PFRMAT TS TARGET T0399 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 T0399 model 5 Wed May 14 10:35:12 2008 MODEL 5 PARENT N/A ATOM 2 N PRO 37 -27.686 17.824 30.038 1.00 0.00 ATOM 3 CA PRO 37 -28.091 17.238 28.767 1.00 0.00 ATOM 4 CB PRO 37 -29.492 17.805 28.527 1.00 0.00 ATOM 5 CG PRO 37 -29.458 19.159 29.155 1.00 0.00 ATOM 6 CD PRO 37 -28.680 19.007 30.430 1.00 0.00 ATOM 7 O PRO 37 -27.622 17.848 26.461 1.00 0.00 ATOM 8 C PRO 37 -27.174 17.586 27.581 1.00 0.00 ATOM 9 N SER 38 -25.877 17.572 27.871 1.00 0.00 ATOM 10 CA SER 38 -24.830 17.776 26.879 1.00 0.00 ATOM 11 CB SER 38 -23.613 18.453 27.514 1.00 0.00 ATOM 12 OG SER 38 -23.033 17.628 28.508 1.00 0.00 ATOM 13 O SER 38 -23.521 16.389 25.392 1.00 0.00 ATOM 14 C SER 38 -24.381 16.436 26.286 1.00 0.00 ATOM 15 N ASN 39 -25.099 15.355 26.702 1.00 0.00 ATOM 16 CA ASN 39 -24.739 14.046 26.167 1.00 0.00 ATOM 17 CB ASN 39 -25.269 12.931 27.073 1.00 0.00 ATOM 18 CG ASN 39 -24.518 12.843 28.387 1.00 0.00 ATOM 19 ND2 ASN 39 -25.157 12.262 29.395 1.00 0.00 ATOM 20 OD1 ASN 39 -23.376 13.292 28.492 1.00 0.00 ATOM 21 O ASN 39 -25.106 13.105 23.963 1.00 0.00 ATOM 22 C ASN 39 -25.397 13.993 24.772 1.00 0.00 ATOM 23 N GLU 40 -26.175 15.072 24.471 1.00 0.00 ATOM 24 CA GLU 40 -26.759 15.162 23.141 1.00 0.00 ATOM 25 CB GLU 40 -27.836 16.249 23.102 1.00 0.00 ATOM 26 CG GLU 40 -29.094 15.906 23.883 1.00 0.00 ATOM 27 CD GLU 40 -30.086 17.052 23.924 1.00 0.00 ATOM 28 OE1 GLU 40 -29.759 18.139 23.404 1.00 0.00 ATOM 29 OE2 GLU 40 -31.189 16.862 24.477 1.00 0.00 ATOM 30 O GLU 40 -25.434 14.949 21.153 1.00 0.00 ATOM 31 C GLU 40 -25.574 15.507 22.243 1.00 0.00 ATOM 32 N ALA 41 -24.710 16.399 22.737 1.00 0.00 ATOM 33 CA ALA 41 -23.453 16.793 22.083 1.00 0.00 ATOM 34 CB ALA 41 -22.693 17.787 22.948 1.00 0.00 ATOM 35 O ALA 41 -21.861 15.517 20.800 1.00 0.00 ATOM 36 C ALA 41 -22.526 15.593 21.834 1.00 0.00 ATOM 37 N ALA 42 -22.502 14.658 22.780 1.00 0.00 ATOM 38 CA ALA 42 -21.670 13.456 22.673 1.00 0.00 ATOM 39 CB ALA 42 -21.649 12.705 23.995 1.00 0.00 ATOM 40 O ALA 42 -21.368 11.893 20.901 1.00 0.00 ATOM 41 C ALA 42 -22.170 12.488 21.609 1.00 0.00 ATOM 42 N LEU 43 -23.482 12.310 21.489 1.00 0.00 ATOM 43 CA LEU 43 -23.968 11.366 20.486 1.00 0.00 ATOM 44 CB LEU 43 -25.387 10.907 20.827 1.00 0.00 ATOM 45 CG LEU 43 -25.545 10.092 22.112 1.00 0.00 ATOM 46 CD1 LEU 43 -27.012 9.791 22.381 1.00 0.00 ATOM 47 CD2 LEU 43 -24.801 8.770 22.006 1.00 0.00 ATOM 48 O LEU 43 -23.843 11.304 18.093 1.00 0.00 ATOM 49 C LEU 43 -23.999 11.995 19.101 1.00 0.00 ATOM 50 N THR 44 -24.170 13.313 19.070 1.00 0.00 ATOM 51 CA THR 44 -24.089 14.098 17.842 1.00 0.00 ATOM 52 CB THR 44 -24.594 15.537 18.058 1.00 0.00 ATOM 53 CG2 THR 44 -26.046 15.529 18.511 1.00 0.00 ATOM 54 OG1 THR 44 -23.799 16.179 19.064 1.00 0.00 ATOM 55 O THR 44 -22.472 14.696 16.164 1.00 0.00 ATOM 56 C THR 44 -22.667 14.221 17.286 1.00 0.00 ATOM 57 N LYS 45 -21.693 13.780 18.084 1.00 0.00 ATOM 58 CA LYS 45 -20.276 13.885 17.761 1.00 0.00 ATOM 59 CB LYS 45 -19.422 13.544 18.985 1.00 0.00 ATOM 60 CG LYS 45 -17.926 13.709 18.762 1.00 0.00 ATOM 61 CD LYS 45 -17.146 13.442 20.039 1.00 0.00 ATOM 62 CE LYS 45 -15.653 13.625 19.821 1.00 0.00 ATOM 63 NZ LYS 45 -14.875 13.367 21.065 1.00 0.00 ATOM 64 O LYS 45 -20.164 11.758 16.648 1.00 0.00 ATOM 65 C LYS 45 -19.841 12.945 16.636 1.00 0.00 ATOM 66 N THR 46 -19.096 13.470 15.668 1.00 0.00 ATOM 67 CA THR 46 -18.550 12.623 14.605 1.00 0.00 ATOM 68 CB THR 46 -18.432 13.391 13.275 1.00 0.00 ATOM 69 CG2 THR 46 -19.812 13.695 12.711 1.00 0.00 ATOM 70 OG1 THR 46 -17.738 14.626 13.495 1.00 0.00 ATOM 71 O THR 46 -16.314 12.917 15.445 1.00 0.00 ATOM 72 C THR 46 -17.154 12.130 15.003 1.00 0.00 ATOM 76 N ASP 50 -9.161 8.135 11.831 1.00 0.00 ATOM 77 CA ASP 50 -7.822 7.962 11.297 1.00 0.00 ATOM 78 CB ASP 50 -7.227 9.313 10.898 1.00 0.00 ATOM 79 CG ASP 50 -7.854 9.876 9.637 1.00 0.00 ATOM 80 OD1 ASP 50 -8.613 9.141 8.973 1.00 0.00 ATOM 81 OD2 ASP 50 -7.586 11.052 9.315 1.00 0.00 ATOM 82 O ASP 50 -6.871 7.614 13.477 1.00 0.00 ATOM 83 C ASP 50 -6.847 7.329 12.280 1.00 0.00 ATOM 84 N PHE 51 -5.938 6.526 11.715 1.00 0.00 ATOM 85 CA PHE 51 -4.917 5.836 12.473 1.00 0.00 ATOM 86 CB PHE 51 -5.374 4.417 12.821 1.00 0.00 ATOM 87 CG PHE 51 -6.622 4.372 13.657 1.00 0.00 ATOM 88 CD1 PHE 51 -7.865 4.233 13.065 1.00 0.00 ATOM 89 CD2 PHE 51 -6.552 4.466 15.037 1.00 0.00 ATOM 90 CE1 PHE 51 -9.012 4.191 13.834 1.00 0.00 ATOM 91 