PFRMAT TS TARGET T0557 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 T0557 model 3 Mon May 24 20:34:28 2010 MODEL 3 PARENT N/A ATOM 2 N VAL 14 18.025 -4.345 7.824 1.00 0.00 ATOM 3 CA VAL 14 18.138 -5.591 8.566 1.00 0.00 ATOM 4 CB VAL 14 19.611 -5.988 8.783 1.00 0.00 ATOM 5 CG1 VAL 14 19.706 -7.209 9.684 1.00 0.00 ATOM 6 CG2 VAL 14 20.293 -6.251 7.449 1.00 0.00 ATOM 7 O VAL 14 17.648 -4.665 10.735 1.00 0.00 ATOM 8 C VAL 14 17.447 -5.573 9.933 1.00 0.00 ATOM 9 N ASP 15 16.615 -6.592 10.156 1.00 0.00 ATOM 10 CA ASP 15 15.860 -6.811 11.400 1.00 0.00 ATOM 11 CB ASP 15 16.812 -6.921 12.593 1.00 0.00 ATOM 12 CG ASP 15 17.872 -7.987 12.396 1.00 0.00 ATOM 13 OD1 ASP 15 17.501 -9.158 12.169 1.00 0.00 ATOM 14 OD2 ASP 15 19.073 -7.650 12.467 1.00 0.00 ATOM 15 O ASP 15 14.284 -5.727 12.832 1.00 0.00 ATOM 16 C ASP 15 14.821 -5.738 11.729 1.00 0.00 ATOM 17 N GLU 16 14.481 -4.881 10.762 1.00 0.00 ATOM 18 CA GLU 16 13.509 -3.810 11.006 1.00 0.00 ATOM 19 CB GLU 16 14.080 -2.459 10.573 1.00 0.00 ATOM 20 CG GLU 16 15.404 -2.105 11.232 1.00 0.00 ATOM 21 CD GLU 16 15.245 -1.704 12.685 1.00 0.00 ATOM 22 OE1 GLU 16 14.106 -1.396 13.094 1.00 0.00 ATOM 23 OE2 GLU 16 16.259 -1.698 13.414 1.00 0.00 ATOM 24 O GLU 16 12.086 -4.582 9.219 1.00 0.00 ATOM 25 C GLU 16 12.171 -4.010 10.310 1.00 0.00 ATOM 26 N SER 17 11.121 -3.510 10.955 1.00 0.00 ATOM 27 CA SER 17 9.752 -3.461 10.433 1.00 0.00 ATOM 28 CB SER 17 8.742 -3.424 11.581 1.00 0.00 ATOM 29 OG SER 17 8.769 -4.631 12.324 1.00 0.00 ATOM 30 O SER 17 9.092 -1.217 9.903 1.00 0.00 ATOM 31 C SER 17 9.693 -2.226 9.553 1.00 0.00 ATOM 32 N ALA 18 10.353 -2.308 8.404 1.00 0.00 ATOM 33 CA ALA 18 10.555 -1.152 7.549 1.00 0.00 ATOM 34 CB ALA 18 11.880 -1.263 6.810 1.00 0.00 ATOM 35 O ALA 18 8.777 -1.926 6.174 1.00 0.00 ATOM 36 C ALA 18 9.443 -0.963 6.548 1.00 0.00 ATOM 40 N GLU 21 6.293 4.820 2.474 1.00 0.00 ATOM 41 CA GLU 21 5.041 5.542 2.711 1.00 0.00 ATOM 42 CB GLU 21 5.033 6.156 4.113 1.00 0.00 ATOM 43 CG GLU 21 6.037 7.281 4.303 1.00 0.00 ATOM 44 CD GLU 21 7.431 6.773 4.617 1.00 0.00 ATOM 45 OE1 GLU 21 7.722 5.601 4.298 1.00 0.00 ATOM 46 OE2 GLU 21 8.230 7.546 5.185 1.00 0.00 ATOM 47 O GLU 21 5.659 7.599 1.600 1.00 0.00 ATOM 48 C GLU 21 4.918 6.602 1.616 1.00 0.00 ATOM 49 N ALA 22 4.025 6.350 0.664 1.00 0.00 ATOM 50 CA ALA 22 3.996 7.123 -0.561 1.00 0.00 ATOM 51 CB ALA 22 3.601 6.240 -1.735 1.00 0.00 ATOM 52 O ALA 22 1.792 8.104 -0.359 1.00 0.00 ATOM 53 C ALA 22 3.023 8.282 -0.390 1.00 0.00 ATOM 54 N LYS 23 3.618 9.458 -0.247 1.00 0.00 ATOM 55 CA LYS 23 2.936 10.729 0.028 1.00 0.00 ATOM 56 CB LYS 23 3.837 11.654 0.848 1.00 0.00 ATOM 57 CG LYS 23 3.375 13.101 0.882 1.00 0.00 ATOM 58 CD LYS 23 2.169 13.274 1.792 1.00 0.00 ATOM 59 CE LYS 23 1.750 14.732 1.883 1.00 0.00 ATOM 60 NZ LYS 23 0.747 14.956 2.959 1.00 0.00 ATOM 61 O LYS 23 3.313 11.536 -2.194 1.00 0.00 ATOM 62 C LYS 23 2.521 11.410 -1.265 1.00 0.00 ATOM 63 N ARG 24 1.253 11.819 -1.309 1.00 0.00 ATOM 64 CA ARG 24 0.710 12.626 -2.405 1.00 0.00 ATOM 65 CB ARG 24 -0.799 12.409 -2.534 1.00 0.00 ATOM 66 CG ARG 24 -1.439 13.167 -3.685 1.00 0.00 ATOM 67 CD ARG 24 -2.917 12.836 -3.809 1.00 0.00 ATOM 68 NE ARG 24 -3.551 13.566 -4.905 1.00 0.00 ATOM 69 CZ ARG 24 -4.844 13.493 -5.203 1.00 0.00 ATOM 70 NH1 ARG 24 -5.331 14.192 -6.218 1.00 0.00 ATOM 71 NH2 ARG 24 -5.647 12.721 -4.483 1.00 0.00 ATOM 72 O ARG 24 0.531 14.682 -1.202 1.00 0.00 ATOM 73 C ARG 24 1.030 14.095 -2.158 1.00 0.00 ATOM 74 N ALA 25 1.859 14.667 -3.033 1.00 0.00 ATOM 75 CA ALA 25 2.193 16.092 -2.999 1.00 0.00 ATOM 76 CB ALA 25 3.674 16.297 -3.278 1.00 0.00 ATOM 77 O ALA 25 1.513 18.135 -4.030 1.00 0.00 ATOM 78 C ALA 25 1.377 16.910 -3.991 1.00 0.00 ATOM 79 N SER 26 -2.115 16.843 -4.147 1.00 0.00 ATOM 80 CA SER 26 -3.263 17.324 -3.363 1.00 0.00 ATOM 81 CB SER 26 -4.552 16.637 -3.820 1.00 0.00 ATOM 82 OG SER 26 -5.667 17.098 -3.077 1.00 0.00 ATOM 83 O SER 26 -2.091 16.256 -1.587 1.00 0.00 ATOM 84 C SER 26 -2.970 17.055 -1.897 1.00 0.00 ATOM 85 N ASP 27 -3.730 17.680 -1.005 1.00 0.00 ATOM 86 CA ASP 27 -3.564 17.474 0.407 1.00 0.00 ATOM 87 CB ASP 27 -4.434 18.456 1.197 1.00 0.00 ATOM 88 CG ASP 27 -3.920 19.880 1.122 1.00 0.00 ATOM 89 OD1 ASP 27 -2.760 20.071 0.700 1.00 0.00 ATOM 90 OD2 ASP 27 -4.677 20.804 1.485 1.00 0.00 ATOM 91 O ASP 27 -3.379 15.552 1.793 1.00 0.00 ATOM 92 C ASP 27 -3.907 16.039 0.805 1.00 0.00 ATOM 93 N MET 28 -4.781 15.367 0.046 1.00 0.00 ATOM 94 CA MET 28 -5.135 13.960 0.297 1.00 0.00 ATOM 95 CB MET 28 -6.432 13.869 1.105 1.00 0.00 ATOM 96 CG MET 28 -6.339 14.473 2.495 1.00 0.00 ATOM 97 SD MET 28 -7.881 14.330 3.420 1.00 0.00 ATOM 98 CE MET 28 -7.913 12.572 3.757 1.00 0.00 ATOM 99 O MET 28 -5.555 13.792 -2.047 1.00 0.00 ATOM 100 C MET 28 -5.274 13.199 -1.008 1.00 0.00 ATOM 104 N ASN 41 -5.070 11.884 -0.964 1.00 0.00 ATOM 105 CA ASN 41 -5.528 11.013 -2.045 1.00 0.00 ATOM 106 CB ASN 41 -5.109 9.566 -1.780 1.00 0.00 ATOM 107 CG ASN 41 -3.623 9.342 -1.985 1.00 0.00 ATOM 108 ND2 ASN 41 -3.108 8.251 -1.431 1.00 0.00 ATOM 109 OD1 ASN 41 -2.949 10.143 -2.634 1.00 0.00 ATOM 110 O ASN 41 -7.538 11.355 -3.291 1.00 0.00 ATOM 111 C ASN 41 -7.036 11.137 -2.195 1.00 0.00 ATOM 112 N GLU 42 -7.740 10.978 -1.083 1.00 0.00 ATOM 113 CA GLU 42 -9.191 11.013 -1.056 1.00 0.00 ATOM 114 CB GLU 42 -9.769 10.216 -2.226 1.00 0.00 ATOM 115 CG GLU 42 -9.448 10.796 -3.593 1.00 0.00 ATOM 116 CD GLU 42 -10.132 12.126 -3.837 1.00 0.00 ATOM 117 OE1 GLU 42 -11.146 12.405 -3.162 1.00 0.00 ATOM 118 OE2 GLU 42 -9.656 12.890 -4.702 1.00 0.00 ATOM 119 O GLU 42 -8.913 10.240 1.175 1.00 0.00 ATOM 120 C GLU 42 -9.695 10.475 0.253 1.00 0.00 ATOM 124 N ASP 46 -11.009 10.298 0.345 1.00 0.00 ATOM 125 CA ASP 46 -11.683 9.816 1.546 1.00 0.00 ATOM 126 CB ASP 46 -12.699 10.848 2.041 1.00 0.00 ATOM 127 CG ASP 46 -13.361 10.437 3.342 1.00 0.00 ATOM 128 OD1 ASP 46 -12.968 9.394 3.904 1.00 0.00 ATOM 129 OD2 ASP 46 -14.274 11.158 3.798 1.00 0.00 ATOM 130 O ASP 46 -13.176 8.437 0.290 1.00 0.00 ATOM 131 C ASP 46 -12.328 8.493 1.172 1.00 0.00 ATOM 132 N GLY 47 -11.920 7.421 1.831 1.00 0.00 ATOM 133 CA GLY 47 -12.299 6.081 1.374 1.00 0.00 ATOM 134 O GLY 47 -10.546 6.267 -0.232 1.00 0.00 ATOM 135 C GLY 47 -11.629 5.764 0.050 1.00 0.00 ATOM 136 N GLY 48 -12.271 4.929 -0.754 1.00 0.00 ATOM 137 CA GLY 48 -11.746 4.536 -2.058 1.00 0.00 ATOM 138 O GLY 48 -11.380 2.302 -1.223 1.00 0.00 ATOM 139 C GLY 48 -11.079 3.166 -2.059 1.00 0.00 ATOM 140 N TYR 49 -10.169 2.989 -3.012 1.00 0.00 ATOM 141 CA TYR 49 -9.527 1.702 -3.247 1.00 0.00 ATOM 142 CB TYR 49 -10.219 0.961 -4.394 1.00 0.00 ATOM 143 CG TYR 49 -9.616 -0.391 -4.702 1.00 0.00 ATOM 144 CD1 TYR 49 -9.458 -1.343 -3.703 1.00 0.00 ATOM 145 CD2 TYR 49 -9.207 -0.710 -5.990 1.00 0.00 ATOM 146 CE1 TYR 49 -8.908 -2.581 -3.975 1.00 0.00 ATOM 147 CE2 TYR 49 -8.655 -1.944 -6.281 1.00 0.00 ATOM 148 CZ TYR 49 -8.507 -2.880 -5.259 1.00 0.00 ATOM 149 OH TYR 49 -7.960 -4.113 -5.533 1.00 0.00 ATOM 150 O TYR 49 -7.705 2.792 -4.340 1.00 0.00 ATOM 151 C TYR 49 -8.059 1.906 -3.550 1.00 0.00 ATOM 152 N LEU 50 -7.218 1.089 -2.932 1.00 0.00 ATOM 153 CA LEU 50 -5.802 1.033 -3.261 1.00 0.00 ATOM 154 CB LEU 50 -4.953 1.129 -1.991 1.00 0.00 ATOM 155 CG LEU 50 -3.438 1.029 -2.179 1.00 0.00 ATOM 156 CD1 LEU 50 -2.919 2.204 -2.993 1.00 0.00 ATOM 157 CD2 LEU 50 -2.732 0.964 -0.833 1.00 0.00 ATOM 158 O LEU 50 -5.814 -1.360 -3.505 1.00 0.00 ATOM 159 C LEU 50 -5.539 -0.270 -4.017 1.00 0.00 ATOM 160 N LEU 51 -4.994 -0.140 -5.223 1.00 0.00 ATOM 161 CA LEU 51 -4.602 -1.258 -6.083 1.00 0.00 ATOM 162 CB LEU 51 -5.292 -1.155 -7.444 1.00 0.00 ATOM 163 CG LEU 51 -5.083 -2.331 -8.401 1.00 0.00 ATOM 164 CD1 LEU 51 -6.196 -2.387 -9.435 1.00 0.00 ATOM 165 CD2 LEU 51 -3.729 -2.231 -9.086 1.00 0.00 ATOM 166 O LEU 51 -2.475 -0.184 -6.373 1.00 0.00 ATOM 167 C LEU 51 -3.089 -1.252 -6.225 1.00 0.00 ATOM 168 N LEU 52 -2.481 -2.432 -6.197 1.00 0.00 ATOM 169 CA LEU 52 -1.092 -2.601 -6.654 1.00 0.00 ATOM 170 CB LEU 52 -0.115 -2.084 -5.596 1.00 0.00 ATOM 171 CG LEU 52 0.142 -3.008 -4.403 1.00 0.00 ATOM 172 CD1 LEU 52 1.328 -2.515 -3.587 1.00 0.00 ATOM 173 CD2 LEU 52 -1.096 -3.112 -3.527 1.00 0.00 ATOM 174 O LEU 52 -1.599 -4.948 -6.586 1.00 0.00 ATOM 175 C LEU 52 -0.815 -4.056 -6.968 1.00 0.00 ATOM 176 N GLY 53 0.295 -4.275 -7.657 1.00 0.00 ATOM 177 CA GLY 53 0.835 -5.617 -7.872 1.00 0.00 ATOM 178 O GLY 53 2.953 -4.876 -6.993 1.00 0.00 ATOM 179 C GLY 53 2.120 -5.788 -7.060 1.00 0.00 ATOM 180 N VAL 54 2.265 -6.968 -6.457 1.00 0.00 ATOM 181 CA VAL 54 3.434 -7.284 -5.630 1.00 0.00 ATOM 182 CB VAL 54 3.081 -7.286 -4.130 1.00 0.00 ATOM 183 CG1 VAL 54 4.334 -7.475 -3.289 1.00 0.00 ATOM 184 CG2 VAL 54 2.366 -5.998 -3.749 1.00 0.00 ATOM 185 O VAL 54 3.260 -9.574 -6.327 1.00 0.00 ATOM 186 C VAL 54 4.014 -8.634 -6.043 1.00 0.00 ATOM 187 N ASP 55 5.350 -8.722 -6.062 1.00 0.00 ATOM 188 CA ASP 55 6.105 -9.966 -6.233 1.00 0.00 ATOM 189 CB ASP 55 6.733 -10.026 -7.627 1.00 0.00 ATOM 190 CG ASP 55 7.393 -11.360 -7.911 1.00 0.00 ATOM 191 OD1 ASP 55 7.636 -12.119 -6.950 1.00 0.00 ATOM 192 OD2 ASP 55 7.668 -11.646 -9.095 1.00 0.00 ATOM 193 O ASP 55 7.890 -9.024 -4.982 1.00 0.00 ATOM 194 C ASP 55 7.129 -9.976 -5.123 1.00 0.00 ATOM 195 N TRP 56 7.166 -11.036 -4.325 1.00 0.00 ATOM 196 CA TRP 56 8.083 -11.094 -3.185 1.00 0.00 ATOM 197 CB TRP 56 7.697 -10.053 -2.132 1.00 0.00 ATOM 198 CG TRP 56 6.307 -10.227 -1.600 1.00 0.00 ATOM 199 CD1 TRP 56 5.339 -11.055 -2.089 1.00 0.00 ATOM 200 CD2 TRP 56 5.728 -9.553 -0.476 1.00 0.00 ATOM 201 CE2 TRP 56 4.410 -10.023 -0.343 1.00 0.00 ATOM 202 CE3 TRP 56 6.198 -8.599 0.432 1.00 0.00 ATOM 203 NE1 TRP 56 4.193 -10.940 -1.340 1.00 0.00 ATOM 204 CZ2 TRP 56 3.554 -9.572 0.661 1.00 0.00 ATOM 205 CZ3 TRP 56 5.346 -8.155 1.425 1.00 0.00 ATOM 206 CH2 TRP 56 4.038 -8.640 1.534 1.00 0.00 ATOM 207 O TRP 56 7.156 -13.231 -2.637 1.00 0.00 ATOM 208 C TRP 56 8.122 -12.470 -2.545 1.00 0.00 ATOM 209 N ALA 57 9.227 -12.752 -1.851 1.00 0.00 ATOM 210 CA ALA 57 9.356 -13.942 -1.014 1.00 0.00 ATOM 211 CB ALA 57 10.771 -14.493 -1.090 1.00 0.00 ATOM 212 O ALA 57 8.985 -14.645 1.257 1.00 0.00 ATOM 213 C ALA 57 8.999 -13.708 0.459 1.00 0.00 ATOM 214 N ILE 58 8.714 -12.462 0.841 1.00 0.00 ATOM 215 CA ILE 58 8.252 -12.171 2.185 1.00 0.00 ATOM 216 CB ILE 58 9.040 -11.007 2.812 1.00 0.00 ATOM 217 CG1 ILE 58 8.761 -9.705 2.058 1.00 0.00 ATOM 218 CG2 ILE 58 10.526 -11.332 2.855 1.00 0.00 ATOM 219 CD1 ILE 58 9.418 -9.637 0.696 1.00 0.00 ATOM 220 O ILE 58 6.017 -12.311 1.270 1.00 0.00 ATOM 221 C ILE 58 6.734 -11.852 2.154 1.00 0.00 ATOM 222 N ASN 59 6.251 -11.128 3.154 1.00 0.00 ATOM 223 CA ASN 59 4.834 -10.828 3.306 1.00 0.00 ATOM 224 CB ASN 59 4.093 -12.027 3.902 1.00 0.00 ATOM 225 CG ASN 59 4.609 -12.407 5.277 1.00 0.00 ATOM 226 ND2 ASN 59 5.034 -13.655 5.424 1.00 0.00 ATOM 227 OD1 ASN 59 4.624 -11.583 6.192 1.00 0.00 ATOM 228 O ASN 59 5.703 -9.151 4.771 1.00 0.00 ATOM 229 C ASN 59 4.719 -9.591 4.165 1.00 0.00 ATOM 230 N ASP 60 3.518 -9.045 4.274 1.00 0.00 ATOM 231 CA ASP 60 3.362 -7.865 5.095 1.00 0.00 ATOM 232 CB ASP 60 4.449 -6.838 4.768 1.00 0.00 ATOM 233 CG ASP 60 4.383 -6.359 3.332 1.00 0.00 ATOM 234 OD1 ASP 60 3.306 -6.478 2.714 1.00 0.00 ATOM 235 OD2 ASP 60 5.412 -5.864 2.823 1.00 0.00 ATOM 236 O ASP 60 1.034 -7.767 4.655 1.00 0.00 ATOM 237 C ASP 60 2.037 -7.164 4.996 1.00 0.00 ATOM 238 N LYS 61 2.045 -5.873 5.342 1.00 0.00 ATOM 239 CA LYS 61 0.839 -5.081 5.506 1.00 0.00 ATOM 240 CB LYS 61 0.688 -4.628 6.960 1.00 0.00 ATOM 241 CG LYS 61 0.515 -5.769 7.950 1.00 0.00 ATOM 242 CD LYS 61 0.254 -5.247 9.354 1.00 0.00 ATOM 243 CE LYS 61 0.139 -6.386 10.354 1.00 0.00 ATOM 244 NZ LYS 61 -1.010 -7.280 10.045 1.00 0.00 ATOM 245 O LYS 61 1.869 -3.311 4.250 1.00 0.00 ATOM 246 C LYS 61 0.824 -3.871 4.595 1.00 0.00 ATOM 247 N GLY 62 -1.155 -0.128 4.596 1.00 0.00 ATOM 248 CA GLY 62 -1.815 0.761 5.539 1.00 0.00 ATOM 249 O GLY 62 -1.385 2.438 3.878 1.00 0.00 ATOM 250 C GLY 62 -1.979 2.140 4.910 1.00 0.00 ATOM 251 N ASP 63 -2.747 2.989 5.576 1.00 0.00 ATOM 252 CA ASP 63 -2.775 4.423 5.284 1.00 0.00 ATOM 253 CB ASP 63 -4.165 4.846 4.803 1.00 0.00 ATOM 254 CG ASP 63 -4.533 4.228 3.470 1.00 0.00 ATOM 255 OD1 ASP 63 -3.746 3.400 2.960 1.00 0.00 ATOM 256 OD2 ASP 63 -5.608 4.569 2.933 1.00 0.00 ATOM 257 O ASP 63 -2.531 4.739 7.656 1.00 0.00 ATOM 258 C ASP 63 -2.367 5.214 6.532 1.00 0.00 ATOM 259 N THR 64 -1.783 6.392 6.318 1.00 0.00 ATOM 260 CA THR 64 -1.526 7.329 7.397 1.00 0.00 ATOM 261 CB THR 64 -0.094 7.183 7.944 1.00 0.00 ATOM 262 CG2 THR 64 0.182 5.739 8.337 1.00 0.00 ATOM 263 OG1 THR 64 0.847 7.570 6.933 1.00 0.00 ATOM 264 O THR 64 -2.280 8.957 5.781 1.00 0.00 ATOM 265 C THR 64 -1.766 8.757 6.885 1.00 0.00 ATOM 266 N VAL 65 -1.454 9.759 7.694 1.00 0.00 ATOM 267 CA VAL 65 -1.819 11.135 7.367 1.00 0.00 ATOM 268 CB VAL 65 -1.155 11.599 6.056 1.00 0.00 ATOM 269 CG1 VAL 65 -1.452 13.070 5.802 1.00 0.00 ATOM 270 CG2 VAL 65 0.345 11.355 6.105 1.00 