PFRMAT TS TARGET T0581 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 T0581 model 1 Wed Jun 9 04:56:24 2010 MODEL 1 PARENT N/A ATOM 1 N MET 1 -1.568 -9.203 11.517 1.00999.00 ATOM 2 CA MET 1 -2.852 -9.857 11.776 1.00999.00 ATOM 3 CB MET 1 -4.007 -8.884 11.531 1.00999.00 ATOM 4 CG MET 1 -4.047 -7.712 12.498 1.00999.00 ATOM 5 SD MET 1 -5.479 -6.648 12.244 1.00999.00 ATOM 6 CE MET 1 -5.073 -5.906 10.665 1.00999.00 ATOM 7 O MET 1 -2.179 -11.196 9.899 1.00999.00 ATOM 8 C MET 1 -2.954 -11.074 10.865 1.00999.00 ATOM 9 N SER 2 -3.879 -11.978 11.159 1.00999.00 ATOM 10 CA SER 2 -4.087 -13.152 10.299 1.00999.00 ATOM 11 CB SER 2 -5.092 -14.112 10.939 1.00999.00 ATOM 12 OG SER 2 -6.393 -13.550 10.958 1.00999.00 ATOM 13 O SER 2 -5.037 -11.653 8.676 1.00999.00 ATOM 14 C SER 2 -4.560 -12.768 8.902 1.00999.00 ATOM 15 N ARG 3 -4.417 -13.757 7.889 1.00999.00 ATOM 16 CA ARG 3 -4.860 -13.469 6.550 1.00999.00 ATOM 17 CB ARG 3 -4.448 -14.593 5.597 1.00999.00 ATOM 18 CG ARG 3 -2.955 -14.647 5.309 1.00999.00 ATOM 19 CD ARG 3 -2.652 -15.571 4.140 1.00999.00 ATOM 20 NE ARG 3 -3.027 -16.954 4.424 1.00999.00 ATOM 21 CZ ARG 3 -2.230 -17.838 5.014 1.00999.00 ATOM 22 NH1 ARG 3 -2.656 -19.074 5.231 1.00999.00 ATOM 23 NH2 ARG 3 -1.007 -17.483 5.386 1.00999.00 ATOM 24 O ARG 3 -6.795 -12.293 5.762 1.00999.00 ATOM 25 C ARG 3 -6.355 -13.180 6.494 1.00999.00 ATOM 26 N PHE 4 -7.134 -13.930 7.267 1.00999.00 ATOM 27 CA PHE 4 -8.606 -13.740 7.301 1.00999.00 ATOM 28 CB PHE 4 -9.394 -14.819 8.046 1.00999.00 ATOM 29 CG PHE 4 -10.881 -14.607 8.029 1.00999.00 ATOM 30 CD1 PHE 4 -11.616 -14.847 6.881 1.00999.00 ATOM 31 CD2 PHE 4 -11.544 -14.166 9.159 1.00999.00 ATOM 32 CE1 PHE 4 -12.983 -14.651 6.864 1.00999.00 ATOM 33 CE2 PHE 4 -12.912 -13.970 9.144 1.00999.00 ATOM 34 CZ PHE 4 -13.632 -14.210 8.002 1.00999.00 ATOM 35 O PHE 4 -9.866 -11.703 7.387 1.00999.00 ATOM 36 C PHE 4 -8.964 -12.380 7.882 1.00999.00 ATOM 37 N MET 5 -8.256 -11.978 8.933 1.00999.00 ATOM 38 CA MET 5 -8.511 -10.691 9.569 1.00999.00 ATOM 39 CB MET 5 -7.692 -10.570 10.856 1.00999.00 ATOM 40 CG MET 5 -8.007 -9.331 11.677 1.00999.00 ATOM 41 SD MET 5 -9.704 -9.314 12.288 1.00999.00 ATOM 42 CE MET 5 -9.602 -10.522 13.607 1.00999.00 ATOM 43 O MET 5 -9.000 -8.598 8.499 1.00999.00 ATOM 44 C MET 5 -8.201 -9.527 8.619 1.00999.00 ATOM 45 N ALA 6 -7.080 -9.613 7.907 1.00999.00 ATOM 46 CA ALA 6 -6.738 -8.538 6.957 1.00999.00 ATOM 47 CB ALA 6 -5.334 -8.780 6.400 1.00999.00 ATOM 48 O ALA 6 -8.161 -7.372 5.421 1.00999.00 ATOM 49 C ALA 6 -7.744 -8.466 5.808 1.00999.00 ATOM 50 N LEU 7 -8.247 -9.594 5.426 1.00999.00 ATOM 51 CA LEU 7 -9.242 -9.661 4.354 1.00999.00 ATOM 52 CB LEU 7 -9.516 -11.105 3.923 1.00999.00 ATOM 53 CG LEU 