PFRMAT TS TARGET T0429 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 T0429 model 2 Tue Jun 3 15:53:20 2008 MODEL 2 PARENT N/A ATOM 2 N TYR 33 3.993 9.024 9.006 1.00 0.00 ATOM 3 CA TYR 33 2.990 8.266 8.325 1.00 0.00 ATOM 4 CB TYR 33 2.394 9.078 7.173 1.00 0.00 ATOM 5 CG TYR 33 1.545 10.247 7.623 1.00 0.00 ATOM 6 CD1 TYR 33 2.052 11.540 7.610 1.00 0.00 ATOM 7 CD2 TYR 33 0.241 10.052 8.057 1.00 0.00 ATOM 8 CE1 TYR 33 1.284 12.613 8.019 1.00 0.00 ATOM 9 CE2 TYR 33 -0.542 11.114 8.469 1.00 0.00 ATOM 10 CZ TYR 33 -0.008 12.402 8.448 1.00 0.00 ATOM 11 OH TYR 33 -0.775 13.469 8.855 1.00 0.00 ATOM 12 O TYR 33 4.513 7.064 6.953 1.00 0.00 ATOM 13 C TYR 33 3.599 7.022 7.777 1.00 0.00 ATOM 14 N VAL 34 3.146 5.840 8.230 1.00 0.00 ATOM 15 CA VAL 34 3.613 4.589 7.715 1.00 0.00 ATOM 16 CB VAL 34 4.177 3.694 8.834 1.00 0.00 ATOM 17 CG1 VAL 34 5.364 4.367 9.507 1.00 0.00 ATOM 18 CG2 VAL 34 3.116 3.425 9.887 1.00 0.00 ATOM 19 O VAL 34 1.340 4.239 7.104 1.00 0.00 ATOM 20 C VAL 34 2.505 3.846 7.052 1.00 0.00 ATOM 21 N ASP 35 2.800 2.742 6.342 1.00 0.00 ATOM 22 CA ASP 35 1.800 1.792 5.964 1.00 0.00 ATOM 23 CB ASP 35 1.834 1.551 4.454 1.00 0.00 ATOM 24 CG ASP 35 1.410 2.771 3.659 1.00 0.00 ATOM 25 OD1 ASP 35 0.847 3.707 4.263 1.00 0.00 ATOM 26 OD2 ASP 35 1.641 2.790 2.432 1.00 0.00 ATOM 27 O ASP 35 3.270 0.266 7.073 1.00 0.00 ATOM 28 C ASP 35 2.128 0.544 6.709 1.00 0.00 ATOM 29 N ALA 36 1.095 -0.272 6.986 1.00 0.00 ATOM 30 CA ALA 36 1.325 -1.553 7.578 1.00 0.00 ATOM 31 CB ALA 36 0.867 -1.559 9.028 1.00 0.00 ATOM 32 O ALA 36 -0.455 -2.097 6.138 1.00 0.00 ATOM 33 C ALA 36 0.527 -2.507 6.756 1.00 0.00 ATOM 34 N ARG 37 0.887 -3.801 6.697 1.00 0.00 ATOM 35 CA ARG 37 0.074 -4.767 6.024 1.00 0.00 ATOM 36 CB ARG 37 0.722 -5.188 4.704 1.00 0.00 ATOM 37 CG ARG 37 -0.064 -6.234 3.930 1.00 0.00 ATOM 38 CD ARG 37 0.571 -6.515 2.578 1.00 0.00 ATOM 39 NE ARG 37 -0.149 -7.549 1.839 1.00 0.00 ATOM 40 CZ ARG 37 0.159 -7.939 0.607 1.00 0.00 ATOM 41 NH1 ARG 37 -0.553 -8.887 0.015 1.00 0.00 ATOM 42 NH2 ARG 37 1.178 -7.379 -0.030 1.00 0.00 ATOM 43 O ARG 37 0.826 -6.399 7.569 1.00 0.00 ATOM 44 C ARG 37 -0.098 -5.978 6.874 1.00 0.00 ATOM 45 N THR 39 -1.296 -6.589 6.856 1.00 0.00 ATOM 46 CA THR 39 -1.556 -7.767 7.623 1.00 0.00 ATOM 47 CB THR 39 -0.823 -7.732 8.977 1.00 0.00 ATOM 48 CG2 THR 39 -1.120 -8.992 9.777 1.00 0.00 ATOM 49 OG1 THR 39 0.590 -7.645 8.757 1.00 0.00 ATOM 50 O THR 39 -3.682 -6.908 8.190 1.00 0.00 ATOM 51 C THR 39 -3.015 -7.899 7.895 1.00 0.00 ATOM 52 N ASN 40 -3.569 -9.119 7.788 1.00 0.00 ATOM 53 CA ASN 40 -4.930 -9.467 8.058 1.00 0.00 ATOM 54 CB ASN 40 -5.392 -8.841 9.376 1.00 0.00 ATOM 55 CG ASN 40 -4.607 -9.349 10.570 1.00 0.00 ATOM 56 ND2 ASN 40 -4.011 -8.430 11.319 1.00 0.00 ATOM 57 OD1 ASN 40 -4.539 -10.554 10.811 1.00 0.00 ATOM 58 O ASN 40 -6.774 -9.804 6.607 1.00 0.00 ATOM 59 C ASN 40 -5.919 -9.030 7.032 1.00 0.00 ATOM 60 N MET 41 -5.832 -7.768 6.578 1.00 0.00 ATOM 61 CA MET 41 -6.674 -7.121 5.618 1.00 0.00 ATOM 62 CB MET 41 -6.211 -5.682 5.384 1.00 0.00 ATOM 63 CG MET 41 -7.086 -4.898 4.420 1.00 0.00 ATOM 64 SD MET 41 -8.770 -4.685 5.027 1.00 0.00 ATOM 65 CE MET 41 -8.540 -3.362 6.211 1.00 0.00 ATOM 66 O MET 41 -7.754 -8.127 3.766 1.00 0.00 ATOM 67 C MET 41 -6.692 -7.785 4.284 1.00 0.00 ATOM 68 N GLY 42 -5.514 -7.982 3.665 1.00 0.00 ATOM 69 CA GLY 42 -5.382 -8.408 2.307 1.00 0.00 ATOM 70 O GLY 42 -3.930 -7.791 0.517 1.00 0.00 ATOM 71 C GLY 42 -4.488 -7.474 1.567 1.00 0.00 ATOM 72 N ALA 43 -4.316 -6.260 2.119 1.00 0.00 ATOM 73 CA ALA 43 -3.467 -5.237 1.588 1.00 0.00 ATOM 74 CB ALA 43 -4.262 -4.302 0.689 1.00 0.00 ATOM 75 O ALA 43 -2.932 -4.860 3.869 1.00 0.00 ATOM 76 C ALA 43 -2.879 -4.453 2.710 1.00 0.00 ATOM 77 N TRP 44 -2.341 -3.262 2.391 1.00 0.00 ATOM 78 CA TRP 44 -1.850 -2.318 3.347 1.00 0.00 ATOM 79 CB TRP 44 -0.733 -1.470 2.736 1.00 0.00 ATOM 80 CG TRP 44 0.558 -2.209 2.566 1.00 0.00 ATOM 81 CD1 TRP 44 1.605 -2.241 3.441 1.00 0.00 ATOM 82 CD2 TRP 44 0.939 -3.025 1.452 1.00 0.00 ATOM 83 CE2 TRP 44 2.231 -3.520 1.721 1.00 0.00 ATOM 84 CE3 TRP 44 0.315 -3.386 0.253 1.00 0.00 ATOM 85 NE1 TRP 44 2.617 -3.026 2.942 1.00 0.00 ATOM 86 CZ2 TRP 44 2.909 -4.356 0.836 1.00 0.00 ATOM 87 CZ3 TRP 44 0.993 -4.215 -0.621 1.00 0.00 ATOM 88 CH2 TRP 44 2.274 -4.692 -0.329 1.00 0.00 ATOM 89 O TRP 44 -3.964 -1.258 3.130 1.00 0.00 ATOM 90 C TRP 44 -2.940 -1.405 3.794 1.00 0.00 ATOM 91 N PHE 45 -2.832 -0.844 5.012 1.00 0.00 ATOM 92 CA PHE 45 -3.681 0.200 5.495 1.00 0.00 ATOM 93 CB PHE 45 -4.562 -0.310 6.636 1.00 0.00 ATOM 94 CG PHE 45 -5.464 0.738 7.222 1.00 0.00 ATOM 95 CD1 PHE 45 -6.639 1.095 6.583 1.00 0.00 ATOM 96 CD2 PHE 45 -5.139 1.368 8.410 1.00 0.00 ATOM 97 CE1 PHE 45 -7.470 2.060 7.122 1.00 0.00 ATOM 98 CE2 PHE 45 -5.968 2.333 8.948 1.00 0.00 ATOM 99 CZ PHE 45 -7.130 2.680 8.310 1.00 0.00 ATOM 100 O PHE 45 -1.720 0.961 6.564 1.00 0.00 ATOM 101 C PHE 45 -2.750 