PFRMAT TS TARGET T0514 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 T0514 model 3 Fri Jul 18 13:28:53 2008 MODEL 3 PARENT N/A ATOM 2 N CYS 14 -16.670 3.110 7.495 1.00 0.00 ATOM 3 CA CYS 14 -18.074 2.925 7.213 1.00 0.00 ATOM 4 CB CYS 14 -18.759 4.276 6.997 1.00 0.00 ATOM 5 SG CYS 14 -18.282 5.121 5.472 1.00 0.00 ATOM 6 O CYS 14 -17.236 2.122 5.117 1.00 0.00 ATOM 7 C CYS 14 -18.181 2.071 5.938 1.00 0.00 ATOM 8 N GLY 15 -19.288 1.330 5.783 1.00 0.00 ATOM 9 CA GLY 15 -19.500 0.633 4.509 1.00 0.00 ATOM 10 O GLY 15 -21.520 1.939 4.196 1.00 0.00 ATOM 11 C GLY 15 -20.480 1.458 3.701 1.00 0.00 ATOM 12 N ILE 16 -20.163 1.577 2.414 1.00 0.00 ATOM 13 CA ILE 16 -21.129 2.136 1.454 1.00 0.00 ATOM 14 CB ILE 16 -20.683 3.519 0.944 1.00 0.00 ATOM 15 CG1 ILE 16 -20.553 4.501 2.109 1.00 0.00 ATOM 16 CG2 ILE 16 -21.696 4.075 -0.045 1.00 0.00 ATOM 17 CD1 ILE 16 -21.868 4.832 2.779 1.00 0.00 ATOM 18 O ILE 16 -20.130 0.766 -0.231 1.00 0.00 ATOM 19 C ILE 16 -21.177 1.134 0.320 1.00 0.00 ATOM 20 N GLN 17 -22.386 0.691 -0.050 1.00 0.00 ATOM 21 CA GLN 17 -22.549 -0.276 -1.129 1.00 0.00 ATOM 22 CB GLN 17 -22.145 0.341 -2.469 1.00 0.00 ATOM 23 CG GLN 17 -22.995 1.530 -2.886 1.00 0.00 ATOM 24 CD GLN 17 -22.595 2.085 -4.239 1.00 0.00 ATOM 25 OE1 GLN 17 -21.803 1.480 -4.960 1.00 0.00 ATOM 26 NE2 GLN 17 -23.142 3.245 -4.586 1.00 0.00 ATOM 27 O GLN 17 -21.195 -2.114 -1.916 1.00 0.00 ATOM 28 C GLN 17 -21.693 -1.532 -0.925 1.00 0.00 ATOM 29 N LYS 20 -21.527 -1.904 0.338 1.00 0.00 ATOM 30 CA LYS 20 -20.814 -3.145 0.642 1.00 0.00 ATOM 31 CB LYS 20 -21.151 -4.224 -0.390 1.00 0.00 ATOM 32 CG LYS 20 -22.609 -4.656 -0.382 1.00 0.00 ATOM 33 CD LYS 20 -22.865 -5.750 -1.406 1.00 0.00 ATOM 34 CE LYS 20 -24.327 -6.165 -1.415 1.00 0.00 ATOM 35 NZ LYS 20 -24.575 -7.303 -2.343 1.00 0.00 ATOM 36 O LYS 20 -18.567 -3.949 0.815 1.00 0.00 ATOM 37 C LYS 20 -19.304 -2.969 0.635 1.00 0.00 ATOM 38 N LYS 21 -18.828 -1.751 0.401 1.00 0.00 ATOM 39 CA LYS 21 -17.389 -1.511 0.343 1.00 0.00 ATOM 40 CB LYS 21 -17.048 -0.582 -0.823 1.00 0.00 ATOM 41 CG LYS 21 -17.320 -1.180 -2.194 1.00 0.00 ATOM 42 CD LYS 21 -16.996 -0.191 -3.302 1.00 0.00 ATOM 43 CE LYS 21 -17.316 -0.773 -4.670 1.00 0.00 ATOM 44 NZ LYS 21 -17.039 0.200 -5.764 1.00 0.00 ATOM 45 O LYS 21 -17.516 0.082 2.131 1.00 0.00 ATOM 46 C LYS 21 -16.879 -0.865 1.617 1.00 0.00 ATOM 47 N VAL 22 -15.712 -1.268 2.095 1.00 0.00 ATOM 48 CA VAL 22 -15.197 -0.669 3.330 1.00 0.00 ATOM 49 CB VAL 22 -14.229 -1.621 4.058 1.00 0.00 ATOM 50 CG1 VAL 22 -13.667 -0.957 5.305 1.00 0.00 ATOM 51 CG2 VAL 22 -14.949 -2.894 4.473 1.00 0.00 ATOM 52 O VAL 22 -13.529 0.640 2.185 1.00 0.00 ATOM 53 C VAL 22 -14.447 0.613 3.029 1.00 0.00 ATOM 54 N CYS 23 -14.875 1.682 3.687 1.00 0.00 ATOM 55 CA CYS 23 -14.375 3.033 3.385 1.00 0.00 ATOM 56 CB CYS 23 -15.452 3.856 2.676 1.00 0.00 ATOM 57 SG CYS 23 -16.927 4.174 3.673 1.00 0.00 ATOM 58 O CYS 23 -14.354 3.413 5.728 1.00 0.00 ATOM 59 C CYS 23 -13.973 3.791 4.626 1.00 0.00 ATOM 60 N PHE 24 -13.189 4.843 4.419 1.00 0.00 ATOM 61 CA PHE 24 -12.905 5.787 5.512 1.00 0.00 ATOM 62 CB PHE 24 -11.397 5.986 5.670 1.00 0.00 ATOM 63 CG PHE 24 -11.023 6.964 6.746 1.00 0.00 ATOM 64 CD1 PHE 24 -11.078 6.600 8.081 1.00 0.00 ATOM 65 CD2 PHE 24 -10.616 8.247 6.426 1.00 0.00 ATOM 66 CE1 PHE 24 -10.735 7.501 9.072 1.00 0.00 ATOM 67 CE2 PHE 24 -10.272 9.148 7.417 1.00 0.00 ATOM 68 CZ PHE 24 -10.331 8.779 8.735 1.00 0.00 ATOM 69 O PHE 24 -13.446 7.609 4.039 1.00 0.00 ATOM 70 C PHE 24 -13.567 7.120 5.164 1.00 0.00 ATOM 71 N MET 25 -14.338 7.653 6.106 1.00 0.00 ATOM 72 CA MET 25 -15.053 8.941 5.902 1.00 0.00 ATOM 73 CB MET 25 -15.932 9.264 7.111 1.00 0.00 ATOM 74 CG MET 25 -17.163 8.380 7.238 1.00 0.00 ATOM 75 SD MET 25 -18.233 8.869 8.603 1.00 0.00 ATOM 76 CE MET 25 -17.285 8.284 10.004 1.00 0.00 ATOM 77 O MET 25 -13.163 10.313 6.547 1.00 0.00 ATOM 78 C MET 25 -14.054 10.082 5.713 1.00 0.00 ATOM 79 N HIS 26 -14.218 10.808 4.595 1.00 0.00 ATOM 80 CA HIS 26 -13.394 11.978 4.333 1.00 0.00 ATOM 81 CB HIS 26 -12.791 11.904 2.929 1.00 0.00 ATOM 82 CG HIS 26 -11.846 10.759 2.736 1.00 0.00 ATOM 83 CD2 HIS 26 -10.404 