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 4 Tue Jun 3 15:53:20 2008 MODEL 4 PARENT N/A ATOM 2 N GLU 46 -5.479 7.821 -7.766 1.00 0.00 ATOM 3 CA GLU 46 -4.207 8.008 -7.100 1.00 0.00 ATOM 4 CB GLU 46 -3.479 9.226 -7.670 1.00 0.00 ATOM 5 CG GLU 46 -2.910 9.013 -9.064 1.00 0.00 ATOM 6 CD GLU 46 -2.193 10.238 -9.595 1.00 0.00 ATOM 7 OE1 GLU 46 -2.168 11.266 -8.885 1.00 0.00 ATOM 8 OE2 GLU 46 -1.656 10.171 -10.721 1.00 0.00 ATOM 9 O GLU 46 -5.458 8.937 -5.268 1.00 0.00 ATOM 10 C GLU 46 -4.531 8.215 -5.629 1.00 0.00 ATOM 11 N ALA 47 -3.854 7.498 -4.759 1.00 0.00 ATOM 12 CA ALA 47 -4.127 7.679 -3.352 1.00 0.00 ATOM 13 CB ALA 47 -4.572 6.366 -2.725 1.00 0.00 ATOM 14 O ALA 47 -1.755 7.759 -3.048 1.00 0.00 ATOM 15 C ALA 47 -2.861 8.160 -2.675 1.00 0.00 ATOM 16 N GLN 48 -3.012 9.033 -1.688 1.00 0.00 ATOM 17 CA GLN 48 -1.842 9.525 -0.970 1.00 0.00 ATOM 18 CB GLN 48 -2.083 10.949 -0.464 1.00 0.00 ATOM 19 CG GLN 48 -2.291 11.973 -1.570 1.00 0.00 ATOM 20 CD GLN 48 -2.538 13.367 -1.032 1.00 0.00 ATOM 21 OE1 GLN 48 -2.463 13.601 0.175 1.00 0.00 ATOM 22 NE2 GLN 48 -2.836 14.302 -1.929 1.00 0.00 ATOM 23 O GLN 48 -2.404 8.076 0.856 1.00 0.00 ATOM 24 C GLN 48 -1.501 8.655 0.246 1.00 0.00 ATOM 25 N VAL 49 -0.203 8.484 0.535 1.00 0.00 ATOM 26 CA VAL 49 0.252 7.655 1.649 1.00 0.00 ATOM 27 CB VAL 49 1.695 7.164 1.434 1.00 0.00 ATOM 28 CG1 VAL 49 2.164 6.350 2.630 1.00 0.00 ATOM 29 CG2 VAL 49 1.782 6.289 0.194 1.00 0.00 ATOM 30 O VAL 49 0.942 9.408 3.065 1.00 0.00 ATOM 31 C VAL 49 0.203 8.455 2.914 1.00 0.00 ATOM 32 N VAL 50 -0.681 8.041 3.797 1.00 0.00 ATOM 33 CA VAL 50 -0.986 8.756 5.003 1.00 0.00 ATOM 34 CB VAL 50 -2.466 8.595 5.394 1.00 0.00 ATOM 35 CG1 VAL 50 -2.740 9.267 6.731 1.00 0.00 ATOM 36 CG2 VAL 50 -3.367 9.229 4.345 1.00 0.00 ATOM 37 O VAL 50 -0.076 9.163 7.137 1.00 0.00 ATOM 38 C VAL 50 -0.218 8.349 6.234 1.00 0.00 ATOM 39 N ARG 51 0.261 7.109 6.293 1.00 0.00 ATOM 40 CA ARG 51 1.022 6.652 7.447 1.00 0.00 ATOM 41 CB ARG 51 0.099 6.453 8.653 1.00 0.00 ATOM 42 CG ARG 51 -0.940 5.361 8.465 1.00 0.00 ATOM 43 CD ARG 51 -1.824 5.221 9.693 1.00 0.00 ATOM 44 NE ARG 51 -2.945 4.314 9.461 1.00 0.00 ATOM 45 CZ ARG 51 -2.874 2.993 9.588 1.00 0.00 ATOM 46 NH1 ARG 51 -3.945 2.246 9.357 1.00 0.00 ATOM 47 NH2 ARG 51 -1.732 2.422 9.947 1.00 0.00 ATOM 48 O ARG 51 1.237 4.526 6.401 1.00 0.00 ATOM 49 C ARG 51 1.718 5.339 7.181 1.00 0.00 ATOM 50 N VAL 52 2.814 5.117 7.886 1.00 0.00 ATOM 51 CA VAL 52 3.516 3.861 7.775 1.00 0.00 ATOM 52 CB VAL 52 4.887 4.038 7.097 1.00 0.00 ATOM 53 CG1 VAL 52 5.620 2.708 7.024 1.00 0.00 ATOM 54 CG2 VAL 52 4.717 4.572 5.683 1.00 0.00 ATOM 55 O VAL 52 4.206 3.972 10.066 1.00 0.00 ATOM 56 C VAL 52 3.727 3.298 9.163 1.00 0.00 ATOM 57 N THR 53 3.319 2.065 9.342 1.00 0.00 ATOM 58 CA THR 53 3.465 1.412 10.615 1.00 0.00 ATOM 59 CB THR 53 2.131 0.815 11.099 1.00 0.00 ATOM 60 CG2 THR 53 2.311 0.137 12.450 1.00 0.00 ATOM 61 OG1 THR 53 1.157 1.857 11.230 1.00 0.00 ATOM 62 O THR 53 4.187 -0.709 9.803 1.00 0.00 ATOM 63 C THR 53 4.481 0.317 10.416 1.00 0.00 ATOM 64 N ARG 54 5.693 0.546 10.894 1.00 0.00 ATOM 65 CA ARG 54 6.747 -0.418 10.651 1.00 0.00 ATOM 66 CB ARG 54 8.119 0.249 10.765 1.00 0.00 ATOM 67 CG ARG 54 8.398 1.283 9.686 1.00 0.00 ATOM 68 CD ARG 54 9.766 1.921 9.874 1.00 0.00 ATOM 69 NE ARG 54 9.818 2.760 11.069 1.00 0.00 ATOM 70 CZ ARG 54 10.939 3.234 11.600 1.00 0.00 ATOM 71 NH1 ARG 54 10.890 3.990 12.689 1.00 0.00 ATOM 72 NH2 ARG 54 12.109 2.952 11.042 1.00 0.00 ATOM 73 O ARG 54 6.740 -1.491 12.781 1.00 0.00 ATOM 74 C ARG 54 6.823 -1.611 11.568 1.00 0.00 ATOM 75 N LYS 55 7.075 -2.757 10.964 1.00 0.00 ATOM 76 CA LYS 55 7.242 -3.966 11.732 1.00 0.00 ATOM 77 CB LYS 55 6.019 -4.873 11.575 1.00 0.00 ATOM 78 CG LYS 55 4.735 -4.283 12.138 1.00 0.00 ATOM 79 CD LYS 55 3.555 -5.215 11.909 1.00 0.00 ATOM 80 CE LYS 55 2.268 -4.621 12.461 1.00 0.00 ATOM 81 NZ LYS 55 1.121 -5.559 12.325 1.00 0.00 ATOM 82 O LYS 55 9.049 -4.367 10.234 1.00 0.00 ATOM 83 C LYS 55 8.467 -4.721 11.256 1.00 0.00 ATOM 84 N ALA 56 8.874 -5.732 12.020 1.00 0.00 ATOM 85 CA ALA 56 10.051 -6.525 11.706 1.00 0.00 ATOM 86 CB ALA 56 10.253 -7.612 12.751 1.00 0.00 ATOM 87 O ALA 56 10.954 -7.233 9.603 1.00 0.00 ATOM 88 C ALA 56 9.993 -7.231 10.356 1.00 0.00 ATOM 89 N PRO 57 8.857 -7.845 10.053 1.00 0.00 ATOM 90 CA PRO 57 8.654 -8.622 8.836 1.00 0.00 ATOM 91 CB PRO 57 8.037 -9.931 9.331 1.00 0.00 ATOM 92 CG PRO 57 7.141 -9.524 10.452 1.00 0.00 ATOM 93 CD PRO 57 7.836 -8.386 11.148 1.00 0.00 ATOM 94 O PRO 57 7.337 -8.612 6.790 1.00 0.00 ATOM 95 C PRO 57 7.729 -7.991 7.783 1.00 0.00 ATOM 96 N SER 58 7.304 -6.771 8.032 1.00 0.00 ATOM 97 CA SER 58 6.405 -6.151 7.102 1.00 0.00 ATOM 98 CB SER 58 5.045 -6.851 7.123 1.00 0.00 ATOM 99 OG SER 58 4.459 -6.789 8.410 1.00 0.00 ATOM 100 O SER 58 6.754 -4.249 8.502 1.00 0.00 ATOM 101 C SER 58 6.225 -4.702 7.490 1.00 0.00 ATOM 105 N CYS 63 -9.553 7.456 -3.100 1.00 0.00 ATOM 106 CA CYS 63 -10.652 8.173 -3.720 1.00 0.00 ATOM 107 CB CYS 63 -10.520 8.142 -5.245 1.00 0.00 