 CA SER 50 -0.543 4.009 -19.126 1.00 0.00 ATOM 223 CB SER 50 -0.059 2.952 -20.121 1.00 0.00 ATOM 224 OG SER 50 0.884 3.499 -21.027 1.00 0.00 ATOM 225 O SER 50 -2.860 3.563 -18.681 1.00 0.00 ATOM 226 C SER 50 -1.694 3.404 -18.323 1.00 0.00 ATOM 227 N SER 51 -1.360 2.701 -17.245 1.00 0.00 ATOM 228 CA SER 51 -2.365 2.060 -16.411 1.00 0.00 ATOM 229 CB SER 51 -1.731 0.960 -15.557 1.00 0.00 ATOM 230 OG SER 51 -0.832 1.506 -14.607 1.00 0.00 ATOM 231 O SER 51 -4.170 2.784 -15.011 1.00 0.00 ATOM 232 C SER 51 -3.051 3.030 -15.457 1.00 0.00 ATOM 233 N ILE 52 -2.373 4.130 -15.152 1.00 0.00 ATOM 234 CA ILE 52 -2.887 5.150 -14.244 1.00 0.00 ATOM 235 CB ILE 52 -2.065 5.213 -12.943 1.00 0.00 ATOM 236 CG1 ILE 52 -1.971 3.826 -12.303 1.00 0.00 ATOM 237 CG2 ILE 52 -2.717 6.159 -11.946 1.00 0.00 ATOM 238 CD1 ILE 52 -1.127 3.788 -11.050 1.00 0.00 ATOM 239 O ILE 52 -1.932 7.320 -14.687 1.00 0.00 ATOM 240 C ILE 52 -2.793 6.485 -14.979 1.00 0.00 ATOM 241 N PRO 53 -3.702 6.699 -15.945 1.00 0.00 ATOM 242 CA PRO 53 -3.789 7.896 -16.782 1.00 0.00 ATOM 243 CB PRO 53 -5.015 7.642 -17.664 1.00 0.00 ATOM 244 CG PRO 53 -5.858 6.702 -16.869 1.00 0.00 ATOM 245 CD PRO 53 -4.902 5.800 -16.141 1.00 0.00 ATOM 246 O PRO 53 -3.828 10.279 -16.698 1.00 0.00 ATOM 247 C PRO 53 -3.965 9.228 -16.077 1.00 0.00 ATOM 248 N GLY 54 -4.258 9.205 -14.787 1.00 0.00 ATOM 249 CA GLY 54 -4.441 10.463 -14.083 1.00 0.00 ATOM 250 O GLY 54 -3.313 11.996 -12.637 1.00 0.00 ATOM 251 C GLY 54 -3.295 10.892 -13.180 1.00 0.00 ATOM 252 N ILE 55 -2.286 10.043 -13.022 1.00 0.00 ATOM 253 CA ILE 55 -1.158 10.410 -12.171 1.00 0.00 ATOM 254 CB ILE 55 -0.485 9.168 -11.559 1.00 0.00 ATOM 255 CG1 ILE 55 -1.465 8.425 -10.648 1.00 0.00 ATOM 256 CG2 ILE 55 0.729 9.571 -10.735 1.00 0.00 ATOM 257 CD1 ILE 55 -0.982 7.057 -10.218 1.00 0.00 ATOM 258 O ILE 55 0.185 10.824 -14.117 1.00 0.00 ATOM 259 C ILE 55 -0.094 11.170 -12.969 1.00 0.00 ATOM 260 N SER 56 0.480 12.209 -12.362 1.00 0.00 ATOM 261 CA SER 56 1.520 13.002 -13.022 1.00 0.00 ATOM 262 CB SER 56 1.625 14.387 -12.381 1.00 0.00 ATOM 263 OG SER 56 2.102 14.300 -11.050 1.00 0.00 ATOM 264 O SER 56 3.087 11.503 -11.976 1.00 0.00 ATOM 265 C SER 56 2.872 12.300 -12.893 1.00 0.00 ATOM 266 N SER 57 3.776 12.603 -13.817 1.00 0.00 ATOM 267 CA SER 57 5.106 12.008 -13.817 1.00 0.00 ATOM 268 CB SER 57 5.956 12.591 -14.948 1.00 0.00 ATOM 269 OG SER 57 5.435 12.228 -16.215 1.00 0.00 ATOM 270 O SER 57 6.475 11.373 -11.957 1.00 0.00 ATOM 271 C SER 57 5.831 12.269 -12.503 1.00 0.00 ATOM 272 N THR 58 5.722 13.496 -12.003 1.00 0.00 ATOM 273 CA THR 58 6.373 13.878 -10.756 1.00 0.00 ATOM 274 CB THR 58 