10.577 2.819 1.00 0.00 ATOM 84 ND1 HIS 26 -12.271 9.493 2.396 1.00 0.00 ATOM 85 CE1 HIS 26 -11.201 8.684 2.296 1.00 0.00 ATOM 86 NE2 HIS 26 -10.078 9.328 2.549 1.00 0.00 ATOM 87 O HIS 26 -13.519 14.370 4.532 1.00 0.00 ATOM 88 C HIS 26 -14.162 13.304 4.413 1.00 0.00 ATOM 89 N ARG 27 -15.492 13.266 4.318 1.00 0.00 ATOM 90 CA ARG 27 -16.285 14.488 4.570 1.00 0.00 ATOM 91 CB ARG 27 -16.532 15.245 3.264 1.00 0.00 ATOM 92 CG ARG 27 -17.177 16.608 3.449 1.00 0.00 ATOM 93 CD ARG 27 -17.314 17.339 2.124 1.00 0.00 ATOM 94 NE ARG 27 -18.045 18.596 2.265 1.00 0.00 ATOM 95 CZ ARG 27 -18.043 19.568 1.359 1.00 0.00 ATOM 96 NH1 ARG 27 -18.736 20.678 1.574 1.00 0.00 ATOM 97 NH2 ARG 27 -17.344 19.428 0.241 1.00 0.00 ATOM 98 O ARG 27 -18.174 13.054 4.824 1.00 0.00 ATOM 99 C ARG 27 -17.602 14.091 5.171 1.00 0.00 ATOM 100 N GLN 28 -18.086 14.922 6.074 1.00 0.00 ATOM 101 CA GLN 28 -19.418 14.745 6.634 1.00 0.00 ATOM 102 CB GLN 28 -19.332 14.199 8.060 1.00 0.00 ATOM 103 CG GLN 28 -18.692 12.825 8.161 1.00 0.00 ATOM 104 CD GLN 28 -18.668 12.296 9.582 1.00 0.00 ATOM 105 OE1 GLN 28 -19.016 13.005 10.525 1.00 0.00 ATOM 106 NE2 GLN 28 -18.254 11.043 9.739 1.00 0.00 ATOM 107 O GLN 28 -19.530 17.158 6.834 1.00 0.00 ATOM 108 C GLN 28 -20.148 16.064 6.667 1.00 0.00 ATOM 109 N GLU 29 -21.468 16.006 6.507 1.00 0.00 ATOM 110 CA GLU 29 -22.277 17.229 6.608 1.00 0.00 ATOM 111 CB GLU 29 -22.512 17.833 5.222 1.00 0.00 ATOM 112 CG GLU 29 -23.262 19.154 5.239 1.00 0.00 ATOM 113 CD GLU 29 -23.437 19.743 3.853 1.00 0.00 ATOM 114 OE1 GLU 29 -22.985 19.108 2.876 1.00 0.00 ATOM 115 OE2 GLU 29 -24.026 20.838 3.743 1.00 0.00 ATOM 116 O GLU 29 -23.990 15.625 7.053 1.00 0.00 ATOM 117 C GLU 29 -23.588 16.787 7.242 1.00 0.00 ATOM 118 N VAL 30 -24.233 17.664 8.007 1.00 0.00 ATOM 119 CA VAL 30 -25.532 17.327 8.572 1.00 0.00 ATOM 120 CB VAL 30 -25.462 17.185 10.104 1.00 0.00 ATOM 121 CG1 VAL 30 -26.840 16.883 10.674 1.00 0.00 ATOM 122 CG2 VAL 30 -24.522 16.054 10.492 1.00 0.00 ATOM 123 O VAL 30 -26.140 19.645 8.150 1.00 0.00 ATOM 124 C VAL 30 -26.509 18.471 8.201 1.00 0.00 ATOM 125 N ASN 31 -27.744 18.118 7.873 1.00 0.00 ATOM 126 CA ASN 31 -28.774 19.117 7.603 1.00 0.00 ATOM 127 CB ASN 31 -30.005 18.460 6.975 1.00 0.00 ATOM 128 CG ASN 31 -29.758 18.006 5.550 1.00 0.00 ATOM 129 ND2 ASN 31 -30.610 17.111 5.059 1.00 0.00 ATOM 130 OD1 ASN 31 -28.814 18.453 4.899 1.00 0.00 ATOM 131 O ASN 31 -28.870 19.224 10.012 1.00 0.00 ATOM 132 C ASN 31 -29.158 19.771 8.942 1.00 0.00 ATOM 133 N ASP 32 -29.806 20.936 8.905 1.00 0.00 ATOM 134 CA ASP 32 -30.374 21.491 10.134 1.00 0.00 ATOM 135 CB ASP 32 -31.128 22.788 9.838 1.00 0.00 ATOM 136 CG ASP 32 -31.530 23.529 11.098 1.00 0.00 ATOM 137 OD1 ASP 32 -31.119 23.100 12.197 1.00 0.00 ATOM 138 OD2 ASP 32 -32.257 24.540 10.988 1.00 0.00 ATOM 139 O ASP 32 -32.018 19.725 9.990 1.00 0.00 ATOM 140 C ASP 32 -31.346 20.456 10.733 1.00 0.00 ATOM 144 N VAL 38 -27.670 12.970 7.482 1.00 0.00 ATOM 145 CA VAL 38 -26.200 12.914 7.456 1.00 0.00 ATOM 146 CB VAL 38 -25.659 11.839 8.416 1.00 0.00 ATOM 147 CG1 VAL 38 -24.151 11.706 8.270 1.00 0.00 ATOM 148 CG2 VAL 38 -25.971 12.207 9.858 1.00 0.00 ATOM 149 O VAL 38 -26.174 11.557 5.465 1.00 0.00 ATOM 150 C VAL 38 -25.757 12.579 6.030 1.00 0.00 ATOM 151 N ALA 39 -24.875 13.414 5.468 1.00 0.00 ATOM 152 CA ALA 39 -24.311 13.187 4.124 1.00 0.00 ATOM 153 CB ALA 39 -24.470 14.432 3.265 1.00 0.00 ATOM 154 O ALA 39 -22.096 13.633 4.918 1.00 0.00 ATOM 155 C ALA 39 -22.842 12.857 4.265 1.00 0.00 ATOM 156 N MET 40 -22.412 11.757 3.640 1.00 0.00 ATOM 157 CA MET 40 -21.091 11.179 3.854 1.00 0.00 ATOM 158 CB MET 40 -21.213 9.755 4.399 1.00 0.00 ATOM 159 CG MET 40 -21.859 9.667 5.772 1.00 0.00 ATOM 160 SD MET 40 -22.027 7.970 6.356 1.00 0.00 ATOM 161 CE MET 40 -23.300 7.358 5.255 1.00 0.00 ATOM 162 O MET 40 -20.968 10.814 1.488 1.00 0.00 ATOM 163 C MET 40 -20.349 11.151 2.510 1.00 0.00 ATOM 164 N SER 41 -19.037 11.454 2.496 1.00 0.00 ATOM 165 CA SER 41 -18.171 11.154 1.345 1.00 0.00 ATOM 166 CB SER 41 -17.643 12.446 0.720 1.00 0.00 ATOM 167 OG SER 41 -16.763 12.170 -0.355 1.00 0.00 ATOM 168 O SER 41 -16.574 