7 -10.592 -11.301 2.856 1.00999.00 ATOM 54 CD1 LEU 7 -10.203 -10.598 1.564 1.00999.00 ATOM 55 CD2 LEU 7 -10.832 -12.781 2.600 1.00999.00 ATOM 56 O LEU 7 -11.134 -8.213 4.081 1.00999.00 ATOM 57 C LEU 7 -10.554 -9.027 4.800 1.00999.00 ATOM 58 N ALA 8 -11.021 -9.399 5.987 1.00999.00 ATOM 59 CA ALA 8 -12.250 -8.857 6.504 1.00999.00 ATOM 60 CB ALA 8 -12.537 -9.459 7.871 1.00999.00 ATOM 61 O ALA 8 -12.997 -6.597 6.103 1.00999.00 ATOM 62 C ALA 8 -12.136 -7.319 6.606 1.00999.00 ATOM 63 N LEU 9 -11.013 -6.849 7.142 1.00999.00 ATOM 64 CA LEU 9 -10.824 -5.412 7.307 1.00999.00 ATOM 65 CB LEU 9 -9.621 -5.142 8.213 1.00999.00 ATOM 66 CG LEU 9 -9.776 -5.542 9.682 1.00999.00 ATOM 67 CD1 LEU 9 -8.458 -5.381 10.424 1.00999.00 ATOM 68 CD2 LEU 9 -10.865 -4.718 10.353 1.00999.00 ATOM 69 O LEU 9 -11.246 -3.680 5.690 1.00999.00 ATOM 70 C LEU 9 -10.636 -4.718 5.961 1.00999.00 ATOM 71 N CYS 10 -9.876 -5.353 5.088 1.00999.00 ATOM 72 CA CYS 10 -9.661 -4.824 3.769 1.00999.00 ATOM 73 CB CYS 10 -8.603 -5.655 3.014 1.00999.00 ATOM 74 SG CYS 10 -6.963 -5.449 3.826 1.00999.00 ATOM 75 O CYS 10 -11.179 -3.838 2.169 1.00999.00 ATOM 76 C CYS 10 -10.969 -4.798 2.926 1.00999.00 ATOM 77 N PHE 11 -11.789 -5.817 3.051 1.00999.00 ATOM 78 CA PHE 11 -13.083 -5.854 2.378 1.00999.00 ATOM 79 CB PHE 11 -13.786 -7.179 2.678 1.00999.00 ATOM 80 CG PHE 11 -15.100 -7.385 1.969 1.00999.00 ATOM 81 CD1 PHE 11 -15.181 -8.245 0.897 1.00999.00 ATOM 82 CD2 PHE 11 -16.269 -6.791 2.393 1.00999.00 ATOM 83 CE1 PHE 11 -16.401 -8.502 0.275 1.00999.00 ATOM 84 CE2 PHE 11 -17.472 -7.024 1.765 1.00999.00 ATOM 85 CZ PHE 11 -17.542 -7.877 0.714 1.00999.00 ATOM 86 O PHE 11 -14.517 -3.964 2.020 1.00999.00 ATOM 87 C PHE 11 -13.951 -4.688 2.840 1.00999.00 ATOM 88 N VAL 12 -14.053 -4.507 4.153 1.00999.00 ATOM 89 CA VAL 12 -14.865 -3.406 4.721 1.00999.00 ATOM 90 CB VAL 12 -14.876 -3.512 6.261 1.00999.00 ATOM 91 CG1 VAL 12 -15.473 -2.236 6.888 1.00999.00 ATOM 92 CG2 VAL 12 -15.626 -4.732 6.702 1.00999.00 ATOM 93 O VAL 12 -15.146 -1.171 3.927 1.00999.00 ATOM 94 C VAL 12 -14.360 -2.062 4.251 1.00999.00 ATOM 95 N LEU 13 -13.040 -1.909 4.211 1.00999.00 ATOM 96 CA LEU 13 -12.438 -0.656 3.772 1.00999.00 ATOM 97 CB LEU 13 -10.922 -0.670 3.974 1.00999.00 ATOM 98 CG LEU 13 -10.198 0.661 3.760 1.00999.00 ATOM 99 CD1 LEU 13 -8.823 0.634 4.411 1.00999.00 ATOM 100 CD2 LEU 13 -10.075 0.974 2.278 1.00999.00 ATOM 101 O LEU 13 -13.214 0.752 1.957 1.00999.00 ATOM 102 C LEU 13 -12.826 -0.364 2.315 1.00999.00 ATOM 103 N PRO 14 -12.731 -1.366 1.458 1.00999.00 ATOM 104 CA PRO 14 -13.099 -1.139 0.066 1.00999.00 ATOM 105 CB PRO 14 -12.829 -2.442 -0.618 1.00999.00 ATOM 106 CG PRO 14 -11.621 -2.951 0.141 1.00999.00 ATOM 107 CD PRO 14 -12.051 -2.697 1.581 1.00999.00 ATOM 108 O PRO 14 -14.843 0.236 -0.824 1.00999.00 ATOM 109 C PRO 14 -14.550 -0.708 -0.093 1.00999.00 ATOM 110 N THR 15 -15.445 -1.356 0.645 1.00999.00 ATOM 111 CA THR 15 -16.845 -0.960 0.653 1.00999.00 ATOM 112 CB THR 15 -17.690 -1.892 1.543 1.00999.00 ATOM 113 CG2 THR 15 -19.139 -1.432 1.570 1.00999.00 ATOM 114 OG1 THR 15 -17.642 -3.225 1.023 1.00999.00 ATOM 115 O THR 15 -17.880 1.245 0.576 1.00999.00 ATOM 116 C THR 15 -17.074 0.485 1.130 1.00999.00 ATOM 117 N ALA 16 -16.403 0.866 2.201 1.00999.00 ATOM 118 CA ALA 16 -16.483 2.242 2.691 1.00999.00 ATOM 119 CB ALA 16 -15.630 2.431 3.936 1.00999.00 ATOM 120 O ALA 16 -16.684 4.215 1.376 1.00999.00 ATOM 121 C ALA 16 -16.037 3.204 1.613 1.00999.00 ATOM 122 N ALA 17 -14.938 2.889 0.938 1.00999.00 ATOM 123 CA ALA 17 -14.499 3.706 -0.198 1.00999.00 ATOM 124 CB ALA 17 -13.231 3.126 -0.805 1.00999.00 ATOM 125 O ALA 17 -15.989 4.886 -1.652 1.00999.00 ATOM 126 C ALA 17 -15.598 3.788 -1.244 1.00999.00 ATOM 127 N HIS 18 -16.100 2.615 -1.679 1.00999.00 ATOM 128 CA HIS 18 -17.127 2.563 -2.712 1.00999.00 ATOM 129 CB HIS 18 -16.526 2.086 -4.034 1.00999.00 ATOM 130 CG HIS 18 -15.974 0.695 -3.981 1.00999.00 ATOM 131 CD2 HIS 18 -16.494 -0.640 -4.242 1.00999.00 ATOM 132 ND1 HIS 18 -14.674 0.424 -3.614 1.00999.00 ATOM 133 CE1 HIS 18 -14.474 -0.905 -3.660 1.00999.00 ATOM 134 NE2 HIS 18 -15.561 -1.549 -4.035 1.00999.00 ATOM 135 O HIS 18 -18.110 0.764 -1.504 1.00999.00 ATOM 136 C HIS 18 -18.273 1.669 -2.323 1.00999.00 ATOM 137 N ALA 19 -19.549 1.729 -2.897 1.00999.00 ATOM 138 CA ALA 19 -20.605 0.766 -2.640 1.00999.00 ATOM 139 CB ALA 19 -21.919 1.249 -3.236 1.00999.00 ATOM 140 O ALA 19 -19.585 -0.633 -4.263 1.00999.00 ATOM 141 C ALA 19 -20.212 -0.563 -3.217 1.00999.00 ATOM 142 N ALA 20 -20.532 -1.635 -2.536 1.00999.00 ATOM 143 CA ALA 20 -20.210 -2.963 -3.045 1.00999.00 ATOM 144 CB ALA 20 -20.650 -4.037 -2.063 1.00999.00 ATOM 145 O ALA 20 -20.319 -3.964 -5.222 1.00999.00 ATOM 146 C ALA 20 -20.845 -3.200 -4.412 1.00999.00 ATOM 147 N SER 21 -21.973 -2.544 -4.665 1.00999.00 ATOM 148 CA SER 21 -22.676 -2.692 -5.955 1.00999.00 ATOM 149 CB SER 21 -24.191 -2.646 -5.743 1.00999.00 ATOM 150 OG SER 21 -24.636 -3.764 -4.997 1.00999.00 ATOM 151 O SER 21 -22.929 -1.563 -8.059 1.00999.00 ATOM 152 C SER 21 -22.299 -1.632 -6.979 1.00999.00 ATOM 153 N LEU 22 -21.249 -0.611 -6.920 1.00999.00 ATOM 154 CA LEU 22 -20.349 0.290 -7.667 1.00999.00 ATOM 155 CB LEU 22 -19.925 1.451 -6.720 1.00999.00 ATOM 156 CG LEU 22 -21.048 2.203 -6.025 1.00999.00 ATOM 157 CD1 LEU 22 -20.533 3.275 -5.097 1.00999.00 ATOM 158 CD2 LEU 22 -21.996 2.809 -7.047 1.00999.00 ATOM 159 O LEU 22 -19.447 -1.508 -8.941 1.00999.00 ATOM 