PFRMAT TS TARGET T0397 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 T0397 model 4 Mon May 12 14:01:13 2008 MODEL 4 PARENT N/A ATOM 2 N PRO 4 8.035 -17.076 6.664 1.00 0.00 ATOM 3 CA PRO 4 9.252 -16.270 6.489 1.00 0.00 ATOM 4 CB PRO 4 9.373 -16.109 4.972 1.00 0.00 ATOM 5 CG PRO 4 8.653 -17.290 4.413 1.00 0.00 ATOM 6 CD PRO 4 7.479 -17.531 5.320 1.00 0.00 ATOM 7 O PRO 4 8.190 -14.160 6.961 1.00 0.00 ATOM 8 C PRO 4 9.151 -14.902 7.178 1.00 0.00 ATOM 9 N LYS 5 10.125 -14.587 8.026 1.00 0.00 ATOM 10 CA LYS 5 10.122 -13.318 8.747 1.00 0.00 ATOM 11 CB LYS 5 10.267 -13.557 10.250 1.00 0.00 ATOM 12 CG LYS 5 9.084 -14.271 10.882 1.00 0.00 ATOM 13 CD LYS 5 9.286 -14.459 12.377 1.00 0.00 ATOM 14 CE LYS 5 8.111 -15.193 13.005 1.00 0.00 ATOM 15 NZ LYS 5 8.316 -15.424 14.461 1.00 0.00 ATOM 16 O LYS 5 12.376 -12.866 8.034 1.00 0.00 ATOM 17 C LYS 5 11.270 -12.400 8.314 1.00 0.00 ATOM 18 N ILE 6 10.988 -11.100 8.245 1.00 0.00 ATOM 19 CA ILE 6 11.979 -10.095 7.863 1.00 0.00 ATOM 20 CB ILE 6 11.311 -8.845 7.261 1.00 0.00 ATOM 21 CG1 ILE 6 10.489 -9.222 6.026 1.00 0.00 ATOM 22 CG2 ILE 6 12.363 -7.828 6.846 1.00 0.00 ATOM 23 CD1 ILE 6 11.299 -9.875 4.929 1.00 0.00 ATOM 24 O ILE 6 12.219 -9.419 10.156 1.00 0.00 ATOM 25 C ILE 6 12.784 -9.660 9.086 1.00 0.00 ATOM 26 N ASP 14 14.102 -9.539 8.921 1.00 0.00 ATOM 27 CA ASP 14 14.985 -9.153 10.025 1.00 0.00 ATOM 28 CB ASP 14 16.449 -9.209 9.584 1.00 0.00 ATOM 29 CG ASP 14 16.959 -10.628 9.433 1.00 0.00 ATOM 30 OD1 ASP 14 16.262 -11.560 9.888 1.00 0.00 ATOM 31 OD2 ASP 14 18.053 -10.809 8.859 1.00 0.00 ATOM 32 O ASP 14 15.057 -7.547 11.799 1.00 0.00 ATOM 33 C ASP 14 14.803 -7.744 10.610 1.00 0.00 ATOM 34 N GLY 15 14.357 -6.781 9.795 1.00 0.00 ATOM 35 CA GLY 15 14.182 -5.393 10.250 1.00 0.00 ATOM 36 O GLY 15 12.108 -5.121 9.077 1.00 0.00 ATOM 37 C GLY 15 12.788 -4.814 10.057 1.00 0.00 ATOM 38 N ASP 16 12.438 -3.884 10.948 1.00 0.00 ATOM 39 CA ASP 16 11.168 -3.153 10.919 1.00 0.00 ATOM 40 CB ASP 16 10.178 -3.761 11.915 1.00 0.00 ATOM 41 CG ASP 16 9.668 -5.120 11.473 1.00 0.00 ATOM 42 OD1 ASP 16 8.909 -5.176 10.485 1.00 0.00 ATOM 43 OD2 ASP 16 10.030 -6.127 12.117 1.00 0.00 ATOM 44 O ASP 16 12.103 -1.378 12.279 1.00 0.00 ATOM 45 C ASP 16 11.416 -1.680 11.296 1.00 0.00 ATOM 46 N ARG 17 10.867 -0.771 10.495 1.00 0.00 ATOM 47 CA ARG 17 11.000 0.669 10.725 1.00 0.00 ATOM 48 CB ARG 17 12.188 1.229 9.940 1.00 0.00 ATOM 49 CG ARG 17 12.118 0.975 8.442 1.00 0.00 ATOM 50 CD ARG 17 13.345 1.525 7.731 1.00 0.00 ATOM 51 NE ARG 17 13.302 2.980 7.613 1.00 0.00 ATOM 52 CZ ARG 17 14.245 3.709 7.026 1.00 0.00 ATOM 53 NH1 ARG 17 14.122 5.029 6.967 1.00 0.00 ATOM 54 NH2 ARG 17 15.310 3.117 6.500 1.00 0.00 ATOM 55 O ARG 17 8.997 0.788 9.437 1.00 0.00 ATOM 56 C ARG 17 9.718 1.340 10.260 1.00 0.00 ATOM 57 N VAL 18 9.436 2.532 10.772 1.00 0.00 ATOM 58 CA VAL 18 8.208 3.230 10.398 1.00 0.00 ATOM 59 CB VAL 18 7.381 3.623 11.636 1.00 0.00 ATOM 60 CG1 VAL 18 6.986 2.387 12.428 1.00 0.00 ATOM 61 CG2 VAL 18 8.187 4.539 12.545 1.00 0.00 ATOM 62 O VAL 18 9.450 5.077 9.448 1.00 0.00 ATOM 63 C VAL 18 8.357 4.533 9.614 1.00 0.00 ATOM 64 N ALA 19 7.221 4.989 9.106 1.00 0.00 ATOM 65 CA ALA 19 7.101 6.228 8.364 1.00 0.00 ATOM 66 CB ALA 19 6.660 5.951 6.935 1.00 0.00 ATOM 67 O ALA 19 4.922 6.499 9.311 1.00 0.00 ATOM 68 C ALA 19 6.050 6.970 9.174 1.00 0.00 ATOM 69 N ILE 20 6.447 8.091 9.768 1.00 0.00 ATOM 70 CA ILE 20 5.547 8.883 10.594 1.00 0.00 ATOM 71 CB ILE 20 6.271 9.466 11.821 1.00 0.00 ATOM 72 CG1 ILE 20 7.403 10.396 11.380 1.00 0.00 ATOM 73 CG2 ILE 20 6.866 8.350 12.667 1.00 0.00 ATOM 74 