ATOM 108 SG CYS 63 -11.837 9.013 -6.126 1.00 0.00 ATOM 109 O CYS 63 -12.301 6.386 -3.460 1.00 0.00 ATOM 110 C CYS 63 -12.015 7.587 -3.376 1.00 0.00 ATOM 111 N SER 64 -12.856 8.514 -2.968 1.00 0.00 ATOM 112 CA SER 64 -14.181 8.210 -2.536 1.00 0.00 ATOM 113 CB SER 64 -15.016 9.488 -2.429 1.00 0.00 ATOM 114 OG SER 64 -14.518 10.339 -1.411 1.00 0.00 ATOM 115 O SER 64 -15.633 6.356 -3.002 1.00 0.00 ATOM 116 C SER 64 -14.948 7.275 -3.463 1.00 0.00 ATOM 117 N SER 65 -14.827 7.434 -4.772 1.00 0.00 ATOM 118 CA SER 65 -15.564 6.514 -5.612 1.00 0.00 ATOM 119 CB SER 65 -15.455 6.926 -7.081 1.00 0.00 ATOM 120 OG SER 65 -14.126 6.789 -7.553 1.00 0.00 ATOM 121 O SER 65 -15.684 4.155 -5.974 1.00 0.00 ATOM 122 C SER 65 -15.056 5.095 -5.504 1.00 0.00 ATOM 123 N THR 66 -13.885 4.918 -4.913 1.00 0.00 ATOM 124 CA THR 66 -13.309 3.595 -4.848 1.00 0.00 ATOM 125 CB THR 66 -11.777 3.653 -4.709 1.00 0.00 ATOM 126 CG2 THR 66 -11.162 4.384 -5.893 1.00 0.00 ATOM 127 OG1 THR 66 -11.428 4.346 -3.504 1.00 0.00 ATOM 128 O THR 66 -13.463 1.541 -3.587 1.00 0.00 ATOM 129 C THR 66 -13.786 2.733 -3.686 1.00 0.00 ATOM 130 N SER 67 -14.555 3.365 -2.801 1.00 0.00 ATOM 131 CA SER 67 -15.066 2.743 -1.584 1.00 0.00 ATOM 132 CB SER 67 -15.520 3.811 -0.587 1.00 0.00 ATOM 133 OG SER 67 -14.428 4.605 -0.155 1.00 0.00 ATOM 134 O SER 67 -16.249 0.737 -1.141 1.00 0.00 ATOM 135 C SER 67 -16.258 1.811 -1.733 1.00 0.00 ATOM 136 N ARG 68 -17.275 2.189 -2.510 1.00 0.00 ATOM 137 CA ARG 68 -18.428 1.313 -2.653 1.00 0.00 ATOM 138 CB ARG 68 -19.393 1.865 -3.704 1.00 0.00 ATOM 139 CG ARG 68 -20.098 3.145 -3.289 1.00 0.00 ATOM 140 CD ARG 68 -21.048 3.629 -4.372 1.00 0.00 ATOM 141 NE ARG 68 -20.337 4.047 -5.577 1.00 0.00 ATOM 142 CZ ARG 68 -20.929 4.338 -6.732 1.00 0.00 ATOM 143 NH1 ARG 68 -20.199 4.709 -7.775 1.00 0.00 ATOM 144 NH2 ARG 68 -22.248 4.259 -6.839 1.00 0.00 ATOM 145 O ARG 68 -17.535 -0.311 -4.168 1.00 0.00 ATOM 146 C ARG 68 -18.070 -0.094 -3.082 1.00 0.00 ATOM 147 N PRO 69 -18.452 -1.048 -2.227 1.00 0.00 ATOM 148 CA PRO 69 -18.259 -2.474 -2.449 1.00 0.00 ATOM 149 CB PRO 69 -18.261 -2.616 -3.972 1.00 0.00 ATOM 150 CG PRO 69 -17.702 -1.325 -4.469 1.00 0.00 ATOM 151 CD PRO 69 -18.212 -0.263 -3.536 1.00 0.00 ATOM 152 O PRO 69 -16.629 -4.122 -1.796 1.00 0.00 ATOM 153 C PRO 69 -16.950 -2.935 -1.849 1.00 0.00 ATOM 154 N ALA 70 -16.181 -1.946 -1.419 1.00 0.00 ATOM 155 CA ALA 70 -14.891 -2.246 -0.862 1.00 0.00 ATOM 156 CB ALA 70 -14.066 -0.976 -0.719 1.00 0.00 ATOM 157 O ALA 70 -15.486 -2.284 1.457 1.00 0.00 ATOM 158 C ALA 70 -14.989 -2.881 0.507 1.00 0.00 ATOM 159 N LEU 71 -14.501 -4.101 0.586 1.00 0.00 ATOM 160 CA LEU 71 -14.539 -4.838 1.822 1.00 0.00 ATOM 161 CB LEU 71 -15.450 -6.060 1.689 1.00 0.00 ATOM 162 CG LEU 71 -16.919 -5.779 1.363 1.00 0.00 ATOM 163 CD1 LEU 71 -17.665 -7.076 1.088 1.00 0.00 ATOM 164 CD2 LEU 71 -17.601 -5.074 2.525 1.00 0.00 ATOM 165 O LEU 71 -12.242 -5.370 1.353 1.00 0.00 ATOM 166 C LEU 71 -13.144 -5.308 2.189 1.00 0.00 ATOM 167 N GLU 72 -12.940 -5.657 3.453 1.00 0.00 ATOM 168 CA GLU 72 -11.623 -6.159 3.811 1.00 0.00 ATOM 169 CB GLU 72 -11.556 -6.468 5.308 1.00 0.00 ATOM 170 CG GLU 72 -11.593 -5.236 6.197 1.00 0.00 ATOM 171 CD GLU 72 -11.575 -5.582 7.673 1.00 0.00 ATOM 172 OE1 GLU 72 -11.590 -6.786 8.001 1.00 0.00 ATOM 173 OE2 GLU 72 -11.547 -4.648 8.502 1.00 0.00 ATOM 174 O GLU 72 -12.247 -8.170 2.691 1.00 0.00 ATOM 175 C GLU 72 -11.337 -7.426 3.037 1.00 0.00 ATOM 176 N GLU 73 -10.063 -7.659 2.782 1.00 0.00 ATOM 177 CA GLU 73 -9.632 -8.821 2.050 1.00 0.00 ATOM 178 CB GLU 73 -10.572 -10.000 2.315 1.00 0.00 ATOM 179 CG GLU 73 -10.537 -10.511 3.746 1.00 0.00 ATOM 180 CD GLU 73 -11.517 -11.643 3.985 1.00 0.00 ATOM 181 OE1 GLU 73 -12.246 -12.006 3.038 1.00 0.00 ATOM 182 OE2 GLU 73 -11.557 -12.164 5.119 1.00 0.00 ATOM 183 O GLU 73 -9.183 -9.414 -0.234 1.00 0.00 ATOM 184 C GLU 73 -9.614 -8.578 0.547 1.00 0.00 ATOM 185 N ASP 74 -10.148 -7.450 0.116 1.00 0.00 ATOM 186 CA ASP 74 -10.149 -7.169 -1.303 1.00 0.00 ATOM 187 CB ASP 74 -11.035 -5.959 -1.608 1.00 0.00 ATOM 188 CG ASP 74 -12.513 -6.268 -1.470 1.00 0.00 ATOM 189 OD1 ASP 74 -12.861 -7.462 -1.346 1.00 0.00 ATOM 190 OD2 ASP 74 -13.323 -5.319 -1.484 1.00 0.00 ATOM 191 O ASP 74 -7.859 -6.514 -0.927 1.00 0.00 ATOM 192 C ASP 74 -8.724 -6.874 -1.746 1.00 0.00 ATOM 193 N VAL 75 -8.518 -7.033 -3.051 1.00 0.00 ATOM 194 CA VAL 75 -7.234 -6.801 -3.679 1.00 0.00 ATOM 195 CB VAL 75 -6.888 -7.913 -4.686 1.00 0.00 ATOM 196 CG1 VAL 75 -5.556 -7.626 -5.360 1.00 0.00 ATOM 197 CG2 VAL 75 -6.790 -9.258 -3.981 1.00 0.00 ATOM 198 O VAL 75 -8.039 -5.221 -5.314 1.00 0.00 ATOM 199 C VAL 75 -7.214 -5.482 -4.435 1.00 0.00 ATOM 200 N ILE 76 -6.276 -4.638 -4.049 1.00 0.00 ATOM 201 CA ILE 76 -6.079 -3.360 -4.683 1.00 0.00 ATOM 202 CB ILE 76 -6.316 -2.200 -3.697 1.00 0.00 ATOM 203 CG1 ILE 76 -6.140 -0.855 -4.405 1.00 0.00 ATOM 204 CG2 ILE 76 -5.327 -2.270 -2.545 1.00 0.00 ATOM 205 CD1 ILE 76 -6.645 0.327 -3.607 1.00 0.00 ATOM 206 O ILE 76 -3.738 -3.799 -4.527 1.00 0.00 