10.624 3.067 1.00 0.00 ATOM 169 C SER 41 -17.060 10.318 1.965 1.00 0.00 ATOM 170 N VAL 42 -16.727 9.201 1.310 1.00 0.00 ATOM 171 CA VAL 42 -15.749 8.268 1.907 1.00 0.00 ATOM 172 CB VAL 42 -16.448 7.152 2.705 1.00 0.00 ATOM 173 CG1 VAL 42 -17.219 7.738 3.879 1.00 0.00 ATOM 174 CG2 VAL 42 -17.425 6.397 1.818 1.00 0.00 ATOM 175 O VAL 42 -15.357 7.613 -0.338 1.00 0.00 ATOM 176 C VAL 42 -14.937 7.640 0.814 1.00 0.00 ATOM 177 N VAL 43 -13.751 7.203 1.188 1.00 0.00 ATOM 178 CA VAL 43 -12.799 6.609 0.237 1.00 0.00 ATOM 179 CB VAL 43 -11.420 7.290 0.317 1.00 0.00 ATOM 180 CG1 VAL 43 -10.444 6.634 -0.647 1.00 0.00 ATOM 181 CG2 VAL 43 -11.532 8.764 -0.040 1.00 0.00 ATOM 182 O VAL 43 -12.317 4.745 1.701 1.00 0.00 ATOM 183 C VAL 43 -12.631 5.127 0.561 1.00 0.00 ATOM 184 N LEU 44 -12.876 4.314 -0.469 1.00 0.00 ATOM 185 CA LEU 44 -12.692 2.866 -0.391 1.00 0.00 ATOM 186 CB LEU 44 -13.013 2.212 -1.736 1.00 0.00 ATOM 187 CG LEU 44 -12.964 0.684 -1.777 1.00 0.00 ATOM 188 CD1 LEU 44 -14.034 0.087 -0.875 1.00 0.00 ATOM 189 CD2 LEU 44 -13.196 0.174 -3.192 1.00 0.00 ATOM 190 O LEU 44 -10.306 3.036 -0.685 1.00 0.00 ATOM 191 C LEU 44 -11.252 2.557 -0.025 1.00 0.00 ATOM 192 N ASN 45 -11.074 1.816 1.068 1.00 0.00 ATOM 193 CA ASN 45 -9.712 1.602 1.586 1.00 0.00 ATOM 194 CB ASN 45 -9.762 0.936 2.964 1.00 0.00 ATOM 195 CG ASN 45 -10.240 1.879 4.050 1.00 0.00 ATOM 196 ND2 ASN 45 -10.712 1.317 5.156 1.00 0.00 ATOM 197 OD1 ASN 45 -10.184 3.100 3.894 1.00 0.00 ATOM 198 O ASN 45 -7.620 0.671 0.838 1.00 0.00 ATOM 199 C ASN 45 -8.870 0.710 0.690 1.00 0.00 ATOM 200 N ALA 46 -9.523 -0.011 -0.227 1.00 0.00 ATOM 201 CA ALA 46 -8.801 -0.908 -1.128 1.00 0.00 ATOM 202 CB ALA 46 -9.497 -2.259 -1.200 1.00 0.00 ATOM 203 O ALA 46 -7.662 -0.716 -3.204 1.00 0.00 ATOM 204 C ALA 46 -8.674 -0.436 -2.551 1.00 0.00 ATOM 205 N ASP 47 -9.707 0.248 -3.060 1.00 0.00 ATOM 206 CA ASP 47 -9.641 0.698 -4.465 1.00 0.00 ATOM 207 CB ASP 47 -10.976 0.454 -5.169 1.00 0.00 ATOM 208 CG ASP 47 -11.256 -1.019 -5.395 1.00 0.00 ATOM 209 OD1 ASP 47 -10.314 -1.828 -5.271 1.00 0.00 ATOM 210 OD2 ASP 47 -12.419 -1.364 -5.695 1.00 0.00 ATOM 211 O ASP 47 -8.970 2.671 -5.701 1.00 0.00 ATOM 212 C ASP 47 -9.324 2.193 -4.592 1.00 0.00 ATOM 213 N GLY 48 -9.509 2.923 -3.500 1.00 0.00 ATOM 214 CA GLY 48 -9.283 4.369 -3.521 1.00 0.00 ATOM 215 O GLY 48 -10.365 6.362 -4.270 1.00 0.00 ATOM 216 C GLY 48 -10.426 5.130 -4.143 1.00 0.00 ATOM 217 N VAL 49 -11.495 4.430 -4.522 1.00 0.00 ATOM 218 CA VAL 49 -12.652 5.120 -5.128 1.00 0.00 ATOM 219 CB VAL 49 -13.665 4.117 -5.711 1.00 0.00 ATOM 220 CG1 VAL 49 -14.933 4.834 -6.150 1.00 0.00 ATOM 221 CG2 VAL 49 -13.073 3.403 -6.917 1.00 0.00 ATOM 222 O VAL 49 -13.460 5.656 -2.915 1.00 0.00 ATOM 223 C VAL 49 -13.407 5.971 -4.138 1.00 0.00 ATOM 224 N VAL 50 -14.007 7.038 -4.657 1.00 0.00 ATOM 225 CA VAL 50 -14.820 7.954 -3.839 1.00 0.00 ATOM 226 CB VAL 50 -14.736 9.400 -4.362 1.00 0.00 ATOM 227 CG1 VAL 50 -15.641 10.314 -3.548 1.00 0.00 ATOM 228 CG2 VAL 50 -13.312 9.923 -4.262 1.00 0.00 ATOM 229 O VAL 50 -16.858 7.333 -4.979 1.00 0.00 ATOM 230 C VAL 50 -16.265 7.498 -3.888 1.00 0.00 ATOM 231 N SER 51 -16.838 7.280 -2.707 1.00 0.00 ATOM 232 CA SER 51 -18.230 6.845 -2.605 1.00 0.00 ATOM 233 CB SER 51 -18.312 5.448 -1.986 1.00 0.00 ATOM 234 OG SER 51 -17.661 4.491 -2.803 1.00 0.00 ATOM 235 O SER 51 -18.408 8.497 -0.842 1.00 0.00 ATOM 236 C SER 51 -18.990 7.832 -1.725 1.00 0.00 ATOM 240 N ASN 53 -29.020 3.134 11.222 1.00 0.00 ATOM 241 CA ASN 53 -27.751 2.520 11.510 1.00 0.00 ATOM 242 CB ASN 53 -27.950 1.222 12.296 1.00 0.00 ATOM 243 CG ASN 53 -26.644 0.637 12.794 1.00 0.00 ATOM 244 ND2 ASN 53 -26.727 -0.202 13.820 1.00 0.00 ATOM 245 OD1 ASN 53 -25.575 0.934 12.261 1.00 0.00 ATOM 246 O ASN 53 -27.460 1.389 9.429 1.00 0.00 ATOM 247 C ASN 53 -26.978 2.177 10.233 1.00 0.00 ATOM 248 N LEU 54 -25.831 2.798 10.086 1.00 0.00 ATOM 249 CA LEU 54 -24.899 2.438 8.989 1.00 0.00 ATOM 250 CB LEU 54 -23.905 3.573 8.735 1.00 0.00 ATOM 251 CG LEU 54 -24.500 4.905 8.275 1.00 0.00 ATOM 252 CD1 LEU 54 -23.417 5.967 8.162 1.00 0.00 ATOM 253 CD2 LEU 54 -25.164 4.756 6.914 1.00 0.00 ATOM 