0.00 ATOM 271 O VAL 65 -3.840 11.996 6.396 1.00 0.00 ATOM 272 C VAL 65 -3.327 11.280 7.265 1.00 0.00 ATOM 273 N TYR 66 -4.035 10.613 8.174 1.00 0.00 ATOM 274 CA TYR 66 -5.494 10.589 8.160 1.00 0.00 ATOM 275 CB TYR 66 -6.014 9.308 8.815 1.00 0.00 ATOM 276 CG TYR 66 -5.732 8.054 8.019 1.00 0.00 ATOM 277 CD1 TYR 66 -5.328 6.885 8.652 1.00 0.00 ATOM 278 CD2 TYR 66 -5.870 8.043 6.637 1.00 0.00 ATOM 279 CE1 TYR 66 -5.066 5.735 7.931 1.00 0.00 ATOM 280 CE2 TYR 66 -5.614 6.902 5.901 1.00 0.00 ATOM 281 CZ TYR 66 -5.209 5.743 6.562 1.00 0.00 ATOM 282 OH TYR 66 -4.950 4.598 5.842 1.00 0.00 ATOM 283 O TYR 66 -5.646 12.162 9.983 1.00 0.00 ATOM 284 C TYR 66 -6.052 11.818 8.873 1.00 0.00 ATOM 285 N ARG 67 -6.979 12.507 8.214 1.00 0.00 ATOM 286 CA ARG 67 -7.555 13.729 8.768 1.00 0.00 ATOM 287 CB ARG 67 -8.531 14.362 7.774 1.00 0.00 ATOM 288 CG ARG 67 -8.902 15.799 8.098 1.00 0.00 ATOM 289 CD ARG 67 -9.808 16.389 7.031 1.00 0.00 ATOM 290 NE ARG 67 -10.184 17.768 7.332 1.00 0.00 ATOM 291 CZ ARG 67 -10.876 18.552 6.510 1.00 0.00 ATOM 292 NH1 ARG 67 -11.172 19.792 6.869 1.00 0.00 ATOM 293 NH2 ARG 67 -11.269 18.091 5.330 1.00 0.00 ATOM 294 O ARG 67 -9.095 12.385 10.152 1.00 0.00 ATOM 295 C ARG 67 -8.238 13.378 10.078 1.00 0.00 ATOM 296 N PRO 68 -7.938 14.162 11.101 1.00 0.00 ATOM 297 CA PRO 68 -8.473 13.952 12.450 1.00 0.00 ATOM 298 CB PRO 68 -9.688 13.049 12.231 1.00 0.00 ATOM 299 CG PRO 68 -9.375 12.298 10.981 1.00 0.00 ATOM 300 CD PRO 68 -8.599 13.244 10.108 1.00 0.00 ATOM 301 O PRO 68 -7.723 13.251 14.600 1.00 0.00 ATOM 302 C PRO 68 -7.495 13.293 13.408 1.00 0.00 ATOM 303 N VAL 69 -6.385 12.791 12.876 1.00 0.00 ATOM 304 CA VAL 69 -5.396 12.019 13.653 1.00 0.00 ATOM 305 CB VAL 69 -5.315 10.559 13.171 1.00 0.00 ATOM 306 CG1 VAL 69 -6.658 9.866 13.343 1.00 0.00 ATOM 307 CG2 VAL 69 -4.865 10.500 11.718 1.00 0.00 ATOM 308 O VAL 69 -3.681 13.414 12.729 1.00 0.00 ATOM 309 C VAL 69 -4.005 12.630 13.602 1.00 0.00 ATOM 310 N GLY 70 -3.156 12.209 14.528 1.00 0.00 ATOM 311 CA GLY 70 -1.731 12.411 14.379 1.00 0.00 ATOM 312 O GLY 70 -1.695 10.633 12.756 1.00 0.00 ATOM 313 C GLY 70 -1.302 11.771 13.050 1.00 0.00 ATOM 314 N LEU 71 -0.463 12.456 12.269 1.00 0.00 ATOM 315 CA LEU 71 -0.063 11.910 10.976 1.00 0.00 ATOM 316 CB LEU 71 0.825 12.906 10.225 1.00 0.00 ATOM 317 CG LEU 71 0.144 14.187 9.739 1.00 0.00 ATOM 318 CD1 LEU 71 1.167 15.154 9.163 1.00 0.00 ATOM 319 CD2 LEU 71 -0.924 13.869 8.705 1.00 0.00 ATOM 320 O LEU 71 0.643 9.782 10.152 1.00 0.00 ATOM 321 C LEU 71 0.669 10.583 11.086 1.00 0.00 ATOM 322 N PRO 72 1.317 10.341 12.218 1.00 0.00 ATOM 323 CA PRO 72 2.060 9.091 12.438 1.00 0.00 ATOM 324 CB PRO 72 2.894 9.372 13.690 1.00 0.00 ATOM 325 CG PRO 72 2.991 10.860 13.749 1.00 0.00 ATOM 326 CD PRO 72 1.688 11.385 13.211 1.00 0.00 ATOM 327 O PRO 72 1.620 6.739 12.504 1.00 0.00 ATOM 328 C PRO 72 1.167 7.876 12.657 1.00 0.00 ATOM 329 N ASP 73 -0.092 8.065 13.050 1.00 0.00 ATOM 330 CA ASP 73 -0.950 6.905 13.297 1.00 0.00 ATOM 331 CB ASP 73 -2.207 7.323 14.064 1.00 0.00 ATOM 332 CG ASP 73 -3.041 6.136 14.504 1.00 0.00 ATOM 333 OD1 ASP 73 -2.508 5.007 14.517 1.00 0.00 ATOM 334 OD2 ASP 73 -4.228 6.336 14.837 1.00 0.00 ATOM 335 O ASP 73 -1.739 6.900 11.024 1.00 0.00 ATOM 336 C ASP 73 -1.321 6.241 11.974 1.00 0.00 ATOM 340 N SER 87 -4.470 -0.236 9.160 1.00 0.00 ATOM 341 CA SER 87 -4.289 -1.353 8.261 1.00 0.00 ATOM 342 CB SER 87 -4.142 -2.656 9.048 1.00 0.00 ATOM 343 OG SER 87 -4.051 -3.772 8.178 1.00 0.00 ATOM 344 O SER 87 -6.618 -1.359 7.727 1.00 0.00 ATOM 345 C SER 87 -5.463 -1.433 7.297 1.00 0.00 ATOM 346 N MET 88 -5.167 -1.614 6.012 1.00 0.00 ATOM 347 CA MET 88 -6.193 -1.829 4.990 1.00 0.00 ATOM 348 CB MET 88 -6.123 -0.734 3.924 1.00 0.00 ATOM 349 CG MET 88 -6.427 0.661 4.446 1.00 0.00 ATOM 350 SD MET 88 -8.098 0.809 5.105 1.00 0.00 ATOM 351 CE MET 88 -9.068 0.632 3.610 1.00 0.00 ATOM 352 O MET 88 -7.031 -3.609 3.628 1.00 0.00 ATOM 353 C MET 88 -6.093 -3.188 4.306 1.00 0.00 ATOM 354 N LEU 89 -4.980 -3.895 4.483 1.00 0.00 ATOM 355 CA LEU 89 -4.854 -5.217 3.876 1.00 0.00 ATOM 356 CB LEU 89 -5.135 -5.146 2.373 1.00 0.00 ATOM 357 CG LEU 89 -5.030 -6.462 1.600 1.00 0.00 ATOM 358 CD1 LEU 89 -6.088 -7.447 2.072 1.00 0.00 ATOM 359 CD2 LEU 89 -5.162 -6.219 0.104 1.00 0.00 ATOM 360 O LEU 89 -2.675 -5.241 4.790 1.00 