6.179 15.376 -10.453 1.00 0.00 ATOM 275 CG2 THR 58 6.831 15.739 -9.127 1.00 0.00 ATOM 276 OG1 THR 58 6.777 16.158 -11.494 1.00 0.00 ATOM 277 O THR 58 6.563 12.579 -8.757 1.00 0.00 ATOM 278 C THR 58 5.810 13.095 -9.578 1.00 0.00 ATOM 279 N ILE 59 4.485 13.021 -9.498 1.00 0.00 ATOM 280 CA ILE 59 3.820 12.302 -8.418 1.00 0.00 ATOM 281 CB ILE 59 2.288 12.409 -8.529 1.00 0.00 ATOM 282 CG1 ILE 59 1.834 13.847 -8.277 1.00 0.00 ATOM 283 CG2 ILE 59 1.616 11.505 -7.507 1.00 0.00 ATOM 284 CD1 ILE 59 0.384 14.101 -8.629 1.00 0.00 ATOM 285 O ILE 59 4.497 10.244 -7.382 1.00 0.00 ATOM 286 C ILE 59 4.174 10.812 -8.426 1.00 0.00 ATOM 287 N LEU 60 4.108 10.184 -9.598 1.00 0.00 ATOM 288 CA LEU 60 4.443 8.768 -9.714 1.00 0.00 ATOM 289 CB LEU 60 4.352 8.313 -11.173 1.00 0.00 ATOM 290 CG LEU 60 2.947 8.237 -11.773 1.00 0.00 ATOM 291 CD1 LEU 60 3.014 7.962 -13.267 1.00 0.00 ATOM 292 CD2 LEU 60 2.144 7.122 -11.120 1.00 0.00 ATOM 293 O LEU 60 6.115 7.689 -8.376 1.00 0.00 ATOM 294 C LEU 60 5.864 8.558 -9.207 1.00 0.00 ATOM 295 N SER 61 6.790 9.368 -9.711 1.00 0.00 ATOM 296 CA SER 61 8.187 9.283 -9.303 1.00 0.00 ATOM 297 CB SER 61 8.999 10.417 -9.932 1.00 0.00 ATOM 298 OG SER 61 9.076 10.268 -11.340 1.00 0.00 ATOM 299 O SER 61 8.999 8.599 -7.150 1.00 0.00 ATOM 300 C SER 61 8.302 9.389 -7.782 1.00 0.00 ATOM 301 N ARG 62 7.610 10.361 -7.199 1.00 0.00 ATOM 302 CA ARG 62 7.632 10.552 -5.751 1.00 0.00 ATOM 303 CB ARG 62 6.715 11.708 -5.348 1.00 0.00 ATOM 304 CG ARG 62 7.231 13.079 -5.753 1.00 0.00 ATOM 305 CD ARG 62 6.251 14.175 -5.365 1.00 0.00 ATOM 306 NE ARG 62 6.710 15.495 -5.791 1.00 0.00 ATOM 307 CZ ARG 62 6.015 16.616 -5.625 1.00 0.00 ATOM 308 NH1 ARG 62 6.512 17.772 -6.045 1.00 0.00 ATOM 309 NH2 ARG 62 4.825 16.579 -5.041 1.00 0.00 ATOM 310 O ARG 62 7.833 8.820 -4.089 1.00 0.00 ATOM 311 C ARG 62 7.160 9.301 -5.001 1.00 0.00 ATOM 312 N ARG 63 6.000 8.780 -5.390 1.00 0.00 ATOM 313 CA ARG 63 5.437 7.612 -4.728 1.00 0.00 ATOM 314 CB ARG 63 4.047 7.298 -5.284 1.00 0.00 ATOM 315 CG ARG 63 3.386 6.083 -4.654 1.00 0.00 ATOM 316 CD ARG 63 3.152 6.292 -3.167 1.00 0.00 ATOM 317 NE ARG 63 2.474 5.152 -2.554 1.00 0.00 ATOM 318 CZ ARG 63 2.336 4.982 -1.242 1.00 0.00 ATOM 319 NH1 ARG 63 1.705 3.913 -0.775 1.00 0.00 ATOM 320 NH2 ARG 63 2.830 5.879 -0.402 1.00 0.00 ATOM 321 O ARG 63 6.383 5.550 -3.943 1.00 0.00 ATOM 322 C ARG 63 6.263 6.335 -4.886 1.00 0.00 ATOM 323 N ILE 64 6.821 6.111 -6.071 1.00 0.00 ATOM 324 CA ILE 64 7.632 4.919 -6.279 1.00 0.00 ATOM 325 CB ILE 64 8.151 4.835 -7.727 1.00 0.00 ATOM 326 CG1 ILE 64 6.990 4.594 -8.696 1.00 0.00 ATOM 327 CG2 ILE 64 9.143 3.692 -7.871 1.00 0.00 