254 O LEU 54 -24.216 0.813 10.636 1.00 0.00 ATOM 255 C LEU 54 -24.160 1.173 9.435 1.00 0.00 ATOM 256 N THR 55 -23.559 0.443 8.490 1.00 0.00 ATOM 257 CA THR 55 -22.696 -0.686 8.876 1.00 0.00 ATOM 258 CB THR 55 -22.851 -1.874 7.906 1.00 0.00 ATOM 259 CG2 THR 55 -21.927 -3.012 8.308 1.00 0.00 ATOM 260 OG1 THR 55 -24.204 -2.342 7.933 1.00 0.00 ATOM 261 O THR 55 -20.820 0.509 7.969 1.00 0.00 ATOM 262 C THR 55 -21.257 -0.219 8.856 1.00 0.00 ATOM 263 N VAL 56 -20.502 -0.614 9.881 1.00 0.00 ATOM 264 CA VAL 56 -19.079 -0.279 10.000 1.00 0.00 ATOM 265 CB VAL 56 -18.762 0.357 11.366 1.00 0.00 ATOM 266 CG1 VAL 56 -17.273 0.648 11.485 1.00 0.00 ATOM 267 CG2 VAL 56 -19.523 1.663 11.535 1.00 0.00 ATOM 268 O VAL 56 -18.669 -2.562 10.489 1.00 0.00 ATOM 269 C VAL 56 -18.343 -1.589 9.843 1.00 0.00 ATOM 270 N PRO 57 -17.332 -1.653 8.983 1.00 0.00 ATOM 271 CA PRO 57 -16.609 -2.920 8.834 1.00 0.00 ATOM 272 CB PRO 57 -15.802 -2.738 7.548 1.00 0.00 ATOM 273 CG PRO 57 -15.454 -1.288 7.527 1.00 0.00 ATOM 274 CD PRO 57 -16.672 -0.559 8.022 1.00 0.00 ATOM 275 O PRO 57 -15.034 -2.212 10.502 1.00 0.00 ATOM 276 C PRO 57 -15.711 -3.163 10.027 1.00 0.00 ATOM 277 N PHE 58 -2.372 -6.743 9.996 1.00 0.00 ATOM 278 CA PHE 58 -1.240 -7.598 10.368 1.00 0.00 ATOM 279 CB PHE 58 -1.539 -9.060 10.029 1.00 0.00 ATOM 280 CG PHE 58 -2.560 -9.695 10.932 1.00 0.00 ATOM 281 CD1 PHE 58 -3.873 -9.840 10.522 1.00 0.00 ATOM 282 CD2 PHE 58 -2.204 -10.146 12.191 1.00 0.00 ATOM 283 CE1 PHE 58 -4.811 -10.424 11.352 1.00 0.00 ATOM 284 CE2 PHE 58 -3.143 -10.730 13.021 1.00 0.00 ATOM 285 CZ PHE 58 -4.441 -10.870 12.607 1.00 0.00 ATOM 286 O PHE 58 -0.097 -6.778 8.464 1.00 0.00 ATOM 287 C PHE 58 -0.010 -7.171 9.618 1.00 0.00 ATOM 288 N GLY 59 1.144 -7.285 10.270 1.00 0.00 ATOM 289 CA GLY 59 2.376 -6.827 9.634 1.00 0.00 ATOM 290 O GLY 59 3.481 -8.855 10.302 1.00 0.00 ATOM 291 C GLY 59 3.269 -8.038 9.390 1.00 0.00 ATOM 292 N ILE 60 3.757 -8.130 8.158 1.00 0.00 ATOM 293 CA ILE 60 4.605 -9.234 7.711 1.00 0.00 ATOM 294 CB ILE 60 3.942 -10.028 6.570 1.00 0.00 ATOM 295 CG1 ILE 60 3.695 -9.121 5.363 1.00 0.00 ATOM 296 CG2 ILE 60 2.607 -10.599 7.023 1.00 0.00 ATOM 297 CD1 ILE 60 4.867 -9.044 4.408 1.00 0.00 ATOM 298 O ILE 60 5.981 -7.527 6.804 1.00 0.00 ATOM 299 C ILE 60 5.912 -8.672 7.215 1.00 0.00 ATOM 300 N LEU 61 6.972 -9.494 7.208 1.00 0.00 ATOM 301 CA LEU 61 8.196 -9.057 6.475 1.00 0.00 ATOM 302 CB LEU 61 9.454 -9.422 7.266 1.00 0.00 ATOM 303 CG LEU 61 9.570 -8.822 8.668 1.00 0.00 ATOM 304 CD1 LEU 61 10.823 -9.327 9.368 1.00 0.00 ATOM 305 CD2 LEU 61 9.646 -7.303 8.598 1.00 0.00 ATOM 306 O LEU 61 7.725 -10.847 4.940 1.00 0.00 ATOM 307 C LEU 61 8.251 -9.741 5.125 1.00 0.00 ATOM 308 N VAL 62 8.933 -9.109 4.187 1.00 0.00 ATOM 309 CA VAL 62 8.982 -9.652 2.835 1.00 0.00 ATOM 310 CB VAL 62 9.082 -8.535 1.781 1.00 0.00 ATOM 311 CG1 VAL 62 9.146 -9.126 0.381 1.00 0.00 ATOM 312 CG2 VAL 62 7.871 -7.617 1.860 1.00 0.00 ATOM 313 O VAL 62 11.356 -10.138 2.830 1.00 0.00 ATOM 314 C VAL 62 10.199 -10.573 2.658 1.00 0.00 ATOM 315 N SER 63 2.632 -14.416 -15.922 1.00 0.00 ATOM 316 CA SER 63 2.131 -13.360 -16.791 1.00 0.00 ATOM 317 CB SER 63 0.601 -13.322 -16.761 1.00 0.00 ATOM 318 OG SER 63 0.100 -12.298 -17.601 1.00 0.00 ATOM 319 O SER 63 2.183 -11.465 -15.299 1.00 0.00 ATOM 320 C SER 63 2.697 -12.034 -16.276 1.00 0.00 ATOM 321 N LYS 64 3.762 -11.556 -16.921 1.00 0.00 ATOM 322 CA LYS 64 4.461 -10.329 -16.502 1.00 0.00 ATOM 323 CB LYS 64 5.567 -9.977 -17.499 1.00 0.00 ATOM 324 CG LYS 64 6.718 -10.970 -17.526 1.00 0.00 ATOM 325 CD LYS 64 7.791 -10.545 -18.513 1.00 0.00 ATOM 326 CE LYS 64 8.933 -11.548 -18.556 1.00 0.00 ATOM 327 NZ LYS 64 9.986 -11.152 -19.531 1.00 0.00 ATOM 328 O LYS 64 3.971 -8.121 -15.751 1.00 0.00 ATOM 329 C LYS 64 3.569 -9.085 -16.397 1.00 0.00 ATOM 333 N VAL 66 3.181 -8.831 -9.088 1.00 0.00 ATOM 334 CA VAL 66 4.143 -9.826 -8.631 1.00 0.00 ATOM 335 CB VAL 66 5.495 -9.181 -8.273 1.00 0.00 ATOM 336 CG1 VAL 66 6.378 -10.171 -7.529 1.00 0.00 ATOM 337 CG2 VAL 66 6.224 -8.736 -9.532 1.00 0.00 ATOM 338 O VAL 66 2.784 -9.954 -6.688 1.00 0.00 ATOM 339 C VAL 66 3.602 -10.517 -7.405 1.00 0.00 ATOM 340 N ARG 67 4.075 -11.735 -7.159 1.00 0.00 ATOM 341 CA ARG 67 3.689 -12.471 -5.958 1.00 0.00 ATOM 342 CB ARG 67 3.772 -13.979 -6.204 1.00 0.00 ATOM 343 CG ARG 67 2.765 -14.499 -7.217 1.00 0.00 ATOM 344 CD ARG 67 2.839 -16.012 -7.342 1.00 0.00 ATOM 345 NE ARG 67 1.979 -16.515 -8.410 1.00 0.00 ATOM 346 CZ ARG 67 1.878 -17.797 -8.747 1.00 0.00 ATOM 347 NH1 ARG 67 1.070 -18.163 -9.732 1.00 0.00 ATOM 348 NH2 ARG 67 2.587 -18.711 -8.097 1.00 0.00 ATOM 349 O ARG 67 5.804 -11.880 -4.995 1.00 0.00 ATOM 350 C ARG 67 4.617 -12.119 -4.792 1.00 0.00 ATOM 351 N LEU 68 4.070 -12.099 -3.588 1.00 0.00 ATOM 352 CA LEU 68 4.888 -11.845 -2.405 1.00 0.00 ATOM 353 CB LEU 68 4.250 -10.760 -1.535 1.00 0.00 ATOM 354 CG LEU 68 4.051 -9.393 -2.194 1.00 0.00 ATOM 355 CD1 LEU 68 3.332 -8.442 -1.250 1.00 0.00 ATOM 356 CD2 LEU 68 5.391 -8.775 -2.563 1.00 0.00 ATOM 357 O LEU 68 4.094 -13.940 -1.535 1.00 0.00 ATOM 358 C LEU 68 5.020 -13.120 -1.577 1.00 0.00 ATOM 359 N GLN 69 6.194 -13.329 -0.972 1.00 0.00 ATOM 360 CA GLN 69 6.345 -14.379 0.036 1.00 0.00 ATOM 361 CB GLN 69 7.549 -15.265 -0.290 1.00 0.00 ATOM 362 CG GLN 69 7.404 -16.065 -1.574 1.00 0.00 ATOM 363 CD GLN 69 8.648 -16.863 -1.908 1.00 0.00 ATOM 364 OE1 GLN 69 9.594 -16.913 -1.123 1.00 0.00 ATOM 365 NE2 GLN 69 8.650 -17.492 -3.078 1.00 0.00 ATOM 366 O GLN 69 7.452 -12.723 1.409 1.00 0.00 ATOM 367 C GLN 69 6.543 -13.608 1.335 1.00 0.00 ATOM 368 N VAL 70 5.712 -13.888 2.362 1.00 0.00 ATOM 369 CA VAL 70 5.635 -13.002 3.541 1.00 0.00 ATOM 370 CB VAL 70 4.285 -12.262 3.603 1.00 0.00 ATOM 371 CG1 VAL 70 4.209 -11.201 2.517 1.00 0.00 ATOM 372 CG2 VAL 70 3.135 -13.237 3.404 1.00 0.00 ATOM 373 O VAL 70 5.216 -14.859 4.903 1.00 0.00 ATOM 374 C VAL 70 5.784 -13.788 4.803 1.00 0.00 ATOM 375 N ASP 71 5.236 -14.126 8.929 1.00 0.00 ATOM 376 CA ASP 71 4.552 -13.580 10.076 1.00 0.00 ATOM 377 CB ASP 71 3.293 -14.391 10.384 1.00 0.00 ATOM 378 CG ASP 71 3.604 -15.802 10.842 1.00 0.00 ATOM 379 OD1 ASP 71 4.787 -16.086 11.129 1.00 0.00 ATOM 380 OD2 ASP 71 2.667 -16.625 10.916 1.00 0.00 ATOM 381 O ASP 71 6.602 -13.965 11.314 1.00 0.00 ATOM 382 C ASP 71 5.420 -13.590 11.340 1.00 0.00 ATOM 383 N GLU 72 4.850 -13.163 12.479 1.00 0.00 ATOM 384 CA GLU 72 5.708 -13.020 13.643 1.00 0.00 ATOM 385 CB GLU 72 5.133 -11.982 14.610 1.00 0.00 ATOM 386 CG GLU 72 5.132 -10.563 14.066 1.00 0.00 ATOM 387 CD GLU 72 4.512 -9.570 15.030 1.00 0.00 ATOM 388 OE1 GLU 72 4.060 -9.997 16.113 1.00 0.00 ATOM 389 OE2 GLU 72 4.477 -8.366 14.702 1.00 0.00 ATOM 390 O GLU 72 6.569 -14.294 15.493 1.00 0.00 ATOM 391 C GLU 72 5.894 -14.295 14.449 1.00 0.00 ATOM 392 N GLY 73 5.319 -15.387 13.955 1.00 0.00 ATOM 393 CA GLY 73 5.514 -16.704 14.549 1.00 0.00 ATOM 394 O GLY 73 6.279 -18.861 13.856 1.00 0.00 ATOM 395 C GLY 73 6.303 -17.643 13.645 1.00 0.00 ATOM 396 N LYS 74 7.002 -17.093 12.638 1.00 0.00 ATOM 397 CA LYS 74 7.821 -17.974 11.827 1.00 0.00 ATOM 398 CB LYS 74 8.493 -19.036 12.700 1.00 0.00 ATOM 399 CG LYS 74 9.461 -18.472 13.729 1.00 0.00 ATOM 400 CD LYS 74 10.138 -19.582 14.516 1.00 0.00 ATOM 401 CE LYS 74 11.080 -19.017 15.566 1.00 0.00 ATOM 402 NZ LYS 74 11.799 -20.094 16.303 1.00 0.00 ATOM 403 O LYS 74 7.671 -19.631 10.125 1.00 0.00 ATOM 404 C LYS 74 7.074 -18.738 10.740 1.00 0.00 ATOM 405 N ALA 75 5.819 -18.357 10.455 1.00 0.00 ATOM 406 CA ALA 75 5.079 -19.029 9.369 1.00 0.00 ATOM 407 CB ALA 75 3.674 -19.389 9.829 1.00 0.00 ATOM 408 O ALA 75 4.700 -16.916 8.356 1.00 0.00 ATOM 409 C ALA 75 4.994 -18.100 8.188 1.00 0.00 ATOM 410 N VAL 76 5.209 -18.622 6.982 1.00 0.00 ATOM 411 CA VAL 76 5.100 -17.717 5.831 1.00 0.00 ATOM 412 CB VAL 76 6.277 -17.899 4.857 1.00 0.00 ATOM 413 CG1 VAL 76 7.596 -17.583 5.547 1.00 0.00 ATOM 414 CG2 VAL 76 6.333 -19.331 4.348 1.00 0.00 ATOM 415 O VAL 76 3.186 -19.015 5.175 1.00 0.00 ATOM 416 C VAL 76 3.830 -17.964 5.058 1.00 0.00 ATOM 417 N ILE 77 3.460 -16.950 4.286 1.00 0.00 ATOM 418 CA ILE 77 2.337 -17.113 3.373 1.00 0.00 ATOM 419 CB ILE 77 1.110 -16.302 3.835 1.00 0.00 ATOM 420 CG1 ILE 77 0.643 -16.781 5.210 1.00 0.00 ATOM 421 CG2 ILE 77 -0.037 -16.466 2.851 1.00 0.00 