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 3 Tue Jun 3 15:53:20 2008 MODEL 3 PARENT N/A ATOM 2 N ARG 51 -6.075 4.404 6.763 1.00 0.00 ATOM 3 CA ARG 51 -4.676 4.734 6.550 1.00 0.00 ATOM 4 CB ARG 51 -4.033 5.202 7.856 1.00 0.00 ATOM 5 CG ARG 51 -2.582 5.637 7.712 1.00 0.00 ATOM 6 CD ARG 51 -2.008 6.094 9.042 1.00 0.00 ATOM 7 NE ARG 51 -0.597 6.456 8.933 1.00 0.00 ATOM 8 CZ ARG 51 0.139 6.910 9.944 1.00 0.00 ATOM 9 NH1 ARG 51 1.414 7.215 9.752 1.00 0.00 ATOM 10 NH2 ARG 51 -0.405 7.056 11.145 1.00 0.00 ATOM 11 O ARG 51 -4.226 2.404 6.540 1.00 0.00 ATOM 12 C ARG 51 -3.945 3.482 6.042 1.00 0.00 ATOM 13 N VAL 52 -3.108 3.660 5.048 1.00 0.00 ATOM 14 CA VAL 52 -2.318 2.540 4.514 1.00 0.00 ATOM 15 CB VAL 52 -2.506 2.391 2.992 1.00 0.00 ATOM 16 CG1 VAL 52 -1.642 1.259 2.457 1.00 0.00 ATOM 17 CG2 VAL 52 -3.958 2.084 2.662 1.00 0.00 ATOM 18 O VAL 52 -0.351 3.881 4.472 1.00 0.00 ATOM 19 C VAL 52 -0.839 2.799 4.806 1.00 0.00 ATOM 20 N THR 53 -0.128 1.820 5.337 1.00 0.00 ATOM 21 CA THR 53 1.305 1.979 5.613 1.00 0.00 ATOM 22 CB THR 53 1.578 2.109 7.124 1.00 0.00 ATOM 23 CG2 THR 53 0.771 3.255 7.713 1.00 0.00 ATOM 24 OG1 THR 53 1.208 0.893 7.785 1.00 0.00 ATOM 25 O THR 53 1.347 -0.232 4.692 1.00 0.00 ATOM 26 C THR 53 2.006 0.726 5.062 1.00 0.00 ATOM 27 N ARG 54 3.337 0.739 5.096 1.00 0.00 ATOM 28 CA ARG 54 4.077 -0.428 4.612 1.00 0.00 ATOM 29 CB ARG 54 4.345 -0.307 3.111 1.00 0.00 ATOM 30 CG ARG 54 3.089 -0.304 2.254 1.00 0.00 ATOM 31 CD ARG 54 3.427 -0.166 0.778 1.00 0.00 ATOM 32 NE ARG 54 2.230 -0.030 -0.047 1.00 0.00 ATOM 33 CZ ARG 54 1.490 -1.052 -0.465 1.00 0.00 ATOM 34 NH1 ARG 54 0.416 -0.833 -1.212 1.00 0.00 ATOM 35 NH2 ARG 54 1.825 -2.293 -0.134 1.00 0.00 ATOM 36 O ARG 54 6.047 0.514 5.513 1.00 0.00 ATOM 37 C ARG 54 5.408 -0.529 5.341 1.00 0.00 ATOM 38 N LYS 55 5.858 -1.739 5.639 1.00 0.00 ATOM 39 CA LYS 55 7.165 -1.923 6.263 1.00 0.00 ATOM 40 CB LYS 55 7.258 -3.302 6.918 1.00 0.00 ATOM 41 CG LYS 55 6.334 -3.486 8.112 1.00 0.00 ATOM 42 CD LYS 55 6.468 -4.880 8.704 1.00 0.00 ATOM 43 CE LYS 55 5.565 -5.054 9.914 1.00 0.00 ATOM 44 NZ LYS 55 5.700 -6.409 10.517 1.00 0.00 ATOM 45 O LYS 55 9.432 -1.615 5.442 1.00 0.00 ATOM 46 C LYS 55 8.233 -1.794 5.159 1.00 0.00 ATOM 47 N ALA 56 7.802 -1.909 3.909 1.00 0.00 ATOM 48 CA ALA 56 8.755 -1.890 2.789 1.00 0.00 ATOM 49 CB ALA 56 8.380 -2.943 1.757 1.00 0.00 ATOM 50 O ALA 56 9.879 -0.412 1.321 1.00 0.00 ATOM 51 C ALA 56 8.869 -0.604 2.016 1.00 0.00 ATOM 52 N PRO 57 7.742 0.069 1.815 1.00 0.00 ATOM 53 CA PRO 57 7.679 1.263 1.002 1.00 0.00 ATOM 54 CB PRO 57 6.552 0.975 0.008 1.00 0.00 ATOM 55 CG PRO 57 5.601 0.108 0.763 1.00 0.00 ATOM 56 CD PRO 57 6.440 -0.716 1.699 1.00 0.00 ATOM 57 O PRO 57 6.768 2.393 2.901 1.00 0.00 ATOM 58 C PRO 57 7.369 2.504 1.856 1.00 0.00 ATOM 59 N SER 58 7.721 3.644 1.268 1.00 0.00 ATOM 60 CA SER 58 7.359 4.891 1.970 1.00 0.00 ATOM 61 CB SER 58 8.594 5.519 2.619 1.00 0.00 ATOM 62 OG SER 58 8.263 6.722 3.288 1.00 0.00 ATOM 63 O SER 58 7.335 5.847 -0.223 1.00 0.00 ATOM 64 C SER 58 6.785 5.787 0.876 1.00 0.00 ATOM 65 N ARG 59 5.604 6.324 1.141 1.00 0.00 ATOM 66 CA ARG 59 4.936 7.170 0.161 1.00 0.00 ATOM 67 CB ARG 59 3.738 7.880 0.795 1.00 0.00 ATOM 68 CG ARG 59 2.902 8.681 -0.189 1.00 0.00 ATOM 69 CD ARG 59 1.686 9.293 0.490 1.00 0.00 ATOM 70 NE ARG 59 0.774 8.272 1.000 1.00 0.00 ATOM 71 CZ ARG 59 -0.138 7.648 0.263 1.00 0.00 ATOM 72 NH1 ARG 59 -0.923 6.733 0.815 1.00 0.00 ATOM 73 NH2 ARG 59 -0.260 7.939 -1.025 1.00 0.00 ATOM 74 O ARG 59 6.481 9.023 0.322 1.00 0.00 ATOM 75 C ARG 59 5.860 8.244 -0.403 1.00 0.00 ATOM 76 N ASP 60 5.960 8.282 -1.730 1.00 0.00 ATOM 77 CA ASP 60 6.798 9.239 -2.425 1.00 0.00 ATOM 78 CB ASP 60 6.887 10.545 -1.634 1.00 0.00 ATOM 79 CG ASP 60 5.587 11.325 -1.647 1.00 0.00 ATOM 80 OD1 ASP 60 4.715 11.013 -2.485 1.00 0.00 ATOM 81 OD2 ASP 60 5.440 12.248 -0.817 1.00 0.00 ATOM 82 O ASP 60 8.961 9.401 -3.432 1.00 0.00 ATOM 83 C ASP 60 8.223 8.780 -2.649 1.00 0.00 ATOM 84 N GLU 61 8.669 7.718 -1.996 1.00 0.00 ATOM 85 CA GLU 61 10.030 7.240 -2.199 1.00 0.00 ATOM 86 CB GLU 61 10.494 6.417 -0.995 1.00 0.00 ATOM 87 CG GLU 61 10.647 7.220 0.285 1.00 0.00 ATOM 88 CD GLU 61 11.798 8.205 0.220 1.00 0.00 ATOM 89 OE1 GLU 61 12.612 8.105 -0.722 1.00 0.00 ATOM 90 OE2 GLU 61 11.884 9.077 1.110 1.00 0.00 ATOM 91 O GLU 61 9.165 5.936 -4.035 1.00 0.00 ATOM 92 C GLU 61 10.154 6.354 -3.438 1.00 0.00 ATOM 93 N PRO 62 11.405 6.057 -3.767 