PFRMAT TS TARGET T0404 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 T0404 model 5 Thu May 15 16:24:13 2008 MODEL 5 PARENT N/A ATOM 2 N ALA 5 -11.695 5.844 12.257 1.00 0.00 ATOM 3 CA ALA 5 -11.628 5.462 10.845 1.00 0.00 ATOM 4 CB ALA 5 -12.866 5.945 10.105 1.00 0.00 ATOM 5 O ALA 5 -10.010 7.248 10.661 1.00 0.00 ATOM 6 C ALA 5 -10.358 6.131 10.276 1.00 0.00 ATOM 7 N ASN 6 -9.651 5.426 9.394 1.00 0.00 ATOM 8 CA ASN 6 -8.447 5.964 8.752 1.00 0.00 ATOM 9 CB ASN 6 -7.215 5.157 9.163 1.00 0.00 ATOM 10 CG ASN 6 -6.944 5.228 10.653 1.00 0.00 ATOM 11 ND2 ASN 6 -7.099 4.100 11.338 1.00 0.00 ATOM 12 OD1 ASN 6 -6.596 6.285 11.181 1.00 0.00 ATOM 13 O ASN 6 -9.197 4.967 6.683 1.00 0.00 ATOM 14 C ASN 6 -8.591 5.897 7.229 1.00 0.00 ATOM 15 N LYS 7 -8.026 6.885 6.551 1.00 0.00 ATOM 16 CA LYS 7 -7.813 6.782 5.123 1.00 0.00 ATOM 17 CB LYS 7 -8.165 8.102 4.433 1.00 0.00 ATOM 18 CG LYS 7 -8.078 8.052 2.916 1.00 0.00 ATOM 19 CD LYS 7 -8.405 9.402 2.299 1.00 0.00 ATOM 20 CE LYS 7 -8.329 9.348 0.781 1.00 0.00 ATOM 21 NZ LYS 7 -8.651 10.664 0.163 1.00 0.00 ATOM 22 O LYS 7 -5.473 7.233 5.292 1.00 0.00 ATOM 23 C LYS 7 -6.344 6.455 4.911 1.00 0.00 ATOM 24 N LEU 8 -6.092 5.307 4.292 1.00 0.00 ATOM 25 CA LEU 8 -4.758 4.908 3.920 1.00 0.00 ATOM 26 CB LEU 8 -4.546 3.419 4.200 1.00 0.00 ATOM 27 CG LEU 8 -4.700 2.974 5.655 1.00 0.00 ATOM 28 CD1 LEU 8 -4.527 1.468 5.779 1.00 0.00 ATOM 29 CD2 LEU 8 -3.658 3.646 6.536 1.00 0.00 ATOM 30 O LEU 8 -5.356 4.688 1.625 1.00 0.00 ATOM 31 C LEU 8 -4.576 5.177 2.437 1.00 0.00 ATOM 32 N VAL 9 -3.556 5.971 2.103 1.00 0.00 ATOM 33 CA VAL 9 -3.174 6.250 0.725 1.00 0.00 ATOM 34 CB VAL 9 -3.001 7.761 0.482 1.00 0.00 ATOM 35 CG1 VAL 9 -2.555 8.023 -0.948 1.00 0.00 ATOM 36 CG2 VAL 9 -4.313 8.492 0.718 1.00 0.00 ATOM 37 O VAL 9 -0.929 5.657 1.241 1.00 0.00 ATOM 38 C VAL 9 -1.865 5.552 0.448 1.00 0.00 ATOM 39 N ILE 10 -1.800 4.854 -0.681 1.00 0.00 ATOM 40 CA ILE 10 -0.609 4.128 -1.087 1.00 0.00 ATOM 41 CB ILE 10 -0.835 2.606 -1.050 1.00 0.00 ATOM 42 CG1 ILE 10 -1.184 2.153 0.371 1.00 0.00 ATOM 43 CG2 ILE 10 0.420 1.870 -1.494 1.00 0.00 ATOM 44 CD1 ILE 10 -1.626 0.708 0.459 1.00 0.00 ATOM 45 O ILE 10 -1.068 4.442 -3.407 1.00 0.00 ATOM 46 C ILE 10 -0.246 4.535 -2.511 1.00 0.00 ATOM 47 N VAL 11 0.985 4.979 -2.711 1.00 0.00 ATOM 48 CA VAL 11 1.485 5.340 -4.036 1.00 0.00 ATOM 49 CB VAL 11 2.148 6.731 -4.029 1.00 0.00 ATOM 50 CG1 VAL 11 2.693 7.068 -5.408 1.00 0.00 ATOM 51 CG2 VAL 11 1.139 7.799 -3.636 1.00 0.00 ATOM 52 O VAL 11 3.522 4.125 -3.745 1.00 0.00 ATOM 53 C VAL 11 2.509 4.283 -4.420 1.00 0.00 ATOM 54 N THR 12 2.226 3.541 -5.486 1.00 0.00 ATOM 55 CA THR 12 3.025 2.363 -5.815 1.00 0.00 ATOM 56 CB THR 12 2.297 1.062 -5.428 1.00 0.00 ATOM 57 CG2 THR 12 1.103 0.828 -6.339 1.00 0.00 ATOM 58 OG1 THR 12 3.198 -0.045 -5.548 1.00 0.00 ATOM 59 O THR 12 2.756 3.052 -8.094 1.00 0.00 ATOM 60 C THR 12 3.316 2.299 -7.294 1.00 0.00 ATOM 61 N GLU 13 4.219 1.389 -7.644 1.00 0.00 ATOM 62 CA GLU 13 4.464 1.058 -9.034 1.00 0.00 ATOM 63 CB GLU 13 5.653 0.101 -9.156 1.00 0.00 ATOM 64 CG GLU 13 6.051 -0.216 -10.588 1.00 0.00 ATOM 65 CD GLU 13 7.260 -1.127 -10.669 1.00 0.00 ATOM 66 OE1 GLU 13 7.788 -1.508 -9.603 1.00 0.00 ATOM 67 OE2 GLU 13 7.680 -1.459 -11.797 1.00 0.00 ATOM 68 O GLU 13 2.586 -0.461 -8.939 1.00 0.00 ATOM 69 C GLU 13 3.200 0.385 -9.600 1.00 0.00 ATOM 70 N LYS 14 2.773 0.799 -10.798 1.00 0.00 ATOM 71 CA LYS 14 1.499 0.271 -11.282 1.00 0.00 ATOM 72 CB LYS 14 1.214 0.775 -12.699 1.00 0.00 ATOM 73 CG LYS 14 -0.116 0.312 -13.268 1.00 0.00 ATOM 74 CD LYS 14 -0.372 0.917 -14.638 1.00 0.00 ATOM 75 CE LYS 14 -1.712 0.468 -15.198 1.00 0.00 ATOM 76 NZ LYS 14 -1.977 1.056 -16.540 1.00 0.00 ATOM 77 O LYS 14 0.310 -1.796 -11.136 1.00 0.00 ATOM 78 C LYS 14 1.394 -1.264 -11.361 1.00 0.00 ATOM 79 N VAL 15 2.500 -1.962 -11.637 1.00 0.00 ATOM 80 CA VAL 15 2.475 -3.424 -11.723 1.00 0.00 ATOM 81 CB VAL 15 3.783 -3.975 -12.326 1.00 0.00 ATOM 82 CG1 VAL 15 3.987 -3.438 -13.734 1.00 0.00 ATOM 83 CG2 VAL 15 4.975 -3.565 -11.475 1.00 0.00 ATOM 84 O VAL 15 2.013 -5.311 -10.324 1.00 0.00 ATOM 85 C VAL 15 2.304 -4.110 -10.371 1.00 0.00 ATOM 86 N LEU 16 2.445 -3.364 -9.274 1.00 0.00 ATOM 87 CA LEU 16 2.205 -3.949 -7.958 1.00 0.00 ATOM 88 CB LEU 16 3.035 -3.230 -6.893 1.00 0.00 ATOM 89 CG LEU 16 4.555 -3.307 -7.049 1.00 0.00 ATOM 90 CD1 LEU 16 5.248 -2.470 -5.985 1.00 0.00 ATOM 91 CD2 LEU 16 5.036 -4.744 -6.913 1.00 0.00 ATOM 92 O LEU 16 0.409 -4.380 -6.472 1.00 0.00 ATOM 93 C LEU 16 0.761 -3.865 -7.527 1.00 0.00 ATOM 94 N LEU 17 -0.092 -3.244 -8.339 1.00 0.00 ATOM 95 CA LEU 17 -1.493 -3.037 -7.949 1.00 0.00 ATOM 96 CB LEU 17 -2.260 -2.323 -9.064 1.00 0.00 ATOM 97 CG LEU 17 -3.743 -2.054 -8.802 1.00 0.00 ATOM 98 CD1 LEU 17 -3.920 -1.145 -7.595 1.00 0.00 ATOM 99 CD2 LEU 17 -4.388 -1.381 -10.002 1.00 0.00 ATOM 100 O LEU 17 -2.961 -4.424 -6.655 1.00 0.00 ATOM 101 C LEU 17 -2.245 -4.332 -7.657 1.00 0.00 ATOM 