0.00 ATOM 361 C LEU 89 -3.501 -5.830 4.097 1.00 0.00 ATOM 362 N ASN 90 -3.304 -7.033 3.553 1.00 0.00 ATOM 363 CA ASN 90 -2.031 -7.738 3.658 1.00 0.00 ATOM 364 CB ASN 90 -2.135 -8.885 4.666 1.00 0.00 ATOM 365 CG ASN 90 -2.386 -8.397 6.078 1.00 0.00 ATOM 366 ND2 ASN 90 -3.641 -8.459 6.510 1.00 0.00 ATOM 367 OD1 ASN 90 -1.463 -7.970 6.772 1.00 0.00 ATOM 368 O ASN 90 -2.469 -8.438 1.429 1.00 0.00 ATOM 369 C ASN 90 -1.615 -8.237 2.295 1.00 0.00 ATOM 370 N VAL 91 -0.310 -8.413 2.103 1.00 0.00 ATOM 371 CA VAL 91 0.199 -9.094 0.915 1.00 0.00 ATOM 372 CB VAL 91 1.082 -8.162 0.064 1.00 0.00 ATOM 373 CG1 VAL 91 1.647 -8.909 -1.133 1.00 0.00 ATOM 374 CG2 VAL 91 0.291 -6.944 -0.388 1.00 0.00 ATOM 375 O VAL 91 1.376 -10.381 2.548 1.00 0.00 ATOM 376 C VAL 91 0.961 -10.316 1.389 1.00 0.00 ATOM 377 N ALA 92 1.153 -11.258 0.473 1.00 0.00 ATOM 378 CA ALA 92 1.799 -12.541 0.800 1.00 0.00 ATOM 379 CB ALA 92 0.760 -13.645 0.908 1.00 0.00 ATOM 380 O ALA 92 3.036 -12.137 -1.213 1.00 0.00 ATOM 381 C ALA 92 2.845 -12.885 -0.261 1.00 0.00 ATOM 382 N LEU 93 3.532 -14.010 -0.110 1.00 0.00 ATOM 383 CA LEU 93 4.599 -14.359 -1.054 1.00 0.00 ATOM 384 CB LEU 93 5.476 -15.475 -0.481 1.00 0.00 ATOM 385 CG LEU 93 6.774 -15.771 -1.235 1.00 0.00 ATOM 386 CD1 LEU 93 7.728 -16.577 -0.367 1.00 0.00 ATOM 387 CD2 LEU 93 6.486 -16.510 -2.533 1.00 0.00 ATOM 388 O LEU 93 2.967 -15.468 -2.438 1.00 0.00 ATOM 389 C LEU 93 3.998 -14.778 -2.385 1.00 0.00 ATOM 390 N ARG 94 4.650 -14.360 -3.459 1.00 0.00 ATOM 391 CA ARG 94 4.282 -14.795 -4.798 1.00 0.00 ATOM 392 CB ARG 94 3.180 -13.900 -5.369 1.00 0.00 ATOM 393 CG ARG 94 1.867 -13.968 -4.606 1.00 0.00 ATOM 394 CD ARG 94 1.182 -15.310 -4.806 1.00 0.00 ATOM 395 NE ARG 94 -0.128 -15.357 -4.162 1.00 0.00 ATOM 396 CZ ARG 94 -0.322 -15.666 -2.884 1.00 0.00 ATOM 397 NH1 ARG 94 -1.550 -15.685 -2.385 1.00 0.00 ATOM 398 NH2 ARG 94 0.713 -15.957 -2.108 1.00 0.00 ATOM 399 O ARG 94 6.306 -13.916 -5.654 1.00 0.00 ATOM 400 C ARG 94 5.462 -14.798 -5.719 1.00 0.00 ATOM 401 N PRO 95 5.509 -15.819 -6.574 1.00 0.00 ATOM 402 CA PRO 95 6.582 -16.003 -7.535 1.00 0.00 ATOM 403 CB PRO 95 6.328 -17.398 -8.113 1.00 0.00 ATOM 404 CG PRO 95 4.877 -17.645 -7.864 1.00 0.00 ATOM 405 CD PRO 95 4.549 -16.942 -6.576 1.00 0.00 ATOM 406 O PRO 95 7.668 -14.567 -9.159 1.00 0.00 ATOM 407 C PRO 95 6.590 -14.953 -8.655 1.00 0.00 ATOM 408 N GLU 96 5.408 -14.491 -9.041 1.00 0.00 ATOM 409 CA GLU 96 5.246 -13.424 -10.034 1.00 0.00 ATOM 410 CB GLU 96 4.667 -13.986 -11.334 1.00 0.00 ATOM 411 CG GLU 96 5.558 -15.007 -12.020 1.00 0.00 ATOM 412 CD GLU 96 4.964 -15.523 -13.316 1.00 0.00 ATOM 413 OE1 GLU 96 3.810 -15.158 -13.626 1.00 0.00 ATOM 414 OE2 GLU 96 5.650 -16.293 -14.020 1.00 0.00 ATOM 415 O GLU 96 3.885 -12.494 -8.305 1.00 0.00 ATOM 416 C GLU 96 4.353 -12.361 -9.435 1.00 0.00 ATOM 417 N MET 97 4.139 -11.286 -10.182 1.00 0.00 ATOM 418 CA MET 97 3.286 -10.195 -9.714 1.00 0.00 ATOM 419 CB MET 97 3.318 -9.027 -10.703 1.00 0.00 ATOM 420 CG MET 97 2.537 -7.806 -10.247 1.00 0.00 ATOM 421 SD MET 97 2.599 -6.455 -11.438 1.00 0.00 ATOM 422 CE MET 97 1.505 -7.077 -12.713 1.00 0.00 ATOM 423 O MET 97 1.227 -11.254 -10.375 1.00 0.00 ATOM 424 C MET 97 1.844 -10.639 -9.500 1.00 0.00 ATOM 425 N GLN 98 1.341 -10.348 -8.307 1.00 0.00 ATOM 426 CA GLN 98 -0.024 -10.669 -7.879 1.00 0.00 ATOM 427 CB GLN 98 0.000 -11.524 -6.610 1.00 0.00 ATOM 428 CG GLN 98 -1.377 -11.864 -6.066 1.00 0.00 ATOM 429 CD GLN 98 -2.143 -12.811 -6.969 1.00 0.00 ATOM 430 OE1 GLN 98 -1.691 -13.922 -7.248 1.00 0.00 ATOM 431 NE2 GLN 98 -3.308 -12.373 -7.432 1.00 0.00 ATOM 432 O GLN 98 -0.253 -8.427 -7.047 1.00 0.00 ATOM 433 C GLN 98 -0.782 -9.355 -7.658 1.00 0.00 ATOM 434 N LEU 99 -2.014 -9.272 -8.160 1.00 0.00 ATOM 435 CA LEU 99 -2.853 -8.106 -7.974 1.00 0.00 ATOM 436 CB LEU 99 -3.910 -8.025 -9.076 1.00 0.00 ATOM 437 CG LEU 99 -3.389 -7.852 -10.504 1.00 0.00 ATOM 438 CD1 LEU 99 -4.534 -7.897 -11.505 1.00 0.00 ATOM 439 CD2 LEU 99 -2.618 -6.547 -10.641 1.00 0.00 ATOM 440 O LEU 99 -3.999 -9.184 -6.159 1.00 0.00 ATOM 441 C LEU 99 -3.522 -8.126 -6.613 1.00 0.00 ATOM 442 N GLU 100 -3.590 -6.955 -5.982 1.00 0.00 ATOM 443 CA GLU 100 -4.334 -6.748 -4.760 1.00 0.00 ATOM 444 CB GLU 100 -3.384 -6.644 -3.565 1.00 0.00 ATOM 445 CG GLU 100 -2.572 -7.905 -3.307 1.00 0.00 ATOM 