1.00 0.00 ATOM 94 CA PRO 62 11.726 5.192 -4.889 1.00 0.00 ATOM 95 CB PRO 62 13.237 5.358 -5.063 1.00 0.00 ATOM 96 CG PRO 62 13.726 5.766 -3.714 1.00 0.00 ATOM 97 CD PRO 62 12.625 6.588 -3.103 1.00 0.00 ATOM 98 O PRO 62 11.477 3.331 -3.378 1.00 0.00 ATOM 99 C PRO 62 11.331 3.753 -4.526 1.00 0.00 ATOM 100 N CYS 63 10.734 3.060 -5.494 1.00 0.00 ATOM 101 CA CYS 63 10.338 1.668 -5.210 1.00 0.00 ATOM 102 CB CYS 63 9.524 1.095 -6.372 1.00 0.00 ATOM 103 SG CYS 63 8.974 -0.609 -6.130 1.00 0.00 ATOM 104 O CYS 63 12.441 0.768 -5.925 1.00 0.00 ATOM 105 C CYS 63 11.607 0.840 -5.016 1.00 0.00 ATOM 106 N SER 64 11.740 0.156 -3.889 1.00 0.00 ATOM 107 CA SER 64 12.894 -0.692 -3.652 1.00 0.00 ATOM 108 CB SER 64 12.809 -1.335 -2.266 1.00 0.00 ATOM 109 OG SER 64 12.817 -0.352 -1.245 1.00 0.00 ATOM 110 O SER 64 11.958 -2.381 -5.141 1.00 0.00 ATOM 111 C SER 64 12.960 -1.795 -4.693 1.00 0.00 ATOM 112 N SER 65 14.193 -2.198 -4.993 1.00 0.00 ATOM 113 CA SER 65 14.506 -3.245 -5.958 1.00 0.00 ATOM 114 CB SER 65 16.014 -3.503 -6.000 1.00 0.00 ATOM 115 OG SER 65 16.475 -4.036 -4.769 1.00 0.00 ATOM 116 O SER 65 13.518 -5.393 -6.516 1.00 0.00 ATOM 117 C SER 65 13.840 -4.570 -5.642 1.00 0.00 ATOM 118 N THR 66 13.582 -4.839 -4.366 1.00 0.00 ATOM 119 CA THR 66 12.893 -6.056 -3.948 1.00 0.00 ATOM 120 CB THR 66 12.628 -6.062 -2.430 1.00 0.00 ATOM 121 CG2 THR 66 13.936 -5.965 -1.661 1.00 0.00 ATOM 122 OG1 THR 66 11.800 -4.944 -2.083 1.00 0.00 ATOM 123 O THR 66 11.037 -7.357 -4.779 1.00 0.00 ATOM 124 C THR 66 11.538 -6.220 -4.637 1.00 0.00 ATOM 125 N SER 67 12.030 -9.565 -14.888 1.00 0.00 ATOM 126 CA SER 67 12.260 -9.790 -16.312 1.00 0.00 ATOM 127 CB SER 67 11.240 -10.784 -16.869 1.00 0.00 ATOM 128 OG SER 67 9.929 -10.246 -16.834 1.00 0.00 ATOM 129 O SER 67 12.277 -7.403 -16.620 1.00 0.00 ATOM 130 C SER 67 12.141 -8.507 -17.128 1.00 0.00 ATOM 131 N ARG 68 11.904 -8.636 -18.427 1.00 0.00 ATOM 132 CA ARG 68 11.773 -7.489 -19.323 1.00 0.00 ATOM 133 CB ARG 68 10.533 -6.668 -18.964 1.00 0.00 ATOM 134 CG ARG 68 9.220 -7.410 -19.163 1.00 0.00 ATOM 135 CD ARG 68 8.029 -6.500 -18.909 1.00 0.00 ATOM 136 NE ARG 68 6.768 -7.237 -18.910 1.00 0.00 ATOM 137 CZ ARG 68 5.583 -6.689 -18.660 1.00 0.00 ATOM 138 NH1 ARG 68 4.489 -7.439 -18.682 1.00 0.00 ATOM 139 NH2 ARG 68 5.494 -5.394 -18.388 1.00 0.00 ATOM 140 O ARG 68 12.883 -5.374 -19.234 1.00 0.00 ATOM 141 C ARG 68 13.002 -6.595 -19.204 1.00 0.00 ATOM 142 N PRO 69 14.218 -7.162 -19.031 1.00 0.00 ATOM 143 CA PRO 69 15.419 -6.363 -18.896 1.00 0.00 ATOM 144 CB PRO 69 15.127 -5.110 -19.724 1.00 0.00 ATOM 145 CG PRO 69 13.650 -4.930 -19.618 1.00 0.00 ATOM 146 CD PRO 69 13.059 -6.312 -19.603 1.00 0.00 ATOM 147 O PRO 69 16.838 -5.335 -17.251 1.00 0.00 ATOM 148 C PRO 69 15.785 -5.957 -17.488 1.00 0.00 ATOM 149 N ALA 70 14.907 -6.241 -16.504 1.00 0.00 ATOM 150 CA ALA 70 15.171 -5.898 -15.123 1.00 0.00 ATOM 151 CB ALA 70 13.938 -5.278 -14.486 1.00 0.00 ATOM 152 O ALA 70 15.365 -8.253 -14.808 1.00 0.00 ATOM 153 C ALA 70 15.555 -7.141 -14.314 1.00 0.00 ATOM 154 N LEU 71 16.051 -6.938 -13.102 1.00 0.00 ATOM 155 CA LEU 71 16.421 -8.087 -12.272 1.00 0.00 ATOM 156 CB LEU 71 17.937 -8.296 -12.290 1.00 0.00 ATOM 157 CG LEU 71 18.542 -8.750 -13.620 1.00 0.00 ATOM 158 CD1 LEU 71 20.061 -8.703 -13.563 1.00 0.00 ATOM 159 CD2 LEU 71 18.123 -10.176 -13.942 1.00 0.00 ATOM 160 O LEU 71 16.671 -8.319 -9.888 1.00 0.00 ATOM 161 C LEU 71 16.003 -7.905 -10.832 1.00 0.00 ATOM 162 N GLU 72 14.859 -7.209 -10.652 1.00 0.00 ATOM 163 CA GLU 72 14.319 -7.056 -9.277 1.00 0.00 ATOM 164 CB GLU 72 13.142 -6.078 -9.269 1.00 0.00 ATOM 165 CG GLU 72 13.513 -4.659 -9.668 1.00 0.00 ATOM 166 CD GLU 72 12.326 -3.716 -9.634 1.00 0.00 ATOM 167 OE1 GLU 72 11.213 -4.174 -9.299 1.00 0.00 ATOM 168 OE2 GLU 72 12.508 -2.520 -9.944 1.00 0.00 ATOM 169 O GLU 72 13.670 -9.403 -9.465 1.00 0.00 ATOM 170 C GLU 72 13.840 -8.407 -8.759 1.00 0.00 ATOM 171 N GLU 73 13.593 -8.486 -7.445 1.00 0.00 ATOM 172 CA GLU 73 13.161 -9.714 -6.802 1.00 0.00 ATOM 173 CB GLU 73 13.281 -9.594 -5.282 1.00 0.00 ATOM 174 CG GLU 73 14.712 -9.555 -4.772 1.00 0.00 ATOM 175 CD GLU 73 14.792 -9.363 -3.271 1.00 0.00 ATOM 176 OE1 GLU 73 13.728 -9.219 -2.633 1.00 0.00 ATOM 177 OE2 GLU 73 15.919 -9.355 -2.731 1.00 0.00 ATOM 178 O GLU 73 11.277 -11.196 -6.849 1.00 0.00 ATOM 179 C GLU 73 11.698 -10.064 -7.120 1.00 0.00 ATOM 180 N ASP 74 10.911 -9.098 -7.573 1.00 0.00 ATOM 181 CA ASP 74 9.523 -9.328 -7.962 1.00 0.00 ATOM 182 CB ASP 74 9.443 -10.391 -9.060 1.00 0.00 ATOM 183 CG ASP 74 10.109 -9.949 -10.347 1.00 0.00 ATOM 184 OD1 ASP 74 9.803 -8.836 -10.823 1.00 0.00 ATOM 185 OD2 ASP 74 10.938 -10.716 -10.882 1.00 0.00 ATOM 186 O ASP 74 7.771 -10.650 -7.044 1.00 0.00 ATOM 187 C ASP 74 8.655 -9.811 -6.805 1.00 0.00 ATOM 188 N VAL 75 8.911 -9.303 -5.609 1.00 0.00 ATOM 189 CA VAL 75 8.092 -9.739 -4.450 1.00 0.00 ATOM 190 CB VAL 75 8.966 -10.022 -3.216 1.00 0.00 ATOM 191 CG1 VAL 75 8.101 -10.413 -2.027 1.00 0.00 ATOM 192 CG2 VAL 75 9.936 -11.161 -3.498 1.00 0.00 ATOM 193 O VAL 75 7.451 -7.489 -4.016 1.00 0.00 ATOM 194 C VAL 75 7.091 -8.654 -4.085 1.00 0.00 ATOM 195 N ILE 76 5.800 -9.018 -3.841 1.00 0.00 ATOM 196 CA ILE 76 4.841 -7.965 -3.468 1.00 0.00 ATOM 197 CB ILE 76 3.410 -8.520 -3.359 1.00 0.00 ATOM 198 CG1 ILE 76 2.919 -9.006 -4.725 1.00 0.00 ATOM 199 CG2 ILE 76 2.457 -7.443 -2.862 1.00 0.00 ATOM 200 CD1 ILE 76 1.630 -9.796 -4.665 1.00 0.00 ATOM 201 O ILE 76 5.638 -8.076 -1.199 1.00 0.00 ATOM 202 C ILE 76 5.221 -7.368 -2.123 1.00 0.00 ATOM 203 N TYR 77 5.077 -6.059 -1.930 1.00 0.00 ATOM 204 CA TYR 77 5.433 -5.434 -0.665 1.00 0.00 ATOM 205 CB TYR 77 5.555 -3.917 -0.834 1.00 0.00 ATOM 206 CG TYR 77 6.774 -3.482 -1.615 1.00 0.00 ATOM 207 CD1 TYR 77 6.680 -3.176 -2.966 1.00 0.00 ATOM 208 CD2 TYR 77 8.015 -3.381 -0.998 1.00 0.00 ATOM 209 CE1 TYR 77 7.789 -2.777 -3.687 1.00 0.00 ATOM 210 CE2 TYR 77 9.133 -2.986 -1.704 1.00 0.00 ATOM 211 CZ TYR 77 9.012 -2.683 -3.059 1.00 0.00 ATOM 212 OH TYR 77 10.119 -2.287 -3.776 1.00 0.00 ATOM 213 O TYR 77 3.222 -5.820 0.186 1.00 0.00 ATOM 214 C TYR 77 4.416 -5.666 0.464 1.00 0.00 ATOM 215 N HIS 78 4.925 -5.703 1.681 1.00 0.00 ATOM 216 CA HIS 78 4.004 -5.729 2.853 1.00 0.00 ATOM 217 CB HIS 78 4.801 -5.749 4.159 1.00 0.00 ATOM 218 CG HIS 78 3.970 -6.040 5.370 1.00 0.00 ATOM 219 CD2 HIS 78 3.730 -7.205 6.209 1.00 0.00 ATOM 220 ND1 HIS 78 3.172 -5.091 5.971 1.00 0.00 ATOM 221 CE1 HIS 78 2.551 -5.645 7.027 1.00 0.00 ATOM 222 NE2 HIS 78 2.882 -6.913 7.176 1.00 0.00 ATOM 223 O HIS 78 3.526 -3.378 2.363 1.00 0.00 ATOM 224 C HIS 78 3.133 -4.465 2.795 1.00 0.00 ATOM 225 N VAL 79 1.860 -4.610 3.172 1.00 0.00 ATOM 226 CA VAL 79 0.906 -3.507 3.255 1.00 0.00 ATOM 227 CB VAL 79 -0.036 -3.484 2.038 1.00 0.00 ATOM 228 CG1 VAL 79 -0.852 -4.767 1.972 1.00 0.00 ATOM 229 CG2 VAL 79 -0.997 -2.308 2.131 1.00 0.00 ATOM 230 O VAL 79 -0.217 -4.838 4.878 1.00 0.00 ATOM 231 C VAL 79 0.073 -3.683 4.532 1.00 0.00 ATOM 232 N LYS 80 -0.284 -2.580 5.181 1.00 0.00 ATOM 233 CA LYS 80 -1.072 -2.744 6.423 1.00 0.00 ATOM 234 CB LYS 80 -0.146 -2.806 7.640 1.00 0.00 ATOM 235 CG LYS 80 -0.858 -3.118 8.946 1.00 0.00 ATOM 236 CD LYS 80 0.131 -3.281 10.089 1.00 0.00 ATOM 237 CE LYS 80 -0.576 -3.649 11.382 1.00 0.00 ATOM 238 NZ LYS 80 0.370 -3.729 12.529 1.00 0.00 ATOM 239 O LYS 80 -1.634 -0.450 6.068 1.00 0.00 ATOM 240 C LYS 80 -1.998 -1.530 6.523 1.00 0.00 ATOM 241 N TYR 81 -3.185 -1.740 7.093 1.00 0.00 ATOM 242 CA TYR 81 -4.105 -0.607 7.165 1.00 0.00 ATOM 243 CB TYR 81 -5.149 -0.692 6.049 1.00 0.00 ATOM 244 CG TYR 81 -4.558 -0.702 4.658 1.00 0.00 ATOM 245 CD1 TYR 81 -4.240 -1.898 4.029 1.00 0.00 ATOM 246 CD2 TYR 81 -4.318 0.485 3.977 1.00 0.00 ATOM 247 CE1 TYR 81 -3.699 -1.919 2.756 1.00 0.00 ATOM 248 CE2 TYR 81 -3.779 0.485 2.706 1.00 0.00 ATOM 249 CZ TYR 81 -3.469 -0.731 2.097 1.00 0.00 ATOM 250 OH TYR 81 -2.931 -0.747 0.831 1.00 0.00 ATOM 251 O TYR 81 -4.910 -1.570 9.245 1.00 0.00 ATOM 252 C TYR 81 -4.843 -0.583 8.508 1.00 0.00 ATOM 253 N ASP 82 -5.384 0.608 8.751 1.00 0.00 ATOM 254 CA ASP 82 -6.076 0.834 10.034 1.00 0.00 ATOM 255 CB ASP 82 -5.094 1.355 11.085 1.00 0.00 ATOM 256 CG ASP 82 -4.552 2.730 10.750 1.00 0.00 ATOM 257 OD1 ASP 82 -5.122 3.390 9.854 1.00 0.00 ATOM 258 OD2 ASP 82 -3.560 3.148 11.380 1.00 0.00 ATOM 259 O ASP 82 -7.223 2.573 8.865 1.00 0.00 ATOM 260 C ASP 82 -7.192 1.863 9.864 1.00 0.00 ATOM 261 N ASP 83 -8.045 1.951 10.873 1.00 0.00 ATOM 262 CA ASP 83 -9.140 2.934 10.919 1.00 0.00 ATOM 263 CB ASP 83 -8.587 4.358 10.819 1.00 0.00 ATOM 264 CG ASP 83 -9.595 5.406 11.245 1.00 0.00 ATOM 265 OD1 ASP 83 -10.631 5.029 11.831 1.00 0.00 ATOM 266 OD2 ASP 83 -9.350 6.604 10.992 1.00 0.00 ATOM 267 O ASP 83 -10.332 3.657 8.981 1.00 0.00 ATOM 268 C ASP 83 -10.121 2.734 9.772 1.00 0.00 ATOM 269 N TYR 84 -10.729 1.546 9.741 1.00 0.00 ATOM 270 CA TYR 84 -11.646 1.213 8.661 1.00 0.00 ATOM 271 