CD1 ILE 20 8.022 11.184 12.514 1.00 0.00 ATOM 75 O ILE 20 5.432 10.600 8.899 1.00 0.00 ATOM 76 C ILE 20 4.909 10.085 9.890 1.00 0.00 ATOM 77 N GLU 21 3.754 10.499 10.403 1.00 0.00 ATOM 78 CA GLU 21 3.010 11.614 9.844 1.00 0.00 ATOM 79 CB GLU 21 1.596 11.662 10.428 1.00 0.00 ATOM 80 CG GLU 21 0.708 12.732 9.815 1.00 0.00 ATOM 81 CD GLU 21 0.511 12.543 8.324 1.00 0.00 ATOM 82 OE1 GLU 21 0.125 11.430 7.912 1.00 0.00 ATOM 83 OE2 GLU 21 0.745 13.509 7.567 1.00 0.00 ATOM 84 O GLU 21 4.064 13.211 11.285 1.00 0.00 ATOM 85 C GLU 21 3.679 12.944 10.144 1.00 0.00 ATOM 86 N LYS 22 3.803 13.769 9.105 1.00 0.00 ATOM 87 CA LYS 22 4.407 15.098 9.209 1.00 0.00 ATOM 88 CB LYS 22 4.379 15.807 7.853 1.00 0.00 ATOM 89 CG LYS 22 5.024 17.183 7.858 1.00 0.00 ATOM 90 CD LYS 22 5.024 17.798 6.469 1.00 0.00 ATOM 91 CE LYS 22 5.625 19.194 6.482 1.00 0.00 ATOM 92 NZ LYS 22 5.611 19.818 5.130 1.00 0.00 ATOM 93 O LYS 22 4.250 16.527 11.147 1.00 0.00 ATOM 94 C LYS 22 3.653 15.971 10.216 1.00 0.00 ATOM 95 N ASP 23 2.335 16.062 10.043 1.00 0.00 ATOM 96 CA ASP 23 1.505 16.864 10.937 1.00 0.00 ATOM 97 CB ASP 23 1.338 18.282 10.386 1.00 0.00 ATOM 98 CG ASP 23 0.561 18.314 9.085 1.00 0.00 ATOM 99 OD1 ASP 23 -0.071 17.291 8.745 1.00 0.00 ATOM 100 OD2 ASP 23 0.582 19.362 8.407 1.00 0.00 ATOM 101 O ASP 23 -0.319 15.373 10.424 1.00 0.00 ATOM 102 C ASP 23 0.097 16.295 11.133 1.00 0.00 ATOM 103 N GLY 24 -0.618 16.848 12.114 1.00 0.00 ATOM 104 CA GLY 24 -1.989 16.446 12.424 1.00 0.00 ATOM 105 O GLY 24 -2.578 17.535 10.371 1.00 0.00 ATOM 106 C GLY 24 -2.864 16.668 11.201 1.00 0.00 ATOM 107 N ASN 25 -3.922 15.875 11.081 1.00 0.00 ATOM 108 CA ASN 25 -4.809 16.020 9.944 1.00 0.00 ATOM 109 CB ASN 25 -4.021 16.437 8.700 1.00 0.00 ATOM 110 CG ASN 25 -3.513 17.863 8.783 1.00 0.00 ATOM 111 ND2 ASN 25 -2.461 18.159 8.028 1.00 0.00 ATOM 112 OD1 ASN 25 -4.057 18.685 9.519 1.00 0.00 ATOM 113 O ASN 25 -5.863 13.936 10.445 1.00 0.00 ATOM 114 C ASN 25 -5.553 14.753 9.578 1.00 0.00 ATOM 115 N ALA 26 -5.846 14.612 8.289 1.00 0.00 ATOM 116 CA ALA 26 -6.569 13.459 7.755 1.00 0.00 ATOM 117 CB ALA 26 -8.011 13.833 7.449 1.00 0.00 ATOM 118 O ALA 26 -5.522 13.824 5.634 1.00 0.00 ATOM 119 C ALA 26 -5.884 12.999 6.472 1.00 0.00 ATOM 120 N ILE 27 -5.695 11.690 6.326 1.00 0.00 ATOM 121 CA ILE 27 -5.080 11.133 5.122 1.00 0.00 ATOM 122 CB ILE 27 -4.882 9.610 5.244 1.00 0.00 ATOM 123 CG1 ILE 27 -3.922 9.287 6.390 1.00 0.00 ATOM 124 CG2 ILE 27 -4.302 9.045 3.955 1.00 0.00 ATOM 125 CD1 ILE 27 -2.518 9.814 6.178 1.00 0.00 ATOM 126 O ILE 27 -7.207 11.194 4.016 1.00 0.00 ATOM 127 C ILE 27 -6.000 11.424 3.936 1.00 0.00 ATOM 128 N ILE 28 -5.432 11.938 2.845 1.00 0.00 ATOM 129 CA ILE 28 -6.207 12.288 1.653 1.00 0.00 ATOM 130 CB ILE 28 -6.065 13.783 1.307 1.00 0.00 ATOM 131 CG1 ILE 28 -4.607 14.119 0.990 1.00 0.00 ATOM 132 CG2 ILE 28 -6.517 14.645 2.475 1.00 0.00 ATOM 133 CD1 ILE 28 -4.414 15.501 0.405 1.00 0.00 ATOM 134 O ILE 28 -6.473 11.339 -0.539 1.00 0.00 ATOM 135 C ILE 28 -5.746 11.493 0.447 1.00 0.00 ATOM 136 N PHE 29 -4.502 11.044 0.505 1.00 0.00 ATOM 137 CA PHE 29 -3.931 10.251 -0.568 1.00 0.00 ATOM 138 CB PHE 29 -3.129 11.138 -1.522 1.00 0.00 ATOM 139 CG PHE 29 -1.933 11.787 -0.884 1.00 0.00 ATOM 140 CD1 PHE 29 -0.696 11.169 -0.907 1.00 0.00 ATOM 141 CD2 PHE 29 -2.048 13.018 -0.261 1.00 0.00 ATOM 142 CE1 PHE 29 0.404 11.767 -0.321 1.00 0.00 ATOM 143 CE2 PHE 29 -0.947 13.617 0.326 1.00 0.00 ATOM 144 CZ PHE 29 0.274 12.996 0.298 1.00 0.00 ATOM 145 O PHE 29 -2.410 9.440 1.099 1.00 0.00 ATOM 146 C PHE 29 -3.018 9.210 0.044 1.00 0.00 ATOM 147 N LEU 30 -2.965 