ATOM 422 CD1 ILE 77 -0.410 -15.895 5.840 1.00 0.00 ATOM 423 O ILE 77 3.443 -15.644 1.826 1.00 0.00 ATOM 424 C ILE 77 2.712 -16.637 1.972 1.00 0.00 ATOM 425 N GLU 78 2.222 -17.367 0.957 1.00 0.00 ATOM 426 CA GLU 78 2.629 -17.046 -0.413 1.00 0.00 ATOM 427 CB GLU 78 3.334 -18.242 -1.057 1.00 0.00 ATOM 428 CG GLU 78 4.624 -18.650 -0.363 1.00 0.00 ATOM 429 CD GLU 78 5.403 -19.687 -1.148 1.00 0.00 ATOM 430 OE1 GLU 78 4.837 -20.760 -1.439 1.00 0.00 ATOM 431 OE2 GLU 78 6.581 -19.424 -1.470 1.00 0.00 ATOM 432 O GLU 78 1.600 -16.589 -2.505 1.00 0.00 ATOM 433 C GLU 78 1.448 -16.687 -1.279 1.00 0.00 ATOM 434 N THR 79 0.286 -16.487 -0.652 1.00 0.00 ATOM 435 CA THR 79 -0.940 -16.269 -1.413 1.00 0.00 ATOM 436 CB THR 79 -2.175 -16.793 -0.658 1.00 0.00 ATOM 437 CG2 THR 79 -2.027 -18.278 -0.362 1.00 0.00 ATOM 438 OG1 THR 79 -2.318 -16.086 0.580 1.00 0.00 ATOM 439 O THR 79 -2.168 -14.540 -2.522 1.00 0.00 ATOM 440 C THR 79 -1.242 -14.799 -1.731 1.00 0.00 ATOM 441 N VAL 91 -0.498 -13.855 -1.136 1.00 0.00 ATOM 442 CA VAL 91 -0.760 -12.438 -1.404 1.00 0.00 ATOM 443 CB VAL 91 -0.568 -11.580 -0.139 1.00 0.00 ATOM 444 CG1 VAL 91 -0.754 -10.105 -0.463 1.00 0.00 ATOM 445 CG2 VAL 91 -1.580 -11.968 0.927 1.00 0.00 ATOM 446 O VAL 91 1.307 -12.357 -2.605 1.00 0.00 ATOM 447 C VAL 91 0.170 -11.881 -2.468 1.00 0.00 ATOM 448 N PRO 92 -0.325 -10.881 -3.203 1.00 0.00 ATOM 449 CA PRO 92 0.470 -10.286 -4.279 1.00 0.00 ATOM 450 CB PRO 92 -0.433 -10.396 -5.509 1.00 0.00 ATOM 451 CG PRO 92 -1.806 -10.134 -4.989 1.00 0.00 ATOM 452 CD PRO 92 -1.878 -10.803 -3.645 1.00 0.00 ATOM 453 O PRO 92 0.224 -8.320 -2.931 1.00 0.00 ATOM 454 C PRO 92 0.770 -8.858 -3.902 1.00 0.00 ATOM 455 N ILE 93 1.636 -8.236 -4.694 1.00 0.00 ATOM 456 CA ILE 93 1.819 -6.786 -4.627 1.00 0.00 ATOM 457 CB ILE 93 2.710 -6.277 -5.774 1.00 0.00 ATOM 458 CG1 ILE 93 2.078 -6.610 -7.128 1.00 0.00 ATOM 459 CG2 ILE 93 4.084 -6.925 -5.710 1.00 0.00 ATOM 460 CD1 ILE 93 2.785 -5.974 -8.305 1.00 0.00 ATOM 461 O ILE 93 -0.433 -6.610 -5.474 1.00 0.00 ATOM 462 C ILE 93 0.440 -6.124 -4.729 1.00 0.00 ATOM 463 N VAL 94 0.270 -5.000 -4.035 1.00 0.00 ATOM 464 CA VAL 94 -1.021 -4.286 -4.058 1.00 0.00 ATOM 465 CB VAL 94 -1.077 -3.182 -2.986 1.00 0.00 ATOM 466 CG1 VAL 94 -2.314 -2.317 -3.172 1.00 0.00 ATOM 467 CG2 VAL 94 -1.125 -3.794 -1.594 1.00 0.00 ATOM 468 O VAL 94 -0.344 -3.322 -6.150 1.00 0.00 ATOM 469 C VAL 94 -1.287 -3.613 -5.406 1.00 0.00 ATOM 470 N PHE 95 -2.560 -3.366 -5.718 1.00 0.00 ATOM 471 CA PHE 95 -2.956 -2.618 -6.918 1.00 0.00 ATOM 472 CB PHE 95 -4.434 -2.854 -7.234 1.00 0.00 ATOM 473 CG PHE 95 -4.746 -4.262 -7.655 1.00 0.00 ATOM 474 CD1 PHE 95 -5.220 -5.184 -6.737 1.00 0.00 ATOM 475 CD2 PHE 95 -4.565 -4.665 -8.965 1.00 0.00 ATOM 476 CE1 PHE 95 -5.508 -6.479 -7.125 1.00 0.00 ATOM 477 CE2 PHE 95 -4.852 -5.960 -9.353 1.00 0.00 ATOM 478 CZ PHE 95 -5.322 -6.866 -8.438 1.00 0.00 ATOM 479 O PHE 95 -3.651 -0.285 -7.158 1.00 0.00 ATOM 480 C PHE 95 -2.769 -1.084 -6.790 1.00 0.00 ATOM 481 N ASP 96 -1.619 -0.675 -6.286 1.00 0.00 ATOM 482 CA ASP 96 -1.291 0.730 -6.032 1.00 0.00 ATOM 483 CB ASP 96 -1.428 1.050 -4.542 1.00 0.00 ATOM 484 CG ASP 96 -1.173 2.513 -4.235 1.00 0.00 ATOM 485 OD1 ASP 96 -0.788 3.256 -5.163 1.00 0.00 ATOM 486 OD2 ASP 96 -1.354 2.916 -3.067 1.00 0.00 ATOM 487 O ASP 96 1.076 0.371 -5.828 1.00 0.00 ATOM 488 C ASP 96 0.142 0.815 -6.517 1.00 0.00 ATOM 489 N LYS 97 0.314 1.306 -7.734 1.00 0.00 ATOM 490 CA LYS 97 1.618 1.275 -8.397 1.00 0.00 ATOM 491 CB LYS 97 1.564 2.043 -9.719 1.00 0.00 ATOM 492 CG LYS 97 2.871 2.036 -10.495 1.00 0.00 ATOM 493 CD LYS 97 2.727 2.751 -11.828 1.00 0.00 ATOM 494 CE LYS 97 4.042 2.771 -12.590 1.00 0.00 ATOM 495 NZ LYS 97 3.914 3.465 -13.901 1.00 0.00 ATOM 496 O LYS 97 3.842 1.323 -7.548 1.00 0.00 ATOM 497 C LYS 97 2.748 1.895 -7.579 1.00 0.00 ATOM 498 N ASN 98 2.505 3.050 -6.956 1.00 0.00 ATOM 499 CA ASN 98 3.564 3.712 -6.190 1.00 0.00 ATOM 500 CB ASN 98 3.098 5.089 -5.711 1.00 0.00 ATOM 501 CG ASN 98 3.020 6.102 -6.836 1.00 0.00 ATOM 502 ND2 ASN 98 2.241 7.157 -6.626 1.00 0.00 ATOM 503 OD1 ASN 98 3.652 5.935 -7.879 1.00 0.00 ATOM 504 O ASN 98 5.130 