ATOM 328 CD1 ILE 64 7.364 4.761 -10.152 1.00 0.00 ATOM 329 O ILE 64 9.253 3.916 -4.818 1.00 0.00 ATOM 330 C ILE 64 8.835 4.948 -5.339 1.00 0.00 ATOM 331 N LYS 65 9.374 6.138 -5.104 1.00 0.00 ATOM 332 CA LYS 65 10.528 6.281 -4.225 1.00 0.00 ATOM 333 CB LYS 65 11.083 7.704 -4.295 1.00 0.00 ATOM 334 CG LYS 65 11.764 8.042 -5.612 1.00 0.00 ATOM 335 CD LYS 65 12.294 9.465 -5.611 1.00 0.00 ATOM 336 CE LYS 65 12.945 9.813 -6.940 1.00 0.00 ATOM 337 NZ LYS 65 13.449 11.215 -6.961 1.00 0.00 ATOM 338 O LYS 65 10.940 5.361 -2.047 1.00 0.00 ATOM 339 C LYS 65 10.171 5.993 -2.771 1.00 0.00 ATOM 340 N ASP 66 9.008 6.461 -2.337 1.00 0.00 ATOM 341 CA ASP 66 8.596 6.223 -0.961 1.00 0.00 ATOM 342 CB ASP 66 7.329 7.017 -0.636 1.00 0.00 ATOM 343 CG ASP 66 7.563 8.515 -0.643 1.00 0.00 ATOM 344 OD1 ASP 66 8.551 8.965 -0.026 1.00 0.00 ATOM 345 OD2 ASP 66 6.757 9.238 -1.266 1.00 0.00 ATOM 346 O ASP 66 8.707 4.146 0.232 1.00 0.00 ATOM 347 C ASP 66 8.314 4.734 -0.772 1.00 0.00 ATOM 348 N LEU 67 7.643 4.127 -1.744 1.00 0.00 ATOM 349 CA LEU 67 7.323 2.703 -1.670 1.00 0.00 ATOM 350 CB LEU 67 6.532 2.266 -2.904 1.00 0.00 ATOM 351 CG LEU 67 5.104 2.802 -3.019 1.00 0.00 ATOM 352 CD1 LEU 67 4.501 2.442 -4.368 1.00 0.00 ATOM 353 CD2 LEU 67 4.219 2.211 -1.931 1.00 0.00 ATOM 354 O LEU 67 8.635 0.837 -0.891 1.00 0.00 ATOM 355 C LEU 67 8.598 1.854 -1.594 1.00 0.00 ATOM 356 N ILE 68 9.637 2.268 -2.319 1.00 0.00 ATOM 357 CA ILE 68 10.895 1.523 -2.306 1.00 0.00 ATOM 358 CB ILE 68 11.865 2.036 -3.386 1.00 0.00 ATOM 359 CG1 ILE 68 11.324 1.720 -4.782 1.00 0.00 ATOM 360 CG2 ILE 68 13.227 1.375 -3.236 1.00 0.00 ATOM 361 CD1 ILE 68 12.074 2.412 -5.898 1.00 0.00 ATOM 362 O ILE 68 12.021 0.728 -0.354 1.00 0.00 ATOM 363 C ILE 68 11.547 1.690 -0.941 1.00 0.00 ATOM 364 N ASP 69 11.554 2.921 -0.441 1.00 0.00 ATOM 365 CA ASP 69 12.146 3.226 0.854 1.00 0.00 ATOM 366 CB ASP 69 12.001 4.716 1.172 1.00 0.00 ATOM 367 CG ASP 69 12.923 5.582 0.337 1.00 0.00 ATOM 368 OD1 ASP 69 13.835 5.026 -0.311 1.00 0.00 ATOM 369 OD2 ASP 69 12.735 6.816 0.330 1.00 0.00 ATOM 370 O ASP 69 12.146 2.043 2.935 1.00 0.00 ATOM 371 C ASP 69 11.479 2.444 1.980 1.00 0.00 ATOM 372 N SER 70 10.169 2.232 1.879 1.00 0.00 ATOM 373 CA SER 70 9.456 1.481 2.906 1.00 0.00 ATOM 374 CB SER 70 7.964 1.820 2.880 1.00 0.00 ATOM 375 OG SER 70 7.360 1.371 1.680 1.00 0.00 ATOM 376 O SER 70 9.012 -0.815 3.459 1.00 0.00 ATOM 377 C SER 70 9.592 -0.028 2.709 1.00 0.00 ATOM 378 N GLY 71 10.339 -0.420 1.682 1.00 0.00 ATOM 379 CA GLY 71 10.581 -1.831 1.419 1.00 0.00 ATOM 380 O GLY 71 9.611 -3.913 0.776 1.00 0.00 ATOM 381 C GLY 71 9.489 -2.688 0.803 1.00 0.00 ATOM 