102 N LYS 18 -2.106 -5.323 -8.532 1.00 0.00 ATOM 103 CA LYS 18 -2.813 -6.596 -8.354 1.00 0.00 ATOM 104 CB LYS 18 -2.538 -7.532 -9.532 1.00 0.00 ATOM 105 CG LYS 18 -3.265 -8.864 -9.450 1.00 0.00 ATOM 106 CD LYS 18 -3.003 -9.714 -10.683 1.00 0.00 ATOM 107 CE LYS 18 -3.692 -11.065 -10.578 1.00 0.00 ATOM 108 NZ LYS 18 -3.423 -11.918 -11.769 1.00 0.00 ATOM 109 O LYS 18 -3.168 -7.682 -6.242 1.00 0.00 ATOM 110 C LYS 18 -2.351 -7.284 -7.067 1.00 0.00 ATOM 111 N LYS 19 -1.037 -7.384 -6.888 1.00 0.00 ATOM 112 CA LYS 19 -0.482 -7.938 -5.661 1.00 0.00 ATOM 113 CB LYS 19 1.042 -7.809 -5.658 1.00 0.00 ATOM 114 CG LYS 19 1.746 -8.718 -6.651 1.00 0.00 ATOM 115 CD LYS 19 3.256 -8.560 -6.573 1.00 0.00 ATOM 116 CE LYS 19 3.960 -9.489 -7.549 1.00 0.00 ATOM 117 NZ LYS 19 5.436 -9.305 -7.524 1.00 0.00 ATOM 118 O LYS 19 -1.414 -7.853 -3.460 1.00 0.00 ATOM 119 C LYS 19 -1.017 -7.215 -4.434 1.00 0.00 ATOM 120 N VAL 20 -1.050 -5.886 -4.473 1.00 0.00 ATOM 121 CA VAL 20 -1.559 -5.139 -3.325 1.00 0.00 ATOM 122 CB VAL 20 -1.402 -3.620 -3.527 1.00 0.00 ATOM 123 CG1 VAL 20 -2.113 -2.861 -2.416 1.00 0.00 ATOM 124 CG2 VAL 20 0.068 -3.229 -3.510 1.00 0.00 ATOM 125 O VAL 20 -3.492 -5.591 -1.940 1.00 0.00 ATOM 126 C VAL 20 -3.059 -5.418 -3.083 1.00 0.00 ATOM 127 N ALA 21 -3.834 -5.500 -4.160 1.00 0.00 ATOM 128 CA ALA 21 -5.263 -5.802 -4.068 1.00 0.00 ATOM 129 CB ALA 21 -5.898 -5.781 -5.450 1.00 0.00 ATOM 130 O ALA 21 -6.364 -7.347 -2.577 1.00 0.00 ATOM 131 C ALA 21 -5.513 -7.184 -3.456 1.00 0.00 ATOM 132 N LYS 22 -4.771 -8.178 -3.937 1.00 0.00 ATOM 133 CA LYS 22 -4.919 -9.547 -3.434 1.00 0.00 ATOM 134 CB LYS 22 -4.006 -10.502 -4.206 1.00 0.00 ATOM 135 CG LYS 22 -4.129 -11.957 -3.781 1.00 0.00 ATOM 136 CD LYS 22 -3.255 -12.857 -4.637 1.00 0.00 ATOM 137 CE LYS 22 -3.355 -14.308 -4.193 1.00 0.00 ATOM 138 NZ LYS 22 -2.493 -15.202 -5.014 1.00 0.00 ATOM 139 O LYS 22 -5.269 -10.251 -1.170 1.00 0.00 ATOM 140 C LYS 22 -4.553 -9.629 -1.956 1.00 0.00 ATOM 141 N ILE 23 -3.467 -8.961 -1.565 1.00 0.00 ATOM 142 CA ILE 23 -3.088 -8.877 -0.158 1.00 0.00 ATOM 143 CB ILE 23 -1.812 -8.034 0.035 1.00 0.00 ATOM 144 CG1 ILE 23 -0.621 -8.709 -0.648 1.00 0.00 ATOM 145 CG2 ILE 23 -1.494 -7.878 1.514 1.00 0.00 ATOM 146 CD1 ILE 23 -0.293 -10.078 -0.095 1.00 0.00 ATOM 147 O ILE 23 -4.475 -8.706 1.787 1.00 0.00 ATOM 148 C ILE 23 -4.180 -8.238 0.682 1.00 0.00 ATOM 149 N ILE 24 -4.789 -7.168 0.179 1.00 0.00 ATOM 150 CA ILE 24 -5.880 -6.523 0.927 1.00 0.00 ATOM 151 CB ILE 24 -6.317 -5.204 0.265 1.00 0.00 ATOM 152 CG1 ILE 24 -5.202 -4.161 0.368 1.00 0.00 ATOM 153 CG2 ILE 24 -7.559 -4.651 0.947 1.00 0.00 ATOM 154 CD1 ILE 24 -5.438 -2.930 -0.479 1.00 0.00 ATOM 155 O ILE 24 -7.751 -7.525 2.072 1.00 0.00 ATOM 156 C ILE 24 -7.125 -7.416 1.016 1.00 0.00 ATOM 157 N GLU 25 -7.486 -8.061 -0.083 1.00 0.00 ATOM 158 CA GLU 25 -8.661 -8.935 -0.076 1.00 0.00 ATOM 159 CB GLU 25 -8.903 -9.518 -1.470 1.00 0.00 ATOM 160 CG GLU 25 -9.397 -8.503 -2.489 1.00 0.00 ATOM 161 CD GLU 25 -9.509 -9.087 -3.885 1.00 0.00 ATOM 162 OE1 GLU 25 -9.130 -10.261 -4.069 1.00 0.00 ATOM 163 OE2 GLU 25 -9.975 -8.367 -4.793 1.00 0.00 ATOM 164 O GLU 25 -9.384 -10.445 1.617 1.00 0.00 ATOM 165 C GLU 25 -8.454 -10.084 0.902 1.00 0.00 ATOM 166 N GLU 26 -7.220 -10.594 0.973 1.00 0.00 ATOM 167 CA GLU 26 -6.861 -11.672 1.907 1.00 0.00 ATOM 168 CB GLU 26 -5.366 -11.985 1.813 1.00 0.00 ATOM 169 CG GLU 26 -4.955 -12.680 0.526 1.00 0.00 ATOM 170 CD GLU 26 -3.457 -12.891 0.429 1.00 0.00 ATOM 171 OE1 GLU 26 -2.731 -12.418 1.330 1.00 0.00 ATOM 172 OE2 GLU 26 -3.008 -13.531 -0.545 1.00 0.00 ATOM 173 O GLU 26 -7.282 -12.281 4.178 1.00 0.00 ATOM 174 C GLU 26 -7.145 -11.358 3.380 1.00 0.00 ATOM 175 N ALA 27 -7.215 -10.078 3.753 1.00 0.00 ATOM 176 CA ALA 27 -7.562 -9.709 5.132 1.00 0.00 ATOM 177 CB ALA 27 -6.555 -8.709 5.681 1.00 0.00 ATOM 178 O ALA 27 -9.266 -8.376 6.221 1.00 0.00 ATOM 179 C ALA 27 -8.952 -9.065 5.239 1.00 0.00 ATOM 180 N GLY 28 -9.793 -9.320 4.235 1.00 0.00 ATOM 181 CA GLY 28 -11.179 -8.857 4.237 1.00 0.00 ATOM 182 O GLY 28 -12.374 -6.789 4.110 1.00 0.00 ATOM 183 C GLY 28 -11.385 -7.433 3.738 1.00 0.00 ATOM 184 N ALA 29 -10.466 -6.946 2.896 1.00 0.00 ATOM 185 CA ALA 29 -10.573 -5.601 2.311 1.00 0.00 ATOM 186 CB ALA 29 -9.401 -4.736 2.749 1.00 0.00 ATOM 187 O ALA 29 -9.520 -5.832 0.147 1.00 0.00 ATOM 188 C ALA 29 -10.573 -5.699 0.786 1.00 0.00 ATOM 189 N THR 30 -11.769 -5.644 0.205 1.00 0.00 ATOM 190 CA THR 30 -11.935 -5.679 -1.254 1.00 0.00 ATOM 191 CB THR 30 -12.992 -6.715 -1.678 1.00 0.00 ATOM 192 CG2 THR 30 -12.594 -8.105 -1.206 1.00 0.00 ATOM 193 OG1 THR 30 -14.259 -6.373 -1.101 1.00 0.00 ATOM 194 O THR 30 -12.312 -4.142 -3.080 1.00 0.00 ATOM 195 C THR 30 -12.383 -4.340 -1.859 1.00 0.00 ATOM 196 N GLY 31 -12.852 -3.435 -1.009 1.00 0.00 ATOM 197 CA GLY 31 -13.355 -2.150 -1.471 1.00 0.00 ATOM 198 O GLY 31 -11.577 -0.958 -0.419 1.00 0.00 ATOM 199 C GLY 31 -12.241 -1.127 -1.442 1.00 