CE2 PHE 51 -7.700 4.422 15.805 1.00 0.00 ATOM 92 CZ PHE 51 -8.926 4.286 15.210 1.00 0.00 ATOM 93 O PHE 51 -3.901 6.022 10.331 1.00 0.00 ATOM 94 C PHE 51 -3.725 5.834 11.537 1.00 0.00 ATOM 95 N ARG 52 -2.522 5.637 12.084 1.00 0.00 ATOM 96 CA ARG 52 -1.296 5.520 11.280 1.00 0.00 ATOM 97 CB ARG 52 -0.125 5.057 12.151 1.00 0.00 ATOM 98 CG ARG 52 0.372 6.107 13.130 1.00 0.00 ATOM 99 CD ARG 52 1.493 5.563 14.001 1.00 0.00 ATOM 100 NE ARG 52 1.952 6.546 14.980 1.00 0.00 ATOM 101 CZ ARG 52 2.837 6.289 15.938 1.00 0.00 ATOM 102 NH1 ARG 52 3.194 7.246 16.784 1.00 0.00 ATOM 103 NH2 ARG 52 3.360 5.076 16.048 1.00 0.00 ATOM 104 O ARG 52 -1.038 4.816 9.014 1.00 0.00 ATOM 105 C ARG 52 -1.429 4.516 10.132 1.00 0.00 ATOM 106 N PHE 55 -1.984 3.334 10.397 1.00 0.00 ATOM 107 CA PHE 55 -2.243 2.353 9.334 1.00 0.00 ATOM 108 CB PHE 55 -3.060 1.177 9.875 1.00 0.00 ATOM 109 CG PHE 55 -3.408 0.150 8.837 1.00 0.00 ATOM 110 CD1 PHE 55 -2.486 -0.809 8.455 1.00 0.00 ATOM 111 CD2 PHE 55 -4.656 0.144 8.242 1.00 0.00 ATOM 112 CE1 PHE 55 -2.805 -1.754 7.499 1.00 0.00 ATOM 113 CE2 PHE 55 -4.977 -0.802 7.285 1.00 0.00 ATOM 114 CZ PHE 55 -4.058 -1.748 6.913 1.00 0.00 ATOM 115 O PHE 55 -2.665 2.743 7.009 1.00 0.00 ATOM 116 C PHE 55 -3.026 2.947 8.160 1.00 0.00 ATOM 117 N ASN 56 -4.093 3.680 8.454 1.00 0.00 ATOM 118 CA ASN 56 -4.892 4.329 7.417 1.00 0.00 ATOM 119 CB ASN 56 -5.983 5.197 8.047 1.00 0.00 ATOM 120 CG ASN 56 -7.104 4.377 8.654 1.00 0.00 ATOM 121 ND2 ASN 56 -7.863 4.990 9.555 1.00 0.00 ATOM 122 OD1 ASN 56 -7.284 3.208 8.314 1.00 0.00 ATOM 123 O ASN 56 -4.185 5.268 5.327 1.00 0.00 ATOM 124 C ASN 56 -4.017 5.213 6.546 1.00 0.00 ATOM 125 N LYS 57 -3.069 5.882 7.195 1.00 0.00 ATOM 126 CA LYS 57 -2.200 6.855 6.558 1.00 0.00 ATOM 127 CB LYS 57 -1.419 7.646 7.609 1.00 0.00 ATOM 128 CG LYS 57 -2.271 8.605 8.423 1.00 0.00 ATOM 129 CD LYS 57 -1.432 9.360 9.442 1.00 0.00 ATOM 130 CE LYS 57 -2.289 10.295 10.279 1.00 0.00 ATOM 131 NZ LYS 57 -1.484 11.024 11.299 1.00 0.00 ATOM 132 O LYS 57 -0.892 6.660 4.564 1.00 0.00 ATOM 133 C LYS 57 -1.204 6.164 5.640 1.00 0.00 ATOM 134 N ILE 58 -0.719 5.009 6.082 1.00 0.00 ATOM 135 CA ILE 58 0.161 4.181 5.288 1.00 0.00 ATOM 136 CB ILE 58 0.789 3.055 6.129 1.00 0.00 ATOM 137 CG1 ILE 58 1.751 3.638 7.167 1.00 0.00 ATOM 138 CG2 ILE 58 1.563 2.094 5.241 1.00 0.00 ATOM 139 CD1 ILE 58 2.210 2.636 8.203 1.00 0.00 ATOM 140 O ILE 58 -0.194 3.534 3.005 1.00 0.00 ATOM 141 C ILE 58 -0.630 3.554 4.151 1.00 0.00 ATOM 142 N ILE 73 -1.806 3.047 4.494 1.00 0.00 ATOM 143 CA ILE 73 -2.677 2.355 3.560 1.00 0.00 ATOM 144 CB ILE 73 -4.031 2.006 4.204 1.00 0.00 ATOM 145 CG1 ILE 73 -4.851 1.114 3.269 1.00 0.00 ATOM 146 CG2 ILE 73 -4.829 3.270 4.487 1.00 0.00 ATOM 147 CD1 ILE 73 -4.223 -0.237 3.006 1.00 0.00 ATOM 148 O ILE 73 -2.927 2.783 1.225 1.00 0.00 ATOM 149 C ILE 73 -2.925 3.246 2.365 1.00 0.00 ATOM 150 N GLU 74 -3.111 4.530 2.664 1.00 0.00 ATOM 151 CA GLU 74 -3.372 5.588 1.696 1.00 0.00 ATOM 152 CB GLU 74 -3.673 6.907 2.411 1.00 0.00 ATOM 153 CG GLU 74 -5.007 6.928 3.140 1.00 0.00 ATOM 154 CD GLU 74 -5.216 8.200 3.937 1.00 0.00 ATOM 155 OE1 GLU 74 -4.287 9.034 3.978 1.00 0.00 ATOM 156 OE2 GLU 74 -6.307 8.364 4.520 1.00 0.00 ATOM 157 O GLU 74 -2.336 6.074 -0.395 1.00 0.00 ATOM 158 C GLU 74 -2.179 5.804 0.790 1.00 0.00 ATOM 159 N GLN 75 -0.984 5.710 1.375 1.00 0.00 ATOM 160 CA GLN 75 0.263 5.812 0.636 1.00 0.00 ATOM 161 CB GLN 75 1.453 5.880 1.595 1.00 0.00 ATOM 162 CG GLN 75 1.538 7.177 2.384 1.00 0.00 ATOM 163 CD GLN 75 2.638 7.152 3.427 1.00 0.00 ATOM 164 OE1 GLN 75 3.279 6.123 3.643 1.00 0.00 ATOM 165 NE2 GLN 75 2.860 8.287 4.079 1.00 0.00 ATOM 166 O GLN 75 0.728 4.717 -1.435 1.00 0.00 ATOM 167 C GLN 75 0.406 4.590 -0.254 1.00 0.00 ATOM 168 N LEU 76 0.152 3.407 0.308 1.00 0.00 ATOM 169 CA LEU 76 0.236 2.180 -0.464 1.00 0.00 ATOM 170 CB LEU 76 -0.251 0.991 0.366 1.00 0.00 ATOM 171 CG LEU 76 0.659 0.545 1.512 1.00 0.00 ATOM 172 CD1 LEU 76 -0.026 -0.512 2.364 1.00 0.00 ATOM 173 CD2 LEU 76 1.954 -0.045 0.972 1.00 0.00 ATOM 174 O LEU 76 -0.185 2.233 -2.806 1.00 0.00 ATOM 175 C LEU 76 -0.651 2.368 -1.688 1.00 0.00 ATOM 176 N LYS 77 -1.915 2.719 -1.471 1.00 0.00 ATOM 177 CA LYS 77 -2.830 3.018 -2.582 1.00 0.00 ATOM 178 CB LYS 77 -3.915 3.999 -2.133 1.00 0.00 ATOM 179 CG LYS 77 -4.932 4.336 -3.212 1.00 0.00 ATOM 180 CD LYS 77 -6.003 5.276 -2.685 1.00 0.00 ATOM 181 CE LYS 77 -6.978 5.672 -3.782 1.00 0.00 ATOM 182 NZ LYS 77 -8.034 