8.051 -0.611 1.00 0.00 ATOM 148 CA LEU 30 -2.147 6.915 -0.191 1.00 0.00 ATOM 149 CB LEU 30 -2.854 6.125 0.912 1.00 0.00 ATOM 150 CG LEU 30 -2.038 5.017 1.582 1.00 0.00 ATOM 151 CD1 LEU 30 -0.862 5.603 2.348 1.00 0.00 ATOM 152 CD2 LEU 30 -2.900 4.231 2.557 1.00 0.00 ATOM 153 O LEU 30 -2.396 4.925 -1.518 1.00 0.00 ATOM 154 C LEU 30 -1.984 6.086 -1.462 1.00 0.00 ATOM 155 N GLU 31 -1.417 6.733 -2.485 1.00 0.00 ATOM 156 CA GLU 31 -1.198 6.173 -3.823 1.00 0.00 ATOM 157 CB GLU 31 -0.126 6.970 -4.567 1.00 0.00 ATOM 158 CG GLU 31 0.104 6.514 -5.998 1.00 0.00 ATOM 159 CD GLU 31 -1.036 6.896 -6.922 1.00 0.00 ATOM 160 OE1 GLU 31 -1.966 7.589 -6.462 1.00 0.00 ATOM 161 OE2 GLU 31 -0.999 6.501 -8.107 1.00 0.00 ATOM 162 O GLU 31 0.403 4.415 -3.552 1.00 0.00 ATOM 163 C GLU 31 -0.736 4.724 -3.881 1.00 0.00 ATOM 164 N TYR 44 -1.613 3.857 -4.383 1.00 0.00 ATOM 165 CA TYR 44 -1.328 2.430 -4.492 1.00 0.00 ATOM 166 CB TYR 44 -2.512 1.692 -5.119 1.00 0.00 ATOM 167 CG TYR 44 -2.286 0.208 -5.296 1.00 0.00 ATOM 168 CD1 TYR 44 -2.401 -0.661 -4.219 1.00 0.00 ATOM 169 CD2 TYR 44 -1.960 -0.320 -6.538 1.00 0.00 ATOM 170 CE1 TYR 44 -2.195 -2.020 -4.371 1.00 0.00 ATOM 171 CE2 TYR 44 -1.752 -1.675 -6.710 1.00 0.00 ATOM 172 CZ TYR 44 -1.873 -2.525 -5.612 1.00 0.00 ATOM 173 OH TYR 44 -1.668 -3.877 -5.765 1.00 0.00 ATOM 174 O TYR 44 0.723 1.285 -4.972 1.00 0.00 ATOM 175 C TYR 44 -0.103 2.114 -5.355 1.00 0.00 ATOM 176 N GLN 45 0.040 2.785 -6.491 1.00 0.00 ATOM 177 CA GLN 45 1.200 2.534 -7.354 1.00 0.00 ATOM 178 CB GLN 45 1.129 3.396 -8.617 1.00 0.00 ATOM 179 CG GLN 45 0.040 2.979 -9.592 1.00 0.00 ATOM 180 CD GLN 45 -0.078 3.921 -10.773 1.00 0.00 ATOM 181 OE1 GLN 45 0.596 4.950 -10.828 1.00 0.00 ATOM 182 NE2 GLN 45 -0.937 3.572 -11.723 1.00 0.00 ATOM 183 O GLN 45 3.512 2.089 -6.852 1.00 0.00 ATOM 184 C GLN 45 2.546 2.842 -6.690 1.00 0.00 ATOM 185 N VAL 46 2.590 3.913 -5.900 1.00 0.00 ATOM 186 CA VAL 46 3.804 4.283 -5.188 1.00 0.00 ATOM 187 CB VAL 46 3.663 5.656 -4.507 1.00 0.00 ATOM 188 CG1 VAL 46 4.866 5.937 -3.619 1.00 0.00 ATOM 189 CG2 VAL 46 3.567 6.760 -5.548 1.00 0.00 ATOM 190 O VAL 46 5.229 2.767 -3.993 1.00 0.00 ATOM 191 C VAL 46 4.098 3.228 -4.109 1.00 0.00 ATOM 192 N ILE 47 3.080 2.838 -3.331 1.00 0.00 ATOM 193 CA ILE 47 3.257 1.816 -2.291 1.00 0.00 ATOM 194 CB ILE 47 1.948 1.562 -1.521 1.00 0.00 ATOM 195 CG1 ILE 47 1.572 2.790 -0.688 1.00 0.00 ATOM 196 CG2 ILE 47 2.104 0.374 -0.583 1.00 0.00 ATOM 197 CD1 ILE 47 0.174 2.732 -0.112 1.00 0.00 ATOM 198 O ILE 47 4.608 -0.168 -2.491 1.00 0.00 ATOM 199 C ILE 47 3.701 0.513 -2.968 1.00 0.00 ATOM 200 N TYR 48 3.103 0.221 -4.120 1.00 0.00 ATOM 201 CA TYR 48 3.442 -0.983 -4.863 1.00 0.00 ATOM 202 CB TYR 48 2.589 -1.090 -6.129 1.00 0.00 ATOM 203 CG TYR 48 2.900 -2.304 -6.976 1.00 0.00 ATOM 204 CD1 TYR 48 2.419 -3.558 -6.624 1.00 0.00 ATOM 205 CD2 TYR 48 3.673 -2.189 -8.125 1.00 0.00 ATOM 206 CE1 TYR 48 2.699 -4.672 -7.393 1.00 0.00 ATOM 207 CE2 TYR 48 3.962 -3.291 -8.904 1.00 0.00 ATOM 208 CZ TYR 48 3.467 -4.540 -8.529 1.00 0.00 ATOM 209 OH TYR 48 3.746 -5.648 -9.295 1.00 0.00 ATOM 210 O TYR 48 5.553 -2.055 -5.223 1.00 0.00 ATOM 211 C TYR 48 4.894 -1.012 -5.294 1.00 0.00 ATOM 212 N ASP 49 5.400 0.133 -5.740 1.00 0.00 ATOM 213 CA ASP 49 6.787 0.231 -6.177 1.00 0.00 ATOM 214 CB ASP 49 7.030 1.556 -6.900 1.00 0.00 ATOM 215 CG ASP 49 6.401 1.592 -8.279 1.00 0.00 ATOM 216 OD1 ASP 49 5.995 0.519 -8.774 1.00 0.00 ATOM 217 OD2 ASP 49 6.315 2.691 -8.866 1.00 0.00 ATOM 218 O ASP 49 8.812 -0.456 -5.068 1.00 0.00 ATOM 219 C ASP 49 7.740 0.157 -4.990 1.00 0.00 ATOM 220 N ASP 50 7.337 