ATOM 207 C ILE 76 -4.647 -3.296 -5.193 1.00 0.00 ATOM 208 N TYR 77 -4.449 -2.730 -6.386 1.00 0.00 ATOM 209 CA TYR 77 -3.103 -2.602 -6.918 1.00 0.00 ATOM 210 CB TYR 77 -3.117 -2.705 -8.445 1.00 0.00 ATOM 211 CG TYR 77 -3.428 -4.093 -8.961 1.00 0.00 ATOM 212 CD1 TYR 77 -4.727 -4.454 -9.295 1.00 0.00 ATOM 213 CD2 TYR 77 -2.420 -5.036 -9.115 1.00 0.00 ATOM 214 CE1 TYR 77 -5.020 -5.718 -9.769 1.00 0.00 ATOM 215 CE2 TYR 77 -2.694 -6.306 -9.587 1.00 0.00 ATOM 216 CZ TYR 77 -4.007 -6.642 -9.914 1.00 0.00 ATOM 217 OH TYR 77 -4.295 -7.901 -10.385 1.00 0.00 ATOM 218 O TYR 77 -3.168 -0.237 -6.670 1.00 0.00 ATOM 219 C TYR 77 -2.526 -1.265 -6.526 1.00 0.00 ATOM 220 N HIS 78 -1.330 -1.291 -5.989 1.00 0.00 ATOM 221 CA HIS 78 -0.629 -0.063 -5.671 1.00 0.00 ATOM 222 CB HIS 78 -0.187 -0.063 -4.206 1.00 0.00 ATOM 223 CG HIS 78 -1.323 -0.017 -3.232 1.00 0.00 ATOM 224 CD2 HIS 78 -2.731 0.346 -3.294 1.00 0.00 ATOM 225 ND1 HIS 78 -1.183 -0.375 -1.907 1.00 0.00 ATOM 226 CE1 HIS 78 -2.368 -0.230 -1.288 1.00 0.00 ATOM 227 NE2 HIS 78 -3.301 0.202 -2.114 1.00 0.00 ATOM 228 O HIS 78 1.448 -0.878 -6.482 1.00 0.00 ATOM 229 C HIS 78 0.573 -0.006 -6.588 1.00 0.00 ATOM 230 N VAL 79 -2.183 -5.742 -3.606 1.00 0.00 ATOM 231 CA VAL 79 -2.234 -5.822 -2.155 1.00 0.00 ATOM 232 CB VAL 79 -1.793 -4.499 -1.501 1.00 0.00 ATOM 233 CG1 VAL 79 -0.354 -4.176 -1.870 1.00 0.00 ATOM 234 CG2 VAL 79 -2.678 -3.353 -1.968 1.00 0.00 ATOM 235 O VAL 79 -4.613 -5.960 -2.438 1.00 0.00 ATOM 236 C VAL 79 -3.658 -6.130 -1.678 1.00 0.00 ATOM 237 N LYS 80 -3.823 -6.536 -0.408 1.00 0.00 ATOM 238 CA LYS 80 -5.151 -6.846 0.142 1.00 0.00 ATOM 239 CB LYS 80 -5.192 -8.280 0.672 1.00 0.00 ATOM 240 CG LYS 80 -5.052 -9.344 -0.404 1.00 0.00 ATOM 241 CD LYS 80 -5.142 -10.741 0.186 1.00 0.00 ATOM 242 CE LYS 80 -5.004 -11.805 -0.892 1.00 0.00 ATOM 243 NZ LYS 80 -5.099 -13.180 -0.328 1.00 0.00 ATOM 244 O LYS 80 -4.754 -5.748 2.212 1.00 0.00 ATOM 245 C LYS 80 -5.549 -5.944 1.282 1.00 0.00 ATOM 246 N TYR 81 -6.806 -5.506 1.247 1.00 0.00 ATOM 247 CA TYR 81 -7.343 -4.661 2.299 1.00 0.00 ATOM 248 CB TYR 81 -8.783 -4.257 1.979 1.00 0.00 ATOM 249 CG TYR 81 -8.907 -3.285 0.829 1.00 0.00 ATOM 250 CD1 TYR 81 -9.326 -3.715 -0.424 1.00 0.00 ATOM 251 CD2 TYR 81 -8.604 -1.939 0.998 1.00 0.00 ATOM 252 CE1 TYR 81 -9.442 -2.832 -1.481 1.00 0.00 ATOM 253 CE2 TYR 81 -8.713 -1.044 -0.048 1.00 0.00 ATOM 254 CZ TYR 81 -9.136 -1.502 -1.294 1.00 0.00 ATOM 255 OH TYR 81 -9.251 -0.622 -2.346 1.00 0.00 ATOM 256 O TYR 81 -7.760 -6.539 3.679 1.00 0.00 ATOM 257 C TYR 81 -7.337 -5.387 3.629 1.00 0.00 ATOM 258 N ASP 82 -6.847 -4.696 4.679 1.00 0.00 ATOM 259 CA ASP 82 -6.790 -5.203 6.049 1.00 0.00 ATOM 260 CB ASP 82 -5.380 -5.039 6.621 1.00 0.00 ATOM 261 CG ASP 82 -4.337 -5.804 5.832 1.00 0.00 ATOM 262 OD1 ASP 82 -4.482 -7.038 5.696 1.00 0.00 ATOM 263 OD2 ASP 82 -3.375 -5.171 5.349 1.00 0.00 ATOM 264 O ASP 82 -8.290 -5.070 7.877 1.00 0.00 ATOM 265 C ASP 82 -7.747 -4.467 6.957 1.00 0.00 ATOM 266 N ASP 83 -7.926 -3.177 6.698 1.00 0.00 ATOM 267 CA ASP 83 -8.744 -2.324 7.534 1.00 0.00 ATOM 268 CB ASP 83 -7.941 -1.816 8.733 1.00 0.00 ATOM 269 CG ASP 83 -8.826 -1.329 9.863 1.00 0.00 ATOM 270 OD1 ASP 83 -10.064 -1.437 9.738 1.00 0.00 ATOM 271 OD2 ASP 83 -8.281 -0.838 10.874 1.00 0.00 ATOM 272 O ASP 83 -8.570 -0.717 5.771 1.00 0.00 ATOM 273 C ASP 83 -9.223 -1.135 6.719 1.00 0.00 ATOM 274 N TYR 84 -10.372 -0.590 7.082 1.00 0.00 ATOM 275 CA TYR 84 -10.936 0.546 6.382 1.00 0.00 ATOM 276 CB TYR 84 -12.058 0.095 5.446 1.00 0.00 ATOM 277 CG TYR 84 -12.713 1.226 4.685 1.00 0.00 ATOM 278 CD1 TYR 84 -12.077 1.817 3.602 1.00 0.00 ATOM 279 CD2 TYR 84 -13.967 1.698 5.053 1.00 0.00 ATOM 280 CE1 TYR 84 -12.667 2.852 2.900 1.00 0.00 ATOM 281 CE2 TYR 84 -14.573 2.731 4.363 1.00 0.00 ATOM 282 CZ TYR 84 -13.911 3.307 3.280 1.00 0.00 ATOM 283 OH TYR 84 -14.503 4.336 2.584 1.00 0.00 ATOM 284 O TYR 84 -12.219 1.196 8.291 1.00 0.00 ATOM 285 C TYR 84 -11.510 1.552 7.368 1.00 0.00 ATOM 286 N PRO 85 -11.227 2.829 7.198 1.00 0.00 ATOM 287 CA PRO 85 -11.758 3.815 8.107 1.00 0.00 ATOM 288 CB PRO 85 -10.643 4.006 9.138 1.00 0.00 ATOM 289 CG PRO 85 -9.878 2.726 9.103 1.00 0.00 ATOM 290 CD PRO 85 -9.878 2.279 7.667 1.00 0.00 ATOM 291 O PRO 85 -11.154 5.875 7.097 1.00 0.00 ATOM 292 C PRO 85 -12.044 5.060 7.339 1.00 0.00 ATOM 293 N GLU 86 -13.291 5.194 6.941 1.00 0.00 ATOM 294 CA GLU 86 -13.588 6.340 6.119 1.00 0.00 ATOM 295 CB GLU 86 -13.106 7.624 6.800 1.00 0.00 ATOM 296 CG GLU 86 -13.836 7.952 8.092 1.00 0.00 ATOM 297 CD GLU 86 -13.295 9.198 8.765 1.00 0.00 ATOM 298 OE1 GLU 86 -12.351 9.807 8.218 1.00 0.00 ATOM 299 OE2 GLU 86 -13.818 9.569 9.838 1.00 0.00 ATOM 300 O GLU 86 -12.802 5.034 4.248 1.00 0.00 ATOM 301 C GLU 86 -12.856 6.134 4.798 1.00 0.00 ATOM 302 N ASN 87 -12.209 7.160 4.296 1.00 0.00 ATOM 303 CA ASN 87 -11.511 6.959 3.048 1.00 0.00 ATOM 304 CB ASN 87 -11.459 8.260 2.246 1.00 0.00 ATOM 305 CG ASN 87 -10.596 9.317 2.908 1.00 0.00 ATOM 306 ND2 ASN 87 -10.399 10.435 2.218 1.00 0.00 ATOM 307 OD1 ASN 