6.596 -3.281 1.00 0.00 ATOM 183 O LYS 77 -2.233 3.195 -4.892 1.00 0.00 ATOM 184 C LYS 77 -2.088 3.639 -3.752 1.00 0.00 ATOM 185 N GLN 78 -1.304 4.675 -3.449 1.00 0.00 ATOM 186 CA GLN 78 -0.548 5.432 -4.447 1.00 0.00 ATOM 187 CB GLN 78 0.089 6.668 -3.810 1.00 0.00 ATOM 188 CG GLN 78 -0.907 7.742 -3.404 1.00 0.00 ATOM 189 CD GLN 78 -0.259 8.883 -2.646 1.00 0.00 ATOM 190 OE1 GLN 78 0.928 8.831 -2.325 1.00 0.00 ATOM 191 NE2 GLN 78 -1.038 9.920 -2.359 1.00 0.00 ATOM 192 O GLN 78 0.631 4.362 -6.242 1.00 0.00 ATOM 193 C GLN 78 0.549 4.560 -5.030 1.00 0.00 ATOM 194 N TRP 79 1.355 4.016 -4.127 1.00 0.00 ATOM 195 CA TRP 79 2.539 3.242 -4.442 1.00 0.00 ATOM 196 CB TRP 79 3.274 2.843 -3.160 1.00 0.00 ATOM 197 CG TRP 79 3.984 3.983 -2.497 1.00 0.00 ATOM 198 CD1 TRP 79 4.261 5.204 -3.040 1.00 0.00 ATOM 199 CD2 TRP 79 4.508 4.009 -1.162 1.00 0.00 ATOM 200 CE2 TRP 79 5.088 5.278 -0.967 1.00 0.00 ATOM 201 CE3 TRP 79 4.541 3.084 -0.115 1.00 0.00 ATOM 202 NE1 TRP 79 4.925 5.989 -2.129 1.00 0.00 ATOM 203 CZ2 TRP 79 5.696 5.643 0.233 1.00 0.00 ATOM 204 CZ3 TRP 79 5.145 3.451 1.073 1.00 0.00 ATOM 205 CH2 TRP 79 5.714 4.719 1.240 1.00 0.00 ATOM 206 O TRP 79 3.196 1.326 -5.736 1.00 0.00 ATOM 207 C TRP 79 2.270 1.940 -5.203 1.00 0.00 ATOM 208 N PHE 80 1.008 1.525 -5.247 1.00 0.00 ATOM 209 CA PHE 80 0.622 0.284 -5.906 1.00 0.00 ATOM 210 CB PHE 80 -0.555 -0.366 -5.176 1.00 0.00 ATOM 211 CG PHE 80 -0.237 -0.792 -3.771 1.00 0.00 ATOM 212 CD1 PHE 80 1.070 -1.029 -3.384 1.00 0.00 ATOM 213 CD2 PHE 80 -1.244 -0.955 -2.837 1.00 0.00 ATOM 214 CE1 PHE 80 1.363 -1.422 -2.091 1.00 0.00 ATOM 215 CE2 PHE 80 -0.952 -1.346 -1.544 1.00 0.00 ATOM 216 CZ PHE 80 0.346 -1.579 -1.170 1.00 0.00 ATOM 217 O PHE 80 0.002 -0.445 -8.087 1.00 0.00 ATOM 218 C PHE 80 0.201 0.509 -7.340 1.00 0.00 ATOM 219 N GLY 81 0.076 1.764 -7.745 1.00 0.00 ATOM 220 CA GLY 81 -0.354 2.046 -9.107 1.00 0.00 ATOM 221 O GLY 81 1.796 1.335 -9.936 1.00 0.00 ATOM 222 C GLY 81 0.587 1.446 -10.154 1.00 0.00 ATOM 223 N ASP 82 0.001 1.052 -11.282 1.00 0.00 ATOM 224 CA ASP 82 0.708 0.406 -12.380 1.00 0.00 ATOM 225 CB ASP 82 -0.182 0.336 -13.623 1.00 0.00 ATOM 226 CG ASP 82 -1.302 -0.675 -13.481 1.00 0.00 ATOM 227 OD1 ASP 82 -1.270 -1.468 -12.515 1.00 0.00 ATOM 228 OD2 ASP 82 -2.215 -0.676 -14.335 1.00 0.00 ATOM 229 O ASP 82 2.957 0.525 -13.241 1.00 0.00 ATOM 230 C ASP 82 1.992 1.145 -12.785 1.00 0.00 ATOM 231 N PRO 83 2.007 2.465 -12.601 1.00 0.00 ATOM 232 CA PRO 83 3.134 3.283 -13.044 1.00 0.00 ATOM 233 CB PRO 83 2.573 4.706 -13.067 1.00 0.00 ATOM 234 CG PRO 83 1.465 4.687 -12.067 1.00 0.00 ATOM 235 CD PRO 83 0.866 3.311 -12.134 1.00 0.00 ATOM 236 O PRO 83 5.466 3.249 -12.527 1.00 0.00 ATOM 237 C PRO 83 4.316 3.173 -12.089 1.00 0.00 ATOM 238 N ASN 84 4.049 2.974 -10.803 1.00 0.00 ATOM 239 CA ASN 84 5.149 2.799 -9.858 1.00 0.00 ATOM 240 CB ASN 84 4.631 2.829 -8.420 1.00 0.00 ATOM 241 CG ASN 84 4.098 4.192 -8.020 1.00 0.00 ATOM 242 ND2 ASN 84 2.840 4.231 -7.593 1.00 0.00 ATOM 243 OD1 ASN 84 4.809 5.193 -8.094 1.00 0.00 ATOM 244 O ASN 84 5.183 0.409 -10.032 1.00 0.00 ATOM 245 C ASN 84 5.823 1.450 -10.123 1.00 0.00 ATOM 246 N LYS 85 7.105 1.449 -10.463 1.00 0.00 ATOM 247 CA LYS 85 7.803 0.173 -10.667 1.00 0.00 ATOM 248 CB LYS 85 8.962 0.348 -11.650 1.00 0.00 ATOM 249 CG LYS 85 8.531 0.713 -13.061 1.00 0.00 ATOM 250 CD LYS 85 9.726 0.824 -13.993 1.00 0.00 ATOM 251 CE LYS 85 9.295 1.214 -15.398 1.00 0.00 ATOM 252 NZ LYS 85 10.459 1.358 -16.315 1.00 0.00 ATOM 253 O LYS 85 8.436 -1.577 -9.170 1.00 0.00 ATOM 254 C LYS 85 8.372 -0.364 -9.364 1.00 0.00 ATOM 255 N SER 86 8.721 0.554 -8.452 1.00 0.00 ATOM 256 CA SER 86 9.217 0.163 -7.130 1.00 0.00 ATOM 257 CB SER 86 10.586 -0.508 -7.249 1.00 0.00 ATOM 258 OG SER 86 11.112 -0.823 -5.972 1.00 0.00 ATOM 259 O SER 86 9.796 2.427 -6.548 1.00 0.00 ATOM 260 C SER 86 9.388 1.325 -6.161 1.00 0.00 ATOM 261 N GLU 87 9.094 1.062 -4.897 1.00 0.00 ATOM 262 CA GLU 87 9.258 2.052 -3.864 1.00 0.00 ATOM 263 CB GLU 87 7.904 2.642 -3.467 1.00 0.00 ATOM 264 CG GLU 87 7.189 3.368 -4.596 1.00 0.00 ATOM 265 CD GLU 87 7.870 4.667 -4.978 1.00 0.00 ATOM 266 OE1 GLU 87 8.719 5.145 -4.198 1.00 0.00 ATOM 267 OE2 GLU 87 7.555 5.206 -6.060 1.00 0.00 ATOM 268 O GLU 87 9.807 0.134 -2.564 1.00 0.00 ATOM 269 C GLU 87 9.891 1.354 -2.682 1.00 0.00 ATOM 270 N GLN 88 10.418 2.168 -1.749 1.00 0.00 ATOM 271 CA GLN 88 10.977 1.635 -0.511 1.00 0.00 ATOM 272 CB GLN 88 12.460 1.309 -0.690 