0.753 -3.875 1.00 0.00 ATOM 221 CA ASP 50 8.172 0.739 -2.688 1.00 0.00 ATOM 222 CB ASP 50 7.514 1.536 -1.559 1.00 0.00 ATOM 223 CG ASP 50 7.558 3.032 -1.799 1.00 0.00 ATOM 224 OD1 ASP 50 8.298 3.465 -2.707 1.00 0.00 ATOM 225 OD2 ASP 50 6.854 3.770 -1.079 1.00 0.00 ATOM 226 O ASP 50 9.499 -1.084 -1.838 1.00 0.00 ATOM 227 C ASP 50 8.384 -0.702 -2.211 1.00 0.00 ATOM 228 N LEU 51 7.314 -1.501 -2.243 1.00 0.00 ATOM 229 CA LEU 51 7.381 -2.900 -1.812 1.00 0.00 ATOM 230 CB LEU 51 5.989 -3.537 -1.845 1.00 0.00 ATOM 231 CG LEU 51 4.990 -3.037 -0.801 1.00 0.00 ATOM 232 CD1 LEU 51 3.607 -3.615 -1.060 1.00 0.00 ATOM 233 CD2 LEU 51 5.422 -3.448 0.599 1.00 0.00 ATOM 234 O LEU 51 9.098 -4.499 -2.292 1.00 0.00 ATOM 235 C LEU 51 8.298 -3.681 -2.736 1.00 0.00 ATOM 236 N ALA 52 8.203 -3.383 -4.024 1.00 0.00 ATOM 237 CA ALA 52 9.007 -4.025 -5.047 1.00 0.00 ATOM 238 CB ALA 52 8.643 -3.487 -6.422 1.00 0.00 ATOM 239 O ALA 52 11.334 -4.687 -4.947 1.00 0.00 ATOM 240 C ALA 52 10.512 -3.769 -4.814 1.00 0.00 ATOM 241 N LYS 53 10.864 -2.533 -4.449 1.00 0.00 ATOM 242 CA LYS 53 12.260 -2.163 -4.177 1.00 0.00 ATOM 243 CB LYS 53 12.379 -0.656 -3.937 1.00 0.00 ATOM 244 CG LYS 53 12.161 0.188 -5.182 1.00 0.00 ATOM 245 CD LYS 53 12.288 1.672 -4.872 1.00 0.00 ATOM 246 CE LYS 53 12.070 2.516 -6.116 1.00 0.00 ATOM 247 NZ LYS 53 12.163 3.972 -5.822 1.00 0.00 ATOM 248 O LYS 53 13.980 -3.155 -2.817 1.00 0.00 ATOM 249 C LYS 53 12.784 -2.884 -2.940 1.00 0.00 ATOM 250 N TYR 54 11.874 -3.164 -2.015 1.00 0.00 ATOM 251 CA TYR 54 12.180 -3.870 -0.775 1.00 0.00 ATOM 252 CB TYR 54 10.982 -3.830 0.175 1.00 0.00 ATOM 253 CG TYR 54 10.671 -2.450 0.711 1.00 0.00 ATOM 254 CD1 TYR 54 11.573 -1.407 0.553 1.00 0.00 ATOM 255 CD2 TYR 54 9.476 -2.198 1.372 1.00 0.00 ATOM 256 CE1 TYR 54 11.298 -0.143 1.040 1.00 0.00 ATOM 257 CE2 TYR 54 9.184 -0.940 1.865 1.00 0.00 ATOM 258 CZ TYR 54 10.107 0.090 1.693 1.00 0.00 ATOM 259 OH TYR 54 9.830 1.347 2.179 1.00 0.00 ATOM 260 O TYR 54 13.175 -6.017 -0.233 1.00 0.00 ATOM 261 C TYR 54 12.527 -5.350 -1.050 1.00 0.00 ATOM 262 N SER 56 12.108 -5.847 -2.214 1.00 0.00 ATOM 263 CA SER 56 12.364 -7.231 -2.579 1.00 0.00 ATOM 264 CB SER 56 13.252 -7.906 -1.533 1.00 0.00 ATOM 265 OG SER 56 14.527 -7.291 -1.471 1.00 0.00 ATOM 266 O SER 56 11.189 -9.280 -2.985 1.00 0.00 ATOM 267 C SER 56 11.103 -8.083 -2.698 1.00 0.00 ATOM 271 N LYS 61 9.295 -8.088 -8.561 1.00 0.00 ATOM 272 CA LYS 61 10.354 -8.201 -9.551 1.00 0.00 ATOM 273 CB LYS 61 10.341 -9.590 -10.192 1.00 0.00 ATOM 274 CG LYS 61 9.147 -9.845 -11.097 1.00 0.00 ATOM 275 CD LYS 61 9.136 -11.277 -11.605 1.00 0.00 ATOM 276 CE LYS 61 7.896 -11.559 -12.440 1.00 0.00 ATOM 277 NZ LYS 61 7.885 -12.950 -12.967 1.00 0.00 ATOM 278 O LYS 61 9.118 -6.870 -11.125 1.00 0.00 ATOM 279 C LYS 61 10.224 -7.188 -10.674 1.00 0.00 ATOM 283 N LYS 78 11.850 -7.601 -13.636 1.00 0.00 ATOM 284 CA LYS 78 11.704 -8.412 -14.839 1.00 0.00 ATOM 285 CB LYS 78 13.034 -8.497 -15.591 1.00 0.00 ATOM 286 CG LYS 78 13.495 -7.177 -16.186 1.00 0.00 ATOM 287 CD LYS 78 14.822 -7.331 -16.912 1.00 0.00 ATOM 288 CE LYS 78 15.252 -6.026 -17.561 1.00 0.00 ATOM 289 NZ LYS 78 16.553 -6.162 -18.272 1.00 0.00 ATOM 290 O LYS 78 11.408 -10.227 -13.290 1.00 0.00 ATOM 291 C LYS 78 11.261 -9.826 -14.446 1.00 0.00 ATOM 292 N ALA 79 10.700 -10.558 -15.407 1.00 0.00 ATOM 293 CA ALA 79 10.188 -11.917 -15.190 1.00 0.00 ATOM 294 CB ALA 79 9.817 -12.563 -16.518 1.00 0.00 ATOM 295 O ALA 79 10.702 -13.674 -13.639 1.00 0.00 ATOM 296 C ALA 79 11.128 -12.920 -14.513 1.00 0.00 ATOM 297 N GLY 80 12.423 -12.888 -14.828 1.00 0.00 ATOM 298 