446 CD GLU 100 -3.419 -9.044 -2.773 1.00 0.00 ATOM 447 OE1 GLU 100 -4.512 -8.769 -2.233 1.00 0.00 ATOM 448 OE2 GLU 100 -2.990 -10.210 -2.897 1.00 0.00 ATOM 449 O GLU 100 -4.740 -4.485 -5.460 1.00 0.00 ATOM 450 C GLU 100 -5.190 -5.489 -4.884 1.00 0.00 ATOM 451 N GLN 101 -6.383 -5.538 -4.307 1.00 0.00 ATOM 452 CA GLN 101 -7.258 -4.374 -4.147 1.00 0.00 ATOM 453 CB GLN 101 -8.468 -4.481 -5.077 1.00 0.00 ATOM 454 CG GLN 101 -9.372 -5.667 -4.784 1.00 0.00 ATOM 455 CD GLN 101 -10.517 -5.783 -5.771 1.00 0.00 ATOM 456 OE1 GLN 101 -10.728 -4.897 -6.599 1.00 0.00 ATOM 457 NE2 GLN 101 -11.263 -6.879 -5.684 1.00 0.00 ATOM 458 O GLN 101 -8.183 -5.275 -2.146 1.00 0.00 ATOM 459 C GLN 101 -7.677 -4.294 -2.690 1.00 0.00 ATOM 460 N VAL 102 -7.476 -3.137 -2.067 1.00 0.00 ATOM 461 CA VAL 102 -7.791 -2.922 -0.647 1.00 0.00 ATOM 462 CB VAL 102 -6.523 -2.620 0.173 1.00 0.00 ATOM 463 CG1 VAL 102 -5.607 -3.834 0.203 1.00 0.00 ATOM 464 CG2 VAL 102 -5.795 -1.412 -0.398 1.00 0.00 ATOM 465 O VAL 102 -8.582 -0.694 -1.002 1.00 0.00 ATOM 466 C VAL 102 -8.801 -1.788 -0.505 1.00 0.00 ATOM 467 N GLY 103 -14.447 4.472 4.660 1.00 0.00 ATOM 468 CA GLY 103 -14.902 5.819 4.322 1.00 0.00 ATOM 469 O GLY 103 -14.624 8.047 5.090 1.00 0.00 ATOM 470 C GLY 103 -14.583 6.858 5.381 1.00 0.00 ATOM 471 N GLY 104 -14.250 6.406 6.593 1.00 0.00 ATOM 472 CA GLY 104 -13.871 7.291 7.686 1.00 0.00 ATOM 473 O GLY 104 -12.132 8.843 8.201 1.00 0.00 ATOM 474 C GLY 104 -12.493 7.911 7.484 1.00 0.00 ATOM 475 N LYS 105 -11.691 7.371 6.565 1.00 0.00 ATOM 476 CA LYS 105 -10.282 7.770 6.439 1.00 0.00 ATOM 477 CB LYS 105 -9.374 6.538 6.428 1.00 0.00 ATOM 478 CG LYS 105 -9.444 5.705 7.698 1.00 0.00 ATOM 479 CD LYS 105 -8.907 6.474 8.893 1.00 0.00 ATOM 480 CE LYS 105 -8.954 5.632 10.157 1.00 0.00 ATOM 481 NZ LYS 105 -8.449 6.381 11.342 1.00 0.00 ATOM 482 O LYS 105 -10.121 8.106 4.080 1.00 0.00 ATOM 483 C LYS 105 -10.017 8.595 5.197 1.00 0.00 ATOM 487 N LEU 107 -1.094 9.260 2.541 1.00 0.00 ATOM 488 CA LEU 107 0.057 8.347 2.421 1.00 0.00 ATOM 489 CB LEU 107 1.036 8.562 3.578 1.00 0.00 ATOM 490 CG LEU 107 2.091 9.651 3.378 1.00 0.00 ATOM 491 CD1 LEU 107 1.433 10.999 3.127 1.00 0.00 ATOM 492 CD2 LEU 107 3.014 9.732 4.584 1.00 0.00 ATOM 493 O LEU 107 -1.210 6.460 3.215 1.00 0.00 ATOM 494 C LEU 107 -0.388 6.889 2.383 1.00 0.00 ATOM 495 N LEU 108 0.191 6.150 1.434 1.00 0.00 ATOM 496 CA LEU 108 0.022 4.714 1.290 1.00 0.00 ATOM 497 CB LEU 108 -0.271 4.352 -0.168 1.00 0.00 ATOM 498 CG LEU 108 -1.527 4.975 -0.781 1.00 0.00 ATOM 499 CD1 LEU 108 -1.650 4.600 -2.250 1.00 0.00 ATOM 500 CD2 LEU 108 -2.770 4.541 -0.019 1.00 0.00 ATOM 501 O LEU 108 2.379 4.190 1.233 1.00 0.00 ATOM 502 C LEU 108 1.290 4.012 1.795 1.00 0.00 ATOM 503 N VAL 109 1.132 3.180 2.813 1.00 0.00 ATOM 504 CA VAL 109 2.235 2.450 3.443 1.00 0.00 ATOM 505 CB VAL 109 2.139 2.498 4.980 1.00 0.00 ATOM 506 CG1 VAL 109 3.254 1.677 5.609 1.00 0.00 ATOM 507 CG2 VAL 109 2.187 3.937 5.472 1.00 0.00 ATOM 508 O VAL 109 1.245 0.346 2.913 1.00 0.00 ATOM 509 C VAL 109 2.277 1.002 2.980 1.00 0.00 ATOM 510 N VAL 110 3.467 0.519 2.645 1.00 0.00 ATOM 511 CA VAL 110 3.709 -0.921 2.418 1.00 0.00 ATOM 512 CB VAL 110 4.055 -1.209 0.945 1.00 0.00 ATOM 513 CG1 VAL 110 4.226 -2.704 0.722 1.00 0.00 ATOM 514 CG2 VAL 110 2.981 -0.648 0.025 1.00 0.00 ATOM 515 O VAL 110 5.838 -0.585 3.414 1.00 0.00 ATOM 516 C VAL 110 4.828 -1.280 3.379 1.00 0.00 ATOM 517 N TYR 111 4.651 -2.346 4.156 1.00 0.00 ATOM 518 CA TYR 111 5.538 -2.644 5.274 1.00 0.00 ATOM 519 CB TYR 111 4.925 -2.157 6.589 1.00 0.00 ATOM 520 CG TYR 111 4.693 -0.662 6.641 1.00 0.00 ATOM 521 CD1 TYR 111 3.505 -0.112 6.179 1.00 0.00 ATOM 522 CD2 TYR 111 5.663 0.190 7.150 1.00 0.00 ATOM 523 CE1 TYR 111 3.283 1.251 6.223 1.00 0.00 ATOM 524 CE2 TYR 111 5.460 1.557 7.200 1.00 0.00 ATOM 525 CZ TYR 111 4.257 2.083 6.730 1.00 0.00 ATOM 526 OH TYR 111 4.039 3.441 6.774 1.00 0.00 ATOM 527 O TYR 111 4.951 -4.976 5.167 1.00 0.00 ATOM 528 C TYR 111 5.843 -4.143 5.368 1.00 0.00 ATOM 529 N VAL 112 7.100 -4.469 5.654 1.00 0.00 ATOM 530 CA VAL 112 7.577 -5.861 5.779 1.00 0.00 ATOM 531 CB VAL 112 9.075 -5.976 5.444 1.00 0.00 ATOM 532 CG1 VAL 112 9.551 -7.411 5.616 1.00 0.00 ATOM 533 CG2 VAL 112 9.343 -5.489 4.027 1.00 0.00 ATOM 534 O VAL 112 8.102 -6.178 8.076 1.00 0.00 ATOM 535 C