87 -10.115 9.129 4.025 1.00 0.00 ATOM 308 O ASN 87 -9.238 6.547 2.380 1.00 0.00 ATOM 309 C ASN 87 -10.079 6.492 3.274 1.00 0.00 ATOM 310 N GLY 88 -9.801 6.048 4.501 1.00 0.00 ATOM 311 CA GLY 88 -8.484 5.555 4.880 1.00 0.00 ATOM 312 O GLY 88 -9.156 3.461 5.702 1.00 0.00 ATOM 313 C GLY 88 -8.493 4.043 4.845 1.00 0.00 ATOM 314 N VAL 89 -7.738 3.434 3.907 1.00 0.00 ATOM 315 CA VAL 89 -7.655 1.984 3.773 1.00 0.00 ATOM 316 CB VAL 89 -7.979 1.529 2.337 1.00 0.00 ATOM 317 CG1 VAL 89 -9.431 1.829 2.000 1.00 0.00 ATOM 318 CG2 VAL 89 -7.092 2.255 1.337 1.00 0.00 ATOM 319 O VAL 89 -5.273 1.926 3.652 1.00 0.00 ATOM 320 C VAL 89 -6.282 1.391 4.093 1.00 0.00 ATOM 321 N VAL 90 -3.248 -1.851 4.469 1.00 0.00 ATOM 322 CA VAL 90 -2.572 -2.951 3.787 1.00 0.00 ATOM 323 CB VAL 90 -2.287 -2.611 2.313 1.00 0.00 ATOM 324 CG1 VAL 90 -3.584 -2.337 1.568 1.00 0.00 ATOM 325 CG2 VAL 90 -1.406 -1.375 2.213 1.00 0.00 ATOM 326 O VAL 90 -0.482 -2.436 4.850 1.00 0.00 ATOM 327 C VAL 90 -1.237 -3.302 4.424 1.00 0.00 ATOM 328 N GLN 91 -0.862 -4.566 4.374 1.00 0.00 ATOM 329 CA GLN 91 0.433 -4.937 4.929 1.00 0.00 ATOM 330 CB GLN 91 0.276 -6.080 5.934 1.00 0.00 ATOM 331 CG GLN 91 -0.553 -5.722 7.157 1.00 0.00 ATOM 332 CD GLN 91 -0.738 -6.894 8.099 1.00 0.00 ATOM 333 OE1 GLN 91 -0.155 -7.961 7.901 1.00 0.00 ATOM 334 NE2 GLN 91 -1.550 -6.701 9.133 1.00 0.00 ATOM 335 O GLN 91 1.065 -6.216 3.004 1.00 0.00 ATOM 336 C GLN 91 1.388 -5.396 3.851 1.00 0.00 ATOM 337 N MET 92 2.612 -4.934 3.940 1.00 0.00 ATOM 338 CA MET 92 3.574 -5.296 2.930 1.00 0.00 ATOM 339 CB MET 92 4.191 -4.044 2.304 1.00 0.00 ATOM 340 CG MET 92 5.291 -4.332 1.296 1.00 0.00 ATOM 341 SD MET 92 4.685 -5.191 -0.169 1.00 0.00 ATOM 342 CE MET 92 3.810 -3.869 -1.000 1.00 0.00 ATOM 343 O MET 92 5.447 -5.734 4.386 1.00 0.00 ATOM 344 C MET 92 4.710 -6.133 3.491 1.00 0.00 ATOM 345 N ASN 93 4.849 -7.320 2.942 1.00 0.00 ATOM 346 CA ASN 93 5.922 -8.188 3.358 1.00 0.00 ATOM 347 CB ASN 93 5.715 -9.599 2.805 1.00 0.00 ATOM 348 CG ASN 93 4.546 -10.314 3.454 1.00 0.00 ATOM 349 ND2 ASN 93 3.977 -11.281 2.743 1.00 0.00 ATOM 350 OD1 ASN 93 4.160 -9.998 4.579 1.00 0.00 ATOM 351 O ASN 93 7.243 -7.033 1.748 1.00 0.00 ATOM 352 C ASN 93 7.207 -7.620 2.831 1.00 0.00 ATOM 353 N ALA 99 8.251 -7.780 3.623 1.00 0.00 ATOM 354 CA ALA 99 9.541 -7.221 3.288 1.00 0.00 ATOM 355 CB ALA 99 10.604 -7.726 4.252 1.00 0.00 ATOM 356 O ALA 99 10.850 -6.838 1.313 1.00 0.00 ATOM 357 C ALA 99 10.035 -7.563 1.890 1.00 0.00 ATOM 358 N ARG 100 9.524 -8.657 1.336 1.00 0.00 ATOM 359 CA ARG 100 9.901 -9.021 -0.019 1.00 0.00 ATOM 360 CB ARG 100 9.309 -10.381 -0.393 1.00 0.00 ATOM 361 CG ARG 100 9.950 -11.557 0.328 1.00 0.00 ATOM 362 CD ARG 100 9.283 -12.868 -0.052 1.00 0.00 ATOM 363 NE ARG 100 9.871 -14.005 0.653 1.00 0.00 ATOM 364 CZ ARG 100 9.459 -15.262 0.518 1.00 0.00 ATOM 365 NH1 ARG 100 10.053 -16.231 1.200 1.00 0.00 ATOM 366 NH2 ARG 100 8.453 -15.546 -0.299 1.00 0.00 ATOM 367 O ARG 100 10.102 -7.358 -1.748 1.00 0.00 ATOM 368 C ARG 100 9.366 -7.955 -0.962 1.00 0.00 ATOM 369 N ALA 101 8.068 -7.719 -0.825 1.00 0.00 ATOM 370 CA ALA 101 7.380 -6.729 -1.609 1.00 0.00 ATOM 371 CB ALA 101 5.969 -6.521 -1.080 1.00 0.00 ATOM 372 O ALA 101 8.274 -4.762 -2.622 1.00 0.00 ATOM 373 C ALA 101 8.085 -5.384 -1.579 1.00 0.00 ATOM 374 N ARG 102 8.502 -4.979 -0.380 1.00 0.00 ATOM 375 CA ARG 102 9.154 -3.695 -0.160 1.00 0.00 ATOM 376 CB ARG 102 9.445 -3.491 1.327 1.00 0.00 ATOM 377 CG ARG 102 8.208 -3.230 2.172 1.00 0.00 ATOM 378 CD ARG 102 8.581 -2.745 3.564 1.00 0.00 ATOM 379 NE ARG 102 9.303 -3.767 4.323 1.00 0.00 ATOM 380 CZ ARG 102 8.716 -4.708 5.053 1.00 0.00 ATOM 381 NH1 ARG 102 9.452 -5.594 5.709 1.00 0.00 ATOM 382 NH2 ARG 102 7.392 -4.762 5.126 1.00 0.00 ATOM 383 O ARG 102 10.799 -2.558 -1.464 1.00 0.00 ATOM 384 C ARG 102 10.459 -3.596 -0.900 1.00 0.00 ATOM 385 N THR 103 11.147 -4.718 -0.842 1.00 0.00 ATOM 386 CA THR 103 12.453 -4.919 -1.422 1.00 0.00 ATOM 387 CB THR 103 13.049 -6.277 -1.010 1.00 0.00 ATOM 388 CG2 THR 103 14.404 -6.485 -1.669 1.00 0.00 ATOM 389 OG1 THR 103 13.214 -6.317 0.412 1.00 0.00 ATOM 390 O THR 103 13.210 -4.195 -3.586 1.00 0.00 ATOM 391 C THR 103 12.423 -4.893 -2.942 1.00 0.00 ATOM 392 N ILE 104 11.497 -5.682 -3.482 1.00 0.00 ATOM 393 CA ILE 104 11.335 -5.910 -4.906 1.00 0.00 ATOM 394 CB ILE 104 10.580 -7.222 -5.185 1.00 0.00 ATOM 395 CG1 ILE 104 9.153 -7.143 -4.639 1.00 0.00 ATOM 396 CG2 ILE 104 11.286 -8.395 -4.522 1.00 0.00 ATOM 397 CD1 ILE 104 8.269 -8.293 -5.071 1.00 0.00 ATOM 398 O ILE 104 10.680 -4.804 -6.919 1.00 0.00 ATOM 399 C ILE 104 10.561 -4.851 -5.698 1.00 0.00 ATOM 400 N ILE 105 9.759 -4.029 -5.016 1.00 0.00 ATOM 401 CA ILE 105 8.944 -3.013 -5.665 1.00 0.00 ATOM 402 CB ILE 105 7.447 -3.221 -5.371 1.00 0.00 ATOM 403 CG1 ILE 105 7.179 -3.121 -3.869 1.00 0.00 ATOM 404 CG2 ILE 105 6.995 -4.591 -5.852 1.00 0.00 ATOM 405 CD1 ILE 105 5.708 -3.108 -3.510 1.00 0.00 ATOM 406 O ILE 105 10.078 -1.467 -4.224 1.00 0.00 ATOM 407 C ILE 105 9.320 -1.628 -5.180 1.00 0.00 ATOM 