2.771 -4.620 1.00 0.00 ATOM 505 C ASN 98 3.946 2.878 -4.964 1.00 0.00 ATOM 506 N TYR 99 2.947 2.280 -4.319 1.00 0.00 ATOM 507 CA TYR 99 3.213 1.454 -3.145 1.00 0.00 ATOM 508 CB TYR 99 1.903 1.041 -2.471 1.00 0.00 ATOM 509 CG TYR 99 2.090 0.180 -1.243 1.00 0.00 ATOM 510 CD1 TYR 99 2.475 0.742 -0.033 1.00 0.00 ATOM 511 CD2 TYR 99 1.879 -1.192 -1.298 1.00 0.00 ATOM 512 CE1 TYR 99 2.649 -0.037 1.094 1.00 0.00 ATOM 513 CE2 TYR 99 2.048 -1.988 -0.179 1.00 0.00 ATOM 514 CZ TYR 99 2.437 -1.396 1.022 1.00 0.00 ATOM 515 OH TYR 99 2.608 -2.175 2.143 1.00 0.00 ATOM 516 O TYR 99 4.958 -0.231 -2.887 1.00 0.00 ATOM 517 C TYR 99 3.984 0.168 -3.557 1.00 0.00 ATOM 518 N VAL 100 3.555 -0.473 -4.647 1.00 0.00 ATOM 519 CA VAL 100 4.253 -1.665 -5.160 1.00 0.00 ATOM 520 CB VAL 100 3.567 -2.223 -6.421 1.00 0.00 ATOM 521 CG1 VAL 100 4.412 -3.324 -7.043 1.00 0.00 ATOM 522 CG2 VAL 100 2.203 -2.801 -6.073 1.00 0.00 ATOM 523 O VAL 100 6.612 -2.080 -5.222 1.00 0.00 ATOM 524 C VAL 100 5.685 -1.326 -5.519 1.00 0.00 ATOM 525 N ALA 101 5.895 -0.169 -6.154 1.00 0.00 ATOM 526 CA ALA 101 7.254 0.267 -6.498 1.00 0.00 ATOM 527 CB ALA 101 7.210 1.574 -7.274 1.00 0.00 ATOM 528 O ALA 101 9.288 0.087 -5.196 1.00 0.00 ATOM 529 C ALA 101 8.111 0.490 -5.247 1.00 0.00 ATOM 530 N ALA 102 12.689 -0.865 -1.966 1.00 0.00 ATOM 531 CA ALA 102 13.275 -1.092 -0.652 1.00 0.00 ATOM 532 CB ALA 102 12.234 -0.873 0.436 1.00 0.00 ATOM 533 O ALA 102 14.923 -2.705 0.043 1.00 0.00 ATOM 534 C ALA 102 13.814 -2.508 -0.486 1.00 0.00 ATOM 535 N LEU 103 13.056 -3.492 -0.963 1.00 0.00 ATOM 536 CA LEU 103 13.543 -4.885 -0.958 1.00 0.00 ATOM 537 CB LEU 103 12.498 -5.819 -1.571 1.00 0.00 ATOM 538 CG LEU 103 12.862 -7.305 -1.616 1.00 0.00 ATOM 539 CD1 LEU 103 13.075 -7.850 -0.212 1.00 0.00 ATOM 540 CD2 LEU 103 11.754 -8.110 -2.276 1.00 0.00 ATOM 541 O LEU 103 15.797 -5.693 -1.298 1.00 0.00 ATOM 542 C LEU 103 14.830 -5.048 -1.756 1.00 0.00 ATOM 543 N ARG 104 14.902 -4.444 -2.939 1.00 0.00 ATOM 544 CA ARG 104 16.134 -4.559 -3.720 1.00 0.00 ATOM 545 CB ARG 104 15.944 -3.959 -5.115 1.00 0.00 ATOM 546 CG ARG 104 15.039 -4.775 -6.023 1.00 0.00 ATOM 547 CD ARG 104 14.827 -4.081 -7.359 1.00 0.00 ATOM 548 NE ARG 104 13.951 -4.848 -8.241 1.00 0.00 ATOM 549 CZ ARG 104 13.500 -4.409 -9.412 1.00 0.00 ATOM 550 NH1 ARG 104 12.708 -5.177 -10.147 1.00 0.00 ATOM 551 NH2 ARG 104 13.842 -3.203 -9.844 1.00 0.00 ATOM 552 O ARG 104 18.477 -4.219 -3.369 1.00 0.00 ATOM 553 C ARG 104 17.325 -3.846 -3.094 1.00 0.00 ATOM 554 N ALA 105 17.074 -2.823 -2.272 1.00 0.00 ATOM 555 CA ALA 105 18.156 -2.109 -1.585 1.00 0.00 ATOM 556 CB ALA 105 17.662 -0.767 -1.067 1.00 0.00 ATOM 557 O ALA 105 19.670 -2.436 0.259 1.00 0.00 ATOM 558 C ALA 105 18.713 -2.891 -0.375 1.00 0.00 ATOM 559 N GLY 106 18.108 -4.035 -0.050 1.00 0.00 ATOM 560 CA GLY 106 18.587 -4.879 1.054 1.00 0.00 ATOM 561 O GLY 106 18.753 -4.501 3.446 1.00 0.00 ATOM 562 C GLY 106 18.071 -4.414 2.421 1.00 0.00 ATOM 563 N LYS 107 16.867 -3.868 2.420 1.00 0.00 ATOM 564 CA LYS 107 16.185 -3.513 3.663 1.00 0.00 ATOM 565 CB LYS 107 15.281 -2.297 3.451 1.00 0.00 ATOM 566 CG LYS 107 16.032 -1.014 3.135 1.00 0.00 ATOM 567 CD LYS 107 15.073 0.136 2.875 1.00 0.00 ATOM 568 CE LYS 107 15.824 1.431 2.604 1.00 0.00 ATOM 569 NZ LYS 107 14.896 2.569 2.353 1.00 0.00 ATOM 570 O LYS 107 14.960 -5.572 3.279 1.00 0.00 ATOM 571 C LYS 107 15.340 -4.715 4.100 1.00 0.00 ATOM 572 N HIS 108 15.086 -4.817 5.411 1.00 0.00 ATOM 573 CA HIS 108 14.038 -5.708 5.918 1.00 0.00 ATOM 574 CB HIS 108 14.278 -6.031 7.394 1.00 0.00 ATOM 575 CG HIS 108 15.525 -6.814 7.648 1.00 0.00 ATOM 576 CD2 HIS 108 16.847 -6.519 8.185 1.00 0.00 ATOM 577 ND1 HIS 108 15.632 -8.158 7.362 1.00 0.00 ATOM 578 CE1 HIS 108 16.865 -8.581 7.697 1.00 0.00 ATOM 579 NE2 HIS 108 17.598 -7.603 8.191 1.00 0.00 ATOM 580 O HIS 108 12.331 -4.094 6.537 1.00 0.00 ATOM 581 C HIS 108 12.706 -4.980 5.747 1.00 0.00 ATOM 582 N LEU 109 12.001 -5.355 4.696 1.00 0.00 ATOM 583 CA LEU 109 10.775 -4.632 4.317 1.00 0.00 ATOM 584 CB LEU 109 10.561 -4.696 2.804 1.00 0.00 ATOM 585 CG LEU 109 9.312 -3.994 2.266 1.00 0.00 ATOM 586 CD1 LEU 109 