1.00 0.00 ATOM 273 CG GLN 88 13.106 0.666 0.526 1.00 0.00 ATOM 274 CD GLN 88 14.550 0.275 0.280 1.00 0.00 ATOM 275 OE1 GLN 88 15.077 0.463 -0.816 1.00 0.00 ATOM 276 NE2 GLN 88 15.195 -0.273 1.304 1.00 0.00 ATOM 277 O GLN 88 11.238 3.847 0.334 1.00 0.00 ATOM 278 C GLN 88 10.791 2.715 0.539 1.00 0.00 ATOM 279 N ARG 89 10.211 2.332 1.693 1.00 0.00 ATOM 280 CA ARG 89 10.025 3.295 2.783 1.00 0.00 ATOM 281 CB ARG 89 8.534 3.520 3.050 1.00 0.00 ATOM 282 CG ARG 89 8.247 4.532 4.147 1.00 0.00 ATOM 283 CD ARG 89 6.752 4.741 4.327 1.00 0.00 ATOM 284 NE ARG 89 6.457 5.695 5.394 1.00 0.00 ATOM 285 CZ ARG 89 5.237 6.129 5.691 1.00 0.00 ATOM 286 NH1 ARG 89 5.064 6.997 6.680 1.00 0.00 ATOM 287 NH2 ARG 89 4.191 5.695 5.001 1.00 0.00 ATOM 288 O ARG 89 10.320 1.670 4.521 1.00 0.00 ATOM 289 C ARG 89 10.678 2.758 4.049 1.00 0.00 ATOM 290 N ASN 90 11.627 3.518 4.596 1.00 0.00 ATOM 291 CA ASN 90 12.301 3.137 5.845 1.00 0.00 ATOM 292 CB ASN 90 13.819 3.267 5.697 1.00 0.00 ATOM 293 CG ASN 90 14.393 2.276 4.705 1.00 0.00 ATOM 294 ND2 ASN 90 15.505 2.647 4.077 1.00 0.00 ATOM 295 OD1 ASN 90 13.847 1.191 4.507 1.00 0.00 ATOM 296 O ASN 90 11.820 5.235 6.898 1.00 0.00 ATOM 297 C ASN 90 11.878 4.012 7.016 1.00 0.00 ATOM 298 N ALA 91 11.600 3.387 8.157 1.00 0.00 ATOM 299 CA ALA 91 11.133 4.119 9.339 1.00 0.00 ATOM 300 CB ALA 91 9.882 3.466 9.907 1.00 0.00 ATOM 301 O ALA 91 12.487 3.165 11.066 1.00 0.00 ATOM 302 C ALA 91 12.131 4.193 10.487 1.00 0.00 ATOM 303 N GLY 92 12.547 5.422 10.827 1.00 0.00 ATOM 304 CA GLY 92 13.492 5.665 11.929 1.00 0.00 ATOM 305 O GLY 92 13.190 4.014 13.670 1.00 0.00 ATOM 306 C GLY 92 12.758 5.031 13.116 1.00 0.00 ATOM 307 N ARG 129 11.564 5.604 13.387 1.00 0.00 ATOM 308 CA ARG 129 10.723 5.133 14.475 1.00 0.00 ATOM 309 CB ARG 129 10.032 6.310 15.167 1.00 0.00 ATOM 310 CG ARG 129 9.206 5.919 16.381 1.00 0.00 ATOM 311 CD ARG 129 8.579 7.137 17.037 1.00 0.00 ATOM 312 NE ARG 129 7.817 6.783 18.233 1.00 0.00 ATOM 313 CZ ARG 129 7.028 7.625 18.893 1.00 0.00 ATOM 314 NH1 ARG 129 6.373 7.215 19.970 1.00 0.00 ATOM 315 NH2 ARG 129 6.896 8.876 18.473 1.00 0.00 ATOM 316 O ARG 129 9.297 4.653 12.617 1.00 0.00 ATOM 317 C ARG 129 9.781 4.239 13.679 1.00 0.00 ATOM 318 N GLU 130 9.516 3.012 14.178 1.00 0.00 ATOM 319 CA GLU 130 8.670 2.083 13.432 1.00 0.00 ATOM 320 CB GLU 130 8.791 0.669 14.006 1.00 0.00 ATOM 321 CG GLU 130 10.175 0.057 13.863 1.00 0.00 ATOM 322 CD GLU 130 10.229 -1.378 14.349 1.00 0.00 ATOM 323 OE1 GLU 130 9.961 -1.612 15.545 1.00 0.00 ATOM 324 OE2 GLU 130 10.542 -2.270 13.531 1.00 0.00 ATOM 325 O GLU 130 6.756 3.087 14.458 1.00 0.00 ATOM 326 C GLU 130 7.197 2.480 13.485 1.00 0.00 ATOM 327 N ALA 131 6.456 2.156 12.431 1.00 0.00 ATOM 328 CA ALA 131 5.059 2.515 12.343 1.00 0.00 ATOM 329 CB ALA 131 4.623 2.597 10.888 1.00 0.00 ATOM 330 O ALA 131 4.043 0.379 12.513 1.00 0.00 ATOM 331 C ALA 131 4.233 1.469 13.047 1.00 0.00 ATOM 332 N LYS 132 3.758 1.811 14.247 1.00 0.00 ATOM 333 CA LYS 132 2.954 0.924 15.112 1.00 0.00 ATOM 334 CB LYS 132 2.656 1.606 16.450 1.00 0.00 ATOM 335 CG LYS 132 1.899 0.731 17.436 1.00 0.00 ATOM 336 CD LYS 132 1.695 1.446 18.762 1.00 0.00 ATOM 337 CE LYS 132 0.960 0.563 19.758 1.00 0.00 ATOM 338 NZ LYS 132 0.731 1.259 21.054 1.00 0.00 ATOM 339 O LYS 132 1.107 1.400 13.660 1.00 0.00 ATOM 340 C LYS 132 1.633 0.595 14.419 1.00 0.00 ATOM 341 N ILE 133 1.188 -0.668 14.610 1.00 0.00 ATOM 342 CA ILE 133 -0.019 -1.088 13.926 1.00 0.00 ATOM 343 CB ILE 133 0.252 -1.391 12.440 1.00 0.00 ATOM 344 CG1 ILE 133 -1.065 -1.594 11.689 1.00 0.00 ATOM 345 CG2 ILE 133 1.088 -2.653 12.297 1.00 0.00 ATOM 346 CD1 ILE 133 -0.921 -1.559 10.183 1.00 0.00 ATOM 347 O ILE 133 0.184 -3.126 15.147 1.00 0.00 ATOM 348 C ILE 133 -0.561 -2.347 14.580 1.00 0.00 ATOM 349 N GLY 134 -1.868 -2.537 14.534 1.00 0.00 ATOM 350 CA GLY 134 -2.442 -3.709 15.185 1.00 0.00 ATOM 351 O GLY 134 -2.267 -4.600 12.985 1.00 0.00 ATOM 352 C GLY 134 -2.447 -4.844 14.179 1.00 0.00 ATOM 353 N LYS 135 -2.624 -6.077 14.657 1.00 0.00 ATOM 354 CA LYS 135 -2.610 -7.252 13.782 1.00 0.00 ATOM 355 CB LYS 135 -2.931 -8.517 14.581 1.00 0.00 ATOM 356 CG LYS 135 -2.897 -9.795 13.757 1.00 0.00 ATOM 357 CD LYS 135 -3.155 -11.017 14.623 1.00 0.00 ATOM 358 CE LYS 135 -3.170 -12.290 13.792 1.00 0.00 ATOM 359 NZ LYS 135 -3.445 -13.494 14.625 1.00 0.00 ATOM 360 O LYS 135 -3.343 -7.373 11.491 1.00 0.00 ATOM 361 C LYS 135 -3.647 -7.120 12.663 1.00 0.00 ATOM 362 N GLU 136 -4.856 -6.691 13.022 1.00 0.00 ATOM 363 CA GLU 136 -5.915 -6.563 12.031 1.00 0.00 ATOM 364 CB GLU 136 -7.277 -6.429 12.715 1.00 0.00 ATOM 365 CG GLU 136 -7.720 -7.674 13.466 1.00 0.00 ATOM 366 CD GLU 136 -9.039 -7.480 14.189 1.00 0.00 ATOM 367 OE1 GLU 136 -9.599 -6.367 14.113 1.00 0.00 ATOM 368 OE2 GLU 136 -9.512 -8.442 14.830 1.00 0.00 ATOM 369 O GLU 136 -6.048 -5.375 9.960 1.00 0.00 ATOM 370 C GLU 136 -5.713 -5.335 11.143 1.00 0.00 ATOM 371 N ASP 137 -5.040 -4.301 11.706 1.00 0.00 ATOM 372 CA ASP 137 -4.764 -3.130 10.874 1.00 0.00 ATOM 373 CB ASP 137 -4.119 -2.020 11.707 1.00 0.00 ATOM 374 CG ASP 137 -5.104 -1.350 12.646 1.00 0.00 ATOM 375 OD1 ASP 137 -6.323 -1.567 12.481 1.00 0.00 ATOM 376 OD2 ASP 137 -4.657 -0.608 13.544 1.00 0.00 ATOM 377 O ASP 137 -3.940 -3.246 8.599 1.00 0.00 ATOM 378 C ASP 137 -3.800 -3.620 9.772 1.00 0.00 ATOM 379 N TYR 138 -2.846 -4.469 10.165 1.00 0.00 ATOM 380 CA TYR 138 -1.848 -5.049 9.268 1.00 0.00 ATOM 381 CB TYR 138 -0.832 -5.873 10.061 1.00 0.00 ATOM 382 CG TYR 138 0.240 -6.510 9.204 1.00 0.00 ATOM 383 CD1 TYR 138 1.302 -5.757 8.719 1.00 0.00 ATOM 384 CD2 TYR 138 0.185 -7.860 8.885 1.00 0.00 ATOM 385 CE1 TYR 138 2.286 -6.332 7.936 1.00 0.00 ATOM 386 CE2 TYR 138 1.161 -8.450 8.103 1.00 0.00 ATOM 387 CZ TYR 138 2.216 -7.673 7.629 1.00 0.00 ATOM 388 OH TYR 138 3.194 -8.247 6.849 1.00 0.00 ATOM 389 O TYR 138 -1.982 -6.024 7.088 1.00 0.00 ATOM 390 C TYR 138 -2.456 -5.972 8.220 1.00 0.00 ATOM 391 N ASP 139 -3.493 -6.712 8.605 1.00 0.00 ATOM 392 CA ASP 139 -4.165 -7.624 7.680 1.00 0.00 ATOM 393 CB ASP 139 -5.109 -8.558 8.440 1.00 0.00 ATOM 394 CG ASP 139 -4.369 -9.620 9.229 1.00 0.00 ATOM 395 OD1 ASP 139 -3.152 -9.788 9.001 1.00 0.00 ATOM 396 OD2 ASP 139 -5.004 -10.281 10.076 1.00 0.00 ATOM 397 O ASP 139 -5.186 -7.282 5.531 1.00 0.00 ATOM 398 C ASP 139 -4.975 -6.829 6.662 1.00 0.00 ATOM 399 N GLU 140 -5.424 -5.644 7.076 1.00 0.00 ATOM 400 CA GLU 140 -6.182 -4.738 6.218 1.00 0.00 ATOM 401 CB GLU 140 -6.850 -3.643 7.052 1.00 0.00 ATOM 402 CG GLU 140 -7.987 -4.138 7.930 1.00 0.00 ATOM 403 CD GLU 140 -8.576 -3.041 8.795 1.00 0.00 ATOM 404 OE1 GLU 140 -8.068 -1.901 8.735 1.00 0.00 ATOM 405 OE2 GLU 140 -9.545 -3.319 9.531 1.00 0.00 ATOM 406 O GLU 140 -5.759 -3.594 4.150 1.00 0.00 ATOM 407 C GLU 140 -5.285 -4.054 5.180 1.00 0.00 ATOM 408 N LEU 141 -3.995 -3.985 5.482 1.00 0.00 ATOM 409 CA LEU 141 -2.997 -3.361 4.628 1.00 0.00 ATOM 410 CB LEU 141 -1.783 -2.926 5.453 1.00 0.00 ATOM 411 CG LEU 141 -2.031 -1.849 6.510 1.00 0.00 ATOM 412 CD1 LEU 141 -0.772 -1.593 7.322 1.00 0.00 ATOM 413 CD2 LEU 141 -2.449 -0.540 5.856 1.00 0.00 ATOM 414 O LEU 141 -1.841 -3.873 2.595 1.00 0.00 ATOM 415 C LEU 141 -2.501 -4.296 3.544 1.00 0.00 ATOM 416 N LEU 154 -2.798 -5.578 3.722 1.00 0.00 ATOM 417 CA LEU 154 -2.352 -6.629 2.829 1.00 0.00 ATOM 418 CB LEU 154 -2.083 -7.918 3.609 1.00 0.00 ATOM 419 CG LEU 154 -0.972 -7.855 4.659 1.00 0.00 ATOM 420 CD1 LEU 154 -0.901 -9.156 5.443 1.00 0.00 ATOM 421 CD2 LEU 154 0.378 -7.623 3.999 1.00 0.00 ATOM 422 O LEU 154 -3.086 -7.141 0.607 1.00 0.00 ATOM 423 C LEU 154 -3.413 -6.918 1.770 1.00 0.00 ATOM 424 N GLY 155 -4.672 -6.941 2.201 1.00 0.00 ATOM 425 CA GLY 155 -5.823 -7.257 1.371 1.00 0.00 ATOM 426 O GLY 155 -5.639 -7.594 -0.985 1.00 0.00 ATOM 427 C GLY 155 -5.764 -8.115 0.123 1.00 0.00 ATOM 428 N GLU 156 -5.968 -9.438 0.325 1.00 0.00 ATOM 429 CA GLU 156 -6.049 -10.370 -0.824 1.00 0.00 ATOM 430 CB GLU 156 -7.077 -9.877 -1.844 1.00 0.00 ATOM 431 CG GLU 156 -8.479 -9.711 -1.281 1.00 0.00 ATOM 432 CD GLU 156 -9.470 -9.225 -2.320 1.00 0.00 ATOM 433 OE1 GLU 156 -9.797 -10.006 -3.240 1.00 0.00 ATOM 434 OE2 GLU 156 -9.920 -8.065 -2.216 1.00 0.00 ATOM 435 O GLU 156 -5.096 -10.924 -2.981 1.00 0.00 ATOM 436 C GLU 156 -4.900 -10.750 -1.776 1.00 0.00 ATOM 437 N PRO 157 -3.719 -10.974 -1.145 1.00 0.00 ATOM 438 CA PRO 157 -2.547 -11.377 -1.902 1.00 0.00 ATOM 439 CB PRO 157 -1.399 -11.264 -0.896 1.00 0.00 ATOM 440 CG PRO 157 -2.042 -11.498 0.430 1.00 0.00 ATOM 441 CD PRO 157 -3.410 -10.885 0.347 1.00 0.00 ATOM 442 O PRO 157 -3.815 -13.408 -1.874 1.00 0.00 ATOM 443 C PRO 157 -2.854 -12.800 -2.340 1.00 0.00 ATOM 444 N ASP 158 -2.027 -13.330 -3.231 1.00 0.00 ATOM 445 CA ASP 158 -2.228 -14.666 -3.764 1.00 0.00 ATOM 446 CB ASP 158 -1.824 -14.720 -5.239 1.00 0.00 ATOM 447 CG ASP 158 -2.688 -13.830 -6.113 1.00 0.00 ATOM 448 OD1 ASP 158 -3.927 -13.984 -6.075 1.00 0.00 ATOM 449 OD2 ASP 