408 N LYS 106 8.753 -0.612 -5.819 1.00 0.00 ATOM 409 CA LYS 106 9.094 0.717 -5.413 1.00 0.00 ATOM 410 CB LYS 106 8.714 1.724 -6.502 1.00 0.00 ATOM 411 CG LYS 106 9.512 1.577 -7.786 1.00 0.00 ATOM 412 CD LYS 106 9.080 2.601 -8.824 1.00 0.00 ATOM 413 CE LYS 106 9.883 2.460 -10.107 1.00 0.00 ATOM 414 NZ LYS 106 9.445 3.433 -11.145 1.00 0.00 ATOM 415 O LYS 106 8.587 2.141 -3.607 1.00 0.00 ATOM 416 C LYS 106 8.364 1.071 -4.160 1.00 0.00 ATOM 417 N TRP 107 7.468 0.178 -3.750 1.00 0.00 ATOM 418 CA TRP 107 6.609 0.427 -2.608 1.00 0.00 ATOM 419 CB TRP 107 5.645 -0.742 -2.397 1.00 0.00 ATOM 420 CG TRP 107 4.729 -0.560 -1.227 1.00 0.00 ATOM 421 CD1 TRP 107 4.785 -1.217 -0.031 1.00 0.00 ATOM 422 CD2 TRP 107 3.618 0.341 -1.138 1.00 0.00 ATOM 423 CE2 TRP 107 3.047 0.175 0.139 1.00 0.00 ATOM 424 CE3 TRP 107 3.050 1.272 -2.013 1.00 0.00 ATOM 425 NE1 TRP 107 3.777 -0.783 0.797 1.00 0.00 ATOM 426 CZ2 TRP 107 1.936 0.904 0.563 1.00 0.00 ATOM 427 CZ3 TRP 107 1.948 1.992 -1.591 1.00 0.00 ATOM 428 CH2 TRP 107 1.402 1.807 -0.316 1.00 0.00 ATOM 429 O TRP 107 7.041 1.390 -0.465 1.00 0.00 ATOM 430 C TRP 107 7.396 0.605 -1.333 1.00 0.00 ATOM 431 N GLN 108 8.475 -0.138 -1.232 1.00 0.00 ATOM 432 CA GLN 108 9.320 -0.042 -0.065 1.00 0.00 ATOM 433 CB GLN 108 10.398 -1.129 -0.092 1.00 0.00 ATOM 434 CG GLN 108 11.448 -0.934 -1.174 1.00 0.00 ATOM 435 CD GLN 108 12.492 -2.033 -1.176 1.00 0.00 ATOM 436 OE1 GLN 108 12.448 -2.946 -0.350 1.00 0.00 ATOM 437 NE2 GLN 108 13.434 -1.951 -2.107 1.00 0.00 ATOM 438 O GLN 108 10.679 1.602 1.078 1.00 0.00 ATOM 439 C GLN 108 10.048 1.297 0.057 1.00 0.00 ATOM 440 N ASP 109 9.996 2.103 -0.996 1.00 0.00 ATOM 441 CA ASP 109 10.666 3.376 -0.933 1.00 0.00 ATOM 442 CB ASP 109 11.403 3.659 -2.244 1.00 0.00 ATOM 443 CG ASP 109 12.496 2.648 -2.527 1.00 0.00 ATOM 444 OD1 ASP 109 13.302 2.372 -1.614 1.00 0.00 ATOM 445 OD2 ASP 109 12.546 2.130 -3.664 1.00 0.00 ATOM 446 O ASP 109 10.071 5.663 -0.653 1.00 0.00 ATOM 447 C ASP 109 9.703 4.497 -0.698 1.00 0.00 ATOM 448 N LEU 110 8.443 4.178 -0.615 1.00 0.00 ATOM 449 CA LEU 110 7.538 5.274 -0.452 1.00 0.00 ATOM 450 CB LEU 110 6.088 4.793 -0.561 1.00 0.00 ATOM 451 CG LEU 110 5.668 4.214 -1.914 1.00 0.00 ATOM 452 CD1 LEU 110 4.253 3.661 -1.845 1.00 0.00 ATOM 453 CD2 LEU 110 5.709 5.283 -2.994 1.00 0.00 ATOM 454 O LEU 110 8.192 5.251 1.814 1.00 0.00 ATOM 455 C LEU 110 7.729 5.907 0.891 1.00 0.00 ATOM 456 N GLU 111 7.311 7.160 0.972 1.00 0.00 ATOM 457 CA GLU 111 7.321 7.925 2.204 1.00 0.00 ATOM 458 CB GLU 111 8.386 9.020 2.146 1.00 0.00 ATOM 459 CG GLU 111 9.811 8.497 2.053 1.00 0.00 ATOM 460 CD GLU 111 10.840 9.610 2.025 1.00 0.00 ATOM 461 OE1 GLU 111 10.438 10.792 2.042 1.00 0.00 ATOM 462 OE2 GLU 111 12.049 9.298 1.985 1.00 0.00 ATOM 463 O GLU 111 5.218 8.722 1.391 1.00 0.00 ATOM 464 C GLU 111 5.943 8.557 2.379 1.00 0.00 ATOM 465 N VAL 112 5.589 8.919 3.622 1.00 0.00 ATOM 466 CA VAL 112 4.276 9.530 3.844 1.00 0.00 ATOM 467 CB VAL 112 4.090 9.948 5.315 1.00 0.00 ATOM 468 CG1 VAL 112 2.795 10.730 5.485 1.00 0.00 ATOM 469 CG2 VAL 112 4.033 8.723 6.214 1.00 0.00 ATOM 470 O VAL 112 5.079 11.508 2.763 1.00 0.00 ATOM 471 C VAL 112 4.119 10.764 2.983 1.00 0.00 ATOM 472 N GLY 113 2.925 10.956 2.411 1.00 0.00 ATOM 473 CA GLY 113 2.688 12.120 1.580 1.00 0.00 ATOM 474 O GLY 113 2.596 12.668 -0.746 1.00 0.00 ATOM 475 C GLY 113 2.914 11.856 0.114 1.00 0.00 ATOM 476 N GLN 114 3.474 10.697 -0.144 1.00 0.00 ATOM 477 CA GLN 114 3.695 10.246 -1.496 1.00 0.00 ATOM 478 CB GLN 114 4.766 9.154 -1.529 1.00 0.00 ATOM 479 CG GLN 114 6.123 9.598 -1.006 1.00 0.00 ATOM 480 CD GLN 114 6.701 10.755 -1.795 1.00 0.00 ATOM 481 OE1 GLN 114 6.789 10.699 -3.023 1.00 0.00 ATOM 482 NE2 GLN 114 7.099 11.809 -1.093 1.00 0.00 ATOM 483 O GLN 114 1.530 9.257 -1.287 1.00 0.00 ATOM 484 C GLN 114 2.394 9.693 -2.040 1.00 0.00 ATOM 485 N VAL 115 2.276 9.673 -3.350 1.00 0.00 ATOM 486 CA VAL 115 1.090 9.183 -4.014 1.00 0.00 ATOM 487 CB VAL 115 0.511 10.229 -4.983 1.00 0.00 ATOM 488 CG1 VAL 115 -0.698 9.668 -5.715 1.00 0.00 ATOM 489 CG2 VAL 115 0.077 11.475 -4.225 1.00 0.00 ATOM 490 O VAL 115 2.320 7.722 -5.549 1.00 0.00 ATOM 491 C VAL 115 1.302 7.906 -4.860 1.00 0.00 ATOM 492 N VAL 116 0.299 7.011 -4.860 1.00 0.00 ATOM 493 CA VAL 116 0.362 5.819 -5.698 1.00 0.00 ATOM 494 CB VAL 116 0.395 4.533 -4.851 1.00 0.00 ATOM 495 CG1 VAL 116 1.635 4.507 -3.970 1.00 0.00 ATOM 496 CG2 VAL 116 -0.832 4.455 -3.955 1.00 0.00 ATOM 497 O VAL 116 -1.894 6.216 -6.341 1.00 0.00 ATOM 498 C VAL 116 -0.818 5.709 -6.615 1.00 0.00 ATOM 499 N MET 117 -0.608 4.974 -7.679 1.00 0.00 ATOM 500 CA MET 117 -1.713 4.674 -8.554 1.00 0.00 ATOM 501 CB MET 117 -1.205 4.283 -9.943 1.00 0.00 ATOM 502 CG MET 117 -0.533 5.416 -10.701 1.00 0.00 ATOM 503 SD MET 117 0.031 4.920 -12.340 1.00 0.00 ATOM 504 CE MET 117 -1.524 4.833 -13.223 1.00 0.00 ATOM 505 O MET 117 -1.871 2.549 -7.474 1.00 0.00 ATOM 506 C MET 117 -2.479 3.515 -7.929 1.00 0.00 ATOM 507 N LEU 118 -3.801 3.593 -7.938 1.00 0.00 ATOM 508 CA LEU 118 -4.618 2.527 -7.409 1.00 0.00 ATOM 509 CB LEU 118 -5.333 2.981 -6.134 1.00 0.00 ATOM 510 CG LEU 118 -4.463 3.121 -4.883 1.00 0.00 ATOM 511 CD1 LEU 118 -3.600 4.369 -4.964 1.00 0.00 ATOM 512 CD2 LEU 118 -5.329 3.220 -3.636 1.00 0.00 ATOM 513 O LEU 118 -6.221 2.854 -9.167 1.00 0.00 ATOM 514 C LEU 118 -5.682 2.071 -8.384 1.00 0.00 ATOM 515 N ASN 119 -5.936 0.768 -8.318 1.00 0.00 ATOM 516 CA ASN 119 -6.915 0.080 -9.124 1.00 0.00 ATOM 517 CB ASN 119 -6.286 -0.412 -10.428 1.00 0.00 ATOM 518 CG ASN 119 -7.290 -1.089 -11.340 1.00 0.00 ATOM 519 ND2 ASN 119 -7.580 -0.457 -12.472 1.00 0.00 ATOM 520 OD1 ASN 119 -7.799 -2.166 -11.031 1.00 0.00 ATOM 521 O ASN 119 -6.699 -1.928 -7.813 1.00 0.00 ATOM 522 C ASN 119 -7.455 -1.119 -8.347 1.00 0.00 ATOM 523 N TYR 120 -8.781 -1.232 -8.304 1.00 0.00 ATOM 524 CA TYR 120 -9.385 -2.372 -7.639 1.00 0.00 ATOM 525 CB TYR 120 -10.809 -2.036 -7.189 1.00 0.00 ATOM 526 CG TYR 120 -11.767 -1.774 -8.328 1.00 0.00 ATOM 527 CD1 TYR 120 -12.391 -2.823 -8.989 1.00 0.00 ATOM 528 CD2 TYR 120 -12.043 -0.476 -8.740 1.00 0.00 ATOM 529 CE1 TYR 120 -13.268 -2.591 -10.032 1.00 0.00 ATOM 530 CE2 TYR 120 -12.917 -0.225 -9.781 1.00 0.00 ATOM 531 CZ TYR 120 -13.530 -1.299 -10.427 1.00 0.00 ATOM 532 OH TYR 120 -14.403 -1.065 -11.466 1.00 0.00 ATOM 533 O TYR 120 -9.377 -3.370 -9.792 1.00 0.00 ATOM 534 C TYR 120 -9.440 -3.541 -8.585 1.00 0.00 ATOM 535 N ASN 121 -9.573 -4.734 -8.048 1.00 0.00 ATOM 536 CA ASN 121 -9.594 -5.879 -8.925 1.00 0.00 ATOM 537 CB ASN 121 -9.750 -7.169 -8.117 1.00 0.00 ATOM 538 CG ASN 121 -11.134 -7.315 -7.515 1.00 0.00 ATOM 539 ND2 ASN 121 -11.226 -7.147 -6.200 1.00 0.00 ATOM 540 OD1 ASN 121 -12.107 -7.572 -8.223 1.00 0.00 ATOM 541 O ASN 121 -11.766 -5.262 -9.732 1.00 0.00 ATOM 542 C ASN 121 -10.717 -5.865 -9.934 1.00 0.00 ATOM 543 N PRO 122 -10.428 -6.540 -11.031 1.00 0.00 ATOM 544 CA PRO 122 -11.299 -6.679 -12.179 1.00 0.00 ATOM 545 CB PRO 122 -10.343 -6.972 -13.336 1.00 0.00 ATOM 546 CG PRO 122 -9.175 -7.644 -12.696 1.00 0.00 ATOM 547 CD PRO 122 -9.032 -7.023 -11.334 1.00 0.00 ATOM 548 O PRO 122 -12.058 -8.916 -11.621 1.00 0.00 ATOM 549 C PRO 122 -12.330 -7.797 -12.058 1.00 0.00 ATOM 550 N ASP 123 -13.515 -7.514 -12.554 1.00 0.00 ATOM 551 CA ASP 123 -14.526 -8.528 -12.564 1.00 0.00 ATOM 552 CB ASP 123 -15.732 -8.090 -11.730 1.00 0.00 ATOM 553 CG ASP 123 -15.400 -7.941 -10.259 1.00 0.00 ATOM 554 OD1 ASP 123 -14.829 -8.889 -9.680 1.00 0.00 ATOM 555 OD2 ASP 123 -15.711 -6.876 -9.684 1.00 0.00 ATOM 556 O ASP 123 -14.745 -8.075 -14.916 1.00 0.00 ATOM 557 C ASP 123 -15.006 -8.808 -13.970 1.00 0.00 ATOM 558 N ASN 124 -15.640 -9.933 -14.141 1.00 0.00 ATOM 559 CA ASN 124 -16.031 -10.310 -15.460 1.00 0.00 ATOM 560 CB ASN 124 -16.810 -11.627 -15.433 1.00 0.00 ATOM 561 CG ASN 124 -15.922 -12.825 -15.161 1.00 0.00 ATOM 562 ND2 ASN 124 -16.528 -13.921 -14.721 1.00 0.00 ATOM 563 OD1 ASN 124 -14.706 -12.762 -15.347 1.00 0.00 ATOM 564 O ASN 124 -16.990 -9.329 -17.368 1.00 0.00 ATOM 565 C ASN 124 -16.908 -9.314 -16.151 1.00 0.00 ATOM 566 N PRO 125 -17.571 -8.475 -15.400 1.00 0.00 ATOM 567 CA PRO 125 -18.426 -7.513 -16.064 1.00 0.00 ATOM 568 CB PRO 125 -19.501 -7.194 -15.025 1.00 0.00 ATOM 569 CG PRO 125 -18.790 -7.271 -13.715 1.00 0.00 ATOM 570 CD PRO 125 -17.806 -8.400 -13.842 1.00 0.00 ATOM 571 O PRO 125 -18.276 -5.290 -17.043 1.00 0.00 ATOM 572 C PRO 125 -17.677 -6.223 -16.486 1.00 0.00 ATOM 573 N LYS 126 -16.377 -6.125 -16.178 1.00 0.00 ATOM 574 CA LYS 126 -15.648 -4.928 -16.525 1.00 0.00 ATOM 575 CB LYS 126 -14.542 -4.659 -15.501 1.00 0.00 ATOM 576 CG LYS 126 -13.715 -3.418 -15.791 1.00 0.00 ATOM 577 CD LYS 126 -12.685 -3.172 -14.701 1.00 0.00 ATOM 578 CE LYS 126 -11.855 -1.933 -14.993 1.00 0.00 ATOM 579 NZ LYS 126 -10.893 -1.636 -13.897 1.00 0.00 ATOM 580 O LYS 126 -14.488 -6.078 -18.238 1.00 0.00 ATOM 581 C LYS 126 -15.002 -5.028 -17.865 1.00 0.00 ATOM 582 N GLU 127 -14.949 -3.910 -18.579 1.00 0.00 ATOM 583 CA GLU 127 -14.231 -3.966 -19.843 1.00 0.00 ATOM 584 CB GLU 127 -14.714 -2.860 -20.784 1.00 0.00 ATOM 585 CG GLU 127 -16.167 -2.999 -21.209 1.00 0.00 ATOM 586 CD GLU 127 -16.597 -1.911 -22.174 1.00 0.00 ATOM 587 OE1 GLU 127 -15.774 -1.019 -22.470 1.00 0.00 ATOM 588 OE2 GLU 127 -17.759 -1.951 -22.634 1.00 0.00 ATOM 589 O GLU 127 -12.375 -3.136 -18.604 1.00 0.00 ATOM 590 C GLU 127 -12.769 -3.781 -19.558 1.00 0.00 ATOM 591 N ARG 128 -11.993 -4.392 -20.401 1.00 0.00 ATOM 592 CA ARG 128 -10.559 -4.323 -20.258 1.00 0.00 ATOM 593 CB ARG 128 -9.911 -5.619 -20.747 1.00 0.00 ATOM 594 CG ARG 128 -10.258 -6.841 -19.912 1.00 0.00 ATOM 595 CD ARG 128 -9.481 -8.063 -20.373 1.00 0.00 ATOM 596 NE ARG 128 -9.861 -9.265 -19.633 1.00 0.00 ATOM 597 CZ ARG 128 -9.337 -9.618 -18.463 1.00 0.00 ATOM 598 NH1 ARG 128 -9.745 -10.729 -17.863 1.00 0.00 ATOM 599 NH2 ARG 128 -8.407 -8.862 -17.898 1.00 0.00 ATOM 600 O ARG 128 -9.666 -3.321 -22.259 1.00 0.00 ATOM 601 C ARG 128 -10.025 -3.152 -21.086 1.00 0.00 ATOM 602 N GLY 129 -9.989 -1.968 -20.481 1.00 0.00 ATOM 603 CA GLY 129 -9.511 -0.781 -21.183 1.00 0.00 ATOM 604 O GLY 129 -7.684 -0.314 -22.706 1.00 0.00 ATOM 605 C GLY 129 -8.057 -0.889 -21.674 1.00 0.00 ATOM 606 N PHE 130 -7.249 -1.634 -20.905 1.00 0.00 ATOM 607 CA PHE 130 -5.836 -1.838 -21.199 1.00 0.00 ATOM 608 CB PHE 130 -4.987 -1.574 -19.954 1.00 0.00 ATOM 609 CG PHE 130 -5.078 -0.163 -19.446 1.00 0.00 ATOM 610 CD1 PHE 130 -5.849 0.139 -18.338 1.00 0.00 ATOM 611 CD2 PHE 130 -4.392 0.860 -20.076 1.00 0.00 ATOM 612 CE1 PHE 130 -5.933 1.437 -17.870 1.00 0.00 ATOM 613 CE2 PHE 130 -4.477 2.158 -19.609 1.00 0.00 ATOM 614 CZ PHE 130 -5.242 2.448 -18.510 1.00 0.00 ATOM 615 O PHE 130 -5.782 -3.659 -22.803 1.00 0.00 ATOM 616 C PHE 130 -5.512 -3.250 -21.663 1.00 0.00 ATOM 617 N TRP 131 -4.868 -3.975 -20.753 1.00 0.00 ATOM 618 CA TRP 131 -4.523 -5.357 -20.974 1.00 0.00 ATOM 619 CB TRP 131 -3.083 -5.476 -21.477 1.00 0.00 ATOM 620 CG TRP 131 -2.764 -6.815 -22.067 1.00 0.00 ATOM 621 CD1 TRP 131 -3.564 -7.919 -22.077 1.00 0.00 ATOM 622 CD2 TRP 131 -1.552 -7.191 -22.735 1.00 0.00 ATOM 623 CE2 TRP 131 -1.690 -8.538 -23.123 1.00 0.00 ATOM 624 CE3 TRP 131 -0.364 -6.522 -23.042 1.00 0.00 ATOM 625 NE1 TRP 131 -2.929 -8.961 -22.710 1.00 0.00 ATOM 626 CZ2 TRP 131 -0.687 -9.227 -23.801 1.00 0.00 ATOM 627 CZ3 TRP 131 0.629 -7.208 -23.716 1.00 0.00 ATOM 628 CH2 TRP 131 0.464 -8.546 -24.089 1.00 0.00 ATOM 629 O TRP 131 -4.729 -5.506 -18.569 1.00 0.00 ATOM 630 C TRP 131 -4.668 -6.096 -19.651 1.00 0.00 ATOM 634 N ASP 133 11.555 -3.744 -11.591 1.00 0.00 ATOM 635 CA ASP 133 11.363 -2.319 -11.687 1.00 0.00 ATOM 636 CB ASP 133 11.754 -1.636 -10.375 1.00 0.00 ATOM 637 CG ASP 133 10.745 -1.876 -9.270 1.00 0.00 ATOM 638 OD1 ASP 133 9.662 -2.427 -9.563 1.00 0.00 ATOM 639 OD2 ASP 133 11.037 -1.513 -8.111 1.00 0.00 ATOM 640 O ASP 133 13.129 -2.567 -13.239 1.00 0.00 ATOM 641 C ASP 133 12.244 -1.835 -12.812 1.00 0.00 ATOM 642 N ALA 134 11.978 -0.613 -13.264 1.00 0.00 ATOM 643 CA ALA 134 12.763 0.020 -14.299 1.00 0.00 ATOM 644 CB ALA 134 12.013 -0.004 -15.622 1.00 0.00 ATOM 645 O ALA 134 12.355 1.920 -12.947 1.00 0.00 ATOM 646 C ALA 134 13.001 1.423 -13.870 1.00 0.00 ATOM 647 N GLU 135 13.971 2.020 -14.503 1.00 0.00 ATOM 648 CA GLU 135 14.351 3.381 -14.207 1.00 0.00 ATOM 649 CB GLU 135 15.837 3.456 -13.851 1.00 0.00 ATOM 650 CG GLU 135 16.204 2.744 -12.559 1.00 0.00 ATOM 651 CD GLU 135 17.671 2.890 -12.209 1.00 0.00 ATOM 652 OE1 GLU 135 18.406 3.535 -12.988 1.00 0.00 ATOM 653 OE2 GLU 135 18.087 2.360 -11.157 1.00 0.00 ATOM 654 O GLU 135 14.405 4.050 -16.540 1.00 0.00 ATOM 655 C GLU 135 14.126 4.351 -15.371 1.00 0.00 ATOM 656 N ILE 136 13.604 5.506 -14.991 1.00 0.00 ATOM 657 CA ILE 136 13.308 6.541 -15.949 1.00 0.00 ATOM 658 CB ILE 136 12.526 7.700 -15.306 1.00 0.00 ATOM 659 CG1 ILE 136 11.165 7.212 -14.804 1.00 0.00 ATOM 660 CG2 ILE 136 12.294 8.814 -16.316 1.00 0.00 ATOM 661 CD1 ILE 136 10.423 8.229 -13.966 1.00 0.00 ATOM 662 O ILE 136 15.426 7.561 -15.651 1.00 0.00 ATOM 663 C ILE 136 14.654 7.012 -16.442 1.00 0.00 ATOM 664 N SER 137 14.964 6.667 -17.682 1.00 0.00 ATOM 665 CA SER 137 16.253 6.967 -18.270 1.00 0.00 ATOM 666 CB SER 137 16.591 5.952 -19.365 1.00 0.00 ATOM 667 OG SER 137 16.638 4.636 -18.843 1.00 0.00 ATOM 668 O SER 137 17.343 9.017 -18.871 1.00 0.00 ATOM 669 C SER 137 16.318 8.346 -18.908 1.00 0.00 ATOM 670 N ARG 138 15.229 8.753 -19.533 1.00 0.00 ATOM 671 CA ARG 138 15.226 9.992 -20.288 1.00 0.00 ATOM 672 CB ARG 138 15.945 9.807 -21.626 1.00 0.00 ATOM 673 CG ARG 138 16.180 11.100 -22.389 1.00 0.00 ATOM 674 CD ARG 138 16.930 10.846 -23.686 1.00 0.00 ATOM 675 NE ARG 138 17.016 12.048 -24.513 1.00 0.00 ATOM 676 CZ ARG 138 17.849 12.193 -25.537 1.00 0.00 ATOM 677 NH1 ARG 138 17.859 13.323 -26.231 1.00 0.00 ATOM 678 NH2 ARG 138 18.673 11.206 -25.867 1.00 0.00 ATOM 679 O ARG 138 12.963 9.602 -20.850 1.00 0.00 ATOM 680 C ARG 138 13.806 10.437 -20.565 1.00 0.00 ATOM 681 N LYS 139 13.562 11.738 -20.507 1.00 0.00 ATOM 682 CA LYS 139 12.268 12.296 -20.852 1.00 0.00 ATOM 683 CB LYS 139 11.608 12.919 -19.618 1.00 0.00 ATOM 684 CG LYS 139 10.208 13.453 -19.867 1.00 0.00 ATOM 685 CD LYS 139 9.568 13.948 -18.581 1.00 0.00 ATOM 686 CE LYS 139 8.145 14.425 -18.818 1.00 0.00 ATOM 687 NZ LYS 139 7.479 14.838 -17.553 1.00 0.00 ATOM 688 O LYS 139 12.977 14.432 -21.693 1.00 0.00 ATOM 689 C LYS 139 12.370 13.388 -21.916 1.00 0.00 ATOM 690 N ARG 140 11.718 13.160 -23.053 1.00 0.00 ATOM 691 CA ARG 140 11.624 14.123 -24.152 1.00 0.00 ATOM 692 CB ARG 140 11.852 13.426 -25.496 1.00 0.00 ATOM 693 CG ARG 140 11.876 14.369 -26.688 1.00 0.00 ATOM 694 CD ARG 140 12.166 13.620 -27.978 1.00 0.00 ATOM 695 NE ARG 140 12.132 14.501 -29.142 1.00 0.00 ATOM 696 CZ ARG 140 13.146 15.269 -29.529 1.00 0.00 ATOM 697 NH1 ARG 140 13.024 16.039 -30.601 1.00 0.00 ATOM 698 NH2 ARG 140 14.279 15.264 -28.841 1.00 0.00 ATOM 699 O ARG 140 9.280 14.221 -24.675 1.00 0.00 ATOM 700 C ARG 140 10.250 14.800 -24.208 1.00 0.00 ATOM 701 N GLU 141 10.167 16.015 -23.691 1.00 0.00 ATOM 702 CA GLU 141 8.942 16.787 -23.649 