CB TYR 84 -11.752 -0.305 8.497 1.00 0.00 ATOM 272 CG TYR 84 -10.523 -0.941 7.889 1.00 0.00 ATOM 273 CD1 TYR 84 -9.548 -1.518 8.693 1.00 0.00 ATOM 274 CD2 TYR 84 -10.343 -0.965 6.513 1.00 0.00 ATOM 275 CE1 TYR 84 -8.422 -2.102 8.147 1.00 0.00 ATOM 276 CE2 TYR 84 -9.223 -1.545 5.947 1.00 0.00 ATOM 277 CZ TYR 84 -8.259 -2.117 6.777 1.00 0.00 ATOM 278 OH TYR 84 -7.139 -2.699 6.231 1.00 0.00 ATOM 279 O TYR 84 -13.500 1.740 10.072 1.00 0.00 ATOM 280 C TYR 84 -13.043 1.753 8.932 1.00 0.00 ATOM 281 N PRO 85 -13.667 2.277 7.889 1.00 0.00 ATOM 282 CA PRO 85 -14.986 2.871 8.011 1.00 0.00 ATOM 283 CB PRO 85 -15.256 3.461 6.625 1.00 0.00 ATOM 284 CG PRO 85 -13.903 3.617 6.017 1.00 0.00 ATOM 285 CD PRO 85 -13.079 2.472 6.533 1.00 0.00 ATOM 286 O PRO 85 -16.041 0.692 8.065 1.00 0.00 ATOM 287 C PRO 85 -16.050 1.882 8.376 1.00 0.00 ATOM 288 N GLU 86 -17.031 2.382 9.180 1.00 0.00 ATOM 289 CA GLU 86 -18.122 1.508 9.588 1.00 0.00 ATOM 290 CB GLU 86 -19.126 2.271 10.452 1.00 0.00 ATOM 291 CG GLU 86 -20.271 1.419 10.973 1.00 0.00 ATOM 292 CD GLU 86 -21.216 2.197 11.869 1.00 0.00 ATOM 293 OE1 GLU 86 -20.977 3.403 12.078 1.00 0.00 ATOM 294 OE2 GLU 86 -22.197 1.598 12.359 1.00 0.00 ATOM 295 O GLU 86 -18.999 1.679 7.366 1.00 0.00 ATOM 296 C GLU 86 -18.846 0.967 8.361 1.00 0.00 ATOM 297 N ASN 87 -19.263 -0.288 8.420 1.00 0.00 ATOM 298 CA ASN 87 -19.996 -0.873 7.300 1.00 0.00 ATOM 299 CB ASN 87 -20.727 0.217 6.511 1.00 0.00 ATOM 300 CG ASN 87 -21.838 0.870 7.311 1.00 0.00 ATOM 301 ND2 ASN 87 -22.099 2.142 7.030 1.00 0.00 ATOM 302 OD1 ASN 87 -22.452 0.237 8.170 1.00 0.00 ATOM 303 O ASN 87 -19.572 -2.151 5.340 1.00 0.00 ATOM 304 C ASN 87 -19.078 -1.606 6.328 1.00 0.00 ATOM 305 N GLY 88 -17.773 -1.555 6.597 1.00 0.00 ATOM 306 CA GLY 88 -16.849 -2.270 5.704 1.00 0.00 ATOM 307 O GLY 88 -17.123 -4.374 6.796 1.00 0.00 ATOM 308 C GLY 88 -17.087 -3.746 5.720 1.00 0.00 ATOM 309 N GLY 113 -17.292 -4.394 4.561 1.00 0.00 ATOM 310 CA GLY 113 -17.520 -5.820 4.498 1.00 0.00 ATOM 311 O GLY 113 -16.361 -7.825 3.877 1.00 0.00 ATOM 312 C GLY 113 -16.428 -6.594 3.767 1.00 0.00 ATOM 313 N GLN 114 -15.546 -5.888 3.055 1.00 0.00 ATOM 314 CA GLN 114 -14.416 -6.561 2.399 1.00 0.00 ATOM 315 CB GLN 114 -14.901 -7.381 1.202 1.00 0.00 ATOM 316 CG GLN 114 -15.536 -6.551 0.098 1.00 0.00 ATOM 317 CD GLN 114 -16.028 -7.399 -1.057 1.00 0.00 ATOM 318 OE1 GLN 114 -15.256 -7.770 -1.943 1.00 0.00 ATOM 319 NE2 GLN 114 -17.318 -7.710 -1.055 1.00 0.00 ATOM 320 O GLN 114 -13.732 -4.292 2.021 1.00 0.00 ATOM 321 C GLN 114 -13.429 -5.486 1.920 1.00 0.00 ATOM 322 N VAL 115 -12.256 -5.934 1.428 1.00 0.00 ATOM 323 CA VAL 115 -11.301 -4.980 0.886 1.00 0.00 ATOM 324 CB VAL 115 -10.104 -4.779 1.832 1.00 0.00 ATOM 325 CG1 VAL 115 -9.079 -3.846 1.204 1.00 0.00 ATOM 326 CG2 VAL 115 -10.561 -4.173 3.151 1.00 0.00 ATOM 327 O VAL 115 -10.737 -6.695 -0.747 1.00 0.00 ATOM 328 C VAL 115 -10.767 -5.502 -0.485 1.00 0.00 ATOM 329 N VAL 116 -10.353 -4.526 -1.268 1.00 0.00 ATOM 330 CA VAL 116 -9.683 -4.773 -2.572 1.00 0.00 ATOM 331 CB VAL 116 -10.522 -4.236 -3.747 1.00 0.00 ATOM 332 CG1 VAL 116 -9.797 -4.460 -5.065 1.00 0.00 ATOM 333 CG2 VAL 116 -11.865 -4.948 -3.810 1.00 0.00 ATOM 334 O VAL 116 -8.309 -2.895 -1.998 1.00 0.00 ATOM 335 C VAL 116 -8.343 -4.029 -2.477 1.00 0.00 ATOM 336 N MET 117 -7.259 -4.676 -2.892 1.00 0.00 ATOM 337 CA MET 117 -5.926 -4.044 -2.883 1.00 0.00 ATOM 338 CB MET 117 -4.986 -4.790 -1.934 1.00 0.00 ATOM 339 CG MET 117 -5.402 -4.728 -0.474 1.00 0.00 ATOM 340 SD MET 117 -4.292 -5.651 0.606 1.00 0.00 ATOM 341 CE MET 117 -4.710 -7.334 0.162 1.00 0.00 ATOM 342 O MET 117 -5.522 -5.171 -4.971 1.00 0.00 ATOM 343 C MET 117 -5.394 -4.112 -4.321 1.00 0.00 ATOM 344 N LEU 118 -4.832 -3.026 -4.826 1.00 0.00 ATOM 345 CA LEU 118 -4.301 -3.055 -6.192 1.00 0.00 ATOM 346 CB LEU 118 -5.286 -2.404 -7.165 1.00 0.00 ATOM 347 CG LEU 118 -5.671 -0.953 -6.868 1.00 0.00 ATOM 348 CD1 LEU 118 -4.631 0.004 -7.428 1.00 0.00 ATOM 349 CD2 LEU 118 -7.015 -0.616 -7.496 1.00 0.00 ATOM 350 O LEU 118 -2.603 -1.536 -5.383 1.00 0.00 ATOM 351 C LEU 118 -2.959 -2.290 -6.269 1.00 0.00 ATOM 352 N ASN 119 -2.260 -2.577 -7.371 1.00 0.00 ATOM 353 CA ASN 119 -1.030 -1.858 -7.695 1.00 0.00 ATOM 354 CB ASN 119 0.181 -2.786 -7.569 1.00 0.00 ATOM 355 CG ASN 119 1.491 -2.073 -7.837 1.00 0.00 ATOM 356 ND2 ASN 119 2.331 -1.979 -6.813 1.00 0.00 ATOM 357 OD1 ASN 119 1.744 -1.614 -8.951 1.00 0.00 ATOM 358 O ASN 119 -1.550 -2.259 -10.005 1.00 0.00 ATOM 359 C ASN 119 -1.266 -1.405 -9.146 1.00 0.00 ATOM 360 N TYR 120 -1.195 -0.094 -9.401 1.00 0.00 ATOM 361 CA TYR 120 -1.444 0.420 -10.751 1.00 0.00 ATOM 362 CB TYR 120 -2.818 1.087 -10.826 1.00 0.00 ATOM 363 CG TYR 120 -3.152 1.650 -12.189 1.00 0.00 ATOM 364 CD1 TYR 120 -3.552 0.817 -13.225 1.00 0.00 ATOM 365 CD2 TYR 120 -3.067 3.016 -12.433 1.00 0.00 ATOM 366 CE1 TYR 120 -3.858 1.324 -14.473 1.00 0.00 ATOM 367 CE2 TYR 120 -3.370 3.540 -13.676 1.00 0.00 ATOM 368 CZ TYR 120 -3.768 2.681 -14.698 1.00 0.00 ATOM 369 OH TYR 120 -4.074 3.187 -15.941 1.00 0.00 ATOM 370 O TYR 120 0.046 2.246 -10.315 1.00 0.00 ATOM 371 C TYR 120 -0.387 1.459 -11.146 1.00 0.00 ATOM 372 N ASN 121 -0.019 1.445 -12.415 1.00 0.00 ATOM 373 CA ASN 121 0.941 2.432 -12.958 1.00 0.00 ATOM 374 CB ASN 121 2.118 1.720 -13.630 1.00 0.00 ATOM 375 CG ASN 121 3.187 2.685 -14.103 1.00 0.00 ATOM 376 ND2 ASN 121 4.405 2.181 -14.269 1.00 0.00 ATOM 377 OD1 ASN 121 2.919 3.866 -14.318 1.00 0.00 ATOM 378 O ASN 121 -0.050 2.831 -15.115 1.00 0.00 ATOM 379 C ASN 121 0.161 3.261 -13.973 1.00 0.00 ATOM 380 N PRO 122 -0.243 4.478 -13.623 1.00 0.00 ATOM 381 CA PRO 122 -0.998 5.329 -14.513 1.00 0.00 ATOM 382 CB PRO 122 -1.512 6.450 -13.605 1.00 0.00 ATOM 383 CG PRO 122 -0.517 6.517 -12.496 1.00 0.00 ATOM 384 CD PRO 122 -0.063 5.104 -12.256 1.00 0.00 ATOM 385 O PRO 122 -0.722 6.351 -16.635 1.00 0.00 ATOM 386 C PRO 122 -0.154 5.897 -15.640 1.00 0.00 ATOM 387 N ASP 123 1.169 5.767 -15.531 1.00 0.00 ATOM 388 CA ASP 123 2.060 6.305 -16.550 1.00 0.00 ATOM 389 CB ASP 123 3.345 6.836 -15.913 1.00 0.00 ATOM 390 CG ASP 123 3.092 7.986 -14.959 1.00 0.00 ATOM 391 OD1 ASP 123 2.364 8.927 -15.343 1.00 0.00 ATOM 392 OD2 ASP 123 3.619 7.947 -13.828 1.00 0.00 ATOM 393 O ASP 123 3.248 5.759 -18.514 1.00 0.00 ATOM 394 C ASP 123 2.497 5.322 -17.607 1.00 0.00 ATOM 395 N ASN 124 2.103 4.058 -17.589 1.00 0.00 ATOM 396 CA ASN 124 2.545 3.112 -18.640 1.00 0.00 ATOM 397 CB ASN 124 2.038 1.700 -18.339 1.00 0.00 ATOM 398 CG ASN 124 2.654 0.655 -19.246 1.00 0.00 ATOM 399 ND2 ASN 124 1.936 -0.442 -19.457 1.00 0.00 ATOM 400 OD1 ASN 124 3.764 0.832 -19.751 1.00 0.00 ATOM 401 O ASN 124 0.754 3.945 -19.988 1.00 0.00 ATOM 402 C ASN 124 1.950 3.636 -19.947 1.00 0.00 ATOM 403 N PRO 125 2.707 3.656 -21.025 1.00 0.00 ATOM 404 CA PRO 125 2.253 4.220 -22.299 1.00 0.00 ATOM 405 CB PRO 125 3.548 4.590 -23.023 1.00 0.00 ATOM 406 CG PRO 125 4.536 3.568 -22.567 1.00 0.00 ATOM 407 CD PRO 125 4.219 3.296 -21.124 1.00 0.00 ATOM 408 O PRO 125 1.870 2.700 -24.130 1.00 0.00 ATOM 409 C PRO 125 1.446 3.244 -23.114 1.00 0.00 ATOM 410 N LYS 126 0.212 2.972 -22.639 1.00 0.00 ATOM 411 CA LYS 126 -0.634 2.005 -23.283 1.00 0.00 ATOM 412 CB LYS 126 -0.883 0.811 -22.360 1.00 0.00 ATOM 413 CG LYS 126 0.378 0.066 -21.956 1.00 0.00 ATOM 414 CD LYS 126 1.055 -0.569 -23.161 1.00 0.00 ATOM 415 CE LYS 126 2.261 -1.396 -22.746 1.00 0.00 ATOM 416 NZ LYS 126 2.966 -1.977 -23.920 1.00 0.00 ATOM 417 O LYS 126 -2.716 1.785 -24.376 1.00 0.00 ATOM 418 C LYS 126 -2.014 2.523 -23.685 1.00 0.00 ATOM 419 N GLU 127 -2.367 3.683 -23.169 1.00 0.00 ATOM 420 CA GLU 127 -3.698 4.241 -23.410 1.00 0.00 ATOM 421 CB GLU 127 -4.328 3.605 -24.651 1.00 0.00 ATOM 422 CG GLU 127 -3.628 3.961 -25.952 1.00 0.00 ATOM 423 CD GLU 127 -4.239 3.262 -27.153 1.00 0.00 ATOM 424 OE1 GLU 127 -5.193 2.480 -26.962 1.00 0.00 ATOM 425 OE2 GLU 127 -3.763 3.498 -28.283 1.00 0.00 ATOM 426 O GLU 127 -5.655 4.547 -22.075 1.00 0.00 ATOM 427 C GLU 127 -4.582 3.952 -22.185 1.00 0.00 ATOM 428 N ARG 128 -4.158 3.063 -21.285 1.00 0.00 ATOM 429 CA ARG 128 -5.000 2.760 -20.106 1.00 0.00 ATOM 430 CB ARG 128 -5.900 1.555 -20.385 1.00 0.00 ATOM 431 CG ARG 128 -5.144 0.261 -20.636 1.00 0.00 ATOM 432 CD ARG 128 -6.050 -0.798 -21.243 1.00 0.00 ATOM 433 NE ARG 128 -5.341 -2.055 -21.476 1.00 0.00 ATOM 434 CZ ARG 128 -4.568 -2.291 -22.532 1.00 0.00 ATOM 435 NH1 ARG 128 -3.964 -3.464 -22.662 1.00 0.00 ATOM 436 NH2 ARG 128 -4.402 -1.355 -23.455 1.00 0.00 ATOM 437 O ARG 128 -4.617 1.816 -17.933 1.00 0.00 ATOM 438 C ARG 128 -4.152 2.440 -18.894 1.00 0.00 ATOM 439 N GLY 129 -2.890 2.889 -18.852 1.00 0.00 ATOM 440 CA GLY 129 -2.024 2.579 -17.712 1.00 0.00 ATOM 441 O GLY 129 -1.767 0.372 -18.695 1.00 0.00 ATOM 442 C GLY 129 -1.698 1.069 -17.676 1.00 0.00 ATOM 443 N PHE 130 -1.416 0.552 -16.475 1.00 0.00 ATOM 444 CA PHE 130 -1.105 -0.874 -16.355 1.00 0.00 ATOM 