0.00 ATOM 200 N TYR 32 -12.024 -0.457 -2.569 1.00 0.00 ATOM 201 CA TYR 32 -11.021 0.616 -2.630 1.00 0.00 ATOM 202 CB TYR 32 -9.609 0.035 -2.531 1.00 0.00 ATOM 203 CG TYR 32 -9.268 -0.940 -3.636 1.00 0.00 ATOM 204 CD1 TYR 32 -8.740 -0.494 -4.840 1.00 0.00 ATOM 205 CD2 TYR 32 -9.477 -2.303 -3.470 1.00 0.00 ATOM 206 CE1 TYR 32 -8.426 -1.378 -5.856 1.00 0.00 ATOM 207 CE2 TYR 32 -9.169 -3.202 -4.475 1.00 0.00 ATOM 208 CZ TYR 32 -8.640 -2.726 -5.673 1.00 0.00 ATOM 209 OH TYR 32 -8.329 -3.608 -6.683 1.00 0.00 ATOM 210 O TYR 32 -11.769 1.020 -4.872 1.00 0.00 ATOM 211 C TYR 32 -11.090 1.411 -3.920 1.00 0.00 ATOM 212 N THR 33 -10.352 2.518 -3.942 1.00 0.00 ATOM 213 CA THR 33 -10.383 3.442 -5.071 1.00 0.00 ATOM 214 CB THR 33 -11.014 4.789 -4.679 1.00 0.00 ATOM 215 CG2 THR 33 -11.046 5.731 -5.874 1.00 0.00 ATOM 216 OG1 THR 33 -12.355 4.578 -4.219 1.00 0.00 ATOM 217 O THR 33 -8.049 3.914 -4.763 1.00 0.00 ATOM 218 C THR 33 -8.969 3.701 -5.561 1.00 0.00 ATOM 219 N VAL 34 -8.804 3.676 -6.873 1.00 0.00 ATOM 220 CA VAL 34 -7.498 3.778 -7.504 1.00 0.00 ATOM 221 CB VAL 34 -7.168 2.519 -8.324 1.00 0.00 ATOM 222 CG1 VAL 34 -5.823 2.673 -9.019 1.00 0.00 ATOM 223 CG2 VAL 34 -7.105 1.295 -7.421 1.00 0.00 ATOM 224 O VAL 34 -8.395 5.216 -9.181 1.00 0.00 ATOM 225 C VAL 34 -7.449 4.970 -8.442 1.00 0.00 ATOM 226 N VAL 35 -6.338 5.706 -8.407 1.00 0.00 ATOM 227 CA VAL 35 -6.135 6.864 -9.276 1.00 0.00 ATOM 228 CB VAL 35 -6.132 8.179 -8.473 1.00 0.00 ATOM 229 CG1 VAL 35 -5.870 9.362 -9.390 1.00 0.00 ATOM 230 CG2 VAL 35 -7.474 8.388 -7.789 1.00 0.00 ATOM 231 O VAL 35 -3.801 6.326 -9.379 1.00 0.00 ATOM 232 C VAL 35 -4.796 6.722 -9.984 1.00 0.00 ATOM 233 N ASP 36 -4.769 7.048 -11.269 1.00 0.00 ATOM 234 CA ASP 36 -3.515 7.162 -12.020 1.00 0.00 ATOM 235 CB ASP 36 -3.782 7.092 -13.525 1.00 0.00 ATOM 236 CG ASP 36 -2.507 7.101 -14.345 1.00 0.00 ATOM 237 OD1 ASP 36 -1.418 7.234 -13.748 1.00 0.00 ATOM 238 OD2 ASP 36 -2.597 6.975 -15.584 1.00 0.00 ATOM 239 O ASP 36 -3.537 9.532 -11.798 1.00 0.00 ATOM 240 C ASP 36 -2.889 8.488 -11.675 1.00 0.00 ATOM 241 N THR 37 -1.638 8.462 -11.228 1.00 0.00 ATOM 242 CA THR 37 -0.940 9.695 -10.836 1.00 0.00 ATOM 243 CB THR 37 -0.789 9.797 -9.307 1.00 0.00 ATOM 244 CG2 THR 37 -2.146 9.691 -8.629 1.00 0.00 ATOM 245 OG1 THR 37 0.050 8.733 -8.836 1.00 0.00 ATOM 246 O THR 37 0.849 8.696 -12.052 1.00 0.00 ATOM 247 C THR 37 0.449 9.696 -11.470 1.00 0.00 ATOM 248 N GLY 38 1.141 10.833 -11.397 1.00 0.00 ATOM 249 CA GLY 38 2.486 10.971 -11.916 1.00 0.00 ATOM 250 O GLY 38 3.078 12.151 -9.892 1.00 0.00 ATOM 251 C GLY 38 3.382 11.272 -10.726 1.00 0.00 ATOM 252 N GLY 39 4.481 10.544 -10.636 1.00 0.00 ATOM 253 CA GLY 39 5.394 10.653 -9.491 1.00 0.00 ATOM 254 O GLY 39 7.317 10.989 -10.921 1.00 0.00 ATOM 255 C GLY 39 6.755 11.242 -9.841 1.00 0.00 ATOM 256 N LYS 40 7.262 12.059 -8.927 1.00 0.00 ATOM 257 CA LYS 40 8.604 12.638 -8.992 1.00 0.00 ATOM 258 CB LYS 40 8.523 14.153 -9.188 1.00 0.00 ATOM 259 CG LYS 40 7.929 14.576 -10.522 1.00 0.00 ATOM 260 CD LYS 40 7.920 16.089 -10.667 1.00 0.00 ATOM 261 CE LYS 40 7.260 16.515 -11.969 1.00 0.00 ATOM 262 NZ LYS 40 7.243 17.996 -12.123 1.00 0.00 ATOM 263 O LYS 40 8.651 12.401 -6.611 1.00 0.00 ATOM 264 C LYS 40 9.279 12.300 -7.658 1.00 0.00 ATOM 265 N GLY 41 10.543 11.899 -7.681 1.00 0.00 ATOM 266 CA GLY 41 11.281 11.709 -6.430 1.00 0.00 ATOM 267 O GLY 41 13.351 11.725 -7.618 1.00 0.00 ATOM 268 C GLY 41 12.707 11.258 -6.686 1.00 0.00 ATOM 269 N SER 42 13.190 10.341 -5.854 1.00 0.00 ATOM 270 CA SER 42 14.520 9.761 -6.030 1.00 0.00 ATOM 271 CB SER 42 14.814 8.750 -4.919 1.00 0.00 ATOM 272 OG SER 42 14.835 9.377 -3.650 1.00 0.00 ATOM 273 O SER 42 15.569 9.207 -8.117 1.00 0.00 ATOM 274 C SER 42 14.601 9.051 -7.376 1.00 0.00 ATOM 275 N ARG 43 13.680 8.957 -11.057 1.00 0.00 ATOM 276 CA ARG 43 13.363 9.962 -12.077 1.00 0.00 ATOM 277 CB ARG 43 14.437 11.052 -12.108 1.00 0.00 ATOM 278 CG ARG 43 14.442 11.954 -10.884 1.00 0.00 ATOM 279 CD ARG 43 15.585 12.955 -10.941 1.00 0.00 ATOM 280 NE ARG 43 16.888 12.305 -10.825 1.00 0.00 ATOM 281 CZ ARG 43 18.050 12.923 -11.014 1.00 0.00 ATOM 282 NH1 ARG 43 19.186 12.250 -10.886 1.00 0.00 ATOM 283 NH2 ARG 43 18.073 14.210 -11.329 1.00 0.00 ATOM 284 O ARG 43 13.924 8.347 -13.797 1.00 0.00 ATOM 285 C ARG 43 13.276 9.359 -13.493 1.00 0.00 ATOM 286 N ASN 44 12.469 9.995 -14.345 1.00 0.00 ATOM 287 CA ASN 44 12.233 9.526 -15.709 1.00 0.00 ATOM 288 CB ASN 44 11.110 10.333 -16.366 1.00 0.00 ATOM 289 CG ASN 44 10.712 9.779 -17.721 1.00 0.00 ATOM 290 ND2 ASN 44 9.563 9.117 -17.772 1.00 0.00 ATOM 291 OD1 ASN 44 11.430 9.946 -18.706 1.00 0.00 ATOM 292 O ASN 44 14.297 10.543 -16.426 1.00 0.00 ATOM 293 C ASN 44 13.455 9.650 -16.610 1.00 0.00 ATOM 294 N VAL 45 13.562 8.752 -17.588 1.00 0.00 ATOM 295 CA VAL 45 14.618 8.846 -18.599 1.00 0.00 ATOM 296 CB VAL 45 14.548 7.676 -19.599 1.00 0.00 ATOM 297 CG1 VAL 45 14.740 6.349 -18.880 1.00 0.00 ATOM 