1.262 5.965 1.00 0.00 ATOM 102 N GLU 46 -3.017 2.550 5.678 1.00 0.00 ATOM 103 CA GLU 46 -2.193 3.601 6.190 1.00 0.00 ATOM 104 CB GLU 46 -2.545 4.931 5.521 1.00 0.00 ATOM 105 CG GLU 46 -1.645 6.088 5.927 1.00 0.00 ATOM 106 CD GLU 46 -1.991 7.377 5.209 1.00 0.00 ATOM 107 OE1 GLU 46 -2.937 7.366 4.391 1.00 0.00 ATOM 108 OE2 GLU 46 -1.321 8.398 5.463 1.00 0.00 ATOM 109 O GLU 46 -3.491 3.770 8.178 1.00 0.00 ATOM 110 C GLU 46 -2.376 3.761 7.660 1.00 0.00 ATOM 111 N ALA 47 -1.252 3.828 8.395 1.00 0.00 ATOM 112 CA ALA 47 -1.213 3.681 9.817 1.00 0.00 ATOM 113 CB ALA 47 -0.898 2.241 10.192 1.00 0.00 ATOM 114 O ALA 47 0.897 4.768 9.806 1.00 0.00 ATOM 115 C ALA 47 -0.163 4.567 10.395 1.00 0.00 ATOM 116 N GLN 48 -0.418 5.218 11.545 1.00 0.00 ATOM 117 CA GLN 48 0.388 6.340 11.912 1.00 0.00 ATOM 118 CB GLN 48 -0.491 7.558 12.204 1.00 0.00 ATOM 119 CG GLN 48 0.289 8.829 12.501 1.00 0.00 ATOM 120 CD GLN 48 -0.612 10.030 12.709 1.00 0.00 ATOM 121 OE1 GLN 48 -1.837 9.915 12.657 1.00 0.00 ATOM 122 NE2 GLN 48 -0.007 11.188 12.948 1.00 0.00 ATOM 123 O GLN 48 0.684 5.548 14.142 1.00 0.00 ATOM 124 C GLN 48 1.187 6.036 13.131 1.00 0.00 ATOM 125 N VAL 49 2.507 6.270 13.010 1.00 0.00 ATOM 126 CA VAL 49 3.511 5.907 13.959 1.00 0.00 ATOM 127 CB VAL 49 4.924 6.209 13.428 1.00 0.00 ATOM 128 CG1 VAL 49 5.971 5.889 14.486 1.00 0.00 ATOM 129 CG2 VAL 49 5.219 5.375 12.192 1.00 0.00 ATOM 130 O VAL 49 3.457 7.837 15.376 1.00 0.00 ATOM 131 C VAL 49 3.415 6.612 15.269 1.00 0.00 ATOM 132 N VAL 50 3.293 5.812 16.343 1.00 0.00 ATOM 133 CA VAL 50 3.292 6.262 17.700 1.00 0.00 ATOM 134 CB VAL 50 2.161 5.605 18.513 1.00 0.00 ATOM 135 CG1 VAL 50 2.234 6.031 19.971 1.00 0.00 ATOM 136 CG2 VAL 50 0.803 6.012 17.960 1.00 0.00 ATOM 137 O VAL 50 5.202 6.803 18.987 1.00 0.00 ATOM 138 C VAL 50 4.579 5.937 18.376 1.00 0.00 ATOM 139 N ARG 51 5.040 4.677 18.274 1.00 0.00 ATOM 140 CA ARG 51 6.226 4.213 18.923 1.00 0.00 ATOM 141 CB ARG 51 5.872 3.392 20.165 1.00 0.00 ATOM 142 CG ARG 51 5.297 4.214 21.308 1.00 0.00 ATOM 143 CD ARG 51 5.013 3.346 22.524 1.00 0.00 ATOM 144 NE ARG 51 3.828 2.515 22.338 1.00 0.00 ATOM 145 CZ ARG 51 3.381 1.639 23.232 1.00 0.00 ATOM 146 NH1 ARG 51 2.293 0.926 22.977 1.00 0.00 ATOM 147 NH2 ARG 51 4.024 1.479 24.381 1.00 0.00 ATOM 148 O ARG 51 6.466 2.604 17.199 1.00 0.00 ATOM 149 C ARG 51 7.021 3.352 18.001 1.00 0.00 ATOM 153 N LYS 55 11.643 -4.230 18.788 1.00 0.00 ATOM 154 CA LYS 55 10.820 -5.282 18.279 1.00 0.00 ATOM 155 CB LYS 55 10.410 -6.234 19.404 1.00 0.00 ATOM 156 CG LYS 55 9.563 -7.410 18.946 1.00 0.00 ATOM 157 CD LYS 55 9.253 -8.351 20.099 1.00 0.00 ATOM 158 CE LYS 55 8.364 -9.500 19.651 1.00 0.00 ATOM 159 NZ LYS 55 8.032 -10.416 20.776 1.00 0.00 ATOM 160 O LYS 55 9.258 -5.115 16.503 1.00 0.00 ATOM 161 C LYS 55 9.565 -4.783 17.647 1.00 0.00 ATOM 162 N ALA 56 8.767 -3.973 18.365 1.00 0.00 ATOM 163 CA ALA 56 7.460 -3.574 17.943 1.00 0.00 ATOM 164 CB ALA 56 6.459 -3.757 19.073 1.00 0.00 ATOM 165 O ALA 56 8.113 -1.280 18.006 1.00 0.00 ATOM 166 C ALA 56 7.388 -2.147 17.522 1.00 0.00 ATOM 167 N TYR 77 6.418 -1.841 16.641 1.00 0.00 ATOM 168 CA TYR 77 5.997 -0.526 16.273 1.00 0.00 ATOM 169 CB TYR 77 6.092 -0.337 14.758 1.00 0.00 ATOM 170 CG TYR 77 7.506 -0.383 14.224 1.00 0.00 ATOM 171 CD1 TYR 77 8.066 -1.581 13.798 1.00 0.00 ATOM 172 CD2 TYR 77 8.276 0.769 14.146 1.00 0.00 ATOM 173 CE1 TYR 77 9.357 -1.634 13.306 1.00 0.00 ATOM 174 CE2 TYR 77 9.568 0.737 13.659 1.00 0.00 ATOM 175 CZ TYR 77 10.105 -0.478 13.237 1.00 0.00 ATOM 176 OH TYR 77 11.392 -0.528 12.750 1.00 0.00 ATOM 177 O TYR 77 3.758 -1.283 16.576 1.00 0.00 ATOM 178 C TYR 77 4.583 -0.383 16.723 1.00 0.00 ATOM 179 N HIS 78 4.236 0.751 17.358 1.00 0.00 ATOM 180 CA HIS 78 2.942 0.976 17.922 1.00 0.00 ATOM 181 CB HIS 78 3.063 1.495 19.355 1.00 0.00 ATOM 182 CG HIS 78 1.748 1.788 20.007 1.00 0.00 ATOM 183 CD2 HIS 78 1.025 2.990 20.393 1.00 0.00 ATOM 184 ND1 HIS 78 0.878 0.795 20.404 1.00 0.00 ATOM 185 CE1 HIS 78 -0.212 1.361 20.952 1.00 0.00 ATOM 186 NE2 HIS 78 -0.130 2.676 20.949 1.00 0.00 ATOM 187 O HIS 78 2.879 3.021 16.747 1.00 0.00 ATOM 188 C HIS 78 2.283 1.988 17.050 1.00 0.00 ATOM 189 N VAL 79 1.071 1.691 16.548 1.00 0.00 ATOM 190 CA VAL 79 0.515 2.406 15.441 1.00 0.00 ATOM 191 CB VAL 79 0.694 1.631 14.122 1.00 0.00 ATOM 192 CG1 VAL 79 2.172 1.468 13.798 1.00 0.00 ATOM 193 CG2 VAL 79 0.070 0.247 14.227 1.00 0.00 ATOM 194 O VAL 79 -1.630 1.844 16.334 1.00 0.00 ATOM 195 C VAL 79 -0.943 2.617 15.669 1.00 0.00 ATOM 196 N LYS 80 -1.472 3.720 15.108 1.00 0.00 ATOM 197 CA LYS 80 -2.849 4.043 15.315 1.00 0.00 ATOM 198 CB LYS 80 -3.011 4.943 16.541 1.00 0.00 ATOM 199 CG LYS 80 -2.658 4.266 17.857 1.00 0.00 ATOM 200 CD LYS 80 -2.871 5.205 19.035 1.00 0.00 ATOM 201 CE LYS 80 -2.567 4.513 20.353 1.00 0.00 ATOM 202 NZ LYS 80 -2.769 5.422 21.516 1.00 0.00 ATOM 203 O LYS 80 -2.719 5.473 13.407 1.00 0.00 ATOM 204 C LYS 