1.00 0.00 ATOM 703 CB GLU 141 8.805 17.503 -22.303 1.00 0.00 ATOM 704 CG GLU 141 7.545 18.342 -22.172 1.00 0.00 ATOM 705 CD GLU 141 7.457 19.056 -20.837 1.00 0.00 ATOM 706 OE1 GLU 141 8.374 18.881 -20.008 1.00 0.00 ATOM 707 OE2 GLU 141 6.470 19.791 -20.620 1.00 0.00 ATOM 708 O GLU 141 9.802 18.655 -24.868 1.00 0.00 ATOM 709 C GLU 141 8.878 17.851 -24.734 1.00 0.00 ATOM 710 N THR 142 7.784 17.844 -25.502 1.00 0.00 ATOM 711 CA THR 142 7.514 18.842 -26.534 1.00 0.00 ATOM 712 CB THR 142 7.642 18.241 -27.947 1.00 0.00 ATOM 713 CG2 THR 142 8.999 17.576 -28.121 1.00 0.00 ATOM 714 OG1 THR 142 6.616 17.262 -28.148 1.00 0.00 ATOM 715 O THR 142 5.411 19.042 -25.445 1.00 0.00 ATOM 716 C THR 142 6.123 19.387 -26.391 1.00 0.00 ATOM 717 N ARG 143 5.752 20.284 -27.302 1.00 0.00 ATOM 718 CA ARG 143 4.408 20.861 -27.254 1.00 0.00 ATOM 719 CB ARG 143 4.219 21.873 -28.386 1.00 0.00 ATOM 720 CG ARG 143 2.902 22.629 -28.329 1.00 0.00 ATOM 721 CD ARG 143 2.796 23.640 -29.459 1.00 0.00 ATOM 722 NE ARG 143 3.819 24.678 -29.362 1.00 0.00 ATOM 723 CZ ARG 143 3.724 25.749 -28.581 1.00 0.00 ATOM 724 NH1 ARG 143 4.704 26.641 -28.557 1.00 0.00 ATOM 725 NH2 ARG 143 2.649 25.925 -27.824 1.00 0.00 ATOM 726 O ARG 143 3.359 18.958 -28.367 1.00 0.00 ATOM 727 C ARG 143 3.358 19.727 -27.405 1.00 0.00 ATOM 728 N THR 144 2.524 19.518 -26.380 1.00 0.00 ATOM 729 CA THR 144 1.484 18.499 -26.441 1.00 0.00 ATOM 730 CB THR 144 0.755 18.517 -27.796 1.00 0.00 ATOM 731 CG2 THR 144 0.310 19.930 -28.143 1.00 0.00 ATOM 732 OG1 THR 144 1.634 18.044 -28.823 1.00 0.00 ATOM 733 O THR 144 1.078 16.132 -26.273 1.00 0.00 ATOM 734 C THR 144 1.932 17.031 -26.266 1.00 0.00 ATOM 735 N ALA 145 3.249 16.767 -26.175 1.00 0.00 ATOM 736 CA ALA 145 3.752 15.413 -26.124 1.00 0.00 ATOM 737 CB ALA 145 4.380 15.030 -27.455 1.00 0.00 ATOM 738 O ALA 145 5.522 16.082 -24.648 1.00 0.00 ATOM 739 C ALA 145 4.813 15.171 -25.067 1.00 0.00 ATOM 740 N ARG 146 4.912 13.903 -24.660 1.00 0.00 ATOM 741 CA ARG 146 5.863 13.415 -23.661 1.00 0.00 ATOM 742 CB ARG 146 5.272 13.539 -22.255 1.00 0.00 ATOM 743 CG ARG 146 5.013 14.970 -21.815 1.00 0.00 ATOM 744 CD ARG 146 4.436 15.019 -20.408 1.00 0.00 ATOM 745 NE ARG 146 3.122 14.387 -20.334 1.00 0.00 ATOM 746 CZ ARG 146 2.468 14.154 -19.200 1.00 0.00 ATOM 747 NH1 ARG 146 1.276 13.574 -19.228 1.00 0.00 ATOM 748 NH2 ARG 146 3.007 14.502 -18.041 1.00 0.00 ATOM 749 O ARG 146 5.315 11.115 -24.003 1.00 0.00 ATOM 750 C ARG 146 6.194 11.963 -23.918 1.00 0.00 ATOM 751 N GLU 147 7.474 11.690 -24.094 1.00 0.00 ATOM 752 CA GLU 147 7.972 10.364 -24.366 1.00 0.00 ATOM 753 CB GLU 147 8.632 10.313 -25.745 1.00 0.00 ATOM 754 CG GLU 147 9.132 8.933 -26.143 1.00 0.00 ATOM 755 CD GLU 147 9.775 8.919 -27.515 1.00 0.00 ATOM 756 OE1 GLU 147 9.895 10.002 -28.126 1.00 0.00 ATOM 757 OE2 GLU 147 10.159 7.826 -27.980 1.00 0.00 ATOM 758 O GLU 147 9.946 10.757 -23.110 1.00 0.00 ATOM 759 C GLU 147 9.001 9.993 -23.305 1.00 0.00 ATOM 760 N LEU 148 8.777 8.874 -22.601 1.00 0.00 ATOM 761 CA LEU 148 9.670 8.395 -21.565 1.00 0.00 ATOM 762 CB LEU 148 8.900 8.149 -20.266 1.00 0.00 ATOM 763 CG LEU 148 8.186 9.358 -19.661 1.00 0.00 ATOM 764 CD1 LEU 148 7.392 8.953 -18.428 1.00 0.00 ATOM 765 CD2 LEU 148 9.189 10.426 -19.250 1.00 0.00 ATOM 766 O LEU 148 9.762 6.218 -22.586 1.00 0.00 ATOM 767 C LEU 148 10.342 7.106 -21.945 1.00 0.00 ATOM 768 N TYR 149 11.627 7.066 -21.595 1.00 0.00 ATOM 769 CA TYR 149 12.471 5.919 -21.851 1.00 0.00 ATOM 770 CB TYR 149 13.766 6.351 -22.544 1.00 0.00 ATOM 771 CG TYR 149 13.564 6.881 -23.945 1.00 0.00 ATOM 772 CD1 TYR 149 13.367 8.238 -24.171 1.00 0.00 ATOM 773 CD2 TYR 149 13.571 6.025 -25.038 1.00 0.00 ATOM 774 CE1 TYR 149 13.182 8.731 -25.448 1.00 0.00 ATOM 775 CE2 TYR 149 13.387 6.500 -26.322 1.00 0.00 ATOM 776 CZ TYR 149 13.192 7.867 -26.521 1.00 0.00 ATOM 777 OH TYR 149 13.009 8.355 -27.793 1.00 0.00 ATOM 778 O TYR 149 13.159 5.942 -19.566 1.00 0.00 ATOM 779 C TYR 149 12.796 5.270 -20.536 1.00 0.00 ATOM 780 N ALA 150 12.672 3.949 -20.529 1.00 0.00 ATOM 781 CA ALA 150 12.940 3.224 -19.303 1.00 0.00 ATOM 782 CB ALA 150 11.707 2.447 -18.866 1.00 0.00 ATOM 783 O ALA 150 14.223 1.615 -20.533 1.00 0.00 ATOM 784 C ALA 150 14.067 2.253 -19.502 1.00 0.00 ATOM 785 N ASN 151 14.843 2.122 -18.449 1.00 0.00 ATOM 786 CA ASN 151 15.872 1.126 -18.552 1.00 0.00 ATOM 787 CB ASN 151 17.226 1.712 -18.150 1.00 0.00 ATOM 788 CG ASN 151 18.358 0.712 -18.291 1.00 0.00 ATOM 789 ND2 ASN 151 19.585 1.215 -18.357 1.00 0.00 ATOM 790 OD1 ASN 151 18.128 -0.497 -18.340 1.00 0.00 ATOM 791 O ASN 151 15.376 0.033 -16.452 1.00 0.00 ATOM 792 C ASN 151 15.607 -0.085 -17.648 1.00 0.00 ATOM 793 N VAL 152 15.581 -1.232 -18.291 1.00 0.00 ATOM 794 CA VAL 152 15.301 -2.466 -17.648 1.00 0.00 ATOM 795 CB VAL 152 14.974 -3.572 -18.669 1.00 0.00 ATOM 796 CG1 VAL 152 14.697 -4.888 -17.956 1.00 0.00 ATOM 797 CG2 VAL 152 13.746 -3.199 -19.485 1.00 0.00 ATOM 798 O VAL 152 17.632 -2.815 -17.262 1.00 0.00 ATOM 799 C VAL 152 16.488 -2.905 -16.844 1.00 0.00 TER END