445 CB PHE 130 0.380 -1.123 -16.626 1.00 0.00 ATOM 446 CG PHE 130 0.758 -2.577 -16.643 1.00 0.00 ATOM 447 CD1 PHE 130 0.491 -3.363 -17.751 1.00 0.00 ATOM 448 CD2 PHE 130 1.380 -3.160 -15.552 1.00 0.00 ATOM 449 CE1 PHE 130 0.839 -4.701 -17.766 1.00 0.00 ATOM 450 CE2 PHE 130 1.726 -4.497 -15.569 1.00 0.00 ATOM 451 CZ PHE 130 1.458 -5.267 -16.668 1.00 0.00 ATOM 452 O PHE 130 -0.943 -0.831 -13.960 1.00 0.00 ATOM 453 C PHE 130 -1.423 -1.389 -14.956 1.00 0.00 ATOM 454 N TRP 131 -2.267 -2.415 -14.884 1.00 0.00 ATOM 455 CA TRP 131 -2.580 -3.022 -13.569 1.00 0.00 ATOM 456 CB TRP 131 -3.954 -3.695 -13.604 1.00 0.00 ATOM 457 CG TRP 131 -5.095 -2.726 -13.666 1.00 0.00 ATOM 458 CD1 TRP 131 -5.821 -2.387 -14.771 1.00 0.00 ATOM 459 CD2 TRP 131 -5.641 -1.972 -12.578 1.00 0.00 ATOM 460 CE2 TRP 131 -6.696 -1.196 -13.096 1.00 0.00 ATOM 461 CE3 TRP 131 -5.341 -1.877 -11.215 1.00 0.00 ATOM 462 NE1 TRP 131 -6.787 -1.467 -14.439 1.00 0.00 ATOM 463 CZ2 TRP 131 -7.453 -0.336 -12.300 1.00 0.00 ATOM 464 CZ3 TRP 131 -6.093 -1.022 -10.431 1.00 0.00 ATOM 465 CH2 TRP 131 -7.136 -0.263 -10.972 1.00 0.00 ATOM 466 O TRP 131 -1.311 -4.979 -14.084 1.00 0.00 ATOM 467 C TRP 131 -1.483 -4.055 -13.297 1.00 0.00 ATOM 468 N TYR 132 -0.778 -3.945 -12.187 1.00 0.00 ATOM 469 CA TYR 132 0.273 -4.859 -11.816 1.00 0.00 ATOM 470 CB TYR 132 1.439 -4.104 -11.175 1.00 0.00 ATOM 471 CG TYR 132 2.128 -3.134 -12.107 1.00 0.00 ATOM 472 CD1 TYR 132 1.848 -1.775 -12.052 1.00 0.00 ATOM 473 CD2 TYR 132 3.054 -3.580 -13.040 1.00 0.00 ATOM 474 CE1 TYR 132 2.473 -0.880 -12.902 1.00 0.00 ATOM 475 CE2 TYR 132 3.689 -2.701 -13.897 1.00 0.00 ATOM 476 CZ TYR 132 3.390 -1.341 -13.820 1.00 0.00 ATOM 477 OH TYR 132 4.013 -0.453 -14.666 1.00 0.00 ATOM 478 O TYR 132 0.546 -6.940 -10.680 1.00 0.00 ATOM 479 C TYR 132 -0.173 -5.926 -10.810 1.00 0.00 ATOM 480 N ASP 133 -1.256 -5.681 -10.086 1.00 0.00 ATOM 481 CA ASP 133 -1.663 -6.647 -9.037 1.00 0.00 ATOM 482 CB ASP 133 -0.732 -6.546 -7.827 1.00 0.00 ATOM 483 CG ASP 133 -0.894 -7.711 -6.870 1.00 0.00 ATOM 484 OD1 ASP 133 -1.971 -7.821 -6.244 1.00 0.00 ATOM 485 OD2 ASP 133 0.054 -8.513 -6.744 1.00 0.00 ATOM 486 O ASP 133 -3.391 -5.122 -8.443 1.00 0.00 ATOM 487 C ASP 133 -3.088 -6.307 -8.621 1.00 0.00 ATOM 488 N ALA 134 -3.945 -7.319 -8.476 1.00 0.00 ATOM 489 CA ALA 134 -5.332 -7.010 -8.056 1.00 0.00 ATOM 490 CB ALA 134 -6.254 -6.968 -9.265 1.00 0.00 ATOM 491 O ALA 134 -5.661 -9.314 -7.432 1.00 0.00 ATOM 492 C ALA 134 -5.769 -8.130 -7.089 1.00 0.00 ATOM 493 N GLU 135 -6.120 -7.784 -5.860 1.00 0.00 ATOM 494 CA GLU 135 -6.551 -8.763 -4.848 1.00 0.00 ATOM 495 CB GLU 135 -5.605 -8.743 -3.646 1.00 0.00 ATOM 496 CG GLU 135 -4.196 -9.223 -3.954 1.00 0.00 ATOM 497 CD GLU 135 -3.311 -9.259 -2.725 1.00 0.00 ATOM 498 OE1 GLU 135 -3.807 -8.933 -1.625 1.00 0.00 ATOM 499 OE2 GLU 135 -2.121 -9.612 -2.861 1.00 0.00 ATOM 500 O GLU 135 -8.170 -7.212 -4.063 1.00 0.00 ATOM 501 C GLU 135 -7.961 -8.384 -4.408 1.00 0.00 ATOM 502 N ILE 136 -8.916 -9.327 -4.454 1.00 0.00 ATOM 503 CA ILE 136 -10.275 -8.955 -4.091 1.00 0.00 ATOM 504 CB ILE 136 -11.213 -8.978 -5.313 1.00 0.00 ATOM 505 CG1 ILE 136 -11.262 -10.381 -5.921 1.00 0.00 ATOM 506 CG2 ILE 136 -10.723 -8.008 -6.378 1.00 0.00 ATOM 507 CD1 ILE 136 -12.314 -10.545 -6.994 1.00 0.00 ATOM 508 O ILE 136 -10.335 -11.035 -2.860 1.00 0.00 ATOM 509 C ILE 136 -10.833 -9.935 -3.043 1.00 0.00 ATOM 510 N SER 137 -11.928 -9.477 -2.436 1.00 0.00 ATOM 511 CA SER 137 -12.642 -10.306 -1.454 1.00 0.00 ATOM 512 CB SER 137 -13.033 -11.650 -2.072 1.00 0.00 ATOM 513 OG SER 137 -13.881 -11.469 -3.193 1.00 0.00 ATOM 514 O SER 137 -11.997 -11.684 0.416 1.00 0.00 ATOM 515 C SER 137 -11.853 -10.624 -0.216 1.00 0.00 ATOM 516 N ARG 138 -10.944 -9.704 0.180 1.00 0.00 ATOM 517 CA ARG 138 -10.238 -9.893 1.463 1.00 0.00 ATOM 518 CB ARG 138 -9.112 -8.868 1.610 1.00 0.00 ATOM 519 CG ARG 138 -8.261 -9.057 2.857 1.00 0.00 ATOM 520 CD ARG 138 -7.133 -8.040 2.914 1.00 0.00 ATOM 521 NE ARG 138 -6.288 -8.227 4.091 1.00 0.00 ATOM 522 CZ ARG 138 -5.227 -7.478 4.374 1.00 0.00 ATOM 523 NH1 ARG 138 -4.517 -7.721 5.468 1.00 0.00 ATOM 524 NH2 ARG 138 -4.878 -6.489 3.563 1.00 0.00 ATOM 525 O ARG 138 -12.082 -8.725 2.448 1.00 0.00 ATOM 526 C ARG 138 -11.327 -9.692 2.529 1.00 0.00 ATOM 527 N LYS 139 -11.404 -10.557 3.522 1.00 0.00 ATOM 528 CA LYS 139 -12.481 -10.434 4.520 1.00 0.00 ATOM 529 CB LYS 139 -12.411 -11.585 5.527 1.00 0.00 ATOM 530 CG LYS 