80 -3.409 4.760 14.135 1.00 0.00 ATOM 205 N TYR 81 -4.712 4.539 13.883 1.00 0.00 ATOM 206 CA TYR 81 -5.422 4.938 12.708 1.00 0.00 ATOM 207 CB TYR 81 -6.296 3.792 12.195 1.00 0.00 ATOM 208 CG TYR 81 -5.511 2.605 11.686 1.00 0.00 ATOM 209 CD1 TYR 81 -4.205 2.753 11.239 1.00 0.00 ATOM 210 CD2 TYR 81 -6.079 1.337 11.654 1.00 0.00 ATOM 211 CE1 TYR 81 -3.478 1.674 10.773 1.00 0.00 ATOM 212 CE2 TYR 81 -5.369 0.245 11.191 1.00 0.00 ATOM 213 CZ TYR 81 -4.058 0.423 10.750 1.00 0.00 ATOM 214 OH TYR 81 -3.339 -0.654 10.285 1.00 0.00 ATOM 215 O TYR 81 -6.704 6.267 14.188 1.00 0.00 ATOM 216 C TYR 81 -6.288 6.105 13.043 1.00 0.00 ATOM 217 N ASP 82 -6.567 6.987 12.066 1.00 0.00 ATOM 218 CA ASP 82 -7.253 8.232 12.221 1.00 0.00 ATOM 219 CB ASP 82 -7.076 9.101 10.975 1.00 0.00 ATOM 220 CG ASP 82 -5.662 9.629 10.830 1.00 0.00 ATOM 221 OD1 ASP 82 -4.917 9.616 11.833 1.00 0.00 ATOM 222 OD2 ASP 82 -5.299 10.056 9.713 1.00 0.00 ATOM 223 O ASP 82 -9.554 8.631 11.712 1.00 0.00 ATOM 224 C ASP 82 -8.721 8.087 12.435 1.00 0.00 ATOM 225 N ASP 83 -9.136 7.294 13.439 1.00 0.00 ATOM 226 CA ASP 83 -10.465 6.882 13.771 1.00 0.00 ATOM 227 CB ASP 83 -11.173 7.966 14.588 1.00 0.00 ATOM 228 CG ASP 83 -10.462 8.271 15.892 1.00 0.00 ATOM 229 OD1 ASP 83 -10.109 7.314 16.614 1.00 0.00 ATOM 230 OD2 ASP 83 -10.257 9.466 16.191 1.00 0.00 ATOM 231 O ASP 83 -12.624 6.752 12.747 1.00 0.00 ATOM 232 C ASP 83 -11.408 6.585 12.657 1.00 0.00 ATOM 233 N TYR 84 -10.876 6.032 11.552 1.00 0.00 ATOM 234 CA TYR 84 -11.613 5.621 10.399 1.00 0.00 ATOM 235 CB TYR 84 -10.680 5.456 9.197 1.00 0.00 ATOM 236 CG TYR 84 -10.150 6.763 8.650 1.00 0.00 ATOM 237 CD1 TYR 84 -8.857 7.183 8.941 1.00 0.00 ATOM 238 CD2 TYR 84 -10.942 7.571 7.845 1.00 0.00 ATOM 239 CE1 TYR 84 -8.365 8.375 8.444 1.00 0.00 ATOM 240 CE2 TYR 84 -10.466 8.766 7.341 1.00 0.00 ATOM 241 CZ TYR 84 -9.166 9.164 7.648 1.00 0.00 ATOM 242 OH TYR 84 -8.676 10.350 7.153 1.00 0.00 ATOM 243 O TYR 84 -13.251 3.939 10.007 1.00 0.00 ATOM 244 C TYR 84 -12.285 4.318 10.667 1.00 0.00 ATOM 245 N PRO 85 -11.772 3.593 11.677 1.00 0.00 ATOM 246 CA PRO 85 -12.255 2.322 12.118 1.00 0.00 ATOM 247 CB PRO 85 -11.423 1.312 11.325 1.00 0.00 ATOM 248 CG PRO 85 -10.147 2.029 11.034 1.00 0.00 ATOM 249 CD PRO 85 -10.516 3.472 10.829 1.00 0.00 ATOM 250 O PRO 85 -13.015 2.305 14.350 1.00 0.00 ATOM 251 C PRO 85 -12.064 2.146 13.586 1.00 0.00 ATOM 252 N GLU 86 -10.845 1.838 14.062 1.00 0.00 ATOM 253 CA GLU 86 -10.578 1.524 15.432 1.00 0.00 ATOM 254 CB GLU 86 -11.048 0.105 15.759 1.00 0.00 ATOM 255 CG GLU 86 -10.893 -0.279 17.221 1.00 0.00 ATOM 256 CD GLU 86 -11.402 -1.678 17.512 1.00 0.00 ATOM 257 OE1 GLU 86 -11.864 -2.352 16.567 1.00 0.00 ATOM 258 OE2 GLU 86 -11.334 -2.102 18.685 1.00 0.00 ATOM 259 O GLU 86 -8.374 0.819 15.142 1.00 0.00 ATOM 260 C GLU 86 -9.118 1.612 15.717 1.00 0.00 ATOM 264 N VAL 90 -2.985 -0.488 17.990 1.00 0.00 ATOM 265 CA VAL 90 -2.443 -1.811 18.031 1.00 0.00 ATOM 266 CB VAL 90 -3.123 -2.732 17.000 1.00 0.00 ATOM 267 CG1 VAL 90 -4.609 -2.852 17.292 1.00 0.00 ATOM 268 CG2 VAL 90 -2.951 -2.176 15.596 1.00 0.00 ATOM 269 O VAL 90 -0.413 -0.841 17.267 1.00 0.00 ATOM 270 C VAL 90 -0.983 -1.823 17.737 1.00 0.00 ATOM 271 N GLN 91 -0.304 -2.941 18.051 1.00 0.00 ATOM 272 CA GLN 91 1.085 -3.168 17.792 1.00 0.00 ATOM 273 CB GLN 91 1.784 -3.702 19.044 1.00 0.00 ATOM 274 CG GLN 91 1.825 -2.715 20.199 1.00 0.00 ATOM 275 CD GLN 91 2.449 -3.306 21.449 1.00 0.00 ATOM 276 OE1 GLN 91 2.956 -4.427 21.429 1.00 0.00 ATOM 277 NE2 GLN 91 2.412 -2.551 22.540 1.00 0.00 ATOM 278 O GLN 91 0.820 -5.260 16.669 1.00 0.00 ATOM 279 C GLN 91 1.355 -4.153 16.707 1.00 0.00 ATOM 280 N MET 92 2.199 -3.725 15.752 1.00 0.00 ATOM 281 CA MET 92 2.621 -4.432 14.583 1.00 0.00 ATOM 282 CB MET 92 2.181 -3.689 13.319 1.00 0.00 ATOM 283 CG MET 92 0.675 -3.559 13.170 1.00 0.00 ATOM 284 SD MET 92 -0.145 -5.152 12.967 1.00 0.00 ATOM 285 CE MET 92 0.443 -5.632 11.345 1.00 0.00 ATOM 286 O MET 92 4.687 -3.563 15.181 1.00 0.00 ATOM 287 C MET 92 4.107 -4.510 14.652 1.00 0.00 ATOM 288 N ASN 93 4.859 -5.506 14.290 1.00 0.00 ATOM 289 CA ASN 93 6.292 -5.421 14.274 1.00 0.00 ATOM 290 CB ASN 93 6.913 -6.804 14.488 1.00 0.00 ATOM 291 CG ASN 93 6.658 -7.348 15.880 1.00 0.00 ATOM 292 ND2 ASN 93 6.622 -8.670 16.000 1.00 0.00 ATOM 293 OD1 ASN 93 6.495 -6.588 16.834 1.00 0.00 ATOM 294 O ASN 93 6.113 -4.716 12.024 1.00 0.00 ATOM 295 C ASN 93 6.845 -4.895 12.995 1.00 0.00 ATOM 299 N VAL 97 5.660 -3.836 8.834 1.00 0.00 ATOM 300 CA VAL 97 5.583 -2.455 8.471 1.00 0.00 ATOM 301 CB VAL 97 6.276 -1.558 9.514 1.00 0.00 ATOM 302 CG1 VAL 97 5.611 -1.710 10.873 1.00 0.00 ATOM 303 CG2 VAL 97 7.743 -1.935 9.652 1.00 0.00 ATOM 304 O VAL 97 7.174 -2.948 6.780 1.00 0.00 ATOM 305 C VAL 97 6.247 -2.231 7.156 1.00 0.00 ATOM 306 N ARG 98 5.810 -1.224 6.379 1.00 0.00 ATOM 307 CA ARG 98 6.566 -0.696 5.288 1.00 0.00 ATOM 308 CB ARG 98 6.002 -1.193 3.955 1.00 0.00 ATOM 309 CG ARG 98 6.065 -2.701 3.777 1.00 0.00 ATOM 310 CD ARG 98 5.440 -3.129 2.461 1.00 0.00 ATOM 311 NE ARG 98 6.196 -2.640 1.311 1.00 0.00 ATOM 312 CZ ARG 98 5.665 -2.399 0.115 1.00 0.00 ATOM 313 NH1 ARG 98 6.431 -1.956 -0.872 1.00 0.00 ATOM 314 NH2 ARG 98 4.371 -2.604 -0.090 1.00 0.00 ATOM 315 O ARG 98 5.443 1.331 5.693 1.00 0.00 ATOM 316 C ARG 98 6.489 0.792 5.337 1.00 0.00 ATOM 320 N TRP 107 9.259 7.622 -0.764 1.00 0.00 ATOM 321 CA TRP 107 10.538 7.528 -1.405 1.00 0.00 ATOM 322 CB TRP 107 10.370 7.337 -2.914 1.00 0.00 ATOM 323 CG TRP 107 11.664 7.159 -3.645 1.00 0.00 ATOM 324 CD1 TRP 107 12.298 8.084 -4.425 1.00 0.00 ATOM 325 CD2 TRP 107 12.486 5.986 -3.665 1.00 0.00 ATOM 326 CE2 TRP 107 13.602 6.272 -4.478 1.00 0.00 ATOM 327 CE3 TRP 107 12.388 4.722 -3.076 1.00 0.00 ATOM 328 NE1 TRP 107 13.462 7.560 -4.930 1.00 0.00 ATOM 329 CZ2 TRP 107 14.611 5.339 -4.715 1.00 0.00 ATOM 330 CZ3 TRP 107 13.391 3.802 -3.314 1.00 0.00 ATOM 331 CH2 TRP 107 14.486 4.111 -4.125 1.00 0.00 ATOM 332 O TRP 107 12.384 8.852 -1.965 1.00 0.00 ATOM 333 C TRP 107 11.407 8.726 -1.229 1.00 0.00 ATOM 334 N GLN 108 10.311 9.983 -10.629 1.00 0.00 ATOM 335 CA GLN 108 9.979 9.265 -11.822 1.00 0.00 ATOM 336 CB GLN 108 11.051 8.219 -12.133 1.00 0.00 ATOM 337 CG GLN 108 12.377 8.805 -12.590 1.00 0.00 ATOM 338 CD GLN 108 13.399 7.739 -12.930 1.00 0.00 ATOM 339 OE1 GLN 108 13.091 6.547 -12.929 1.00 0.00 ATOM 340 NE2 GLN 108 14.622 8.167 -13.225 1.00 0.00 ATOM 341 O GLN 108 8.256 8.164 -10.590 1.00 0.00 ATOM 342 C GLN 108 8.673 8.563 -11.677 1.00 0.00 ATOM 343 N ASP 109 7.944 8.414 -12.798 1.00 0.00 ATOM 344 CA ASP 109 6.596 7.938 -12.832 1.00 0.00 ATOM 345 CB ASP 109 5.797 8.665 -13.914 1.00 0.00 ATOM 346 CG ASP 109 6.323 8.391 -15.309 1.00 0.00 ATOM 347 OD1 ASP 109 7.190 7.503 -15.453 1.00 0.00 ATOM 348 OD2 ASP 109 5.869 9.062 -16.259 1.00 0.00 ATOM 349 O ASP 109 7.489 5.730 -13.063 1.00 0.00 ATOM 350 C ASP 109 6.515 6.479 -13.121 1.00 0.00 ATOM 351 N LEU 110 5.298 6.001 -13.437 1.00 0.00 ATOM 352 CA LEU 110 4.941 4.664 -13.794 1.00 0.00 ATOM 353 CB LEU 110 3.419 4.496 -13.791 1.00 0.00 ATOM 354 CG LEU 110 2.721 4.666 -12.441 1.00 0.00 ATOM 355 CD1 LEU 110 1.212 4.594 -12.603 1.00 0.00 ATOM 356 CD2 LEU 110 3.148 3.572 -11.474 1.00 0.00 ATOM 357 O LEU 110 5.624 5.092 -16.034 1.00 0.00 ATOM 358 C LEU 110 5.417 4.264 -15.148 1.00 0.00 ATOM 359 N GLU 111 5.672 2.963 -15.373 1.00 0.00 ATOM 360 CA GLU 111 6.427 2.491 -16.493 1.00 0.00 ATOM 361 CB GLU 111 7.583 1.604 -16.024 1.00 0.00 ATOM 362 CG GLU 111 8.589 2.315 -15.133 1.00 0.00 ATOM 363 CD GLU 111 9.730 1.413 -14.706 1.00 0.00 ATOM 364 OE1 GLU 111 9.761 0.245 -15.150 1.00 0.00 ATOM 365 OE2 GLU 111 10.592 1.872 -13.929 1.00 0.00 ATOM 366 O GLU 111 6.231 0.942 -18.264 1.00 0.00 ATOM 367 C GLU 111 5.648 1.679 -17.470 1.00 0.00 ATOM 368 N VAL 112 4.309 1.801 -17.454 1.00 0.00 ATOM 369 CA VAL 112 3.402 1.131 -18.333 1.00 0.00 ATOM 370 CB VAL 112 3.842 1.262 -19.803 1.00 0.00 ATOM 371 CG1 VAL 112 2.871 0.527 -20.716 1.00 0.00 ATOM 372 CG2 VAL 112 3.879 2.724 -20.219 1.00 0.00 ATOM 373 O VAL 112 4.158 -1.133 -18.328 1.00 0.00 ATOM 374 C VAL 112 3.254 -0.332 -18.091 1.00 0.00 ATOM 375 N GLY 113 2.073 -0.726 -17.583 1.00 0.00 ATOM 376 CA GLY 113 1.699 -2.058 -17.223 1.00 0.00 ATOM 377 O GLY 113 3.066 -3.565 -15.952 1.00 0.00 ATOM 378 C GLY 113 2.416 -2.522 -16.001 1.00 0.00 ATOM 379 N GLN 114 2.328 -1.690 -14.948 1.00 0.00 ATOM 380 CA GLN 114 3.055 -1.784 -13.720 1.00 0.00 ATOM 381 CB GLN 114 3.813 -0.483 -13.446 1.00 0.00 ATOM 382 CG GLN 114 4.869 -0.149 -14.487 1.00 0.00 ATOM 383 CD GLN 114 5.985 -1.172 -14.533 1.00 0.00 ATOM 384 OE1 GLN 114 6.474 -1.620 -13.496 1.00 0.00 ATOM 385 NE2 GLN 114 6.393 -1.547 -15.740 1.00 0.00 ATOM 386 O GLN 114 0.986 -2.541 -12.791 1.00 0.00 ATOM 387 C GLN 114 2.092 -2.035 -12.610 1.00 0.00 ATOM 388 N VAL 115 2.485 -1.661 -11.379 1.00 0.00 ATOM 389 CA VAL 115 1.722 -1.715 -10.171 1.00 0.00 ATOM 390 CB VAL 115 2.522 -2.367 -9.028 1.00 0.00 ATOM 391 CG1 VAL 115 1.721 -2.340 -7.734 1.00 0.00 ATOM 392 CG2 VAL 115 2.844 -3.815 -9.363 1.00 0.00 ATOM 393 O VAL 115 2.033 0.647 -10.119 1.00 0.00 ATOM 394 C VAL 115 1.360 -0.324 -9.775 1.00 0.00 ATOM 395 N VAL 116 0.238 -0.176 -9.048 1.00 0.00 ATOM 396 CA VAL 116 -0.288 1.085 -8.627 1.00 0.00 ATOM 397 CB VAL 116 -1.428 1.558 -9.548 1.00 0.00 ATOM 398 CG1 VAL 116 -0.918 1.756 -10.967 1.00 0.00 ATOM 399 CG2 VAL 116 -2.548 0.529 -9.580 1.00 0.00 ATOM 400 O VAL 116 -0.975 -0.142 -6.697 1.00 0.00 ATOM 401 C VAL 116 -0.820 0.949 -7.240 1.00 0.00 ATOM 402 N MET 117 -1.140 2.103 -6.626 1.00 0.00 ATOM 403 CA MET 117 -1.957 2.155 -5.453 1.00 0.00 ATOM 404 CB MET 117 -1.348 3.103 -4.417 1.00 0.00 ATOM 405 CG MET 117 0.024 2.678 -3.918 1.00 0.00 ATOM 406 SD MET 117 -0.012 1.100 -3.046 1.00 0.00 ATOM 407 CE MET 117 -0.994 1.530 -1.609 1.00 0.00 