VAL 112 7.334 -6.433 7.167 1.00 0.00 ATOM 536 N PRO 113 6.299 -7.256 7.304 1.00 0.00 ATOM 537 CA PRO 113 5.879 -7.738 8.619 1.00 0.00 ATOM 538 CB PRO 113 4.636 -8.580 8.326 1.00 0.00 ATOM 539 CG PRO 113 4.059 -7.975 7.090 1.00 0.00 ATOM 540 CD PRO 113 5.228 -7.594 6.226 1.00 0.00 ATOM 541 O PRO 113 7.190 -8.332 10.521 1.00 0.00 ATOM 542 C PRO 113 6.916 -8.577 9.341 1.00 0.00 ATOM 543 N GLU 114 7.468 -9.586 8.659 1.00 0.00 ATOM 544 CA GLU 114 8.527 -10.383 9.269 1.00 0.00 ATOM 545 CB GLU 114 8.798 -11.638 8.437 1.00 0.00 ATOM 546 CG GLU 114 7.649 -12.633 8.422 1.00 0.00 ATOM 547 CD GLU 114 7.946 -13.853 7.571 1.00 0.00 ATOM 548 OE1 GLU 114 9.140 -14.160 7.370 1.00 0.00 ATOM 549 OE2 GLU 114 6.985 -14.500 7.106 1.00 0.00 ATOM 550 O GLU 114 10.769 -10.424 10.020 1.00 0.00 ATOM 551 C GLU 114 9.885 -9.733 9.503 1.00 0.00 ATOM 552 N ALA 115 10.087 -8.464 9.144 1.00 0.00 ATOM 553 CA ALA 115 11.394 -7.813 9.287 1.00 0.00 ATOM 554 CB ALA 115 11.686 -7.529 10.752 1.00 0.00 ATOM 555 O ALA 115 13.465 -9.052 9.331 1.00 0.00 ATOM 556 C ALA 115 12.494 -8.685 8.680 1.00 0.00 ATOM 557 N ASP 116 12.332 -8.967 7.392 1.00 0.00 ATOM 558 CA ASP 116 13.077 -10.009 6.682 1.00 0.00 ATOM 559 CB ASP 116 12.152 -10.774 5.731 1.00 0.00 ATOM 560 CG ASP 116 11.081 -11.555 6.463 1.00 0.00 ATOM 561 OD1 ASP 116 11.310 -11.925 7.634 1.00 0.00 ATOM 562 OD2 ASP 116 10.011 -11.799 5.866 1.00 0.00 ATOM 563 O ASP 116 15.079 -10.367 5.436 1.00 0.00 ATOM 564 C ASP 116 14.276 -9.539 5.871 1.00 0.00 ATOM 568 N HIS 119 14.345 -8.242 5.580 1.00 0.00 ATOM 569 CA HIS 119 15.387 -7.695 4.705 1.00 0.00 ATOM 570 CB HIS 119 16.774 -7.939 5.303 1.00 0.00 ATOM 571 CG HIS 119 17.819 -6.982 4.819 1.00 0.00 ATOM 572 CD2 HIS 119 19.009 -7.079 3.986 1.00 0.00 ATOM 573 ND1 HIS 119 17.809 -5.644 5.144 1.00 0.00 ATOM 574 CE1 HIS 119 18.867 -5.047 4.566 1.00 0.00 ATOM 575 NE2 HIS 119 19.591 -5.902 3.870 1.00 0.00 ATOM 576 O HIS 119 16.323 -8.214 2.558 1.00 0.00 ATOM 577 C HIS 119 15.329 -8.287 3.294 1.00 0.00 ATOM 578 N LYS 120 14.153 -8.795 2.901 1.00 0.00 ATOM 579 CA LYS 120 13.925 -9.398 1.571 1.00 0.00 ATOM 580 CB LYS 120 13.109 -10.687 1.701 1.00 0.00 ATOM 581 CG LYS 120 13.758 -11.747 2.575 1.00 0.00 ATOM 582 CD LYS 120 15.067 -12.232 1.973 1.00 0.00 ATOM 583 CE LYS 120 15.653 -13.381 2.779 1.00 0.00 ATOM 584 NZ LYS 120 16.911 -13.900 2.175 1.00 0.00 ATOM 585 O LYS 120 12.259 -7.752 1.123 1.00 0.00 ATOM 586 C LYS 120 13.212 -8.377 0.680 1.00 0.00 ATOM 587 N PRO 121 13.655 -8.214 -0.571 1.00 0.00 ATOM 588 CA PRO 121 13.014 -7.212 -1.421 1.00 0.00 ATOM 589 CB PRO 121 13.843 -7.231 -2.707 1.00 0.00 ATOM 590 CG PRO 121 14.458 -8.591 -2.735 1.00 0.00 ATOM 591 CD PRO 121 14.770 -8.937 -1.306 1.00 0.00 ATOM 592 O PRO 121 11.157 -8.688 -1.927 1.00 0.00 ATOM 593 C PRO 121 11.543 -7.527 -1.726 1.00 0.00 ATOM 594 N ILE 122 10.741 -6.463 -1.737 1.00 0.00 ATOM 595 CA ILE 122 9.327 -6.492 -2.078 1.00 0.00 ATOM 596 CB ILE 122 8.456 -5.962 -0.923 1.00 0.00 ATOM 597 CG1 ILE 122 8.628 -6.838 0.319 1.00 0.00 ATOM 598 CG2 ILE 122 7.000 -5.866 -1.353 1.00 0.00 ATOM 599 CD1 ILE 122 8.240 -6.151 1.610 1.00 0.00 ATOM 600 O ILE 122 9.386 -4.441 -3.309 1.00 0.00 ATOM 601 C ILE 122 9.187 -5.662 -3.347 1.00 0.00 ATOM 602 N TYR 123 8.899 -6.327 -4.465 1.00 0.00 ATOM 603 CA TYR 123 8.812 -5.688 -5.779 1.00 0.00 ATOM 604 CB TYR 123 9.357 -6.619 -6.864 1.00 0.00 ATOM 605 CG TYR 123 10.788 -7.052 -6.640 1.00 0.00 ATOM 606 CD1 TYR 123 11.078 -8.194 -5.904 1.00 0.00 ATOM 607 CD2 TYR 123 11.844 -6.317 -7.164 1.00 0.00 ATOM 608 CE1 TYR 123 12.383 -8.597 -5.694 1.00 0.00 ATOM 609 CE2 TYR 123 13.155 -6.704 -6.963 1.00 0.00 ATOM 610 CZ TYR 123 13.417 -7.855 -6.221 1.00 0.00 ATOM 611 OH TYR 123 14.717 -8.255 -6.012 1.00 0.00 ATOM 612 O TYR 123 6.451 -6.097 -5.923 1.00 0.00 ATOM 613 C TYR 123 7.378 -5.297 -6.091 1.00 0.00 ATOM 614 N LYS 124 7.192 -4.055 -6.541 1.00 0.00 ATOM 615 CA LYS 124 5.843 -3.524 -6.754 1.00 0.00 ATOM 616 CB LYS 124 5.485 -2.516 -5.659 1.00 0.00 ATOM 617 CG LYS 124 6.350 -1.266 -5.660 1.00 0.00 ATOM 618 CD LYS 124 5.929 -0.303 -4.561 1.00 0.00 ATOM 619 CE LYS 124 6.753 0.974 -4.602 1.00 0.00 ATOM 620 NZ LYS 124 6.394 1.901 -3.493 1.00 0.00 ATOM 621 O LYS 124 6.660 -2.266 -8.625 1.00 0.00 ATOM 622 C LYS 124 5.714 -2.870 -8.125 1.00 0.00 ATOM 623 