139 -12.720 -12.950 4.932 1.00 0.00 ATOM 531 CD LYS 139 -12.627 -14.043 5.984 1.00 0.00 ATOM 532 CE LYS 139 -12.997 -15.399 5.404 1.00 0.00 ATOM 533 NZ LYS 139 -12.905 -16.482 6.423 1.00 0.00 ATOM 534 O LYS 139 -11.398 -8.484 5.442 1.00 0.00 ATOM 535 C LYS 139 -12.421 -9.160 5.311 1.00 0.00 ATOM 536 N ARG 140 -13.555 -8.774 5.944 1.00 0.00 ATOM 537 CA ARG 140 -13.663 -7.562 6.719 1.00 0.00 ATOM 538 CB ARG 140 -15.037 -7.471 7.385 1.00 0.00 ATOM 539 CG ARG 140 -15.270 -8.509 8.472 1.00 0.00 ATOM 540 CD ARG 140 -16.694 -8.446 8.998 1.00 0.00 ATOM 541 NE ARG 140 -16.949 -9.468 10.010 1.00 0.00 ATOM 542 CZ ARG 140 -17.132 -10.757 9.739 1.00 0.00 ATOM 543 NH1 ARG 140 -17.357 -11.616 10.724 1.00 0.00 ATOM 544 NH2 ARG 140 -17.088 -11.184 8.484 1.00 0.00 ATOM 545 O ARG 140 -12.370 -6.254 8.228 1.00 0.00 ATOM 546 C ARG 140 -12.657 -7.395 7.844 1.00 0.00 ATOM 547 N GLU 141 -12.106 -8.461 8.389 1.00 0.00 ATOM 548 CA GLU 141 -11.152 -8.394 9.466 1.00 0.00 ATOM 549 CB GLU 141 -11.245 -9.644 10.343 1.00 0.00 ATOM 550 CG GLU 141 -12.586 -9.814 11.041 1.00 0.00 ATOM 551 CD GLU 141 -12.714 -11.154 11.737 1.00 0.00 ATOM 552 OE1 GLU 141 -11.773 -11.970 11.635 1.00 0.00 ATOM 553 OE2 GLU 141 -13.754 -11.389 12.386 1.00 0.00 ATOM 554 O GLU 141 -8.803 -8.410 9.746 1.00 0.00 ATOM 555 C GLU 141 -9.708 -8.294 8.936 1.00 0.00 ATOM 556 N THR 142 12.758 2.426 -21.197 1.00 0.00 ATOM 557 CA THR 142 14.009 3.173 -21.149 1.00 0.00 ATOM 558 CB THR 142 14.821 2.999 -22.446 1.00 0.00 ATOM 559 CG2 THR 142 16.138 3.753 -22.355 1.00 0.00 ATOM 560 OG1 THR 142 15.096 1.608 -22.656 1.00 0.00 ATOM 561 O THR 142 12.984 5.275 -21.683 1.00 0.00 ATOM 562 C THR 142 13.783 4.662 -20.968 1.00 0.00 ATOM 563 N ARG 143 14.453 5.238 -19.977 1.00 0.00 ATOM 564 CA ARG 143 14.431 6.632 -19.644 1.00 0.00 ATOM 565 CB ARG 143 14.689 7.484 -20.889 1.00 0.00 ATOM 566 CG ARG 143 15.994 7.166 -21.599 1.00 0.00 ATOM 567 CD ARG 143 16.271 8.162 -22.715 1.00 0.00 ATOM 568 NE ARG 143 15.147 8.275 -23.639 1.00 0.00 ATOM 569 CZ ARG 143 14.951 7.474 -24.680 1.00 0.00 ATOM 570 NH1 ARG 143 13.898 7.652 -25.468 1.00 0.00 ATOM 571 NH2 ARG 143 15.809 6.494 -24.933 1.00 0.00 ATOM 572 O ARG 143 12.968 8.406 -19.046 1.00 0.00 ATOM 573 C ARG 143 13.157 7.182 -19.058 1.00 0.00 ATOM 574 N THR 144 12.255 6.305 -18.600 1.00 0.00 ATOM 575 CA THR 144 10.999 6.784 -18.037 1.00 0.00 ATOM 576 CB THR 144 9.792 6.045 -18.643 1.00 0.00 ATOM 577 CG2 THR 144 9.758 6.227 -20.152 1.00 0.00 ATOM 578 OG1 THR 144 9.886 4.646 -18.345 1.00 0.00 ATOM 579 O THR 144 11.555 5.685 -15.994 1.00 0.00 ATOM 580 C THR 144 10.932 6.587 -16.536 1.00 0.00 ATOM 581 N ALA 145 10.201 7.472 -15.884 1.00 0.00 ATOM 582 CA ALA 145 9.960 7.440 -14.453 1.00 0.00 ATOM 583 CB ALA 145 10.521 8.690 -13.794 1.00 0.00 ATOM 584 O ALA 145 7.702 8.155 -14.854 1.00 0.00 ATOM 585 C ALA 145 8.440 7.372 -14.257 1.00 0.00 ATOM 586 N ARG 146 7.989 6.290 -13.628 1.00 0.00 ATOM 587 CA ARG 146 6.543 6.091 -13.469 1.00 0.00 ATOM 588 CB ARG 146 6.106 4.787 -14.135 1.00 0.00 ATOM 589 CG ARG 146 6.297 4.764 -15.643 1.00 0.00 ATOM 590 CD ARG 146 5.958 3.400 -16.222 1.00 0.00 ATOM 591 NE ARG 146 6.088 3.377 -17.677 1.00 0.00 ATOM 592 CZ ARG 146 5.972 2.281 -18.420 1.00 0.00 ATOM 593 NH1 ARG 146 6.105 2.355 -19.737 1.00 0.00 ATOM 594 NH2 ARG 146 5.721 1.113 -17.845 1.00 0.00 ATOM 595 O ARG 146 6.955 5.752 -11.119 1.00 0.00 ATOM 596 C ARG 146 6.145 6.022 -12.005 1.00 0.00 ATOM 597 N GLU 147 4.873 6.253 -11.734 1.00 0.00 ATOM 598 CA GLU 147 4.292 6.124 -10.415 1.00 0.00 ATOM 599 CB GLU 147 3.179 7.155 -10.217 1.00 0.00 ATOM 600 CG GLU 147 2.526 7.109 -8.844 1.00 0.00 ATOM 601 CD GLU 147 1.408 8.122 -8.696 1.00 0.00 ATOM 602 OE1 GLU 147 1.140 8.856 -9.670 1.00 0.00 ATOM 603 OE2 GLU 147 0.801 8.180 -7.606 1.00 0.00 ATOM 604 O GLU 147 3.145 4.229 -11.256 1.00 0.00 ATOM 605 C GLU 147 3.705 4.701 -10.266 1.00 0.00 ATOM 606 N LEU 148 3.958 4.059 -9.174 1.00 0.00 ATOM 607 CA LEU 148 3.435 2.722 -8.845 1.00 0.00 ATOM 608 CB LEU 148 4.584 1.749 -8.575 1.00 0.00 ATOM 609 CG LEU 148 5.539 1.486 -9.741 1.00 0.00 ATOM 610 CD1 LEU 148 6.704 0.615 -9.297 1.00 0.00 ATOM 611 CD2 LEU 148 4.817 0.774 -10.875 1.00 0.00 ATOM 612 O LEU 148 3.100 3.193 -6.517 1.00 0.00 ATOM 613 C LEU 148 2.587 2.943 -7.598 1.00 0.00 ATOM 614 N TYR 149 1.269 2.963 -7.813 1.00 0.00 ATOM 615 CA TYR 149 0.331 3.297 -6.757 1.00 0.00 ATOM 616 CB TYR 149 -0.795 4.179 -7.300 1.00 0.00 ATOM 