298 CG2 VAL 45 13.197 7.653 -20.299 1.00 0.00 ATOM 299 O VAL 45 13.321 10.709 -19.339 1.00 0.00 ATOM 300 C VAL 45 14.423 10.162 -19.343 1.00 0.00 ATOM 301 N ARG 46 15.473 10.662 -19.995 1.00 0.00 ATOM 302 CA ARG 46 15.343 11.795 -20.904 1.00 0.00 ATOM 303 CB ARG 46 16.719 12.254 -21.390 1.00 0.00 ATOM 304 CG ARG 46 17.586 12.871 -20.305 1.00 0.00 ATOM 305 CD ARG 46 18.956 13.251 -20.843 1.00 0.00 ATOM 306 NE ARG 46 19.743 12.078 -21.213 1.00 0.00 ATOM 307 CZ ARG 46 20.906 12.131 -21.856 1.00 0.00 ATOM 308 NH1 ARG 46 21.551 11.012 -22.152 1.00 0.00 ATOM 309 NH2 ARG 46 21.420 13.304 -22.200 1.00 0.00 ATOM 310 O ARG 46 14.473 10.181 -22.478 1.00 0.00 ATOM 311 C ARG 46 14.494 11.360 -22.108 1.00 0.00 ATOM 312 N SER 47 13.799 12.318 -22.698 1.00 0.00 ATOM 313 CA SER 47 13.029 12.083 -23.919 1.00 0.00 ATOM 314 CB SER 47 11.530 12.230 -23.643 1.00 0.00 ATOM 315 OG SER 47 11.088 11.263 -22.708 1.00 0.00 ATOM 316 O SER 47 13.810 14.244 -24.582 1.00 0.00 ATOM 317 C SER 47 13.476 13.116 -24.934 1.00 0.00 ATOM 318 N THR 48 13.482 12.728 -26.196 1.00 0.00 ATOM 319 CA THR 48 13.879 13.615 -27.267 1.00 0.00 ATOM 320 CB THR 48 15.254 13.225 -27.843 1.00 0.00 ATOM 321 CG2 THR 48 16.327 13.327 -26.771 1.00 0.00 ATOM 322 OG1 THR 48 15.207 11.877 -28.325 1.00 0.00 ATOM 323 O THR 48 12.475 12.473 -28.774 1.00 0.00 ATOM 324 C THR 48 12.875 13.560 -28.376 1.00 0.00 ATOM 325 N GLY 49 14.385 18.323 -32.356 1.00 0.00 ATOM 326 CA GLY 49 15.350 19.165 -31.647 1.00 0.00 ATOM 327 O GLY 49 15.976 19.879 -29.466 1.00 0.00 ATOM 328 C GLY 49 15.109 19.352 -30.160 1.00 0.00 ATOM 329 N LYS 50 13.945 18.936 -29.666 1.00 0.00 ATOM 330 CA LYS 50 13.540 19.206 -28.271 1.00 0.00 ATOM 331 CB LYS 50 12.018 19.326 -28.169 1.00 0.00 ATOM 332 CG LYS 50 11.513 19.657 -26.774 1.00 0.00 ATOM 333 CD LYS 50 10.000 19.803 -26.754 1.00 0.00 ATOM 334 CE LYS 50 9.495 20.119 -25.357 1.00 0.00 ATOM 335 NZ LYS 50 8.018 20.309 -25.330 1.00 0.00 ATOM 336 O LYS 50 13.718 16.926 -27.586 1.00 0.00 ATOM 337 C LYS 50 13.984 18.098 -27.342 1.00 0.00 ATOM 338 N PRO 51 14.654 18.484 -26.254 1.00 0.00 ATOM 339 CA PRO 51 15.196 17.552 -25.277 1.00 0.00 ATOM 340 CB PRO 51 16.682 17.904 -25.214 1.00 0.00 ATOM 341 CG PRO 51 16.738 19.354 -25.562 1.00 0.00 ATOM 342 CD PRO 51 15.629 19.589 -26.549 1.00 0.00 ATOM 343 O PRO 51 14.255 18.952 -23.590 1.00 0.00 ATOM 344 C PRO 51 14.473 17.794 -23.963 1.00 0.00 ATOM 345 N ASN 52 14.060 16.716 -23.295 1.00 0.00 ATOM 346 CA ASN 52 13.354 16.817 -22.005 1.00 0.00 ATOM 347 CB ASN 52 11.891 16.396 -22.161 1.00 0.00 ATOM 348 CG ASN 52 11.108 17.330 -23.064 1.00 0.00 ATOM 349 ND2 ASN 52 10.858 16.892 -24.293 1.00 0.00 ATOM 350 OD1 ASN 52 10.736 18.431 -22.658 1.00 0.00 ATOM 351 O ASN 52 13.968 14.679 -21.140 1.00 0.00 ATOM 352 C ASN 52 14.044 15.902 -21.025 1.00 0.00 ATOM 353 N THR 53 14.740 16.497 -20.065 1.00 0.00 ATOM 354 CA THR 53 15.591 15.736 -19.162 1.00 0.00 ATOM 355 CB THR 53 16.901 16.484 -18.857 1.00 0.00 ATOM 356 CG2 THR 53 17.670 16.759 -20.140 1.00 0.00 ATOM 357 OG1 THR 53 16.605 17.732 -18.218 1.00 0.00 ATOM 358 O THR 53 15.321 14.662 -17.050 1.00 0.00 ATOM 359 C THR 53 14.880 15.486 -17.844 1.00 0.00 ATOM 360 N SER 54 13.784 16.210 -17.613 1.00 0.00 ATOM 361 CA SER 54 12.978 16.047 -16.405 1.00 0.00 ATOM 362 CB SER 54 12.750 17.400 -15.727 1.00 0.00 ATOM 363 OG SER 54 11.903 17.268 -14.599 1.00 0.00 ATOM 364 O SER 54 10.917 16.090 -17.580 1.00 0.00 ATOM 365 C SER 54 11.655 15.447 -16.833 1.00 0.00 ATOM 366 N ASP 55 11.371 14.217 -16.390 1.00 0.00 ATOM 367 CA ASP 55 10.103 13.564 -16.695 1.00 0.00 ATOM 368 CB ASP 55 10.287 12.530 -17.807 1.00 0.00 ATOM 369 CG ASP 55 10.603 13.164 -19.146 1.00 0.00 ATOM 370 OD1 ASP 55 9.708 13.819 -19.720 1.00 0.00 ATOM 371 OD2 ASP 55 11.747 13.006 -19.623 1.00 0.00 ATOM 372 O ASP 55 10.268 12.278 -14.663 1.00 0.00 ATOM 373 C ASP 55 9.526 12.839 -15.476 1.00 0.00 ATOM 374 N THR 56 8.196 12.873 -15.349 1.00 0.00 ATOM 375 CA THR 56 7.487 12.150 -14.276 1.00 0.00 ATOM 376 CB THR 56 5.997 12.539 -14.222 1.00 0.00 ATOM 377 CG2 THR 56 5.846 14.038 -14.003 1.00 0.00 ATOM 378 OG1 THR 56 5.362 12.185 -15.457 1.00 0.00 ATOM 379 O THR 56 7.868 10.202 -15.608 1.00 0.00 ATOM 380 C THR 56 7.569 10.641 -14.501 1.00 0.00 ATOM 381 N ASP 57 7.257 9.851 -13.470 1.00 0.00 ATOM 382 CA ASP 57 6.953 8.426 -13.649 1.00 0.00 ATOM 383 CB ASP 57 7.811 7.573 -12.712 1.00 0.00 ATOM 384 CG ASP 57 9.291 7.672 -13.029 1.00 0.00 ATOM 385 OD1 ASP 57 9.661 7.477 -14.205 1.00 0.00 ATOM 386 OD2 ASP 57 10.080 7.943 -12.099 1.00 0.00 ATOM 387 O ASP 57 4.940 8.623 -12.368 1.00 0.00 ATOM 388 C ASP 57 5.479 8.111 -13.345 1.00 0.00 ATOM 389 N SER 58 4.836 7.250 -14.161 1.00 0.00 ATOM 390 CA SER 58 3.477 6.841 -13.837 1.00 0.00 ATOM 391 CB SER 58 2.906 5.948 -14.942 1.00 0.00 ATOM 392 OG SER 58 1.611 5.483 -14.604 1.00 0.00 ATOM 393 O SER 58 4.372 5.274 -12.271 1.00 0.00 ATOM 394 C SER 58 3.473 6.063 -12.525 