382 N LEU 72 8.435 -2.075 0.279 1.00 0.00 ATOM 383 CA LEU 72 7.354 -2.863 -0.299 1.00 0.00 ATOM 384 CB LEU 72 6.018 -2.134 -0.142 1.00 0.00 ATOM 385 CG LEU 72 5.541 -1.892 1.291 1.00 0.00 ATOM 386 CD1 LEU 72 4.258 -1.075 1.300 1.00 0.00 ATOM 387 CD2 LEU 72 5.269 -3.212 1.998 1.00 0.00 ATOM 388 O LEU 72 6.834 -3.986 -2.354 1.00 0.00 ATOM 389 C LEU 72 7.531 -3.145 -1.793 1.00 0.00 ATOM 390 N VAL 73 8.453 -2.434 -2.432 1.00 0.00 ATOM 391 CA VAL 73 8.743 -2.668 -3.842 1.00 0.00 ATOM 392 CB VAL 73 8.056 -1.626 -4.741 1.00 0.00 ATOM 393 CG1 VAL 73 6.543 -1.729 -4.617 1.00 0.00 ATOM 394 CG2 VAL 73 8.475 -0.219 -4.341 1.00 0.00 ATOM 395 O VAL 73 10.928 -1.875 -3.269 1.00 0.00 ATOM 396 C VAL 73 10.255 -2.576 -4.018 1.00 0.00 ATOM 397 N GLU 74 10.774 -3.292 -5.006 1.00 0.00 ATOM 398 CA GLU 74 12.202 -3.294 -5.309 1.00 0.00 ATOM 399 CB GLU 74 12.754 -4.721 -5.282 1.00 0.00 ATOM 400 CG GLU 74 14.239 -4.818 -5.595 1.00 0.00 ATOM 401 CD GLU 74 14.759 -6.240 -5.516 1.00 0.00 ATOM 402 OE1 GLU 74 13.942 -7.160 -5.302 1.00 0.00 ATOM 403 OE2 GLU 74 15.983 -6.434 -5.668 1.00 0.00 ATOM 404 O GLU 74 11.507 -2.937 -7.560 1.00 0.00 ATOM 405 C GLU 74 12.346 -2.693 -6.699 1.00 0.00 ATOM 406 N ARG 75 13.384 -1.899 -6.925 1.00 0.00 ATOM 407 CA ARG 75 13.550 -1.347 -8.255 1.00 0.00 ATOM 408 CB ARG 75 13.935 0.132 -8.178 1.00 0.00 ATOM 409 CG ARG 75 13.990 0.829 -9.527 1.00 0.00 ATOM 410 CD ARG 75 14.237 2.320 -9.368 1.00 0.00 ATOM 411 NE ARG 75 15.566 2.601 -8.827 1.00 0.00 ATOM 412 CZ ARG 75 15.990 3.812 -8.480 1.00 0.00 ATOM 413 NH1 ARG 75 17.214 3.971 -7.997 1.00 0.00 ATOM 414 NH2 ARG 75 15.190 4.860 -8.616 1.00 0.00 ATOM 415 O ARG 75 15.696 -2.434 -8.338 1.00 0.00 ATOM 416 C ARG 75 14.659 -2.141 -8.938 1.00 0.00 ATOM 417 N ARG 76 14.403 -2.517 -10.185 1.00 0.00 ATOM 418 CA ARG 76 15.328 -3.314 -10.978 1.00 0.00 ATOM 419 CB ARG 76 14.591 -4.465 -11.666 1.00 0.00 ATOM 420 CG ARG 76 13.970 -5.466 -10.705 1.00 0.00 ATOM 421 CD ARG 76 13.146 -6.507 -11.448 1.00 0.00 ATOM 422 NE ARG 76 12.566 -7.493 -10.542 1.00 0.00 ATOM 423 CZ ARG 76 11.707 -8.435 -10.915 1.00 0.00 ATOM 424 NH1 ARG 76 11.231 -9.291 -10.021 1.00 0.00 ATOM 425 NH2 ARG 76 11.327 -8.522 -12.183 1.00 0.00 ATOM 426 O ARG 76 15.345 -2.028 -13.008 1.00 0.00 ATOM 427 C ARG 76 15.993 -2.460 -12.056 1.00 0.00 ATOM 428 N SER 77 21.942 -0.845 -22.962 1.00 0.00 ATOM 429 CA SER 77 21.766 0.266 -23.894 1.00 0.00 ATOM 430 CB SER 77 23.003 0.423 -24.780 1.00 0.00 ATOM 431 OG SER 77 22.874 1.538 -25.644 1.00 0.00 ATOM 432 O SER 77 20.560 -0.979 -25.553 1.00 0.00 ATOM 433 C SER 77 20.547 -0.039 -24.759 1.00 0.00 ATOM 434 N GLY 78 19.474 