ATOM 408 O MET 117 -3.457 3.628 -6.571 1.00 0.00 ATOM 409 C MET 117 -3.308 2.646 -5.845 1.00 0.00 ATOM 410 N LEU 118 -4.366 1.944 -5.399 1.00 0.00 ATOM 411 CA LEU 118 -5.731 2.285 -5.650 1.00 0.00 ATOM 412 CB LEU 118 -6.535 1.037 -6.019 1.00 0.00 ATOM 413 CG LEU 118 -6.087 0.290 -7.277 1.00 0.00 ATOM 414 CD1 LEU 118 -6.922 -0.965 -7.483 1.00 0.00 ATOM 415 CD2 LEU 118 -6.242 1.170 -8.509 1.00 0.00 ATOM 416 O LEU 118 -6.145 2.379 -3.313 1.00 0.00 ATOM 417 C LEU 118 -6.304 2.895 -4.418 1.00 0.00 ATOM 418 N TYR 120 -6.975 4.055 -4.546 1.00 0.00 ATOM 419 CA TYR 120 -7.650 4.661 -3.442 1.00 0.00 ATOM 420 CB TYR 120 -8.077 6.088 -3.792 1.00 0.00 ATOM 421 CG TYR 120 -8.749 6.823 -2.656 1.00 0.00 ATOM 422 CD1 TYR 120 -8.005 7.341 -1.603 1.00 0.00 ATOM 423 CD2 TYR 120 -10.128 6.998 -2.637 1.00 0.00 ATOM 424 CE1 TYR 120 -8.611 8.015 -0.561 1.00 0.00 ATOM 425 CE2 TYR 120 -10.752 7.669 -1.603 1.00 0.00 ATOM 426 CZ TYR 120 -9.980 8.178 -0.559 1.00 0.00 ATOM 427 OH TYR 120 -10.586 8.848 0.478 1.00 0.00 ATOM 428 O TYR 120 -9.770 3.648 -3.892 1.00 0.00 ATOM 429 C TYR 120 -8.865 3.874 -3.089 1.00 0.00 ATOM 430 N ASN 121 -8.884 3.346 -1.852 1.00 0.00 ATOM 431 CA ASN 121 -9.940 2.555 -1.306 1.00 0.00 ATOM 432 CB ASN 121 -9.472 1.114 -1.089 1.00 0.00 ATOM 433 CG ASN 121 -10.590 0.203 -0.617 1.00 0.00 ATOM 434 ND2 ASN 121 -11.072 -0.651 -1.512 1.00 0.00 ATOM 435 OD1 ASN 121 -11.013 0.270 0.537 1.00 0.00 ATOM 436 O ASN 121 -9.456 3.798 0.665 1.00 0.00 ATOM 437 C ASN 121 -10.292 3.203 -0.012 1.00 0.00 ATOM 438 N PRO 122 -11.584 3.124 0.356 1.00 0.00 ATOM 439 CA PRO 122 -12.118 3.737 1.533 1.00 0.00 ATOM 440 CB PRO 122 -13.469 4.295 1.078 1.00 0.00 ATOM 441 CG PRO 122 -13.923 3.352 0.015 1.00 0.00 ATOM 442 CD PRO 122 -12.676 2.820 -0.632 1.00 0.00 ATOM 443 O PRO 122 -12.656 1.573 2.376 1.00 0.00 ATOM 444 C PRO 122 -12.268 2.718 2.608 1.00 0.00 ATOM 445 N ASP 123 -11.957 3.097 3.859 1.00 0.00 ATOM 446 CA ASP 123 -12.107 2.250 5.002 1.00 0.00 ATOM 447 CB ASP 123 -11.502 2.910 6.242 1.00 0.00 ATOM 448 CG ASP 123 -11.505 1.994 7.451 1.00 0.00 ATOM 449 OD1 ASP 123 -11.097 0.823 7.308 1.00 0.00 ATOM 450 OD2 ASP 123 -11.915 2.450 8.539 1.00 0.00 ATOM 451 O ASP 123 -13.972 0.834 5.456 1.00 0.00 ATOM 452 C ASP 123 -13.545 1.974 5.281 1.00 0.00 ATOM 456 N LYS 126 -17.057 5.867 2.075 1.00 0.00 ATOM 457 CA LYS 126 -16.659 7.074 1.419 1.00 0.00 ATOM 458 CB LYS 126 -17.845 8.033 1.296 1.00 0.00 ATOM 459 CG LYS 126 -18.942 7.547 0.362 1.00 0.00 ATOM 460 CD LYS 126 -20.072 8.558 0.264 1.00 0.00 ATOM 461 CE LYS 126 -21.177 8.063 -0.653 1.00 0.00 ATOM 462 NZ LYS 126 -22.299 9.037 -0.748 1.00 0.00 ATOM 463 O LYS 126 -15.103 8.838 1.730 1.00 0.00 ATOM 464 C LYS 126 -15.581 7.788 2.159 1.00 0.00 ATOM 468 N GLY 129 -9.546 6.772 3.697 1.00 0.00 ATOM 469 CA GLY 129 -8.255 6.460 4.228 1.00 0.00 ATOM 470 O GLY 129 -7.860 4.521 5.530 1.00 0.00 ATOM 471 C GLY 129 -7.987 5.006 4.407 1.00 0.00 ATOM 472 N PHE 130 -7.833 4.255 3.302 1.00 0.00 ATOM 473 CA PHE 130 -7.219 2.966 3.341 1.00 0.00 ATOM 474 CB PHE 130 -8.242 1.875 3.014 1.00 0.00 ATOM 475 CG PHE 130 -7.701 0.480 3.139 1.00 0.00 ATOM 476 CD1 PHE 130 -7.561 -0.115 4.380 1.00 0.00 ATOM 477 CD2 PHE 130 -7.335 -0.238 2.015 1.00 0.00 ATOM 478 CE1 PHE 130 -7.065 -1.400 4.494 1.00 0.00 ATOM 479 CE2 PHE 130 -6.838 -1.523 2.129 1.00 0.00 ATOM 480 CZ PHE 130 -6.702 -2.104 3.362 1.00 0.00 ATOM 481 O PHE 130 -4.980 3.213 2.707 1.00 0.00 ATOM 482 C PHE 130 -6.115 2.906 2.341 1.00 0.00 ATOM 483 N TRP 131 -6.415 2.555 1.078 1.00 0.00 ATOM 484 CA TRP 131 -5.548 2.468 -0.054 1.00 0.00 ATOM 485 CB TRP 131 -4.434 3.512 0.041 1.00 0.00 ATOM 486 CG TRP 131 -4.919 4.921 -0.110 1.00 0.00 ATOM 487 CD1 TRP 131 -6.206 5.328 -0.311 1.00 0.00 ATOM 488 CD2 TRP 131 -4.121 6.111 -0.071 1.00 0.00 ATOM 489 CE2 TRP 131 -4.994 7.204 -0.256 1.00 0.00 ATOM 490 CE3 TRP 131 -2.756 6.362 0.103 1.00 0.00 ATOM 491 NE1 TRP 131 -6.262 6.698 -0.400 1.00 0.00 ATOM 492 CZ2 TRP 131 -4.546 8.523 -0.273 1.00 0.00 ATOM 493 CZ3 TRP 131 -2.317 7.672 0.084 1.00 0.00 ATOM 494 CH2 TRP 131 -3.205 8.737 -0.101 1.00 0.00 ATOM 495 O TRP 131 -4.262 0.646 0.765 1.00 0.00 ATOM 496 C TRP 131 -4.899 1.130 -0.169 1.00 0.00 ATOM 497 N TYR 132 -5.081 0.440 -1.308 1.00 0.00 ATOM 498 CA TYR 132 -4.638 -0.909 -1.486 1.00 0.00 ATOM 499 CB TYR 132 -5.832 -1.844 -1.681 1.00 0.00 ATOM 500 CG TYR 132 -6.625 -1.571 -2.940 1.00 0.00 ATOM 501 CD1 TYR 132 -6.315 -2.219 -4.130 1.00 0.00 ATOM 502 CD2 TYR 132 -7.679 -0.665 -2.934 1.00 0.00 ATOM 503 CE1 TYR 132 -7.034 -1.975 -5.284 1.00 0.00 ATOM 504 CE2 TYR 132 -8.409 -0.410 -4.081 1.00 0.00 ATOM 505 CZ TYR 132 -8.077 -1.074 -5.260 1.00 0.00 ATOM 506 OH TYR 132 -8.793 -0.830 -6.410 1.00 0.00 ATOM 507 O TYR 132 -3.731 -0.146 -3.556 1.00 0.00 ATOM 508 C TYR 132 -3.756 -1.013 -2.682 1.00 0.00 ATOM 509 N ASP 133 -2.979 -2.107 -2.782 1.00 0.00 ATOM 510 CA ASP 133 -2.126 -2.444 -3.879 1.00 0.00 ATOM 511 CB ASP 133 -1.083 -3.477 -3.448 1.00 0.00 ATOM 512 CG ASP 133 -0.106 -3.818 -4.557 1.00 0.00 ATOM 513 OD1 ASP 133 0.715 -2.946 -4.913 1.00 0.00 ATOM 514 OD2 ASP 133 -0.163 -4.955 -5.071 1.00 0.00 ATOM 515 O ASP 133 -3.746 -3.849 -4.883 1.00 0.00 ATOM 516 C ASP 133 -2.850 -3.024 -5.045 1.00 0.00 ATOM 517 N ALA 134 -2.517 -2.598 -6.277 1.00 0.00 ATOM 518 CA ALA 134 -3.152 -3.085 -7.463 1.00 0.00 ATOM 519 CB ALA 134 -4.273 -2.147 -7.887 1.00 0.00 ATOM 520 O ALA 134 -1.160 -2.587 -8.652 1.00 0.00 ATOM 521 C ALA 134 -2.223 -3.205 -8.623 1.00 0.00 ATOM 522 N GLU 135 -2.566 -4.047 -9.613 1.00 0.00 ATOM 523 CA GLU 135 -1.782 -4.259 -10.788 1.00 0.00 ATOM 524 CB GLU 135 -1.509 -5.751 -10.989 1.00 0.00 ATOM 525 CG GLU 135 -0.635 -6.372 -9.912 1.00 0.00 ATOM 526 CD GLU 135 -0.350 -7.839 -10.167 1.00 0.00 ATOM 527 OE1 GLU 135 -0.839 -8.370 -11.186 1.00 0.00 ATOM 528 OE2 GLU 135 0.360 -8.457 -9.347 1.00 0.00 ATOM 529 O GLU 135 -3.711 -3.989 -12.142 1.00 0.00 ATOM 530 C GLU 135 -2.520 -3.737 -11.973 1.00 0.00 ATOM 531 N ILE 136 -1.867 -2.949 -12.847 1.00 0.00 ATOM 532 CA ILE 136 -2.483 -2.390 -14.010 1.00 0.00 ATOM 533 CB ILE 136 -2.040 -0.933 -14.238 1.00 0.00 ATOM 534 CG1 ILE 136 -2.347 -0.083 -13.004 1.00 0.00 ATOM 535 CG2 ILE 136 -2.772 -0.334 -15.430 1.00 0.00 ATOM 536 CD1 ILE 136 -3.815 -0.045 -12.638 1.00 0.00 ATOM 537 O ILE 136 -0.928 -3.473 -15.428 1.00 0.00 ATOM 538 C ILE 136 -2.106 -3.186 -15.212 1.00 0.00 ATOM 539 N SER 137 -3.080 -3.565 -16.059 1.00 0.00 ATOM 540 CA SER 137 -2.803 -4.347 -17.224 1.00 0.00 ATOM 541 CB SER 137 -3.918 -5.368 -17.460 1.00 0.00 ATOM 542 OG SER 137 -4.071 -6.225 -16.342 1.00 0.00 ATOM 543 O SER 137 -1.736 -3.713 -19.227 1.00 0.00 ATOM 544 C SER 137 -2.688 -3.537 -18.468 1.00 0.00 ATOM 545 N ARG 138 -3.608 -2.588 -18.713 1.00 0.00 ATOM 546 CA ARG 138 -3.594 -1.789 -19.899 1.00 0.00 ATOM 547 CB ARG 138 -4.571 -2.349 -20.933 1.00 0.00 ATOM 548 CG ARG 138 -4.189 -3.718 -21.472 1.00 0.00 ATOM 549 CD ARG 138 -5.158 -4.178 -22.550 1.00 0.00 ATOM 550 NE ARG 138 -4.778 -5.473 -23.110 1.00 0.00 ATOM 551 CZ ARG 138 -5.423 -6.074 -24.102 1.00 0.00 ATOM 552 NH1 ARG 138 -5.005 -7.252 -24.549 1.00 0.00 ATOM 553 NH2 ARG 138 -6.486 -5.499 -24.649 1.00 0.00 ATOM 554 O ARG 138 -4.613 -0.071 -18.612 1.00 0.00 ATOM 555 C ARG 138 -3.985 -0.377 -19.624 1.00 0.00 ATOM 556 N LYS 139 -3.606 0.505 -20.565 1.00 0.00 ATOM 557 CA LYS 139 -3.940 1.894 -20.642 1.00 0.00 ATOM 558 CB LYS 139 -2.672 2.751 -20.653 1.00 0.00 ATOM 559 CG LYS 139 -1.875 2.694 -19.361 1.00 0.00 ATOM 560 CD LYS 139 -0.680 3.632 -19.408 1.00 0.00 ATOM 561 CE LYS 139 0.141 3.547 -18.131 1.00 0.00 ATOM 562 NZ LYS 139 1.299 4.482 -18.153 1.00 0.00 ATOM 563 O LYS 139 -4.278 1.813 -22.986 1.00 0.00 ATOM 564 C LYS 139 -4.710 2.165 -21.889 1.00 0.00 ATOM 565 N ARG 140 -5.882 2.817 -21.790 1.00 0.00 ATOM 566 CA ARG 140 -6.620 3.338 -22.899 1.00 0.00 ATOM 567 CB ARG 140 -7.973 2.634 -23.018 1.00 0.00 ATOM 568 CG ARG 140 -7.878 1.128 -23.185 1.00 0.00 ATOM 569 CD ARG 140 -9.203 0.452 -22.872 1.00 0.00 ATOM 570 NE ARG 140 -10.179 0.641 -23.941 1.00 0.00 ATOM 571 CZ ARG 140 -11.467 0.324 -23.842 1.00 0.00 ATOM 572 NH1 ARG 140 -12.281 0.533 -24.867 1.00 0.00 ATOM 573 NH2 ARG 140 -11.936 -0.197 -22.718 1.00 0.00 ATOM 574 O ARG 140 -7.821 5.225 -22.084 1.00 0.00 ATOM 575 C ARG 140 -6.832 4.795 -22.676 1.00 0.00 ATOM 576 N GLU 141 -5.887 5.633 -23.139 1.00 0.00 ATOM 577 CA GLU 141 -5.882 7.055 -22.994 1.00 0.00 ATOM 578 CB GLU 141 -7.142 7.661 -23.617 1.00 0.00 ATOM 579 CG GLU 141 -7.208 7.534 -25.129 1.00 0.00 ATOM 580 CD GLU 141 -8.490 8.101 -25.707 1.00 0.00 ATOM 581 OE1 GLU 141 -9.344 8.560 -24.919 1.00 0.00 ATOM 582 OE2 GLU 141 -8.641 8.087 -26.947 1.00 0.00 ATOM 583 O GLU 141 -4.788 7.707 -20.976 1.00 0.00 ATOM 584 C GLU 141 -5.842 7.555 -21.591 1.00 0.00 ATOM 585 N THR 142 -7.047 7.826 -21.058 1.00 0.00 ATOM 586 CA THR 142 -7.337 8.302 -19.741 1.00 0.00 ATOM 587 CB THR 142 -8.601 9.182 -19.725 1.00 0.00 ATOM 588 CG2 THR 142 -8.424 10.383 -20.641 1.00 0.00 ATOM 589 OG1 THR 142 -9.724 8.417 -20.174 1.00 0.00 ATOM 590 O THR 142 -7.357 7.260 -17.595 1.00 0.00 ATOM 591 C THR 142 -7.564 7.166 -18.804 1.00 0.00 ATOM 592 N TYR 149 -8.042 6.027 -19.336 1.00 0.00 ATOM 593 CA TYR 149 -8.567 4.924 -18.591 1.00 0.00 ATOM 594 CB TYR 149 -9.775 4.320 -19.310 1.00 0.00 ATOM 595 CG TYR 149 -10.989 5.220 -19.333 1.00 0.00 ATOM 596 CD1 TYR 149 -11.233 6.058 -20.411 1.00 0.00 ATOM 597 CD2 TYR 149 -11.887 5.230 -18.272 1.00 0.00 ATOM 598 CE1 TYR 149 -12.340 6.886 -20.441 1.00 0.00 ATOM 599 CE2 TYR 149 -13.000 6.049 -18.283 1.00 0.00 ATOM 600 CZ TYR 149 -13.221 6.881 -19.380 1.00 0.00 ATOM 601 OH TYR 149 -14.325 7.703 -19.406 1.00 0.00 ATOM 602 O TYR 149 -6.735 3.571 -19.303 1.00 0.00 ATOM 603 C TYR 149 -7.547 3.853 -18.422 1.00 0.00 ATOM 604 N ALA 150 -7.550 3.208 -17.241 1.00 0.00 ATOM 605 CA ALA 150 -6.612 2.205 -16.839 1.00 0.00 ATOM 606 CB ALA 150 -5.742 2.719 -15.702 1.00 0.00 ATOM 607 O ALA 150 -8.421 1.218 -15.689 1.00 0.00 ATOM 608 C ALA 150 -7.432 1.042 -16.399 1.00 0.00 ATOM 609 N ASN 151 -7.124 -0.185 -16.854 1.00 0.00 ATOM 610 CA ASN 151 -7.811 -1.350 -16.386 1.00 0.00 ATOM 611 CB ASN 151 -8.137 -2.284 -17.553 1.00 0.00 ATOM 612 CG ASN 151 -9.153 -1.691 -18.508 1.00 0.00 ATOM 613 ND2 ASN 151 -9.077 -2.089 -19.774 1.00 0.00 ATOM 614 OD1 ASN 151 -9.995 -0.885 -18.113 1.00 0.00 ATOM 615 O ASN 151 -5.793 -2.376 -15.644 1.00 0.00 ATOM 616 C ASN 151 -6.967 -2.091 -15.408 1.00 0.00 ATOM 617 N VAL 152 -7.563 -2.402 -14.244 1.00 0.00 ATOM 618 CA VAL 152 -6.864 -2.831 -13.073 1.00 0.00 ATOM 619 CB VAL 152 -7.183 -1.930 -11.865 1.00 0.00 ATOM 620 CG1 VAL 152 -6.472 -2.438 -10.620 1.00 0.00 ATOM 621 CG2 VAL 152 -6.727 -0.503 -12.129 1.00 0.00 ATOM 622 O VAL 152 -8.381 -4.660 -12.872 1.00 0.00 ATOM 623 C VAL 152 -7.241 -4.225 -12.710 1.00 0.00 ATOM 624 N VAL 153 -6.269 -5.009 -12.209 1.00 0.00 ATOM 625 CA VAL 153 -6.457 -6.292 -11.607 1.00 0.00 ATOM 626 CB VAL 153 -5.538 -7.353 -12.241 1.00 0.00 ATOM 627 CG1 VAL 153 -5.721 -8.697 -11.551 1.00 0.00 ATOM 628 CG2 VAL 153 -5.861 -7.522 -13.717 1.00 0.00 ATOM 629 O VAL 153 -5.138 -5.610 -9.740 1.00 0.00 ATOM 630 C VAL 153 -6.143 -6.186 -10.155 1.00 0.00 ATOM 631 N LEU 154 -7.036 -6.714 -9.298 1.00 0.00 ATOM 632 CA LEU 154 -7.026 -6.466 -7.891 1.00 0.00 ATOM 633 CB LEU 154 -8.454 -6.294 -7.366 1.00 0.00 ATOM 634 CG LEU 154 -9.271 -5.159 -7.985 1.00 0.00 ATOM 635 CD1 LEU 154 -10.688 -5.153 -7.433 1.00 0.00 ATOM 636 CD2 LEU 154 -8.636 -3.810 -7.678 1.00 0.00 ATOM 637 O LEU 154 -6.468 -8.741 -7.436 1.00 0.00 ATOM 638 C LEU 154 -6.405 -7.561 -7.095 1.00 0.00 ATOM 639 N GLY 155 -5.747 -7.186 -5.983 1.00 0.00 ATOM 640 CA GLY 155 -5.057 -8.089 -5.116 1.00 0.00 ATOM 641 O GLY 155 -6.752 -7.914 -3.465 1.00 0.00 ATOM 642 C GLY 155 -5.999 -8.646 -4.105 1.00 0.00 ATOM 643 N ASP 156 -6.022 -9.983 -3.969 1.00 0.00 ATOM 644 CA ASP 156 -6.930 -10.726 -3.151 1.00 0.00 ATOM 645 CB ASP 156 -6.803 -10.301 -1.686 1.00 0.00 ATOM 646 CG ASP 156 -7.435 -11.296 -0.734 1.00 0.00 ATOM 647 OD1 ASP 156 -7.765 -12.415 -1.176 1.00 0.00 ATOM 648 OD2 ASP 156 -7.602 -10.956 0.457 1.00 0.00 ATOM 649 O ASP 156 -8.812 -11.101 -4.527 1.00 0.00 ATOM 650 C ASP 156 -8.361 -10.546 -3.527 1.00 0.00 ATOM 651 N ASP 157 -12.788 -9.973 -2.749 1.00 0.00 ATOM 652 CA ASP 157 -13.929 -10.834 -2.792 1.00 0.00 ATOM 653 CB ASP 157 -15.099 -10.213 -2.025 1.00 0.00 ATOM 654 CG ASP 157 -16.268 -11.166 -1.873 1.00 0.00 ATOM 655 OD1 ASP 157 -16.162 -12.317 -2.348 1.00 0.00 ATOM 656 OD2 ASP 157 -17.288 -10.764 -1.279 1.00 0.00 ATOM 657 O ASP 157 -13.618 -11.599 -5.015 1.00 0.00 ATOM 658 C ASP 157 -14.369 -11.071 -4.195 1.00 0.00 ATOM 659 N SER 158 -15.612 -10.708 -4.562 1.00 0.00 ATOM 660 CA SER 158 -16.207 -11.095 -5.803 1.00 0.00 ATOM 661 CB SER 158 -17.725 -11.210 -5.657 1.00 0.00 ATOM 662 OG SER 158 -18.304 -9.957 -5.338 1.00 0.00 ATOM 663 O SER 158 -16.568 -10.264 -7.990 1.00 0.00 ATOM 664 C SER 158 -15.966 -10.143 -6.925 1.00 0.00 ATOM 665 N LEU 159 -15.074 -9.152 -6.755 1.00 0.00 ATOM 666 CA LEU 159 -14.833 -8.091 -7.683 1.00 0.00 ATOM 667 CB LEU 159 -13.911 -7.038 -7.065 1.00 0.00 ATOM 668 CG LEU 159 -14.475 -6.254 -5.880 1.00 0.00 ATOM 669 CD1 LEU 159 -13.416 -5.339 -5.286 1.00 0.00 ATOM 670 CD2 LEU 159 -15.655 -5.397 -6.315 1.00 0.00 ATOM 671 O LEU 159 -13.178 -9.252 -8.931 1.00 0.00 ATOM 672 C LEU 159 -14.187 -8.550 -8.946 1.00 0.00 ATOM 673 N ASN 160 -14.755 -8.181 -10.109 1.00 0.00 ATOM 674 CA ASN 160 -14.299 -8.588 -11.402 1.00 0.00 ATOM 675 CB ASN 160 -15.478 -8.743 -12.362 1.00 0.00 ATOM 676 CG ASN 160 -16.352 -9.934 -12.025 1.00 0.00 ATOM 677 ND2 ASN 160 -17.619 -9.869 -12.419 1.00 0.00 ATOM 678 OD1 ASN 160 -15.892 -10.902 -11.418 1.00 0.00 ATOM 679 O ASN 160 -12.387 -7.179 -11.357 1.00 0.00 ATOM 680 C ASN 160 -13.358 -7.591 -11.990 1.00 0.00 ATOM 681 N ASP 161 -13.559 -7.174 -13.252 1.00 0.00 ATOM 682 CA ASP 161 -12.655 -6.334 -13.973 1.00 0.00 ATOM 683 CB ASP 161 -12.614 -6.733 -15.449 1.00 0.00 ATOM 684 CG ASP 161 -11.640 -5.895 -16.253 1.00 0.00 ATOM 685 OD1 ASP 161 -11.057 -4.951 -15.682 1.00 0.00 ATOM 686 OD2 ASP 161 -11.460 -6.185 -17.455 1.00 0.00 ATOM 687 O ASP 161 -14.129 -4.550 -14.415 1.00 0.00 ATOM 688 C ASP 161 -13.083 -4.911 -13.878 1.00 0.00 ATOM 689 N CYS 162 -12.301 -4.042 -13.213 1.00 0.00 ATOM 690 CA CYS 162 -12.642 -2.662 -13.069 1.00 0.00 ATOM 691 CB CYS 162 -12.516 -2.228 -11.607 1.00 0.00 ATOM 692 SG CYS 162 -13.631 -3.089 -10.473 1.00 0.00 ATOM 693 O CYS 162 -10.562 -1.890 -13.981 1.00 0.00 ATOM 694 C CYS 162 -11.778 -1.746 -13.866 1.00 0.00 ATOM 695 N ARG 163 -12.447 -0.741 -14.458 1.00 0.00 ATOM 696 CA ARG 163 -11.879 0.372 -15.155 1.00 0.00 ATOM 697 CB ARG 163 -12.726 