1.00 0.00 ATOM 395 N ASN 59 2.490 6.336 -11.681 1.00 0.00 ATOM 396 CA ASN 59 2.296 5.605 -10.449 1.00 0.00 ATOM 397 CB ASN 59 2.834 6.405 -9.260 1.00 0.00 ATOM 398 CG ASN 59 4.335 6.602 -9.323 1.00 0.00 ATOM 399 ND2 ASN 59 4.760 7.841 -9.544 1.00 0.00 ATOM 400 OD1 ASN 59 5.103 5.651 -9.174 1.00 0.00 ATOM 401 O ASN 59 0.018 5.988 -11.008 1.00 0.00 ATOM 402 C ASN 59 0.818 5.383 -10.299 1.00 0.00 ATOM 403 N VAL 60 0.469 4.496 -9.383 1.00 0.00 ATOM 404 CA VAL 60 -0.906 4.226 -8.998 1.00 0.00 ATOM 405 CB VAL 60 -1.243 2.729 -9.124 1.00 0.00 ATOM 406 CG1 VAL 60 -2.665 2.461 -8.655 1.00 0.00 ATOM 407 CG2 VAL 60 -1.121 2.275 -10.570 1.00 0.00 ATOM 408 O VAL 60 -0.227 4.368 -6.725 1.00 0.00 ATOM 409 C VAL 60 -1.081 4.659 -7.551 1.00 0.00 ATOM 410 N LYS 61 -2.176 5.339 -7.259 1.00 0.00 ATOM 411 CA LYS 61 -2.497 5.740 -5.923 1.00 0.00 ATOM 412 CB LYS 61 -2.732 7.250 -5.858 1.00 0.00 ATOM 413 CG LYS 61 -3.036 7.773 -4.463 1.00 0.00 ATOM 414 CD LYS 61 -3.372 9.255 -4.488 1.00 0.00 ATOM 415 CE LYS 61 -2.129 10.099 -4.724 1.00 0.00 ATOM 416 NZ LYS 61 -2.433 11.555 -4.688 1.00 0.00 ATOM 417 O LYS 61 -4.797 5.135 -6.157 1.00 0.00 ATOM 418 C LYS 61 -3.756 5.006 -5.506 1.00 0.00 ATOM 419 N PHE 62 -3.653 4.256 -4.418 1.00 0.00 ATOM 420 CA PHE 62 -4.767 3.548 -3.827 1.00 0.00 ATOM 421 CB PHE 62 -4.339 2.146 -3.389 1.00 0.00 ATOM 422 CG PHE 62 -3.994 1.233 -4.530 1.00 0.00 ATOM 423 CD1 PHE 62 -2.689 1.123 -4.979 1.00 0.00 ATOM 424 CD2 PHE 62 -4.974 0.484 -5.158 1.00 0.00 ATOM 425 CE1 PHE 62 -2.372 0.284 -6.029 1.00 0.00 ATOM 426 CE2 PHE 62 -4.657 -0.356 -6.208 1.00 0.00 ATOM 427 CZ PHE 62 -3.362 -0.458 -6.644 1.00 0.00 ATOM 428 O PHE 62 -4.386 4.795 -1.844 1.00 0.00 ATOM 429 C PHE 62 -5.209 4.363 -2.635 1.00 0.00 ATOM 430 N GLU 63 -6.503 4.618 -2.534 1.00 0.00 ATOM 431 CA GLU 63 -7.085 5.204 -1.344 1.00 0.00 ATOM 432 CB GLU 63 -7.863 6.473 -1.697 1.00 0.00 ATOM 433 CG GLU 63 -6.993 7.618 -2.189 1.00 0.00 ATOM 434 CD GLU 63 -7.785 8.886 -2.443 1.00 0.00 ATOM 435 OE1 GLU 63 -9.009 8.881 -2.193 1.00 0.00 ATOM 436 OE2 GLU 63 -7.182 9.883 -2.891 1.00 0.00 ATOM 437 O GLU 63 -8.868 3.592 -1.504 1.00 0.00 ATOM 438 C GLU 63 -8.014 4.116 -0.788 1.00 0.00 ATOM 439 N VAL 64 -7.810 3.734 0.467 1.00 0.00 ATOM 440 CA VAL 64 -8.689 2.772 1.114 1.00 0.00 ATOM 441 CB VAL 64 -8.029 1.385 1.215 1.00 0.00 ATOM 442 CG1 VAL 64 -8.964 0.398 1.898 1.00 0.00 ATOM 443 CG2 VAL 64 -7.697 0.851 -0.170 1.00 0.00 ATOM 444 O VAL 64 -8.152 3.523 3.353 1.00 0.00 ATOM 445 C VAL 64 -9.034 3.237 2.534 1.00 0.00 ATOM 446 N LEU 65 -10.326 3.369 2.787 1.00 0.00 ATOM 447 CA LEU 65 -10.821 3.681 4.117 1.00 0.00 ATOM 448 CB LEU 65 -12.197 4.343 4.033 1.00 0.00 ATOM 449 CG LEU 65 -12.255 5.705 3.335 1.00 0.00 ATOM 450 CD1 LEU 65 -13.691 6.187 3.215 1.00 0.00 ATOM 451 CD2 LEU 65 -11.467 6.743 4.118 1.00 0.00 ATOM 452 O LEU 65 -11.441 1.372 4.411 1.00 0.00 ATOM 453 C LEU 65 -10.928 2.374 4.910 1.00 0.00 ATOM 454 N THR 66 -10.443 2.402 6.140 1.00 0.00 ATOM 455 CA THR 66 -10.406 1.231 7.009 1.00 0.00 ATOM 456 CB THR 66 -9.023 0.553 6.984 1.00 0.00 ATOM 457 CG2 THR 66 -8.629 0.201 5.558 1.00 0.00 ATOM 458 OG1 THR 66 -8.042 1.441 7.532 1.00 0.00 ATOM 459 O THR 66 -10.727 2.838 8.783 1.00 0.00 ATOM 460 C THR 66 -10.711 1.646 8.453 1.00 0.00 ATOM 461 N ASN 68 -10.950 0.657 9.311 1.00 0.00 ATOM 462 CA ASN 68 -11.032 0.902 10.752 1.00 0.00 ATOM 463 CB ASN 68 -11.802 -0.225 11.443 1.00 0.00 ATOM 464 CG ASN 68 -12.246 0.148 12.843 1.00 0.00 ATOM 465 ND2 ASN 68 -12.379 -0.853 13.707 1.00 0.00 ATOM 466 OD1 ASN 68 -12.468 1.320 13.144 1.00 0.00 ATOM 467 O ASN 68 -8.700 0.356 10.809 1.00 0.00 ATOM 468 C ASN 68 -9.630 0.970 11.335 1.00 0.00 ATOM 469 N ARG 69 -9.487 1.705 12.432 1.00 0.00 ATOM 470 CA ARG 69 -8.214 1.865 13.130 1.00 0.00 ATOM 471 CB ARG 69 -8.407 2.668 14.419 1.00 0.00 ATOM 472 CG ARG 69 -8.708 4.140 14.194 1.00 0.00 ATOM 473 CD ARG 69 -8.971 4.857 15.507 1.00 0.00 ATOM 474 NE ARG 69 -9.285 6.269 15.308 1.00 0.00 ATOM 475 CZ ARG 69 -9.662 7.096 16.277 1.00 0.00 ATOM 476 NH1 ARG 69 -9.928 8.367 16.001 1.00 0.00 ATOM 477 NH2 ARG 69 -9.771 6.653 17.522 1.00 0.00 ATOM 478 O ARG 69 -6.344 0.401 13.541 1.00 0.00 ATOM 479 C ARG 69 -7.577 0.518 13.522 1.00 0.00 ATOM 480 N GLU 70 -8.408 -0.489 13.799 1.00 0.00 ATOM 481 CA GLU 70 -7.929 -1.820 14.215 1.00 0.00 ATOM 482 CB GLU 70 -9.095 -2.675 14.717 1.00 0.00 ATOM 483 CG GLU 70 -9.678 -2.213 16.042 1.00 0.00 ATOM 484 CD GLU 70 -10.875 -3.039 16.471 1.00 0.00 ATOM 485 OE1 GLU 70 -11.273 -3.948 15.712 1.00 0.00 ATOM 486 OE2 GLU 70 -11.416 -2.777 17.565 1.00 0.00 ATOM 487 O GLU 70 -6.577 -3.602 13.351 1.00 0.00 ATOM 488 C GLU 70 -7.257 -2.603 13.090 1.00 0.00 ATOM 489 N MET 71 -7.456 -2.163 11.844 1.00 0.00 ATOM 490 CA MET 71 -6.881 -2.831 10.681 1.00 0.00 ATOM 491 CB MET 71 -7.852 -2.780 9.499 1.00 0.00 ATOM 492 CG MET 71 -9.159 -3.518 9.738 1.00 0.00 ATOM 493 SD MET 71 -8.916 -5.279 10.046 1.00 