CA GLY 80 13.416 -13.865 -14.359 1.00 0.00 ATOM 299 O GLY 80 14.539 -14.441 -12.311 1.00 0.00 ATOM 300 C GLY 80 13.828 -13.544 -12.918 1.00 0.00 ATOM 301 N THR 81 13.507 -12.442 -12.298 1.00 0.00 ATOM 302 CA THR 81 13.936 -12.116 -10.927 1.00 0.00 ATOM 303 CB THR 81 13.651 -10.642 -10.582 1.00 0.00 ATOM 304 CG2 THR 81 14.106 -10.328 -9.166 1.00 0.00 ATOM 305 OG1 THR 81 14.353 -9.790 -11.495 1.00 0.00 ATOM 306 O THR 81 12.098 -13.184 -9.794 1.00 0.00 ATOM 307 C THR 81 13.293 -12.900 -9.778 1.00 0.00 ATOM 308 N LYS 82 14.097 -13.184 -8.759 1.00 0.00 ATOM 309 CA LYS 82 13.662 -13.903 -7.562 1.00 0.00 ATOM 310 CB LYS 82 14.837 -14.650 -6.929 1.00 0.00 ATOM 311 CG LYS 82 15.386 -15.781 -7.783 1.00 0.00 ATOM 312 CD LYS 82 16.590 -16.436 -7.124 1.00 0.00 ATOM 313 CE LYS 82 17.112 -17.595 -7.957 1.00 0.00 ATOM 314 NZ LYS 82 18.286 -18.252 -7.321 1.00 0.00 ATOM 315 O LYS 82 13.573 -11.778 -6.421 1.00 0.00 ATOM 316 C LYS 82 13.095 -12.911 -6.533 1.00 0.00 ATOM 317 N LEU 83 12.090 -13.354 -5.778 1.00 0.00 ATOM 318 CA LEU 83 11.427 -12.531 -4.765 1.00 0.00 ATOM 319 CB LEU 83 9.907 -12.686 -4.859 1.00 0.00 ATOM 320 CG LEU 83 9.268 -12.300 -6.193 1.00 0.00 ATOM 321 CD1 LEU 83 7.772 -12.578 -6.173 1.00 0.00 ATOM 322 CD2 LEU 83 9.473 -10.821 -6.481 1.00 0.00 ATOM 323 O LEU 83 12.121 -14.081 -3.073 1.00 0.00 ATOM 324 C LEU 83 11.843 -12.916 -3.348 1.00 0.00 ATOM 325 N ILE 84 11.920 -11.930 -2.464 1.00 0.00 ATOM 326 CA ILE 84 12.224 -12.182 -1.059 1.00 0.00 ATOM 327 CB ILE 84 13.083 -11.055 -0.457 1.00 0.00 ATOM 328 CG1 ILE 84 14.342 -10.837 -1.299 1.00 0.00 ATOM 329 CG2 ILE 84 13.507 -11.407 0.961 1.00 0.00 ATOM 330 CD1 ILE 84 15.223 -12.062 -1.410 1.00 0.00 ATOM 331 O ILE 84 10.219 -11.209 -0.151 1.00 0.00 ATOM 332 C ILE 84 10.828 -12.242 -0.433 1.00 0.00 ATOM 333 N GLU 89 10.337 -13.460 -0.218 1.00 0.00 ATOM 334 CA GLU 89 8.996 -13.704 0.322 1.00 0.00 ATOM 335 CB GLU 89 8.733 -15.206 0.449 1.00 0.00 ATOM 336 CG GLU 89 9.567 -15.893 1.519 1.00 0.00 ATOM 337 CD GLU 89 10.949 -16.272 1.026 1.00 0.00 ATOM 338 OE1 GLU 89 11.314 -15.861 -0.095 1.00 0.00 ATOM 339 OE2 GLU 89 11.668 -16.983 1.761 1.00 0.00 ATOM 340 O GLU 89 7.443 -13.102 2.049 1.00 0.00 ATOM 341 C GLU 89 8.626 -13.155 1.706 1.00 0.00 ATOM 342 N GLY 90 9.608 -12.718 2.481 1.00 0.00 ATOM 343 CA GLY 90 9.354 -12.203 3.829 1.00 0.00 ATOM 344 O GLY 90 8.426 -10.269 4.940 1.00 0.00 ATOM 345 C GLY 90 9.094 -10.695 3.990 1.00 0.00 ATOM 346 N TYR 91 9.650 -9.901 3.075 1.00 0.00 ATOM 347 CA TYR 91 9.552 -8.431 3.104 1.00 0.00 ATOM 348 CB TYR 91 10.692 -7.802 2.302 1.00 0.00 ATOM 349 CG TYR 91 10.638 -8.105 0.821 1.00 0.00 ATOM 350 CD1 TYR 91 9.832 -7.356 -0.029 1.00 0.00 ATOM 351 CD2 TYR 91 11.390 -9.137 0.278 1.00 0.00 ATOM 352 CE1 TYR 91 9.776 -7.624 -1.383 1.00 0.00 ATOM 353 CE2 TYR 91 11.346 -9.419 -1.075 1.00 0.00 ATOM 354 CZ TYR 91 10.531 -8.654 -1.905 1.00 0.00 ATOM 355 OH TYR 91 10.476 -8.924 -3.253 1.00 0.00 ATOM 356 O TYR 91 7.525 -8.405 1.783 1.00 0.00 ATOM 357 C TYR 91 8.279 -7.787 2.538 1.00 0.00 ATOM 358 N LYS 92 8.067 -6.524 2.898 1.00 0.00 ATOM 359 CA LYS 92 6.898 -5.806 2.429 1.00 0.00 ATOM 360 CB LYS 92 5.674 -6.725 2.419 1.00 0.00 ATOM 361 CG LYS 92 5.749 -7.850 1.400 1.00 0.00 ATOM 362 CD LYS 92 4.498 -8.711 1.434 1.00 0.00 ATOM 363 CE LYS 92 4.581 -9.845 0.425 1.00 0.00 ATOM 364 NZ LYS 92 3.367 -10.706 0.455 1.00 0.00 ATOM 365 O LYS 92 7.373 -4.170 4.104 1.00 0.00 ATOM 366 C LYS 92 6.559 -4.613 3.298 1.00 0.00 ATOM 367 N VAL 93 5.330 -4.126 3.164 1.00 0.00 ATOM 368 CA VAL 93 4.869 -2.962 3.922 1.00 0.00 ATOM 369 CB VAL 93 4.792 -1.705 3.035 1.00 0.00 ATOM 370 CG1 VAL 93 4.279 -0.518 3.835 1.00 0.00 ATOM 371 CG2 VAL 93 6.168 -1.357 2.486 1.00 0.00 ATOM 372 O VAL 93 2.555 -3.606 3.837 1.00 0.00 ATOM 373 C VAL 93 3.477 -3.163 4.523 1.00 0.00 ATOM 374 N TYR 94 3.327 -2.796 5.793 1.00 0.00 ATOM 375 CA TYR 94 2.045 -2.895 6.480 1.00 0.00 ATOM 376 CB TYR 94 2.192 -3.701 7.772 1.00 0.00 ATOM 377 CG TYR 94 0.885 -3.937 8.498 1.00 0.00 ATOM 378 CD1 TYR 94 0.016 -4.939 8.089 1.00 0.00 ATOM 379 CD2 TYR 94 0.528 -3.155 9.589 1.00 0.00 ATOM 380 CE1 TYR 94 -1.179 -5.161 8.747 1.00 0.00 ATOM 381 CE2 TYR 94 -0.663 -3.363 10.259 1.00 0.00 ATOM 382 CZ TYR 94 -1.518 -4.375 9.828 1.00 0.00 ATOM 383 OH TYR 94 -2.708 -4.595 10.484 1.00 0.00 ATOM 384 O TYR 94 2.239 -0.761 7.569 1.00 0.00 ATOM 385 C TYR 94 1.587 -1.472 6.800 1.00 0.00 ATOM 386 N PRO 95 0.504 -1.038 6.158 1.00 0.00 ATOM 387 CA PRO 95 -0.042 0.292 6.394 1.00 0.00 ATOM 388 CB PRO 95 -0.974 0.526 5.204 1.00 0.00 ATOM 389 CG PRO 95 -1.449 -0.837 4.827 1.00 0.00 ATOM 390 CD PRO 95 -0.287 -1.762 5.060 1.00 0.00 ATOM 391 O PRO 95 -1.299 -0.735 8.178 1.00 0.00 ATOM 392 C PRO 95 -0.793 0.306 7.726 1.00 0.00 ATOM 393 N ILE 96 -0.862 1.477 8.360 1.00 0.00 ATOM 394 CA ILE 96 -1.559 1.615 9.638 1.00 0.00 ATOM 395 CB ILE 96 -0.628 2.174 10.730 1.00 0.00 ATOM 396 CG1 ILE 96 -0.124 3.566 10.342 1.00 0.00 ATOM 397 CG2 ILE 96 0.573 1.264 10.924 1.00 0.00 ATOM 398 CD1 ILE 96 0.580 4.296 11.463 1.00 0.00 ATOM 399 O ILE 96 -3.550 2.653 10.464 1.00 0.00 ATOM 400 C ILE 96 -2.751 2.559 9.534 1.00 0.00 ATOM 401 N MET 97 -2.848 3.279 8.419 1.00 0.00 ATOM 402 CA MET 97 -3.945 4.218 8.192 1.00 0.00 ATOM 403 CB MET 97 -3.511 5.643 8.540 1.00 0.00 ATOM 404 CG MET 97 -3.084 5.827 9.987 1.00 0.00 ATOM 405 SD MET 97 -4.480 5.836 11.128 1.00 0.00 ATOM 406 CE MET 97 -5.107 7.495 10.880 1.00 0.00 ATOM 407 O MET 97 -3.539 3.783 5.882 1.00 0.00 ATOM 408 C MET 97 -4.343 4.159 6.731 1.00 0.00 ATOM 409 N ASP 98 -5.585 4.537 6.447 1.00 0.00 ATOM 410 CA ASP 98 -6.107 4.553 5.081 1.00 0.00 ATOM 411 CB ASP 98 -7.162 3.460 4.899 1.00 0.00 ATOM 412 CG ASP 98 -7.403 3.119 3.441 1.00 0.00 ATOM 413 OD1 ASP 98 -6.709 3.693 2.574 1.00 0.00 ATOM 414 OD2 ASP 98 -8.284 2.279 3.165 1.00 0.00 ATOM 415 O ASP 98 -6.922 6.717 5.772 1.00 0.00 ATOM 416 C ASP 98 -6.739 5.936 4.836 1.00 0.00 ATOM 417 N PHE 99 -7.089 6.227 3.585 1.00 0.00 ATOM 418 CA PHE 99 -7.704 7.505 3.219 1.00 0.00 ATOM 419 CB PHE 99 -8.165 7.479 1.760 1.00 0.00 ATOM 420 CG PHE 99 -8.751 8.778 1.285 1.00 0.00 ATOM 421 CD1 PHE 99 -7.934 9.855 0.989 1.00 0.00 ATOM 422 CD2 PHE 99 -10.118 8.924 1.138 1.00 0.00 ATOM 423 CE1 PHE 99 -8.472 11.051 0.553 1.00 0.00 ATOM 424 CE2 PHE 99 -10.658 10.119 0.701 1.00 0.00 ATOM 425 CZ PHE 99 -9.841 11.181 0.410 1.00 0.00 ATOM 426 O PHE 99 -9.888 7.065 4.125 1.00 0.00 ATOM 427 C PHE 99 -8.926 7.830 4.079 1.00 0.00 ATOM 428 N GLY 100 -8.871 8.968 4.763 1.00 0.00 ATOM 429 CA GLY 100 -9.978 9.402 5.589 1.00 0.00 ATOM 430 O GLY 100 -10.315 10.064 7.856 1.00 0.00 ATOM 431 C GLY 100 -9.672 9.367 7.065 1.00 0.00 ATOM 432 N PHE 101 -8.697 8.543 7.434 1.00 0.00 ATOM 433 CA PHE 101 -8.303 8.382 8.830 1.00 0.00 ATOM 434 CB PHE 101 -7.356 7.192 8.987 1.00 0.00 ATOM 435 CG PHE 101 -8.025 5.858 8.819 1.00 0.00 ATOM 436 CD1 PHE 101 -9.405 5.764 8.750 1.00 0.00 ATOM 437 CD2 PHE 101 -7.277 4.697 8.731 1.00 0.00 ATOM 438 CE1 PHE 101 -10.021 4.537 8.597 1.00 0.00 ATOM 439 CE2 PHE 101 -7.893 3.470 8.576 1.00 0.00 ATOM 440 CZ PHE 101 -9.258 3.386 8.510 1.00 0.00 ATOM 441 O PHE 101 -6.761 10.217 8.701 1.00 0.00 ATOM 442 C PHE 101 -7.587 9.607 9.379 