0.759 -24.618 1.00 0.00 ATOM 435 CA GLY 78 19.321 1.903 -23.710 1.00 0.00 ATOM 436 O GLY 78 18.416 0.444 -22.029 1.00 0.00 ATOM 437 C GLY 78 19.030 1.484 -22.266 1.00 0.00 ATOM 438 N GLN 79 19.475 2.292 -21.284 1.00 0.00 ATOM 439 CA GLN 79 19.253 2.000 -19.862 1.00 0.00 ATOM 440 CB GLN 79 19.859 3.101 -18.990 1.00 0.00 ATOM 441 CG GLN 79 19.757 2.836 -17.496 1.00 0.00 ATOM 442 CD GLN 79 20.449 3.900 -16.667 1.00 0.00 ATOM 443 OE1 GLN 79 21.003 4.858 -17.206 1.00 0.00 ATOM 444 NE2 GLN 79 20.418 3.733 -15.350 1.00 0.00 ATOM 445 O GLN 79 16.970 2.653 -20.178 1.00 0.00 ATOM 446 C GLN 79 17.756 1.916 -19.585 1.00 0.00 ATOM 447 N ILE 80 17.367 1.026 -18.682 1.00 0.00 ATOM 448 CA ILE 80 15.956 0.826 -18.364 1.00 0.00 ATOM 449 CB ILE 80 15.323 -0.251 -19.266 1.00 0.00 ATOM 450 CG1 ILE 80 13.813 -0.325 -19.029 1.00 0.00 ATOM 451 CG2 ILE 80 15.925 -1.616 -18.968 1.00 0.00 ATOM 452 CD1 ILE 80 13.069 -1.124 -20.077 1.00 0.00 ATOM 453 O ILE 80 16.570 -0.391 -16.383 1.00 0.00 ATOM 454 C ILE 80 15.769 0.377 -16.913 1.00 0.00 ATOM 455 N THR 81 14.708 0.866 -16.280 1.00 0.00 ATOM 456 CA THR 81 14.425 0.540 -14.886 1.00 0.00 ATOM 457 CB THR 81 14.602 1.768 -13.973 1.00 0.00 ATOM 458 CG2 THR 81 14.314 1.400 -12.526 1.00 0.00 ATOM 459 OG1 THR 81 15.949 2.248 -14.071 1.00 0.00 ATOM 460 O THR 81 12.053 0.633 -15.205 1.00 0.00 ATOM 461 C THR 81 12.997 0.041 -14.688 1.00 0.00 ATOM 462 N THR 82 12.848 -1.051 -13.942 1.00 0.00 ATOM 463 CA THR 82 11.530 -1.614 -13.660 1.00 0.00 ATOM 464 CB THR 82 11.377 -3.023 -14.261 1.00 0.00 ATOM 465 CG2 THR 82 11.609 -2.989 -15.764 1.00 0.00 ATOM 466 OG1 THR 82 12.335 -3.907 -13.664 1.00 0.00 ATOM 467 O THR 82 12.248 -1.644 -11.367 1.00 0.00 ATOM 468 C THR 82 11.303 -1.720 -12.155 1.00 0.00 ATOM 469 N TYR 83 10.045 -1.909 -11.770 1.00 0.00 ATOM 470 CA TYR 83 9.670 -2.028 -10.362 1.00 0.00 ATOM 471 CB TYR 83 8.805 -0.840 -9.936 1.00 0.00 ATOM 472 CG TYR 83 9.512 0.492 -10.016 1.00 0.00 ATOM 473 CD1 TYR 83 9.475 1.249 -11.181 1.00 0.00 ATOM 474 CD2 TYR 83 10.214 0.992 -8.926 1.00 0.00 ATOM 475 CE1 TYR 83 10.119 2.469 -11.265 1.00 0.00 ATOM 476 CE2 TYR 83 10.864 2.211 -8.992 1.00 0.00 ATOM 477 CZ TYR 83 10.811 2.949 -10.173 1.00 0.00 ATOM 478 OH TYR 83 11.453 4.164 -10.253 1.00 0.00 ATOM 479 O TYR 83 8.066 -3.698 -10.961 1.00 0.00 ATOM 480 C TYR 83 8.882 -3.307 -10.129 1.00 0.00 ATOM 481 N ALA 84 9.131 -3.964 -9.000 1.00 0.00 ATOM 482 CA ALA 84 8.427 -5.195 -8.677 1.00 0.00 ATOM 483 CB ALA 84 9.324 -6.399 -8.923 1.00 0.00 ATOM 484 O ALA 84 8.629 -4.558 -6.371 1.00 0.00 ATOM 485 C ALA 84 8.003 -5.197 -7.215 1.00 0.00 ATOM 486 N LEU 85 6.935 -5.923 -6.922 1.00 0.00 ATOM 487 CA LEU 85 6.442 -6.027 -5.560 1.00 0.00 ATOM 488 CB LEU 85 5.057 -6.676 -5.539 1.00 0.00 ATOM 489 CG LEU 85 4.382 -6.790 -4.171 1.00 0.00 ATOM 490 CD1 LEU 85 4.073 -5.412 -3.607 1.00 0.00 ATOM 491 CD2 LEU 85 3.077 -7.564 -4.278 1.00 0.00 ATOM 492 O LEU 85 7.682 -8.045 -5.164 1.00 0.00 ATOM 493 C LEU 85 7.449 -6.890 -4.798 1.00 0.00 ATOM 494 N THR 86 8.059 -6.336 -3.757 1.00 0.00 ATOM 495 CA THR 86 9.027 -7.105 -2.980 1.00 0.00 ATOM 496 CB THR 86 9.776 -6.215 -1.971 1.00 0.00 ATOM 497 CG2 THR 86 10.480 -5.073 -2.687 1.00 0.00 ATOM 498 OG1 THR 86 8.845 -5.667 -1.029 1.00 0.00 ATOM 499 O THR 86 7.056 -8.183 -2.129 1.00 0.00 ATOM 500 C THR 86 8.290 -8.197 -2.218 1.00 0.00 ATOM 501 N GLU 87 9.043 -9.147 -1.676 1.00 0.00 ATOM 502 CA GLU 87 8.448 -10.233 -0.908 1.00 0.00 ATOM 503 CB GLU 87 9.534 -11.163 -0.362 1.00 0.00 ATOM 504 CG GLU 87 10.223 -12.003 -1.424 1.00 0.00 ATOM 505 CD GLU 87 11.374 -12.818 -0.868 1.00 0.00 ATOM 506 OE1 GLU 87 11.681 -12.668 0.334 1.00 0.00 ATOM 507 OE2 GLU 87 11.970 -13.605 -1.633 1.00 0.00 ATOM 508 O GLU 87 6.562 -10.104 0.589 1.00 0.00 ATOM 509 C GLU 87 7.657 -9.642 0.263 1.00 0.00 ATOM 510 N LYS 88 8.220 -8.610 0.882 1.00 0.00 ATOM 511 CA LYS 88 7.573 -7.947 2.005 1.00 0.00 ATOM 512 CB LYS 88 8.497 -6.887 2.608 1.00 0.00 ATOM 513 CG LYS 88 9.696 -7.458 3.347 1.00 0.00 ATOM 514 CD LYS 88 10.567 -6.354 3.923 1.00 0.00 ATOM 515 CE LYS 88 11.784 -6.924 4.633 1.00 0.00 ATOM 516 NZ LYS 88 12.660 -5.852 5.182 1.00 0.00 ATOM 517 O LYS 88 5.254 -7.346 2.178 1.00 0.00 ATOM 518 C LYS 88 6.288 -7.271 1.521 1.00 0.00 ATOM 519 N GLY 89 6.362 -6.627 0.359 1.00 0.00 ATOM 520 CA GLY 89 5.195 -5.968 -0.202 1.00 0.00 ATOM 521 O GLY 89 2.889 -6.621 -0.265 1.00 0.00 ATOM 522 C GLY 89 4.064 -6.960 -0.406 1.00 0.00 ATOM 523 N MET 90 4.427 -8.194 -0.740 1.00 0.00 ATOM 524 CA MET 90 3.455 -9.250 -0.957 1.00 0.00 ATOM 525 CB MET 90 4.160 -10.562 -1.309 1.00 0.00 ATOM 526 CG MET 90 4.830 -10.559 -2.674 1.00 0.00 ATOM 527 SD MET 90 5.625 -12.130 -3.061 1.00 0.00 ATOM 528 CE MET 90 6.140 -11.840 -4.751 1.00 0.00 ATOM 529 O MET 90 1.481 -9.981 0.194 1.00 0.00 ATOM 530 C MET 90 2.606 -9.491 0.292 1.00 0.00 ATOM 531 N ASN 91 3.135 -9.151 1.467 1.00 0.00 ATOM 532 CA ASN 91 2.393 -9.368 2.710 1.00 0.00 ATOM 533 CB ASN 91 3.299 -9.141 3.921 1.00 0.00 ATOM 534 CG ASN 91 4.319 -10.248 4.101 1.00 0.00 ATOM 535 ND2 ASN 91 5.351 -9.978 4.892 1.00 0.00 ATOM 536 OD1 ASN 91 4.179 -11.333 3.535 1.00 0.00 ATOM 537 O ASN 91 0.506 -8.474 3.883 1.00 0.00 ATOM 538 C ASN 91 1.194 -8.433 2.871 1.00 0.00 ATOM 539 N VAL 92 0.945 -7.592 1.875 1.00 0.00 