0.00 ATOM 494 CE MET 71 -8.347 -5.828 8.439 1.00 0.00 ATOM 495 O MET 71 -4.848 -2.761 9.394 1.00 0.00 ATOM 496 C MET 71 -5.574 -2.190 10.223 1.00 0.00 ATOM 497 N ALA 72 -5.263 -1.022 10.773 1.00 0.00 ATOM 498 CA ALA 72 -4.189 -0.164 10.241 1.00 0.00 ATOM 499 CB ALA 72 -4.023 1.076 11.106 1.00 0.00 ATOM 500 O ALA 72 -2.185 -0.885 9.119 1.00 0.00 ATOM 501 C ALA 72 -2.820 -0.832 10.179 1.00 0.00 ATOM 502 N GLU 73 -2.381 -1.386 11.305 1.00 0.00 ATOM 503 CA GLU 73 -1.050 -1.976 11.370 1.00 0.00 ATOM 504 CB GLU 73 -0.766 -2.504 12.778 1.00 0.00 ATOM 505 CG GLU 73 -0.570 -1.417 13.821 1.00 0.00 ATOM 506 CD GLU 73 -0.414 -1.975 15.222 1.00 0.00 ATOM 507 OE1 GLU 73 -0.534 -3.208 15.387 1.00 0.00 ATOM 508 OE2 GLU 73 -0.173 -1.180 16.154 1.00 0.00 ATOM 509 O GLU 73 0.148 -3.247 9.745 1.00 0.00 ATOM 510 C GLU 73 -0.878 -3.134 10.412 1.00 0.00 ATOM 511 N LYS 74 -1.899 -3.984 10.346 1.00 0.00 ATOM 512 CA LYS 74 -1.922 -5.112 9.429 1.00 0.00 ATOM 513 CB LYS 74 -3.165 -5.972 9.668 1.00 0.00 ATOM 514 CG LYS 74 -3.139 -6.749 10.974 1.00 0.00 ATOM 515 CD LYS 74 -4.400 -7.582 11.146 1.00 0.00 ATOM 516 CE LYS 74 -4.385 -8.340 12.463 1.00 0.00 ATOM 517 NZ LYS 74 -5.629 -9.134 12.661 1.00 0.00 ATOM 518 O LYS 74 -1.273 -5.254 7.128 1.00 0.00 ATOM 519 C LYS 74 -1.945 -4.660 7.968 1.00 0.00 ATOM 520 N ILE 75 -2.735 -3.626 7.670 1.00 0.00 ATOM 521 CA ILE 75 -2.821 -3.075 6.312 1.00 0.00 ATOM 522 CB ILE 75 -3.791 -1.882 6.247 1.00 0.00 ATOM 523 CG1 ILE 75 -5.228 -2.349 6.489 1.00 0.00 ATOM 524 CG2 ILE 75 -3.724 -1.215 4.882 1.00 0.00 ATOM 525 CD1 ILE 75 -6.208 -1.218 6.711 1.00 0.00 ATOM 526 O ILE 75 -0.939 -3.028 4.845 1.00 0.00 ATOM 527 C ILE 75 -1.441 -2.610 5.890 1.00 0.00 ATOM 528 N ALA 76 -0.819 -1.792 6.740 1.00 0.00 ATOM 529 CA ALA 76 0.517 -1.264 6.490 1.00 0.00 ATOM 530 CB ALA 76 1.027 -0.512 7.710 1.00 0.00 ATOM 531 O ALA 76 2.196 -2.367 5.161 1.00 0.00 ATOM 532 C ALA 76 1.493 -2.399 6.178 1.00 0.00 ATOM 533 N ASP 77 1.497 -3.421 7.029 1.00 0.00 ATOM 534 CA ASP 77 2.388 -4.564 6.842 1.00 0.00 ATOM 535 CB ASP 77 2.249 -5.549 8.005 1.00 0.00 ATOM 536 CG ASP 77 2.870 -5.027 9.286 1.00 0.00 ATOM 537 OD1 ASP 77 3.610 -4.024 9.223 1.00 0.00 ATOM 538 OD2 ASP 77 2.615 -5.623 10.354 1.00 0.00 ATOM 539 O ASP 77 3.025 -5.607 4.789 1.00 0.00 ATOM 540 C ASP 77 2.104 -5.339 5.566 1.00 0.00 ATOM 541 N GLN 78 0.838 -5.679 5.340 1.00 0.00 ATOM 542 CA GLN 78 0.429 -6.453 4.158 1.00 0.00 ATOM 543 CB GLN 78 -1.060 -6.796 4.231 1.00 0.00 ATOM 544 CG GLN 78 -1.409 -7.824 5.294 1.00 0.00 ATOM 545 CD GLN 78 -2.902 -8.054 5.415 1.00 0.00 ATOM 546 OE1 GLN 78 -3.699 -7.378 4.764 1.00 0.00 ATOM 547 NE2 GLN 78 -3.287 -9.012 6.251 1.00 0.00 ATOM 548 O GLN 78 1.047 -6.246 1.829 1.00 0.00 ATOM 549 C GLN 78 0.664 -5.680 2.860 1.00 0.00 ATOM 550 N VAL 79 0.424 -4.376 2.897 1.00 0.00 ATOM 551 CA VAL 79 0.638 -3.562 1.699 1.00 0.00 ATOM 552 CB VAL 79 0.029 -2.156 1.854 1.00 0.00 ATOM 553 CG1 VAL 79 0.426 -1.271 0.684 1.00 0.00 ATOM 554 CG2 VAL 79 -1.489 -2.237 1.905 1.00 0.00 ATOM 555 O VAL 79 2.588 -3.543 0.284 1.00 0.00 ATOM 556 C VAL 79 2.139 -3.396 1.421 1.00 0.00 ATOM 557 N ALA 80 2.917 -3.109 2.460 1.00 0.00 ATOM 558 CA ALA 80 4.367 -2.944 2.312 1.00 0.00 ATOM 559 CB ALA 80 5.020 -2.748 3.671 1.00 0.00 ATOM 560 O ALA 80 5.821 -4.008 0.727 1.00 0.00 ATOM 561 C ALA 80 5.027 -4.159 1.653 1.00 0.00 ATOM 562 N ILE 81 4.700 -5.351 2.142 1.00 0.00 ATOM 563 CA ILE 81 5.208 -6.603 1.571 1.00 0.00 ATOM 564 CB ILE 81 4.644 -7.830 2.311 1.00 0.00 ATOM 565 CG1 ILE 81 5.192 -7.890 3.738 1.00 0.00 ATOM 566 CG2 ILE 81 5.035 -9.112 1.590 1.00 0.00 ATOM 567 CD1 ILE 81 4.489 -8.900 4.619 1.00 0.00 ATOM 568 O ILE 81 5.674 -7.038 -0.749 1.00 0.00 ATOM 569 C ILE 81 4.827 -6.743 0.103 1.00 0.00 ATOM 570 N LYS 82 3.539 -6.543 -0.179 1.00 0.00 ATOM 571 CA LYS 82 2.992 -6.748 -1.525 1.00 0.00 ATOM 572 CB LYS 82 1.468 -6.616 -1.509 1.00 0.00 ATOM 573 CG LYS 82 0.757 -7.727 -0.752 1.00 0.00 ATOM 574 CD LYS 82 0.937 -9.069 -1.444 1.00 0.00 ATOM 575 CE LYS 82 0.196 -10.173 -0.708 1.00 0.00 ATOM 576 NZ LYS 82 0.339 -11.489 -1.389 1.00 0.00 ATOM 577 O LYS 82 3.655 -6.108 -3.717 1.00 0.00 ATOM 578 C LYS 82 3.505 -5.754 -2.549 1.00 0.00 ATOM 579 N PHE 83 3.771 -4.518 -2.115 1.00 0.00 ATOM 580 CA PHE 83 4.250 -3.447 -3.011 1.00 0.00 ATOM 581 CB PHE 83 3.845 -2.074 -2.470 1.00 0.00 ATOM 582 CG PHE 83 2.359 -1.858 -2.414 1.00 0.00 ATOM 583 CD1 PHE 83 1.508 -2.594 -3.220 1.00 0.00 ATOM 584 CD2 PHE 83 1.813 -0.919 -1.557 1.00 0.00 ATOM 585 CE1 PHE 83 0.142 -2.395 -3.170 1.00 0.00 ATOM 586 CE2 PHE 83 0.447 -0.721 -1.506 1.00 0.00 ATOM 587 CZ PHE 83 -0.388 -1.453 -2.307 1.00 0.00 ATOM 588 O PHE 83 6.321 -2.755 -4.028 1.00 0.00 ATOM 589 C PHE 83 5.772 -3.445 -3.165 1.00 0.00 ATOM 590 N PHE 84 6.455 -4.208 -2.314 1.00 0.00 ATOM 591 CA PHE 84 7.906 -4.156 -2.234 1.00 0.00 ATOM 592 CB PHE 84 8.403 -4.919 -1.006 1.00 0.00 ATOM 593 CG PHE 84 9.893 -4.865 -0.820 1.00 