158 -2.125 -12.979 -6.833 1.00 0.00 ATOM 450 O ASP 158 -1.767 -16.839 -2.866 1.00 0.00 ATOM 451 C ASP 158 -1.388 -15.675 -3.001 1.00 0.00 ATOM 452 N VAL 159 -0.246 -15.220 -2.499 1.00 0.00 ATOM 453 CA VAL 159 0.660 -16.065 -1.733 1.00 0.00 ATOM 454 CB VAL 159 1.524 -16.947 -2.654 1.00 0.00 ATOM 455 CG1 VAL 159 2.502 -16.093 -3.446 1.00 0.00 ATOM 456 CG2 VAL 159 2.317 -17.954 -1.834 1.00 0.00 ATOM 457 O VAL 159 1.730 -13.997 -1.130 1.00 0.00 ATOM 458 C VAL 159 1.589 -15.200 -0.894 1.00 0.00 ATOM 459 N LEU 160 2.229 -15.827 0.086 1.00 0.00 ATOM 460 CA LEU 160 3.184 -15.136 0.940 1.00 0.00 ATOM 461 CB LEU 160 2.458 -14.399 2.067 1.00 0.00 ATOM 462 CG LEU 160 1.603 -15.261 3.000 1.00 0.00 ATOM 463 CD1 LEU 160 2.452 -15.846 4.118 1.00 0.00 ATOM 464 CD2 LEU 160 0.493 -14.434 3.629 1.00 0.00 ATOM 465 O LEU 160 3.956 -17.301 1.667 1.00 0.00 ATOM 466 C LEU 160 4.178 -16.089 1.581 1.00 0.00 ATOM 467 N SER 161 5.268 -15.487 2.057 1.00 0.00 ATOM 468 CA SER 161 6.281 -16.217 2.770 1.00 0.00 ATOM 469 CB SER 161 7.325 -16.772 1.799 1.00 0.00 ATOM 470 OG SER 161 8.346 -17.470 2.491 1.00 0.00 ATOM 471 O SER 161 7.034 -14.030 3.374 1.00 0.00 ATOM 472 C SER 161 6.892 -15.204 3.715 1.00 0.00 ATOM 473 N GLN 162 7.231 -15.652 4.910 1.00 0.00 ATOM 474 CA GLN 162 7.923 -14.806 5.853 1.00 0.00 ATOM 475 CB GLN 162 6.952 -14.282 6.916 1.00 0.00 ATOM 476 CG GLN 162 6.383 -15.361 7.821 1.00 0.00 ATOM 477 CD GLN 162 5.422 -14.807 8.855 1.00 0.00 ATOM 478 OE1 GLN 162 5.304 -13.594 9.018 1.00 0.00 ATOM 479 NE2 GLN 162 4.730 -15.699 9.555 1.00 0.00 ATOM 480 O GLN 162 8.923 -16.791 6.715 1.00 0.00 ATOM 481 C GLN 162 9.016 -15.573 6.544 1.00 0.00 ATOM 482 N SER 163 10.026 -14.826 6.991 1.00 0.00 ATOM 483 CA SER 163 11.172 -15.441 7.668 1.00 0.00 ATOM 484 CB SER 163 12.379 -15.503 6.731 1.00 0.00 ATOM 485 OG SER 163 12.825 -14.201 6.388 1.00 0.00 ATOM 486 O SER 163 11.008 -13.333 8.779 1.00 0.00 ATOM 487 C SER 163 11.396 -14.500 8.851 1.00 0.00 ATOM 488 N MET 164 11.881 -15.062 9.980 1.00 0.00 ATOM 489 CA MET 164 12.117 -14.232 11.158 1.00 0.00 ATOM 490 CB MET 164 10.824 -14.053 11.955 1.00 0.00 ATOM 491 CG MET 164 10.966 -13.159 13.176 1.00 0.00 ATOM 492 SD MET 164 9.415 -12.950 14.070 1.00 0.00 ATOM 493 CE MET 164 9.219 -14.577 14.795 1.00 0.00 ATOM 494 O MET 164 12.732 -15.253 13.246 1.00 0.00 ATOM 495 C MET 164 13.112 -14.627 12.248 1.00 0.00 ATOM 496 N SER 165 14.359 -14.123 12.120 1.00 0.00 ATOM 497 CA SER 165 15.368 -14.513 13.109 1.00 0.00 ATOM 498 CB SER 165 16.714 -14.773 12.428 1.00 0.00 ATOM 499 OG SER 165 16.645 -15.903 11.578 1.00 0.00 ATOM 500 O SER 165 15.110 -12.193 13.675 1.00 0.00 ATOM 501 C SER 165 15.434 -13.320 14.052 1.00 0.00 ATOM 502 N SER 166 15.709 -13.649 15.334 1.00 0.00 ATOM 503 CA SER 166 15.822 -12.619 16.368 1.00 0.00 ATOM 504 CB SER 166 16.888 -11.590 15.984 1.00 0.00 ATOM 505 OG SER 166 18.164 -12.194 15.874 1.00 0.00 ATOM 506 O SER 166 13.427 -12.673 16.209 1.00 0.00 ATOM 507 C SER 166 14.426 -11.976 16.438 1.00 0.00 ATOM 511 N GLU 169 10.866 -9.932 11.504 1.00 0.00 ATOM 512 CA GLU 169 10.148 -10.710 10.508 1.00 0.00 ATOM 513 CB GLU 169 8.698 -10.931 10.941 1.00 0.00 ATOM 514 CG GLU 169 7.907 -11.846 10.021 1.00 0.00 ATOM 515 CD GLU 169 6.544 -12.201 10.584 1.00 0.00 ATOM 516 OE1 GLU 169 6.489 -12.725 11.717 1.00 0.00 ATOM 517 OE2 GLU 169 5.534 -11.957 9.893 1.00 0.00 ATOM 518 O GLU 169 9.490 -8.972 8.998 1.00 0.00 ATOM 519 C GLU 169 10.129 -10.012 9.160 1.00 0.00 ATOM 520 N GLU 170 10.739 -10.652 8.158 1.00 0.00 ATOM 521 CA GLU 170 10.720 -10.048 6.823 1.00 0.00 ATOM 522 CB GLU 170 12.046 -10.297 6.103 1.00 0.00 ATOM 523 CG GLU 170 12.113 -9.712 4.701 1.00 0.00 ATOM 524 CD GLU 170 13.435 -9.991 4.015 1.00 0.00 ATOM 525 OE1 GLU 170 14.300 -10.644 4.635 1.00 0.00 ATOM 526 OE2 GLU 170 13.607 -9.555 2.857 1.00 0.00 ATOM 527 O GLU 170 9.524 -12.049 6.218 1.00 0.00 ATOM 528 C GLU 170 9.536 -10.818 6.239 1.00 0.00 ATOM 529 N MET 171 8.486 -10.050 5.889 1.00 0.00 ATOM 530 CA MET 171 7.278 -10.702 5.438 1.00 0.00 ATOM 531 CB MET 171 6.084 -10.267 6.290 1.00 0.00 ATOM 532 CG MET 171 6.162 -10.710 7.741 1.00 0.00 ATOM 533 SD MET 171 4.828 -10.034 8.748 1.00 0.00 ATOM 534 CE MET 171 5.397 -8.351 8.978 1.00 0.00 ATOM 535 O MET 171 6.952 -9.131 3.650 1.00 0.00 ATOM 536 C MET 171 7.032 -10.319 3.991 1.00 0.00 ATOM 537 N GLN 172 6.903 -11.317 3.132 1.00 0.00 ATOM 538 CA GLN 172 6.706 -11.028 1.723 1.00 0.00 ATOM 539 