9.413 -2.490 2.468 1.00 0.00 ATOM 587 CD2 LEU 109 9.143 -4.265 0.778 1.00 0.00 ATOM 588 O LEU 109 9.331 -6.468 4.896 1.00 0.00 ATOM 589 C LEU 109 9.579 -5.233 4.988 1.00 0.00 ATOM 590 N LYS 110 8.822 -4.373 5.672 1.00 0.00 ATOM 591 CA LYS 110 7.590 -4.815 6.296 1.00 0.00 ATOM 592 CB LYS 110 7.481 -4.262 7.718 1.00 0.00 ATOM 593 CG LYS 110 6.232 -4.703 8.463 1.00 0.00 ATOM 594 CD LYS 110 6.166 -4.083 9.848 1.00 0.00 ATOM 595 CE LYS 110 4.902 -4.501 10.581 1.00 0.00 ATOM 596 NZ LYS 110 4.813 -3.883 11.933 1.00 0.00 ATOM 597 O LYS 110 6.474 -3.248 4.913 1.00 0.00 ATOM 598 C LYS 110 6.414 -4.322 5.486 1.00 0.00 ATOM 599 N LEU 111 5.382 -5.143 5.433 1.00 0.00 ATOM 600 CA LEU 111 4.132 -4.757 4.768 1.00 0.00 ATOM 601 CB LEU 111 3.873 -5.650 3.554 1.00 0.00 ATOM 602 CG LEU 111 4.936 -5.625 2.454 1.00 0.00 ATOM 603 CD1 LEU 111 4.619 -6.649 1.375 1.00 0.00 ATOM 604 CD2 LEU 111 5.001 -4.252 1.800 1.00 0.00 ATOM 605 O LEU 111 2.897 -5.868 6.493 1.00 0.00 ATOM 606 C LEU 111 2.985 -4.896 5.727 1.00 0.00 ATOM 607 N ALA 112 2.102 -3.891 5.718 1.00 0.00 ATOM 608 CA ALA 112 0.971 -3.914 6.625 1.00 0.00 ATOM 609 CB ALA 112 0.752 -2.538 7.232 1.00 0.00 ATOM 610 O ALA 112 -0.560 -3.610 4.798 1.00 0.00 ATOM 611 C ALA 112 -0.198 -4.334 5.751 1.00 0.00 ATOM 612 N MET 113 -0.770 -5.489 6.087 1.00 0.00 ATOM 613 CA MET 113 -1.882 -6.094 5.366 1.00 0.00 ATOM 614 CB MET 113 -1.683 -7.607 5.245 1.00 0.00 ATOM 615 CG MET 113 -2.734 -8.305 4.401 1.00 0.00 ATOM 616 SD MET 113 -2.462 -10.085 4.284 1.00 0.00 ATOM 617 CE MET 113 -2.801 -10.591 5.967 1.00 0.00 ATOM 618 O MET 113 -3.290 -6.117 7.320 1.00 0.00 ATOM 619 C MET 113 -3.164 -5.808 6.136 1.00 0.00 ATOM 620 N THR 114 -4.131 -5.196 5.453 1.00 0.00 ATOM 621 CA THR 114 -5.395 -4.863 6.111 1.00 0.00 ATOM 622 CB THR 114 -5.755 -3.378 5.922 1.00 0.00 ATOM 623 CG2 THR 114 -7.074 -3.057 6.609 1.00 0.00 ATOM 624 OG1 THR 114 -4.724 -2.558 6.489 1.00 0.00 ATOM 625 O THR 114 -6.523 -5.930 4.259 1.00 0.00 ATOM 626 C THR 114 -6.501 -5.734 5.488 1.00 0.00 ATOM 627 N ILE 115 -7.395 -6.243 6.333 1.00 0.00 ATOM 628 CA ILE 115 -8.474 -7.145 5.950 1.00 0.00 ATOM 629 CB ILE 115 -8.333 -8.517 6.637 1.00 0.00 ATOM 630 CG1 ILE 115 -7.017 -9.184 6.229 1.00 0.00 ATOM 631 CG2 ILE 115 -9.480 -9.433 6.239 1.00 0.00 ATOM 632 CD1 ILE 115 -6.689 -10.427 7.027 1.00 0.00 ATOM 633 O ILE 115 -9.997 -6.141 7.550 1.00 0.00 ATOM 634 C ILE 115 -9.795 -6.522 6.365 1.00 0.00 ATOM 635 N ALA 116 -10.751 -6.471 5.445 1.00 0.00 ATOM 636 CA ALA 116 -12.107 -6.033 5.742 1.00 0.00 ATOM 637 CB ALA 116 -12.172 -4.515 5.811 1.00 0.00 ATOM 638 O ALA 116 -12.667 -6.480 3.459 1.00 0.00 ATOM 639 C ALA 116 -13.046 -6.521 4.647 1.00 0.00 ATOM 640 N ALA 117 -14.262 -6.900 4.999 1.00 0.00 ATOM 641 CA ALA 117 -15.296 -7.256 4.032 1.00 0.00 ATOM 642 CB ALA 117 -15.731 -6.029 3.244 1.00 0.00 ATOM 643 O ALA 117 -15.264 -8.334 1.867 1.00 0.00 ATOM 644 C ALA 117 -14.801 -8.316 3.014 1.00 0.00 ATOM 645 N PRO 118 -13.949 -9.215 3.480 1.00 0.00 ATOM 646 CA PRO 118 -13.528 -10.359 2.682 1.00 0.00 ATOM 647 CB PRO 118 -14.752 -10.678 1.821 1.00 0.00 ATOM 648 CG PRO 118 -15.401 -9.356 1.589 1.00 0.00 ATOM 649 CD PRO 118 -15.216 -8.571 2.857 1.00 0.00 ATOM 650 O PRO 118 -11.822 -10.989 1.136 1.00 0.00 ATOM 651 C PRO 118 -12.324 -10.081 1.803 1.00 0.00 ATOM 652 N GLU 120 -11.842 -8.839 1.802 1.00 0.00 ATOM 653 CA GLU 120 -10.633 -8.497 1.039 1.00 0.00 ATOM 654 CB GLU 120 -10.830 -7.181 0.284 1.00 0.00 ATOM 655 CG GLU 120 -11.901 -7.238 -0.793 1.00 0.00 ATOM 656 CD GLU 120 -12.066 -5.919 -1.521 1.00 0.00 ATOM 657 OE1 GLU 120 -11.413 -4.933 -1.120 1.00 0.00 ATOM 658 OE2 GLU 120 -12.849 -5.871 -2.493 1.00 0.00 ATOM 659 O GLU 120 -9.566 -7.848 3.064 1.00 0.00 ATOM 660 C GLU 120 -9.431 -8.337 1.951 1.00 0.00 ATOM 661 N PRO 121 -8.237 -8.732 1.481 1.00 0.00 ATOM 662 CA PRO 121 -6.991 -8.550 2.222 1.00 0.00 ATOM 663 CB PRO 121 -6.602 -9.967 2.648 1.00 0.00 ATOM 664 CG PRO 121 -7.186 -10.848 1.594 1.00 0.00 ATOM 665 CD PRO 121 -8.473 -10.195 1.173 1.00 0.00 ATOM 666 O PRO 121 -5.871 -8.414 0.138 1.00 0.00 ATOM 667 C PRO 121 -6.008 -7.920 1.255 1.00 0.00 TER END