0.00 ATOM 594 CD1 PHE 84 10.500 -3.730 -0.311 1.00 0.00 ATOM 595 CD2 PHE 84 10.687 -5.948 -1.153 1.00 0.00 ATOM 596 CE1 PHE 84 11.871 -3.681 -0.140 1.00 0.00 ATOM 597 CE2 PHE 84 12.057 -5.900 -0.983 1.00 0.00 ATOM 598 CZ PHE 84 12.649 -4.771 -0.479 1.00 0.00 ATOM 599 O PHE 84 8.156 -5.843 -3.910 1.00 0.00 ATOM 600 C PHE 84 8.565 -4.773 -3.459 1.00 0.00 ATOM 601 N THR 85 9.566 -4.070 -3.991 1.00 0.00 ATOM 602 CA THR 85 10.537 -4.638 -4.943 1.00 0.00 ATOM 603 CB THR 85 10.386 -4.014 -6.342 1.00 0.00 ATOM 604 CG2 THR 85 8.980 -4.237 -6.879 1.00 0.00 ATOM 605 OG1 THR 85 10.635 -2.605 -6.269 1.00 0.00 ATOM 606 O THR 85 12.899 -5.084 -4.980 1.00 0.00 ATOM 607 C THR 85 11.995 -4.406 -4.503 1.00 0.00 ATOM 608 N ASP 86 12.225 -3.437 -3.617 1.00 0.00 ATOM 609 CA ASP 86 13.570 -3.128 -3.143 1.00 0.00 ATOM 610 CB ASP 86 14.439 -4.387 -3.142 1.00 0.00 ATOM 611 CG ASP 86 15.758 -4.184 -2.421 1.00 0.00 ATOM 612 OD1 ASP 86 15.989 -3.068 -1.909 1.00 0.00 ATOM 613 OD2 ASP 86 16.559 -5.140 -2.369 1.00 0.00 ATOM 614 O ASP 86 15.315 -1.558 -3.545 1.00 0.00 ATOM 615 C ASP 86 14.297 -2.096 -3.987 1.00 0.00 ATOM 616 N TYR 87 13.794 -1.824 -5.195 1.00 0.00 ATOM 617 CA TYR 87 14.371 -0.802 -6.069 1.00 0.00 ATOM 618 CB TYR 87 14.110 -1.145 -7.537 1.00 0.00 ATOM 619 CG TYR 87 14.796 -2.409 -8.003 1.00 0.00 ATOM 620 CD1 TYR 87 14.113 -3.620 -8.033 1.00 0.00 ATOM 621 CD2 TYR 87 16.123 -2.390 -8.411 1.00 0.00 ATOM 622 CE1 TYR 87 14.732 -4.780 -8.456 1.00 0.00 ATOM 623 CE2 TYR 87 16.758 -3.541 -8.837 1.00 0.00 ATOM 624 CZ TYR 87 16.049 -4.742 -8.857 1.00 0.00 ATOM 625 OH TYR 87 16.668 -5.896 -9.280 1.00 0.00 ATOM 626 O TYR 87 12.601 0.655 -5.317 1.00 0.00 ATOM 627 C TYR 87 13.752 0.564 -5.773 1.00 0.00 ATOM 628 N ALA 88 9.532 2.430 -5.126 1.00 0.00 ATOM 629 CA ALA 88 8.454 1.581 -4.594 1.00 0.00 ATOM 630 CB ALA 88 8.993 0.651 -3.518 1.00 0.00 ATOM 631 O ALA 88 6.164 1.896 -3.974 1.00 0.00 ATOM 632 C ALA 88 7.296 2.354 -3.958 1.00 0.00 ATOM 633 N GLY 89 7.597 3.507 -3.381 1.00 0.00 ATOM 634 CA GLY 89 6.571 4.455 -2.985 1.00 0.00 ATOM 635 O GLY 89 7.147 4.134 -0.675 1.00 0.00 ATOM 636 C GLY 89 6.327 4.558 -1.503 1.00 0.00 ATOM 637 N ILE 90 5.161 5.111 -1.177 1.00 0.00 ATOM 638 CA ILE 90 4.889 5.592 0.147 1.00 0.00 ATOM 639 CB ILE 90 4.893 7.131 0.198 1.00 0.00 ATOM 640 CG1 ILE 90 6.279 7.674 -0.160 1.00 0.00 ATOM 641 CG2 ILE 90 4.531 7.619 1.593 1.00 0.00 ATOM 642 CD1 ILE 90 6.309 9.169 -0.388 1.00 0.00 ATOM 643 O ILE 90 2.631 4.887 -0.196 1.00 0.00 ATOM 644 C ILE 90 3.542 5.119 0.614 1.00 0.00 ATOM 645 N ILE 91 3.413 5.014 1.926 1.00 0.00 ATOM 646 CA ILE 91 2.093 4.919 2.571 1.00 0.00 ATOM 647 CB ILE 91 2.010 3.699 3.507 1.00 0.00 ATOM 648 CG1 ILE 91 2.216 2.405 2.717 1.00 0.00 ATOM 649 CG2 ILE 91 0.649 3.638 4.183 1.00 0.00 ATOM 650 CD1 ILE 91 2.379 1.178 3.587 1.00 0.00 ATOM 651 O ILE 91 2.758 6.629 4.102 1.00 0.00 ATOM 652 C ILE 91 1.860 6.184 3.386 1.00 0.00 ATOM 653 N TYR 92 0.679 6.783 3.228 1.00 0.00 ATOM 654 CA TYR 92 0.219 7.904 4.048 1.00 0.00 ATOM 655 CB TYR 92 -0.115 9.110 3.167 1.00 0.00 ATOM 656 CG TYR 92 1.078 9.687 2.440 1.00 0.00 ATOM 657 CD1 TYR 92 1.412 9.251 1.165 1.00 0.00 ATOM 658 CD2 TYR 92 1.864 10.666 3.031 1.00 0.00 ATOM 659 CE1 TYR 92 2.502 9.772 0.492 1.00 0.00 ATOM 660 CE2 TYR 92 2.958 11.200 2.373 1.00 0.00 ATOM 661 CZ TYR 92 3.272 10.744 1.095 1.00 0.00 ATOM 662 OH TYR 92 4.356 11.266 0.427 1.00 0.00 ATOM 663 O TYR 92 -1.872 6.741 4.301 1.00 0.00 ATOM 664 C TYR 92 -1.036 7.482 4.817 1.00 0.00 ATOM 665 N ILE 93 -1.165 7.964 6.048 1.00 0.00 ATOM 666 CA ILE 93 -2.329 7.677 6.858 1.00 0.00 ATOM 667 CB ILE 93 -1.989 6.725 8.019 1.00 0.00 ATOM 668 CG1 ILE 93 -1.467 5.391 7.479 1.00 0.00 ATOM 669 CG2 ILE 93 -3.223 6.452 8.865 1.00 0.00 ATOM 670 CD1 ILE 93 -0.914 4.474 8.549 1.00 0.00 ATOM 671 O ILE 93 -2.104 9.776 7.957 1.00 0.00 ATOM 672 C ILE 93 -2.862 8.972 7.433 1.00 0.00 ATOM 673 N CYS 94 -4.171 9.160 7.309 1.00 0.00 ATOM 674 CA CYS 94 -4.856 10.321 7.837 1.00 0.00 ATOM 675 CB CYS 94 -5.215 11.290 6.710 1.00 0.00 ATOM 676 SG CYS 94 -3.792 11.954 5.813 1.00 0.00 ATOM 677 O CYS 94 -6.605 8.757 8.243 1.00 0.00 ATOM 678 C CYS 94 -6.122 9.849 8.528 1.00 0.00 ATOM 679 N GLU 95 -6.647 10.670 9.429 1.00 0.00 ATOM 680 CA GLU 95 -7.926 10.385 10.087 1.00 0.00 ATOM 681 CB GLU 95 -8.073 11.225 11.358 1.00 0.00 ATOM 682 CG GLU 95 -7.057 10.896 12.440 1.00 0.00 ATOM 683 CD GLU 95 -7.254 11.722 13.695 1.00 0.00 ATOM 684 OE1 GLU 95 -8.162 12.582 13.704 1.00 0.00 ATOM 685 OE2 GLU 95 -6.501 11.512 14.669 1.00 0.00 ATOM 686 O GLU 95 -9.063 11.696 8.459 1.00 0.00 ATOM 687 C GLU 95 -9.096 10.702 9.178 1.00 0.00 ATOM 688 N ALA 96 -10.131 9.867 9.223 1.00 0.00 ATOM 689 CA ALA 96 -11.412 10.199 8.613 1.00 0.00 ATOM 690 CB ALA 96 -11.913 9.036 7.771 1.00 0.00 ATOM 691 O ALA 96 -12.571 9.649 10.607 1.00 0.00 ATOM 692 C ALA 96 -12.384 10.485 9.729 1.00 0.00 ATOM 693 N GLU 97 -12.994 11.661 9.692 1.00 