0.724 -16.380 1.00 0.00 ATOM 698 CG ARG 163 -12.120 1.803 -17.263 1.00 0.00 ATOM 699 CD ARG 163 -12.938 2.004 -18.529 1.00 0.00 ATOM 700 NE ARG 163 -14.261 2.553 -18.245 1.00 0.00 ATOM 701 CZ ARG 163 -15.214 2.713 -19.157 1.00 0.00 ATOM 702 NH1 ARG 163 -16.388 3.220 -18.807 1.00 0.00 ATOM 703 NH2 ARG 163 -14.991 2.365 -20.418 1.00 0.00 ATOM 704 O ARG 163 -12.879 1.826 -13.586 1.00 0.00 ATOM 705 C ARG 163 -11.857 1.509 -14.192 1.00 0.00 ATOM 706 N ILE 165 -10.702 2.167 -13.999 1.00 0.00 ATOM 707 CA ILE 165 -10.588 3.339 -13.186 1.00 0.00 ATOM 708 CB ILE 165 -9.860 3.040 -11.863 1.00 0.00 ATOM 709 CG1 ILE 165 -10.662 2.038 -11.028 1.00 0.00 ATOM 710 CG2 ILE 165 -9.687 4.315 -11.051 1.00 0.00 ATOM 711 CD1 ILE 165 -9.904 1.491 -9.839 1.00 0.00 ATOM 712 O ILE 165 -8.937 3.976 -14.776 1.00 0.00 ATOM 713 C ILE 165 -9.811 4.328 -13.986 1.00 0.00 ATOM 714 N PHE 166 -10.120 5.632 -13.864 1.00 0.00 ATOM 715 CA PHE 166 -9.450 6.666 -14.591 1.00 0.00 ATOM 716 CB PHE 166 -10.362 7.884 -14.751 1.00 0.00 ATOM 717 CG PHE 166 -9.745 9.003 -15.541 1.00 0.00 ATOM 718 CD1 PHE 166 -9.686 8.945 -16.922 1.00 0.00 ATOM 719 CD2 PHE 166 -9.222 10.113 -14.902 1.00 0.00 ATOM 720 CE1 PHE 166 -9.118 9.976 -17.648 1.00 0.00 ATOM 721 CE2 PHE 166 -8.656 11.144 -15.628 1.00 0.00 ATOM 722 CZ PHE 166 -8.602 11.077 -16.994 1.00 0.00 ATOM 723 O PHE 166 -8.209 7.115 -12.635 1.00 0.00 ATOM 724 C PHE 166 -8.219 7.083 -13.864 1.00 0.00 ATOM 725 N VAL 167 -7.136 7.447 -14.574 1.00 0.00 ATOM 726 CA VAL 167 -5.848 7.795 -14.056 1.00 0.00 ATOM 727 CB VAL 167 -4.945 8.397 -15.148 1.00 0.00 ATOM 728 CG1 VAL 167 -3.666 8.947 -14.536 1.00 0.00 ATOM 729 CG2 VAL 167 -4.571 7.339 -16.174 1.00 0.00 ATOM 730 O VAL 167 -5.042 8.692 -12.012 1.00 0.00 ATOM 731 C VAL 167 -5.828 8.796 -12.953 1.00 0.00 ATOM 732 N ASP 168 -6.765 9.761 -12.957 1.00 0.00 ATOM 733 CA ASP 168 -7.090 10.669 -11.902 1.00 0.00 ATOM 734 CB ASP 168 -8.486 11.259 -12.113 1.00 0.00 ATOM 735 CG ASP 168 -8.815 12.350 -11.114 1.00 0.00 ATOM 736 OD1 ASP 168 -8.095 13.371 -11.090 1.00 0.00 ATOM 737 OD2 ASP 168 -9.792 12.184 -10.354 1.00 0.00 ATOM 738 O ASP 168 -6.572 10.666 -9.584 1.00 0.00 ATOM 739 C ASP 168 -7.101 10.086 -10.531 1.00 0.00 ATOM 740 N GLU 169 -7.688 8.885 -10.374 1.00 0.00 ATOM 741 CA GLU 169 -7.955 8.245 -9.124 1.00 0.00 ATOM 742 CB GLU 169 -9.338 7.592 -9.142 1.00 0.00 ATOM 743 CG GLU 169 -10.489 8.581 -9.238 1.00 0.00 ATOM 744 CD GLU 169 -11.842 7.897 -9.284 1.00 0.00 ATOM 745 OE1 GLU 169 -11.884 6.654 -9.162 1.00 0.00 ATOM 746 OE2 GLU 169 -12.859 8.604 -9.442 1.00 0.00 ATOM 747 O GLU 169 -7.124 6.495 -7.764 1.00 0.00 ATOM 748 C GLU 169 -6.979 7.172 -8.780 1.00 0.00 ATOM 749 N VAL 170 -5.907 7.000 -9.574 1.00 0.00 ATOM 750 CA VAL 170 -4.869 6.043 -9.343 1.00 0.00 ATOM 751 CB VAL 170 -4.454 5.336 -10.647 1.00 0.00 ATOM 752 CG1 VAL 170 -3.288 4.394 -10.393 1.00 0.00 ATOM 753 CG2 VAL 170 -5.613 4.526 -11.206 1.00 0.00 ATOM 754 O VAL 170 -3.479 7.926 -8.945 1.00 0.00 ATOM 755 C VAL 170 -3.668 6.720 -8.780 1.00 0.00 ATOM 756 N PHE 171 -2.834 6.012 -7.997 1.00 0.00 ATOM 757 CA PHE 171 -1.663 6.551 -7.381 1.00 0.00 ATOM 758 CB PHE 171 -1.861 6.671 -5.869 1.00 0.00 ATOM 759 CG PHE 171 -3.020 7.541 -5.477 1.00 0.00 ATOM 760 CD1 PHE 171 -4.271 6.994 -5.251 1.00 0.00 ATOM 761 CD2 PHE 171 -2.860 8.908 -5.331 1.00 0.00 ATOM 762 CE1 PHE 171 -5.338 7.795 -4.891 1.00 0.00 ATOM 763 CE2 PHE 171 -3.927 9.710 -4.970 1.00 0.00 ATOM 764 CZ PHE 171 -5.161 9.158 -4.750 1.00 0.00 ATOM 765 O PHE 171 -0.587 4.611 -8.242 1.00 0.00 ATOM 766 C PHE 171 -0.485 5.673 -7.631 1.00 0.00 ATOM 767 N LYS 172 0.718 6.126 -7.233 1.00 0.00 ATOM 768 CA LYS 172 1.968 5.621 -7.710 1.00 0.00 ATOM 769 CB LYS 172 3.101 6.593 -7.376 1.00 0.00 ATOM 770 CG LYS 172 3.017 7.921 -8.107 1.00 0.00 ATOM 771 CD LYS 172 4.194 8.819 -7.761 1.00 0.00 ATOM 772 CE LYS 172 4.071 10.176 -8.434 1.00 0.00 ATOM 773 NZ LYS 172 5.219 11.065 -8.106 1.00 0.00 ATOM 774 O LYS 172 1.852 3.770 -6.202 1.00 0.00 ATOM 775 C LYS 172 2.403 4.305 -7.163 1.00 0.00 ATOM 776 N ILE 173 3.449 3.721 -7.773 1.00 0.00 ATOM 777 CA ILE 173 4.026 2.475 -7.373 1.00 0.00 ATOM 778 CB ILE 173 5.004 1.939 -8.435 1.00 0.00 ATOM 779 CG1 ILE 173 4.248 1.551 -9.708 1.00 0.00 ATOM 780 CG2 ILE 173 5.734 0.710 -7.914 1.00 0.00 ATOM 781 CD1 ILE 173 5.149 1.266 -10.889 1.00 0.00 ATOM 782 O ILE 173 4.592 1.741 -5.203 1.00 0.00 ATOM 783 C ILE 173 4.798 2.556 -6.101 1.00 0.00 ATOM 784 N GLU 174 5.690 3.556 -5.982 1.00 0.00 ATOM 785 CA GLU 174 6.602 3.826 -4.912 1.00 0.00 ATOM 786 CB GLU 174 5.925 3.592 -3.561 1.00 0.00 ATOM 787 CG GLU 174 4.805 4.570 -3.249 1.00 0.00 ATOM 788 CD GLU 174 4.104 4.256 -1.943 1.00 0.00 ATOM 789 OE1 GLU 174 4.481 3.261 -1.290 1.00 0.00 ATOM 790 OE2 GLU 174 3.176 5.007 -1.570 1.00 0.00 ATOM 791 O GLU 174 7.679 1.758 -4.682 1.00 0.00 ATOM 792 C GLU 174 7.801 2.944 -4.985 1.00 0.00 TER END