1.00 0.00 ATOM 443 N ARG 102 -7.892 9.936 10.627 1.00 0.00 ATOM 444 CA ARG 102 -7.282 11.069 11.291 1.00 0.00 ATOM 445 CB ARG 102 -8.131 11.512 12.485 1.00 0.00 ATOM 446 CG ARG 102 -9.489 12.078 12.106 1.00 0.00 ATOM 447 CD ARG 102 -10.286 12.472 13.339 1.00 0.00 ATOM 448 NE ARG 102 -10.691 11.309 14.125 1.00 0.00 ATOM 449 CZ ARG 102 -11.178 11.374 15.359 1.00 0.00 ATOM 450 NH1 ARG 102 -11.520 10.263 15.997 1.00 0.00 ATOM 451 NH2 ARG 102 -11.322 12.551 15.954 1.00 0.00 ATOM 452 O ARG 102 -5.707 9.528 12.223 1.00 0.00 ATOM 453 C ARG 102 -5.898 10.658 11.776 1.00 0.00 ATOM 454 N VAL 103 -4.938 11.577 11.679 1.00 0.00 ATOM 455 CA VAL 103 -3.569 11.318 12.113 1.00 0.00 ATOM 456 CB VAL 103 -2.613 11.188 10.913 1.00 0.00 ATOM 457 CG1 VAL 103 -3.002 10.000 10.047 1.00 0.00 ATOM 458 CG2 VAL 103 -2.659 12.444 10.055 1.00 0.00 ATOM 459 O VAL 103 -3.442 13.591 12.891 1.00 0.00 ATOM 460 C VAL 103 -3.023 12.437 12.999 1.00 0.00 ATOM 461 N LEU 104 -2.123 12.065 13.906 1.00 0.00 ATOM 462 CA LEU 104 -1.459 13.002 14.815 1.00 0.00 ATOM 463 CB LEU 104 -1.510 12.480 16.253 1.00 0.00 ATOM 464 CG LEU 104 -2.902 12.232 16.835 1.00 0.00 ATOM 465 CD1 LEU 104 -2.802 11.639 18.233 1.00 0.00 ATOM 466 CD2 LEU 104 -3.686 13.531 16.926 1.00 0.00 ATOM 467 O LEU 104 0.557 12.145 13.851 1.00 0.00 ATOM 468 C LEU 104 -0.008 13.120 14.341 1.00 0.00 ATOM 469 N LYS 105 0.582 14.305 14.469 1.00 0.00 ATOM 470 CA LYS 105 1.980 14.510 14.055 1.00 0.00 ATOM 471 CB LYS 105 2.420 15.946 14.349 1.00 0.00 ATOM 472 CG LYS 105 3.830 16.270 13.881 1.00 0.00 ATOM 473 CD LYS 105 4.170 17.732 14.127 1.00 0.00 ATOM 474 CE LYS 105 5.605 18.038 13.728 1.00 0.00 ATOM 475 NZ LYS 105 5.932 19.480 13.899 1.00 0.00 ATOM 476 O LYS 105 2.901 13.523 16.042 1.00 0.00 ATOM 477 C LYS 105 2.910 13.554 14.810 1.00 0.00 ATOM 478 N GLY 106 3.679 12.770 14.064 1.00 0.00 ATOM 479 CA GLY 106 4.582 11.815 14.684 1.00 0.00 ATOM 480 O GLY 106 4.703 9.504 15.294 1.00 0.00 ATOM 481 C GLY 106 4.013 10.407 14.820 1.00 0.00 ATOM 482 N TYR 107 2.757 10.222 14.415 1.00 0.00 ATOM 483 CA TYR 107 2.093 8.923 14.479 1.00 0.00 ATOM 484 CB TYR 107 0.573 9.099 14.513 1.00 0.00 ATOM 485 CG TYR 107 -0.193 7.797 14.572 1.00 0.00 ATOM 486 CD1 TYR 107 -0.260 7.064 15.751 1.00 0.00 ATOM 487 CD2 TYR 107 -0.846 7.305 13.450 1.00 0.00 ATOM 488 CE1 TYR 107 -0.958 5.873 15.814 1.00 0.00 ATOM 489 CE2 TYR 107 -1.549 6.115 13.495 1.00 0.00 ATOM 490 CZ TYR 107 -1.600 5.400 14.691 1.00 0.00 ATOM 491 OH TYR 107 -2.296 4.214 14.752 1.00 0.00 ATOM 492 O TYR 107 2.526 8.596 12.133 1.00 0.00 ATOM 493 C TYR 107 2.460 8.081 13.254 1.00 0.00 ATOM 494 N ARG 108 2.688 6.786 13.478 1.00 0.00 ATOM 495 CA ARG 108 3.066 5.859 12.408 1.00 0.00 ATOM 496 CB ARG 108 3.379 4.475 12.985 1.00 0.00 ATOM 497 CG ARG 108 4.662 4.418 13.797 1.00 0.00 ATOM 498 CD ARG 108 4.898 3.024 14.359 1.00 0.00 ATOM 499 NE ARG 108 6.140 2.946 15.123 1.00 0.00 ATOM 500 CZ ARG 108 6.220 3.128 16.438 1.00 0.00 ATOM 501 NH1 ARG 108 7.395 3.037 17.048 1.00 0.00 ATOM 502 NH2 ARG 108 5.129 3.400 17.137 1.00 0.00 ATOM 503 O ARG 108 0.813 5.426 11.691 1.00 0.00 ATOM 504 C ARG 108 1.979 5.663 11.359 1.00 0.00 ATOM 505 N LEU 109 2.367 5.769 10.090 1.00 0.00 ATOM 506 CA LEU 109 1.433 5.598 8.986 1.00 0.00 ATOM 507 CB LEU 109 1.557 6.757 7.995 1.00 0.00 ATOM 508 CG LEU 109 1.288 8.156 8.551 1.00 0.00 ATOM 509 CD1 LEU 109 1.527 9.214 7.484 1.00 0.00 ATOM 510 CD2 LEU 109 -0.153 8.278 9.027 1.00 0.00 ATOM 511 O LEU 109 0.841 3.824 7.495 1.00 0.00 ATOM 512 C LEU 109 1.701 4.302 8.234 1.00 0.00 ATOM 513 N ALA 110 2.898 3.745 8.417 1.00 0.00 