0.00 ATOM 694 CA GLU 97 -13.995 12.030 10.681 1.00 0.00 ATOM 695 CB GLU 97 -14.277 13.532 10.624 1.00 0.00 ATOM 696 CG GLU 97 -13.072 14.404 10.939 1.00 0.00 ATOM 697 CD GLU 97 -13.353 15.880 10.737 1.00 0.00 ATOM 698 OE1 GLU 97 -14.481 16.220 10.327 1.00 0.00 ATOM 699 OE2 GLU 97 -12.442 16.697 10.991 1.00 0.00 ATOM 700 O GLU 97 -15.966 10.901 11.379 1.00 0.00 ATOM 701 C GLU 97 -15.291 11.294 10.433 1.00 0.00 ATOM 702 N VAL 98 -17.318 8.472 7.422 1.00 0.00 ATOM 703 CA VAL 98 -17.398 7.638 6.241 1.00 0.00 ATOM 704 CB VAL 98 -16.497 6.395 6.365 1.00 0.00 ATOM 705 CG1 VAL 98 -16.672 5.488 5.157 1.00 0.00 ATOM 706 CG2 VAL 98 -15.035 6.803 6.451 1.00 0.00 ATOM 707 O VAL 98 -19.401 6.638 7.065 1.00 0.00 ATOM 708 C VAL 98 -18.857 7.226 6.123 1.00 0.00 ATOM 709 N LEU 99 -19.500 7.572 5.009 1.00 0.00 ATOM 710 CA LEU 99 -20.919 7.259 4.802 1.00 0.00 ATOM 711 CB LEU 99 -21.745 8.543 4.720 1.00 0.00 ATOM 712 CG LEU 99 -21.713 9.451 5.953 1.00 0.00 ATOM 713 CD1 LEU 99 -22.466 10.745 5.687 1.00 0.00 ATOM 714 CD2 LEU 99 -22.358 8.760 7.145 1.00 0.00 ATOM 715 O LEU 99 -20.521 6.804 2.494 1.00 0.00 ATOM 716 C LEU 99 -21.126 6.482 3.513 1.00 0.00 ATOM 717 N TYR 100 -21.978 5.458 3.566 1.00 0.00 ATOM 718 CA TYR 100 -22.405 4.728 2.380 1.00 0.00 ATOM 719 CB TYR 100 -22.714 3.271 2.729 1.00 0.00 ATOM 720 CG TYR 100 -21.492 2.457 3.091 1.00 0.00 ATOM 721 CD1 TYR 100 -21.081 2.340 4.413 1.00 0.00 ATOM 722 CD2 TYR 100 -20.753 1.807 2.110 1.00 0.00 ATOM 723 CE1 TYR 100 -19.966 1.598 4.752 1.00 0.00 ATOM 724 CE2 TYR 100 -19.635 1.061 2.432 1.00 0.00 ATOM 725 CZ TYR 100 -19.245 0.960 3.767 1.00 0.00 ATOM 726 OH TYR 100 -18.135 0.221 4.102 1.00 0.00 ATOM 727 O TYR 100 -24.672 5.424 2.551 1.00 0.00 ATOM 728 C TYR 100 -23.651 5.428 1.874 1.00 0.00 ATOM 729 N GLY 101 -23.559 6.043 0.694 1.00 0.00 ATOM 730 CA GLY 101 -24.620 6.909 0.168 1.00 0.00 ATOM 731 O GLY 101 -27.021 6.725 0.384 1.00 0.00 ATOM 732 C GLY 101 -25.966 6.178 0.061 1.00 0.00 ATOM 733 N ARG 102 -25.897 4.943 -0.423 1.00 0.00 ATOM 734 CA ARG 102 -27.061 4.110 -0.707 1.00 0.00 ATOM 735 CB ARG 102 -26.625 2.755 -1.267 1.00 0.00 ATOM 736 CG ARG 102 -26.058 2.817 -2.675 1.00 0.00 ATOM 737 CD ARG 102 -25.605 1.445 -3.149 1.00 0.00 ATOM 738 NE ARG 102 -25.011 1.497 -4.483 1.00 0.00 ATOM 739 CZ ARG 102 -24.485 0.448 -5.106 1.00 0.00 ATOM 740 NH1 ARG 102 -23.967 0.589 -6.319 1.00 0.00 ATOM 741 NH2 ARG 102 -24.477 -0.740 -4.516 1.00 0.00 ATOM 742 O ARG 102 -29.139 3.948 0.475 1.00 0.00 ATOM 743 C ARG 102 -27.918 3.831 0.528 1.00 0.00 ATOM 744 N THR 103 -27.261 3.464 1.627 1.00 0.00 ATOM 745 CA THR 103 -27.933 3.015 2.858 1.00 0.00 ATOM 746 CB THR 103 -27.317 1.708 3.392 1.00 0.00 ATOM 747 CG2 THR 103 -27.424 0.605 2.349 1.00 0.00 ATOM 748 OG1 THR 103 -25.935 1.920 3.704 1.00 0.00 ATOM 749 O THR 103 -28.624 3.856 4.979 1.00 0.00 ATOM 750 C THR 103 -27.870 3.999 4.021 1.00 0.00 ATOM 751 N PHE 104 -26.945 4.955 3.969 1.00 0.00 ATOM 752 CA PHE 104 -26.706 5.861 5.084 1.00 0.00 ATOM 753 CB PHE 104 -28.032 6.336 5.682 1.00 0.00 ATOM 754 CG PHE 104 -28.907 7.071 4.709 1.00 0.00 ATOM 755 CD1 PHE 104 -30.071 6.495 4.229 1.00 0.00 ATOM 756 CD2 PHE 104 -28.567 8.340 4.273 1.00 0.00 ATOM 757 CE1 PHE 104 -30.876 7.171 3.333 1.00 0.00 ATOM 758 CE2 PHE 104 -29.373 9.017 3.376 1.00 0.00 ATOM 759 CZ PHE 104 -30.524 8.439 2.907 1.00 0.00 ATOM 760 O PHE 104 -25.685 5.907 7.239 1.00 0.00 ATOM 761 C PHE 104 -25.909 5.253 6.236 1.00 0.00 ATOM 762 N CYS 105 -25.449 4.019 6.089 1.00 0.00 ATOM 763 CA CYS 105 -24.614 3.420 7.118 1.00 0.00 ATOM 764 CB CYS 105 -24.211 1.999 6.723 1.00 0.00 ATOM 765 SG CYS 105 -25.589 0.833 6.619 1.00 0.00 ATOM 766 O CYS 105 -22.915 4.912 6.331 1.00 0.00 ATOM 767 C CYS 105 -23.365 4.266 7.288 1.00 0.00 ATOM 768 N GLY 106 -22.811 4.246 8.494 1.00 0.00 ATOM 769 CA GLY 106 -21.639 5.033 8.834 1.00 0.00 ATOM 770 O GLY 106 -20.669 2.992 9.727 1.00 0.00 ATOM 771 C GLY 106 -20.476 4.148 9.323 1.00 0.00 ATOM 772 N PRO 107 -19.264 4.702 9.240 1.00 0.00 ATOM 773 CA PRO 107 -18.060 4.076 9.770 1.00 0.00 ATOM 774 CB PRO 107 -18.245 4.144 11.288 1.00 0.00 ATOM 775 CG PRO 107 -19.725 4.161 11.483 1.00 0.00 ATOM 776 CD PRO 107 -20.291 4.933 10.324 1.00 0.00 ATOM 777 O PRO 107 -18.036 2.375 8.108 1.00 0.00 ATOM 778 C PRO 107 -17.909 2.638 9.304 1.00 0.00 ATOM 779 N ASP 108 -17.644 1.705 10.221 1.00 0.00 ATOM 780 CA ASP 108 -17.325 0.336 9.831 1.00 0.00 ATOM 781 CB ASP 108 -17.168 -0.552 11.067 1.00 0.00 ATOM 782 CG ASP 108 -15.885 -0.271 11.826 1.00 0.00 ATOM 783 OD1 ASP 108 -15.012 0.432 11.276 1.00 0.00 ATOM 784 OD2 ASP 108 -15.754 -0.755 12.969 1.00 0.00 ATOM 785 O ASP 108 -18.166 -0.983 8.004 1.00 0.00 ATOM 786 C ASP 108 -18.432 -0.247 8.960 1.00 0.00 ATOM 787 N GLY 109 -19.673 0.121 9.269 1.00 0.00 ATOM 788 CA GLY 109 -20.834 -0.358 8.520 1.00 0.00 ATOM 789 O GLY 109 -21.740 -0.266 6.329 1.00 0.00 ATOM 790 C GLY 109 -20.953 0.232 7.116 1.00 0.00 TER END