CB GLN 172 7.746 -11.761 0.874 1.00 0.00 ATOM 540 CG GLN 172 7.627 -13.276 0.916 1.00 0.00 ATOM 541 CD GLN 172 8.729 -13.969 0.139 1.00 0.00 ATOM 542 OE1 GLN 172 8.766 -13.910 -1.090 1.00 0.00 ATOM 543 NE2 GLN 172 9.631 -14.629 0.856 1.00 0.00 ATOM 544 O GLN 172 4.821 -12.528 1.486 1.00 0.00 ATOM 545 C GLN 172 5.327 -11.447 1.179 1.00 0.00 ATOM 546 N THR 173 4.735 -10.577 0.365 1.00 0.00 ATOM 547 CA THR 173 3.407 -10.805 -0.208 1.00 0.00 ATOM 548 CB THR 173 2.387 -9.768 0.298 1.00 0.00 ATOM 549 CG2 THR 173 2.292 -9.813 1.816 1.00 0.00 ATOM 550 OG1 THR 173 2.798 -8.454 -0.101 1.00 0.00 ATOM 551 O THR 173 4.084 -9.887 -2.322 1.00 0.00 ATOM 552 C THR 173 3.393 -10.720 -1.732 1.00 0.00 ATOM 553 N VAL 174 2.619 -11.595 -2.364 1.00 0.00 ATOM 554 CA VAL 174 2.601 -11.672 -3.815 1.00 0.00 ATOM 555 CB VAL 174 2.991 -13.078 -4.309 1.00 0.00 ATOM 556 CG1 VAL 174 2.909 -13.149 -5.826 1.00 0.00 ATOM 557 CG2 VAL 174 4.414 -13.415 -3.888 1.00 0.00 ATOM 558 O VAL 174 0.212 -11.851 -3.814 1.00 0.00 ATOM 559 C VAL 174 1.217 -11.359 -4.341 1.00 0.00 ATOM 560 N TRP 175 1.180 -10.533 -5.381 1.00 0.00 ATOM 561 CA TRP 175 -0.061 -10.186 -6.053 1.00 0.00 ATOM 562 CB TRP 175 -0.364 -8.696 -5.886 1.00 0.00 ATOM 563 CG TRP 175 -1.702 -8.290 -6.421 1.00 0.00 ATOM 564 CD1 TRP 175 -2.673 -9.117 -6.911 1.00 0.00 ATOM 565 CD2 TRP 175 -2.221 -6.959 -6.520 1.00 0.00 ATOM 566 CE2 TRP 175 -3.510 -7.053 -7.080 1.00 0.00 ATOM 567 CE3 TRP 175 -1.719 -5.696 -6.192 1.00 0.00 ATOM 568 NE1 TRP 175 -3.765 -8.383 -7.309 1.00 0.00 ATOM 569 CZ2 TRP 175 -4.305 -5.933 -7.318 1.00 0.00 ATOM 570 CZ3 TRP 175 -2.512 -4.588 -6.429 1.00 0.00 ATOM 571 CH2 TRP 175 -3.789 -4.711 -6.986 1.00 0.00 ATOM 572 O TRP 175 0.704 -9.771 -8.301 1.00 0.00 ATOM 573 C TRP 175 0.065 -10.505 -7.539 1.00 0.00 ATOM 574 N SER 176 -0.521 -11.631 -7.934 1.00 0.00 ATOM 575 CA SER 176 -0.555 -12.037 -9.326 1.00 0.00 ATOM 576 CB SER 176 -1.207 -13.414 -9.466 1.00 0.00 ATOM 577 OG SER 176 -1.241 -13.826 -10.822 1.00 0.00 ATOM 578 O SER 176 -2.541 -10.829 -9.907 1.00 0.00 ATOM 579 C SER 176 -1.354 -11.038 -10.151 1.00 0.00 ATOM 580 N LYS 182 -0.690 -10.416 -11.120 1.00 0.00 ATOM 581 CA LYS 182 -1.329 -9.418 -11.971 1.00 0.00 ATOM 582 CB LYS 182 -0.493 -8.136 -12.014 1.00 0.00 ATOM 583 CG LYS 182 -0.418 -7.401 -10.686 1.00 0.00 ATOM 584 CD LYS 182 0.484 -6.181 -10.781 1.00 0.00 ATOM 585 CE LYS 182 -0.160 -5.083 -11.612 1.00 0.00 ATOM 586 NZ LYS 182 0.701 -3.870 -11.690 1.00 0.00 ATOM 587 O LYS 182 -1.218 -11.055 -13.713 1.00 0.00 ATOM 588 C LYS 182 -1.494 -9.899 -13.401 1.00 0.00 ATOM 589 N SER 183 -1.938 -8.989 -14.262 1.00 0.00 ATOM 590 CA SER 183 -2.173 -9.276 -15.680 1.00 0.00 ATOM 591 CB SER 183 -3.041 -8.185 -16.312 1.00 0.00 ATOM 592 OG SER 183 -2.349 -6.949 -16.358 1.00 0.00 ATOM 593 O SER 183 0.138 -8.721 -16.039 1.00 0.00 ATOM 594 C SER 183 -0.852 -9.340 -16.443 1.00 0.00 ATOM 595 N SER 184 -0.848 -10.096 -17.538 1.00 0.00 ATOM 596 CA SER 184 0.323 -10.225 -18.414 1.00 0.00 ATOM 597 CB SER 184 0.737 -8.857 -18.960 1.00 0.00 ATOM 598 OG SER 184 -0.306 -8.276 -19.723 1.00 0.00 ATOM 599 O SER 184 2.678 -10.376 -17.917 1.00 0.00 ATOM 600 C SER 184 1.548 -10.814 -17.699 1.00 0.00 ATOM 601 N SER 185 1.305 -11.804 -16.844 1.00 0.00 ATOM 602 CA SER 185 2.376 -12.539 -16.162 1.00 0.00 ATOM 603 CB SER 185 3.304 -13.203 -17.181 1.00 0.00 ATOM 604 OG SER 185 2.595 -14.127 -17.990 1.00 0.00 ATOM 605 O SER 185 4.495 -11.918 -15.193 1.00 0.00 ATOM 606 C SER 185 3.280 -11.690 -15.261 1.00 0.00 ATOM 607 N ALA 186 2.696 -10.720 -14.563 1.00 0.00 ATOM 608 CA ALA 186 3.485 -9.869 -13.675 1.00 0.00 ATOM 609 CB ALA 186 3.297 -8.404 -14.039 1.00 0.00 ATOM 610 O ALA 186 1.944 -9.762 -11.843 1.00 0.00 ATOM 611 C ALA 186 3.079 -10.041 -12.218 1.00 0.00 ATOM 612 N THR 187 4.019 -10.516 -11.408 1.00 0.00 ATOM 613 CA THR 187 3.821 -10.634 -9.974 1.00 0.00 ATOM 614 CB THR 187 4.660 -11.782 -9.382 1.00 0.00 ATOM 615 CG2 THR 187 4.238 -13.115 -9.981 1.00 0.00 ATOM 616 OG1 THR 187 6.047 -11.562 -9.670 1.00 0.00 ATOM 617 O THR 187 5.268 -8.783 -9.494 1.00 0.00 ATOM 618 C THR 187 4.216 -9.364 -9.230 1.00 0.00 ATOM 619 N ILE 188 3.411 -8.994 -8.227 1.00 0.00 ATOM 620 CA ILE 188 3.715 -7.792 -7.462 1.00 0.00 ATOM 621 CB ILE 188 2.480 -6.881 -7.326 1.00 0.00 ATOM 622 CG1 ILE 188 1.927 -6.524 -8.708 1.00 0.00 ATOM 623 CG2 ILE 188 2.845 -5.592 -6.607 1.00 0.00 ATOM 624 CD1 ILE 188 2.914 -5.791 -9.590 1.00 0.00 