617 CG TYR 149 -0.354 5.576 -7.672 1.00 0.00 ATOM 618 CD1 TYR 149 0.872 6.073 -7.246 1.00 0.00 ATOM 619 CD2 TYR 149 -1.165 6.395 -8.449 1.00 0.00 ATOM 620 CE1 TYR 149 1.283 7.348 -7.582 1.00 0.00 ATOM 621 CE2 TYR 149 -0.769 7.673 -8.796 1.00 0.00 ATOM 622 CZ TYR 149 0.466 8.146 -8.355 1.00 0.00 ATOM 623 OH TYR 149 0.874 9.416 -8.690 1.00 0.00 ATOM 624 O TYR 149 -0.909 1.262 -6.882 1.00 0.00 ATOM 625 C TYR 149 -0.308 2.049 -6.147 1.00 0.00 ATOM 626 N ALA 150 -0.083 1.884 -4.864 1.00 0.00 ATOM 627 CA ALA 150 -0.640 0.762 -4.103 1.00 0.00 ATOM 628 CB ALA 150 0.385 0.233 -3.111 1.00 0.00 ATOM 629 O ALA 150 -1.744 2.301 -2.628 1.00 0.00 ATOM 630 C ALA 150 -1.864 1.313 -3.374 1.00 0.00 ATOM 631 N ASN 151 -3.031 0.693 -3.583 1.00 0.00 ATOM 632 CA ASN 151 -4.227 1.248 -2.930 1.00 0.00 ATOM 633 CB ASN 151 -5.143 1.910 -3.961 1.00 0.00 ATOM 634 CG ASN 151 -4.488 3.091 -4.649 1.00 0.00 ATOM 635 ND2 ASN 151 -4.129 2.912 -5.915 1.00 0.00 ATOM 636 OD1 ASN 151 -4.308 4.151 -4.048 1.00 0.00 ATOM 637 O ASN 151 -5.062 -0.977 -2.699 1.00 0.00 ATOM 638 C ASN 151 -5.029 0.159 -2.216 1.00 0.00 ATOM 639 N VAL 152 -5.619 0.548 -1.090 1.00 0.00 ATOM 640 CA VAL 152 -6.521 -0.374 -0.387 1.00 0.00 ATOM 641 CB VAL 152 -6.059 -0.621 1.061 1.00 0.00 ATOM 642 CG1 VAL 152 -7.032 -1.543 1.780 1.00 0.00 ATOM 643 CG2 VAL 152 -4.683 -1.268 1.079 1.00 0.00 ATOM 644 O VAL 152 -7.977 1.532 -0.212 1.00 0.00 ATOM 645 C VAL 152 -7.901 0.319 -0.411 1.00 0.00 ATOM 646 N VAL 153 -8.932 -0.446 -0.761 1.00 0.00 ATOM 647 CA VAL 153 -10.303 0.072 -0.789 1.00 0.00 ATOM 648 CB VAL 153 -10.920 -0.041 -2.195 1.00 0.00 ATOM 649 CG1 VAL 153 -12.354 0.461 -2.189 1.00 0.00 ATOM 650 CG2 VAL 153 -10.125 0.788 -3.195 1.00 0.00 ATOM 651 O VAL 153 -11.113 -1.937 0.215 1.00 0.00 ATOM 652 C VAL 153 -11.180 -0.722 0.183 1.00 0.00 ATOM 653 N LEU 154 -11.901 -0.046 1.093 1.00 0.00 ATOM 654 CA LEU 154 -12.819 -0.708 2.010 1.00 0.00 ATOM 655 CB LEU 154 -12.878 0.039 3.343 1.00 0.00 ATOM 656 CG LEU 154 -13.828 -0.529 4.398 1.00 0.00 ATOM 657 CD1 LEU 154 -13.377 -1.914 4.838 1.00 0.00 ATOM 658 CD2 LEU 154 -13.869 0.369 5.625 1.00 0.00 ATOM 659 O LEU 154 -14.651 0.389 0.934 1.00 0.00 ATOM 660 C LEU 154 -14.207 -0.698 1.320 1.00 0.00 ATOM 661 N GLY 155 -14.774 -1.850 1.045 1.00 0.00 ATOM 662 CA GLY 155 -16.033 -1.917 0.332 1.00 0.00 ATOM 663 O GLY 155 -17.037 -2.860 2.298 1.00 0.00 ATOM 664 C GLY 155 -17.210 -2.200 1.284 1.00 0.00 ATOM 665 N ASP 156 -18.391 -1.886 0.744 1.00 0.00 ATOM 666 CA ASP 156 -19.617 -2.107 1.554 1.00 0.00 ATOM 667 CB ASP 156 -20.639 -0.999 1.293 1.00 0.00 ATOM 668 CG ASP 156 -21.784 -1.017 2.287 1.00 0.00 ATOM 669 OD1 ASP 156 -21.700 -1.773 3.277 1.00 0.00 ATOM 670 OD2 ASP 156 -22.765 -0.273 2.075 1.00 0.00 ATOM 671 O ASP 156 -21.492 -3.628 1.610 1.00 0.00 ATOM 672 C ASP 156 -20.299 -3.421 1.248 1.00 0.00 ATOM 673 N ASP 157 -19.642 -7.874 0.927 1.00 0.00 ATOM 674 CA ASP 157 -18.754 -8.948 1.327 1.00 0.00 ATOM 675 CB ASP 157 -19.548 -10.099 1.949 1.00 0.00 ATOM 676 CG ASP 157 -20.069 -9.763 3.333 1.00 0.00 ATOM 677 OD1 ASP 157 -19.624 -8.746 3.906 1.00 0.00 ATOM 678 OD2 ASP 157 -20.923 -10.518 3.845 1.00 0.00 ATOM 679 O ASP 157 -16.808 -9.989 0.384 1.00 0.00 ATOM 680 C ASP 157 -17.952 -9.546 0.190 1.00 0.00 ATOM 681 N SER 158 -18.560 -9.680 -0.974 1.00 0.00 ATOM 682 CA SER 158 -17.879 -10.291 -2.116 1.00 0.00 ATOM 683 CB SER 158 -18.266 -11.764 -2.245 1.00 0.00 ATOM 684 OG SER 158 -17.623 -12.366 -3.355 1.00 0.00 ATOM 685 O SER 158 -19.445 -9.320 -3.646 1.00 0.00 ATOM 686 C SER 158 -18.260 -9.575 -3.417 1.00 0.00 ATOM 687 N LEU 159 -17.263 -9.287 -4.254 1.00 0.00 ATOM 688 CA LEU 159 -17.607 -8.735 -5.582 1.00 0.00 ATOM 689 CB LEU 159 -16.514 -7.777 -6.063 1.00 0.00 ATOM 690 CG LEU 159 -16.266 -6.542 -5.195 1.00 0.00 ATOM 691 CD1 LEU 159 -15.108 -5.723 -5.745 1.00 0.00 ATOM 692 CD2 LEU 159 -17.500 -5.655 -5.157 1.00 0.00 ATOM 693 O LEU 159 -16.913 -10.916 -6.297 1.00 0.00 ATOM 694 C LEU 159 -17.705 -9.991 -6.449 1.00 0.00 ATOM 695 N ASN 160 -18.676 -10.044 -7.339 1.00 0.00 ATOM 696 CA ASN 160 -18.889 -11.276 -8.091 1.00 0.00 ATOM 697 CB ASN 160 -20.350 -11.389 -8.532 1.00 0.00 ATOM 698 CG ASN 160 -20.676 -12.748 -9.122 1.00 0.00 ATOM 699 ND2 ASN 160 -21.711 -12.797 -9.951 1.00 0.00 ATOM 700 OD1 ASN 160 -20.006 -13.737 -8.831 1.00 0.00 ATOM 701 O ASN 160 -18.453 -10.964 -10.431 1.00 0.00 ATOM 702 C ASN 160 -18.064 -11.416 -9.348 1.00 0.00 TER END