ATOM 540 CA VAL 92 -0.191 -6.670 1.928 1.00 0.00 ATOM 541 CB VAL 92 0.183 -5.283 1.375 1.00 0.00 ATOM 542 CG1 VAL 92 1.335 -4.686 2.167 1.00 0.00 ATOM 543 CG2 VAL 92 0.604 -5.385 -0.083 1.00 0.00 ATOM 544 O VAL 92 -2.457 -6.668 1.100 1.00 0.00 ATOM 545 C VAL 92 -1.351 -7.220 1.092 1.00 0.00 ATOM 546 N ARG 93 -1.105 -8.321 0.386 1.00 0.00 ATOM 547 CA ARG 93 -2.134 -8.917 -0.462 1.00 0.00 ATOM 548 CB ARG 93 -1.627 -10.217 -1.087 1.00 0.00 ATOM 549 CG ARG 93 -0.566 -10.017 -2.158 1.00 0.00 ATOM 550 CD ARG 93 -0.055 -11.348 -2.684 1.00 0.00 ATOM 551 NE ARG 93 0.985 -11.174 -3.696 1.00 0.00 ATOM 552 CZ ARG 93 1.650 -12.174 -4.264 1.00 0.00 ATOM 553 NH1 ARG 93 2.580 -11.921 -5.173 1.00 0.00 ATOM 554 NH2 ARG 93 1.384 -13.427 -3.919 1.00 0.00 ATOM 555 O ARG 93 -4.503 -9.123 -0.251 1.00 0.00 ATOM 556 C ARG 93 -3.414 -9.259 0.294 1.00 0.00 ATOM 557 N ASN 94 -3.283 -9.689 1.545 1.00 0.00 ATOM 558 CA ASN 94 -4.459 -10.027 2.323 1.00 0.00 ATOM 559 CB ASN 94 -4.055 -10.630 3.671 1.00 0.00 ATOM 560 CG ASN 94 -3.510 -12.036 3.540 1.00 0.00 ATOM 561 ND2 ASN 94 -2.753 -12.472 4.540 1.00 0.00 ATOM 562 OD1 ASN 94 -3.766 -12.723 2.550 1.00 0.00 ATOM 563 O ASN 94 -6.558 -8.883 2.559 1.00 0.00 ATOM 564 C ASN 94 -5.329 -8.813 2.606 1.00 0.00 ATOM 565 N SER 95 -4.689 -7.698 2.924 1.00 0.00 ATOM 566 CA SER 95 -5.412 -6.466 3.200 1.00 0.00 ATOM 567 CB SER 95 -4.450 -5.373 3.666 1.00 0.00 ATOM 568 OG SER 95 -3.874 -5.701 4.918 1.00 0.00 ATOM 569 O SER 95 -7.246 -5.590 1.917 1.00 0.00 ATOM 570 C SER 95 -6.103 -6.034 1.904 1.00 0.00 ATOM 571 N LEU 96 -5.403 -6.193 0.784 1.00 0.00 ATOM 572 CA LEU 96 -5.958 -5.822 -0.510 1.00 0.00 ATOM 573 CB LEU 96 -4.928 -6.048 -1.620 1.00 0.00 ATOM 574 CG LEU 96 -3.720 -5.109 -1.625 1.00 0.00 ATOM 575 CD1 LEU 96 -2.697 -5.556 -2.658 1.00 0.00 ATOM 576 CD2 LEU 96 -4.146 -3.688 -1.963 1.00 0.00 ATOM 577 O LEU 96 -8.222 -6.169 -1.233 1.00 0.00 ATOM 578 C LEU 96 -7.198 -6.681 -0.791 1.00 0.00 ATOM 579 N MET 97 -7.113 -7.979 -0.508 1.00 0.00 ATOM 580 CA MET 97 -8.253 -8.873 -0.727 1.00 0.00 ATOM 581 CB MET 97 -7.903 -10.301 -0.301 1.00 0.00 ATOM 582 CG MET 97 -6.884 -10.983 -1.198 1.00 0.00 ATOM 583 SD MET 97 -6.402 -12.611 -0.589 1.00 0.00 ATOM 584 CE MET 97 -7.921 -13.527 -0.830 1.00 0.00 ATOM 585 O MET 97 -10.602 -8.422 -0.460 1.00 0.00 ATOM 586 C MET 97 -9.496 -8.444 0.074 1.00 0.00 ATOM 587 N PRO 98 -9.306 -8.122 1.351 1.00 0.00 ATOM 588 CA PRO 98 -10.403 -7.697 2.212 1.00 0.00 ATOM 589 CB PRO 98 -9.776 -7.630 3.606 1.00 0.00 ATOM 590 CG PRO 98 -8.369 -7.204 3.362 1.00 0.00 ATOM 591 CD PRO 98 -7.919 -7.933 2.127 1.00 0.00 ATOM 592 O PRO 98 -12.154 -6.087 1.761 1.00 0.00 ATOM 593 C PRO 98 -10.940 -6.321 1.760 1.00 0.00 ATOM 597 N TYR 102 -14.742 -5.778 0.691 1.00 0.00 ATOM 598 CA TYR 102 -15.582 -4.769 1.340 1.00 0.00 ATOM 599 CB TYR 102 -14.786 -4.018 2.412 1.00 0.00 ATOM 600 CG TYR 102 -15.574 -2.935 3.112 1.00 0.00 ATOM 601 CD1 TYR 102 -16.491 -3.252 4.107 1.00 0.00 ATOM 602 CD2 TYR 102 -15.399 -1.598 2.776 1.00 0.00 ATOM 603 CE1 TYR 102 -17.214 -2.268 4.753 1.00 0.00 ATOM 604 CE2 TYR 102 -16.114 -0.600 3.412 1.00 0.00 ATOM 605 CZ TYR 102 -17.027 -0.946 4.407 1.00 0.00 ATOM 606 OH TYR 102 -17.747 0.035 5.049 1.00 0.00 ATOM 607 O TYR 102 -17.254 -3.338 0.368 1.00 0.00 ATOM 608 C TYR 102 -16.092 -3.749 0.322 1.00 0.00 ATOM 609 N ILE 103 -15.214 -3.332 -0.585 1.00 0.00 ATOM 610 CA ILE 103 -15.610 -2.378 -1.597 1.00 0.00 ATOM 611 CB ILE 103 -14.427 -1.989 -2.501 1.00 0.00 ATOM 612 CG1 ILE 103 -13.319 -1.327 -1.679 1.00 0.00 ATOM 613 CG2 ILE 103 -14.876 -1.012 -3.577 1.00 0.00 ATOM 614 CD1 ILE 103 -12.037 -1.103 -2.448 1.00 0.00 ATOM 615 O ILE 103 -17.645 -2.222 -2.844 1.00 0.00 ATOM 616 C ILE 103 -16.701 -2.929 -2.497 1.00 0.00 ATOM 617 N SER 104 -18.987 -5.113 -1.787 1.00 0.00 ATOM 618 CA SER 104 -20.242 -5.127 -1.042 1.00 0.00 ATOM 619 CB SER 104 -20.028 -5.706 0.358 1.00 0.00 ATOM 620 OG SER 104 -19.191 -4.867 1.135 1.00 0.00 ATOM 621 O SER 104 -22.006 -3.524 -0.864 1.00 0.00 ATOM 622 C SER 104 -20.794 -3.719 -0.898 1.00 0.00 ATOM 623 N VAL 105 -19.897 -2.739 -0.832 1.00 0.00 ATOM 624 CA VAL 105 -20.283 -1.342 -0.684 1.00 0.00 ATOM 625 CB VAL 105 -19.073 -0.455 -0.337 1.00 0.00 ATOM 626 CG1 VAL 105 -19.463 1.015 -0.374 1.00 0.00 ATOM 627 CG2 VAL 105 -18.555 -0.781 1.055 1.00 0.00 ATOM 628 O VAL 105 -21.994 -0.152 -1.869 1.00 0.00 ATOM 629 C VAL 105 -20.908 -0.717 -1.932 1.00 0.00 ATOM 630 N LEU 106 -20.206 -0.812 -3.055 1.00 0.00 ATOM 631 CA LEU 106 -20.676 -0.233 -4.312 1.00 0.00 ATOM 632 CB LEU 106 -19.622 -0.405 -5.408 1.00 0.00 ATOM 633 CG LEU 106 -18.345 0.422 -5.255 1.00 0.00 ATOM 634 CD1 LEU 106 -17.317 0.024 -6.302 1.00 0.00 ATOM 635 CD2 LEU 106 -18.641 1.906 -5.420 1.00 0.00 ATOM 636 O LEU 106 -22.875 -0.182 -5.283 1.00 0.00 ATOM 637 C LEU 106 -21.959 -0.873 -4.823 1.00 0.00 ATOM 638 N ASP 107 -22.024 -2.194 -4.745 1.00 0.00 ATOM 639 CA ASP 107 -23.213 -2.905 -5.174 1.00 0.00 ATOM 640 CB ASP 107 -22.909 -4.392 -5.364 1.00 0.00 ATOM 641 CG ASP 107 -24.027 -5.130 -6.075 1.00 0.00 ATOM 642 OD1 ASP 107 -24.938 -4.460 -6.603 1.00 0.00 ATOM 643 OD2 ASP 107 -23.990 -6.378 -6.104 1.00 0.00 ATOM 644 O ASP 107 -25.090 -3.576 -3.835 1.00 0.00 ATOM 645 C ASP 107 -24.258 -2.709 -4.075 1.00 0.00 TER END