ATOM 625 O ILE 188 3.410 -8.932 -5.370 1.00 0.00 ATOM 626 C ILE 188 4.169 -8.258 -6.087 1.00 0.00 ATOM 627 N GLU 189 5.395 -7.885 -5.715 1.00 0.00 ATOM 628 CA GLU 189 5.939 -8.224 -4.400 1.00 0.00 ATOM 629 CB GLU 189 7.375 -8.738 -4.529 1.00 0.00 ATOM 630 CG GLU 189 7.494 -10.070 -5.247 1.00 0.00 ATOM 631 CD GLU 189 6.948 -11.224 -4.430 1.00 0.00 ATOM 632 OE1 GLU 189 6.668 -11.022 -3.229 1.00 0.00 ATOM 633 OE2 GLU 189 6.802 -12.332 -4.988 1.00 0.00 ATOM 634 O GLU 189 6.701 -6.094 -3.637 1.00 0.00 ATOM 635 C GLU 189 5.990 -7.071 -3.414 1.00 0.00 ATOM 636 N LEU 190 5.225 -7.191 -2.333 1.00 0.00 ATOM 637 CA LEU 190 5.213 -6.200 -1.258 1.00 0.00 ATOM 638 CB LEU 190 3.776 -5.861 -0.858 1.00 0.00 ATOM 639 CG LEU 190 2.885 -5.280 -1.957 1.00 0.00 ATOM 640 CD1 LEU 190 1.467 -5.073 -1.447 1.00 0.00 ATOM 641 CD2 LEU 190 3.422 -3.936 -2.429 1.00 0.00 ATOM 642 O LEU 190 5.779 -8.083 0.100 1.00 0.00 ATOM 643 C LEU 190 5.971 -6.890 -0.130 1.00 0.00 ATOM 644 N TYR 191 6.802 -6.140 0.588 1.00 0.00 ATOM 645 CA TYR 191 7.592 -6.733 1.674 1.00 0.00 ATOM 646 CB TYR 191 9.030 -6.983 1.216 1.00 0.00 ATOM 647 CG TYR 191 9.144 -7.941 0.050 1.00 0.00 ATOM 648 CD1 TYR 191 9.198 -7.468 -1.255 1.00 0.00 ATOM 649 CD2 TYR 191 9.197 -9.312 0.260 1.00 0.00 ATOM 650 CE1 TYR 191 9.302 -8.336 -2.326 1.00 0.00 ATOM 651 CE2 TYR 191 9.302 -10.195 -0.799 1.00 0.00 ATOM 652 CZ TYR 191 9.354 -9.694 -2.100 1.00 0.00 ATOM 653 OH TYR 191 9.458 -10.561 -3.164 1.00 0.00 ATOM 654 O TYR 191 8.108 -4.704 2.829 1.00 0.00 ATOM 655 C TYR 191 7.668 -5.855 2.914 1.00 0.00 ATOM 656 N PHE 192 7.244 -6.394 4.060 1.00 0.00 ATOM 657 CA PHE 192 7.323 -5.663 5.342 1.00 0.00 ATOM 658 CB PHE 192 5.970 -5.689 6.057 1.00 0.00 ATOM 659 CG PHE 192 4.875 -4.988 5.307 1.00 0.00 ATOM 660 CD1 PHE 192 3.932 -5.709 4.593 1.00 0.00 ATOM 661 CD2 PHE 192 4.785 -3.607 5.314 1.00 0.00 ATOM 662 CE1 PHE 192 2.924 -5.064 3.903 1.00 0.00 ATOM 663 CE2 PHE 192 3.776 -2.961 4.623 1.00 0.00 ATOM 664 CZ PHE 192 2.848 -3.684 3.919 1.00 0.00 ATOM 665 O PHE 192 8.242 -7.372 6.735 1.00 0.00 ATOM 666 C PHE 192 8.328 -6.204 6.339 1.00 0.00 ATOM 670 N GLY 195 1.158 -8.678 19.439 1.00 0.00 ATOM 671 CA GLY 195 -0.212 -8.308 19.008 1.00 0.00 ATOM 672 O GLY 195 -1.053 -6.539 17.575 1.00 0.00 ATOM 673 C GLY 195 -0.147 -6.906 18.347 1.00 0.00 ATOM 674 N LEU 196 1.014 -6.209 18.528 1.00 0.00 ATOM 675 CA LEU 196 1.131 -4.876 17.924 1.00 0.00 ATOM 676 CB LEU 196 1.323 -3.812 19.006 1.00 0.00 ATOM 677 CG LEU 196 0.197 -3.678 20.033 1.00 0.00 ATOM 678 CD1 LEU 196 0.577 -2.683 21.120 1.00 0.00 ATOM 679 CD2 LEU 196 -1.082 -3.192 19.369 1.00 0.00 ATOM 680 O LEU 196 3.411 -5.469 17.472 1.00 0.00 ATOM 681 C LEU 196 2.353 -5.024 17.033 1.00 0.00 ATOM 682 N LEU 197 2.199 -4.637 15.778 1.00 0.00 ATOM 683 CA LEU 197 3.238 -4.802 14.776 1.00 0.00 ATOM 684 CB LEU 197 2.635 -5.263 13.448 1.00 0.00 ATOM 685 CG LEU 197 1.890 -6.599 13.470 1.00 0.00 ATOM 686 CD1 LEU 197 1.290 -6.903 12.107 1.00 0.00 ATOM 687 CD2 LEU 197 2.834 -7.735 13.836 1.00 0.00 ATOM 688 O LEU 197 3.352 -2.461 14.252 1.00 0.00 ATOM 689 C LEU 197 3.970 -3.485 14.541 1.00 0.00 ATOM 690 N LYS 198 5.291 -3.532 14.692 1.00 0.00 ATOM 691 CA LYS 198 6.145 -2.358 14.564 1.00 0.00 ATOM 692 CB LYS 198 7.103 -2.261 15.753 1.00 0.00 ATOM 693 CG LYS 198 6.415 -2.003 17.085 1.00 0.00 ATOM 694 CD LYS 198 7.428 -1.859 18.210 1.00 0.00 ATOM 695 CE LYS 198 6.741 -1.590 19.539 1.00 0.00 ATOM 696 NZ LYS 198 7.722 -1.309 20.624 1.00 0.00 ATOM 697 O LYS 198 7.983 -3.145 13.274 1.00 0.00 ATOM 698 C LYS 198 6.938 -2.484 13.288 1.00 0.00 ATOM 699 N ASN 199 6.419 -1.861 12.223 1.00 0.00 ATOM 700 CA ASN 199 7.041 -1.882 10.897 1.00 0.00 ATOM 701 CB ASN 199 6.044 -1.419 9.832 1.00 0.00 ATOM 702 CG ASN 199 6.590 -1.560 8.424 1.00 0.00 ATOM 703 ND2 ASN 199 5.693 -1.686 7.454 1.00 0.00 ATOM 704 OD1 ASN 199 7.803 -1.554 8.215 1.00 0.00 ATOM 705 O ASN 199 8.144 0.239 11.090 1.00 0.00 ATOM 706 C ASN 199 8.250 -0.966 10.843 1.00 0.00 ATOM 707 N LYS 200 9.397 -1.536 10.501 1.00 0.00 ATOM 708 CA LYS 200 10.591 -0.743 10.277 1.00 0.00 ATOM 709 CB LYS 200 11.830 -1.484 10.786 1.00 0.00 ATOM 710 CG LYS 200 13.119 -0.687 10.675 1.00 0.00 ATOM 711 CD LYS 200 14.293 -1.451 11.264 1.00 0.00 ATOM 712 CE LYS 200 15.584 -0.654 11.153 1.00 0.00 ATOM 713 NZ LYS 200 16.741 -1.389 11.734 1.00 0.00 ATOM 714 O LYS 200 11.478 0.549 8.465 1.00 0.00 ATOM 715 C LYS 200 10.819 -0.436 8.799 1.00 0.00 TER END