ATOM 514 CA ALA 110 3.291 2.503 7.759 1.00 0.00 ATOM 515 CB ALA 110 3.542 2.743 6.279 1.00 0.00 ATOM 516 O ALA 110 5.425 2.642 8.829 1.00 0.00 ATOM 517 C ALA 110 4.559 1.911 8.347 1.00 0.00 ATOM 518 N THR 111 4.650 0.584 8.326 1.00 0.00 ATOM 519 CA THR 111 5.830 -0.115 8.824 1.00 0.00 ATOM 520 CB THR 111 5.467 -1.108 9.944 1.00 0.00 ATOM 521 CG2 THR 111 6.711 -1.827 10.441 1.00 0.00 ATOM 522 OG1 THR 111 4.871 -0.401 11.039 1.00 0.00 ATOM 523 O THR 111 5.787 -1.541 6.892 1.00 0.00 ATOM 524 C THR 111 6.471 -0.883 7.679 1.00 0.00 ATOM 525 N LEU 112 7.786 -0.732 7.568 1.00 0.00 ATOM 526 CA LEU 112 8.589 -1.385 6.546 1.00 0.00 ATOM 527 CB LEU 112 9.711 -0.457 6.073 1.00 0.00 ATOM 528 CG LEU 112 9.319 0.611 5.049 1.00 0.00 ATOM 529 CD1 LEU 112 8.172 1.461 5.573 1.00 0.00 ATOM 530 CD2 LEU 112 10.496 1.529 4.753 1.00 0.00 ATOM 531 O LEU 112 9.742 -2.601 8.248 1.00 0.00 ATOM 532 C LEU 112 9.189 -2.646 7.154 1.00 0.00 ATOM 533 N GLU 113 9.021 -3.772 6.465 1.00 0.00 ATOM 534 CA GLU 113 9.581 -5.047 6.906 1.00 0.00 ATOM 535 CB GLU 113 8.506 -6.136 6.891 1.00 0.00 ATOM 536 CG GLU 113 7.400 -5.933 7.914 1.00 0.00 ATOM 537 CD GLU 113 6.392 -7.066 7.915 1.00 0.00 ATOM 538 OE1 GLU 113 6.590 -8.037 7.156 1.00 0.00 ATOM 539 OE2 GLU 113 5.405 -6.981 8.675 1.00 0.00 ATOM 540 O GLU 113 10.410 -5.504 4.715 1.00 0.00 ATOM 541 C GLU 113 10.681 -5.331 5.904 1.00 0.00 ATOM 542 N SER 114 11.926 -5.354 6.367 1.00 0.00 ATOM 543 CA SER 114 13.037 -5.560 5.440 1.00 0.00 ATOM 544 CB SER 114 13.708 -4.227 5.102 1.00 0.00 ATOM 545 OG SER 114 14.327 -3.664 6.245 1.00 0.00 ATOM 546 O SER 114 14.182 -6.743 7.165 1.00 0.00 ATOM 547 C SER 114 14.122 -6.463 5.968 1.00 0.00 ATOM 548 N LYS 115 15.003 -6.863 5.059 1.00 0.00 ATOM 549 CA LYS 115 16.131 -7.727 5.383 1.00 0.00 ATOM 550 CB LYS 115 16.137 -8.961 4.480 1.00 0.00 ATOM 551 CG LYS 115 14.938 -9.874 4.670 1.00 0.00 ATOM 552 CD LYS 115 15.018 -11.089 3.757 1.00 0.00 ATOM 553 CE LYS 115 13.789 -11.972 3.905 1.00 0.00 ATOM 554 NZ LYS 115 13.880 -13.194 3.060 1.00 0.00 ATOM 555 O LYS 115 18.514 -7.621 5.033 1.00 0.00 ATOM 556 C LYS 115 17.462 -6.995 5.194 1.00 0.00 ATOM 557 N LYS 116 17.387 -5.665 5.224 1.00 0.00 ATOM 558 CA LYS 116 18.541 -4.769 5.094 1.00 0.00 ATOM 559 CB LYS 116 18.792 -4.429 3.622 1.00 0.00 ATOM 560 CG LYS 116 20.055 -3.619 3.379 1.00 0.00 ATOM 561 CD LYS 116 20.292 -3.399 1.893 1.00 0.00 ATOM 562 CE LYS 116 21.603 -2.670 1.647 1.00 0.00 ATOM 563 NZ LYS 116 21.838 -2.429 0.196 1.00 0.00 ATOM 564 O LYS 116 17.045 -3.047 5.845 1.00 0.00 ATOM 565 C LYS 116 18.189 -3.511 5.887 1.00 0.00 ATOM 566 N GLY 117 19.157 -2.955 6.642 1.00 0.00 ATOM 567 CA GLY 117 18.912 -1.747 7.444 1.00 0.00 ATOM 568 O GLY 117 18.307 0.566 7.161 1.00 0.00 ATOM 569 C GLY 117 18.865 -0.416 6.671 1.00 0.00 ATOM 570 N ASP 118 19.414 -0.405 5.458 1.00 0.00 ATOM 571 CA ASP 118 19.444 0.789 4.601 1.00 0.00 ATOM 572 CB ASP 118 20.715 0.807 3.751 1.00 0.00 ATOM 573 CG ASP 118 20.840 2.067 2.916 1.00 0.00 ATOM 574 OD1 ASP 118 19.898 2.886 2.934 1.00 0.00 ATOM 575 OD2 ASP 118 21.880 2.234 2.245 1.00 0.00 ATOM 576 O ASP 118 18.301 0.316 2.529 1.00 0.00 ATOM 577 C ASP 118 18.238 0.822 3.653 1.00 0.00 ATOM 578 N LEU 119 17.158 1.462 4.097 1.00 0.00 ATOM 579 CA LEU 119 15.916 1.525 3.326 1.00 0.00 ATOM 580 CB LEU 119 14.794 0.785 4.057 1.00 0.00 ATOM 581 CG LEU 119 15.002 -0.713 4.279 1.00 0.00 ATOM 582 CD1 LEU 119 13.927 -1.276 5.198 1.00 0.00 ATOM 583 CD2 LEU 119 14.940 -1.467 2.960 1.00 0.00 ATOM 584 O LEU 119 14.141 3.108 3.006 1.00 0.00 ATOM 585 C LEU 119 15.361 2.922 3.045 1.00 0.00 TER END