N LYS 125 4.515 -2.964 -8.700 1.00 0.00 ATOM 624 CA LYS 125 4.176 -2.259 -9.929 1.00 0.00 ATOM 625 CB LYS 125 4.372 -3.170 -11.142 1.00 0.00 ATOM 626 CG LYS 125 5.812 -3.608 -11.363 1.00 0.00 ATOM 627 CD LYS 125 5.943 -4.462 -12.613 1.00 0.00 ATOM 628 CE LYS 125 7.379 -4.916 -12.823 1.00 0.00 ATOM 629 NZ LYS 125 7.528 -5.724 -14.065 1.00 0.00 ATOM 630 O LYS 125 1.927 -2.299 -9.111 1.00 0.00 ATOM 631 C LYS 125 2.741 -1.757 -9.856 1.00 0.00 ATOM 635 N GLY 132 2.430 -0.746 -10.658 1.00 0.00 ATOM 636 CA GLY 132 1.048 -0.289 -10.859 1.00 0.00 ATOM 637 O GLY 132 -0.734 -0.468 -9.247 1.00 0.00 ATOM 638 C GLY 132 0.344 0.041 -9.535 1.00 0.00 ATOM 639 N ALA 133 0.966 0.918 -8.765 1.00 0.00 ATOM 640 CA ALA 133 0.386 1.421 -7.534 1.00 0.00 ATOM 641 CB ALA 133 1.478 1.899 -6.590 1.00 0.00 ATOM 642 O ALA 133 -0.163 3.589 -8.406 1.00 0.00 ATOM 643 C ALA 133 -0.579 2.539 -7.913 1.00 0.00 ATOM 644 N TYR 134 -1.869 2.301 -7.700 1.00 0.00 ATOM 645 CA TYR 134 -2.926 3.192 -8.186 1.00 0.00 ATOM 646 CB TYR 134 -3.534 2.647 -9.479 1.00 0.00 ATOM 647 CG TYR 134 -4.628 3.517 -10.056 1.00 0.00 ATOM 648 CD1 TYR 134 -4.320 4.679 -10.750 1.00 0.00 ATOM 649 CD2 TYR 134 -5.964 3.171 -9.904 1.00 0.00 ATOM 650 CE1 TYR 134 -5.314 5.481 -11.280 1.00 0.00 ATOM 651 CE2 TYR 134 -6.971 3.960 -10.428 1.00 0.00 ATOM 652 CZ TYR 134 -6.634 5.122 -11.121 1.00 0.00 ATOM 653 OH TYR 134 -7.625 5.918 -11.648 1.00 0.00 ATOM 654 O TYR 134 -4.487 2.367 -6.581 1.00 0.00 ATOM 655 C TYR 134 -3.987 3.351 -7.109 1.00 0.00 ATOM 656 N ARG 135 -4.344 4.584 -6.792 1.00 0.00 ATOM 657 CA ARG 135 -5.470 4.886 -5.912 1.00 0.00 ATOM 658 CB ARG 135 -5.082 5.962 -4.896 1.00 0.00 ATOM 659 CG ARG 135 -6.210 6.369 -3.961 1.00 0.00 ATOM 660 CD ARG 135 -6.455 5.309 -2.900 1.00 0.00 ATOM 661 NE ARG 135 -7.456 5.732 -1.923 1.00 0.00 ATOM 662 CZ ARG 135 -7.831 5.007 -0.874 1.00 0.00 ATOM 663 NH1 ARG 135 -8.748 5.476 -0.038 1.00 0.00 ATOM 664 NH2 ARG 135 -7.289 3.816 -0.664 1.00 0.00 ATOM 665 O ARG 135 -6.554 6.124 -7.649 1.00 0.00 ATOM 666 C ARG 135 -6.685 5.338 -6.726 1.00 0.00 ATOM 667 N ARG 136 -7.859 4.852 -6.351 1.00 0.00 ATOM 668 CA ARG 136 -9.123 5.264 -6.942 1.00 0.00 ATOM 669 CB ARG 136 -9.777 4.094 -7.680 1.00 0.00 ATOM 670 CG ARG 136 -11.115 4.431 -8.317 1.00 0.00 ATOM 671 CD ARG 136 -11.652 3.262 -9.126 1.00 0.00 ATOM 672 NE ARG 136 -10.850 3.009 -10.321 1.00 0.00 ATOM 673 CZ ARG 136 -10.989 1.945 -11.103 1.00 0.00 ATOM 674 NH1 ARG 136 -10.214 1.799 -12.170 1.00 0.00 ATOM 675 NH2 ARG 136 -11.901 1.027 -10.816 1.00 0.00 ATOM 676 O ARG 136 -10.141 5.220 -4.775 1.00 0.00 ATOM 677 C ARG 136 -10.037 5.802 -5.854 1.00 0.00 ATOM 678 N ILE 137 -10.742 6.894 -6.147 1.00 0.00 ATOM 679 CA ILE 137 -11.774 7.377 -5.237 1.00 0.00 ATOM 680 CB ILE 137 -12.224 8.805 -5.597 1.00 0.00 ATOM 681 CG1 ILE 137 -12.952 9.450 -4.416 1.00 0.00 ATOM 682 CG2 ILE 137 -13.082 8.793 -6.854 1.00 0.00 ATOM 683 CD1 ILE 137 -13.171 10.939 -4.574 1.00 0.00 ATOM 684 O ILE 137 -13.813 6.537 -4.302 1.00 0.00 ATOM 685 C ILE 137 -12.989 6.453 -5.214 1.00 0.00 ATOM 686 N GLY 138 -13.088 5.582 -6.215 1.00 0.00 ATOM 687 CA GLY 138 -14.230 4.670 -6.345 1.00 0.00 ATOM 688 O GLY 138 -13.050 3.203 -4.851 1.00 0.00 ATOM 689 C GLY 138 -14.056 3.402 -5.518 1.00 0.00 ATOM 690 N SER 139 -15.049 2.528 -5.564 1.00 0.00 ATOM 691 CA SER 139 -14.972 1.297 -4.799 1.00 0.00 ATOM 692 CB SER 139 -16.368 0.703 -4.597 1.00 0.00 ATOM 693 OG SER 139 -16.888 0.202 -5.817 1.00 0.00 ATOM 694 O SER 139 -13.840 0.344 -6.703 1.00 0.00 ATOM 695 C SER 139 -14.063 0.296 -5.496 1.00 0.00 ATOM 696 N SER 140 -13.524 -0.639 -4.725 1.00 0.00 ATOM 697 CA SER 140 -12.722 -1.680 -5.339 1.00 0.00 ATOM 698 CB SER 140 -12.084 -2.567 -4.267 1.00 0.00 ATOM 699 OG SER 140 -13.070 -3.301 -3.561 1.00 0.00 ATOM 700 O SER 140 -12.985 -2.996 -7.281 1.00 0.00 ATOM 701 C SER 140 -13.530 -2.545 -6.298 1.00 0.00 ATOM 702 N ASP 141 -14.810 -2.750 -6.004 1.00 0.00 ATOM 703 CA ASP 141 -15.685 -3.509 -6.917 1.00 0.00 ATOM 704 CB ASP 141 -17.115 -3.545 -6.378 1.00 0.00 ATOM 705 CG ASP 141 -17.274 -4.496 -5.208 1.00 0.00 ATOM 706 OD1 ASP 141 -16.297 -5.201 -4.879 1.00 0.00 ATOM 707 OD2 ASP 141 -18.375 -4.537 -4.620 1.00 0.00 ATOM 708 O ASP 141 -15.696 -3.638 -9.332 1.00 0.00 ATOM 709 C ASP 141 -15.671 -2.908 -8.329 1.00 0.00 TER END