160 C LEU 22 -19.757 -0.327 -8.905 1.00999.00 ATOM 161 N LYS 23 -19.474 0.529 -9.879 1.00999.00 ATOM 162 CA LYS 23 -18.735 0.106 -11.052 1.00999.00 ATOM 163 CB LYS 23 -19.263 0.805 -12.306 1.00999.00 ATOM 164 CG LYS 23 -20.689 0.428 -12.672 1.00999.00 ATOM 165 CD LYS 23 -21.139 1.130 -13.943 1.00999.00 ATOM 166 CE LYS 23 -22.559 0.742 -14.317 1.00999.00 ATOM 167 NZ LYS 23 -23.024 1.448 -15.543 1.00999.00 ATOM 168 O LYS 23 -16.822 1.006 -9.886 1.00999.00 ATOM 169 C LYS 23 -17.246 0.400 -10.866 1.00999.00 ATOM 170 N ASP 24 -16.442 0.026 -11.863 1.00999.00 ATOM 171 CA ASP 24 -14.995 0.183 -11.723 1.00999.00 ATOM 172 CB ASP 24 -14.269 -0.463 -12.907 1.00999.00 ATOM 173 CG ASP 24 -14.320 -1.978 -12.864 1.00999.00 ATOM 174 OD1 ASP 24 -14.667 -2.531 -11.798 1.00999.00 ATOM 175 OD2 ASP 24 -14.012 -2.611 -13.895 1.00999.00 ATOM 176 O ASP 24 -13.645 1.959 -10.828 1.00999.00 ATOM 177 C ASP 24 -14.572 1.663 -11.610 1.00999.00 ATOM 178 N PHE 25 -15.167 2.583 -12.471 1.00999.00 ATOM 179 CA PHE 25 -14.865 4.016 -12.377 1.00999.00 ATOM 180 CB PHE 25 -15.703 4.807 -13.384 1.00999.00 ATOM 181 CG PHE 25 -15.235 4.668 -14.805 1.00999.00 ATOM 182 CD1 PHE 25 -16.016 4.016 -15.744 1.00999.00 ATOM 183 CD2 PHE 25 -14.016 5.189 -15.201 1.00999.00 ATOM 184 CE1 PHE 25 -15.586 3.886 -17.051 1.00999.00 ATOM 185 CE2 PHE 25 -13.587 5.059 -16.508 1.00999.00 ATOM 186 CZ PHE 25 -14.366 4.412 -17.432 1.00999.00 ATOM 187 O PHE 25 -14.358 5.298 -10.414 1.00999.00 ATOM 188 C PHE 25 -15.130 4.510 -10.960 1.00999.00 ATOM 189 N GLU 26 -16.223 4.045 -10.363 1.00999.00 ATOM 190 CA GLU 26 -16.574 4.448 -9.005 1.00999.00 ATOM 191 CB GLU 26 -17.986 3.982 -8.644 1.00999.00 ATOM 192 CG GLU 26 -19.091 4.720 -9.383 1.00999.00 ATOM 193 CD GLU 26 -19.121 6.201 -9.060 1.00999.00 ATOM 194 OE1 GLU 26 -19.145 6.546 -7.859 1.00999.00 ATOM 195 OE2 GLU 26 -19.120 7.015 -10.006 1.00999.00 ATOM 196 O GLU 26 -15.244 4.617 -7.046 1.00999.00 ATOM 197 C GLU 26 -15.603 3.903 -7.991 1.00999.00 ATOM 198 N LEU 27 -15.158 2.660 -8.173 1.00999.00 ATOM 199 CA LEU 27 -14.131 2.121 -7.234 1.00999.00 ATOM 200 CB LEU 27 -13.847 0.649 -7.539 1.00999.00 ATOM 201 CG LEU 27 -12.970 -0.095 -6.528 1.00999.00 ATOM 202 CD1 LEU 27 -13.131 -1.600 -6.683 1.00999.00 ATOM 203 CD2 LEU 27 -11.511 0.300 -6.689 1.00999.00 ATOM 204 O LEU 27 -12.243 3.267 -6.298 1.00999.00 ATOM 205 C LEU 27 -12.844 2.935 -7.320 1.00999.00 ATOM 206 N SER 28 -12.424 3.255 -8.540 1.00999.00 ATOM 207 CA SER 28 -11.203 4.036 -8.742 1.00999.00 ATOM 208 CB SER 28 -10.865 4.160 -10.230 1.00999.00 ATOM 209 OG SER 28 -11.843 4.925 -10.912 1.00999.00 ATOM 210 O SER 28 -10.406 5.841 -7.377 1.00999.00 ATOM 211 C SER 28 -11.313 5.410 -8.090 1.00999.00 ATOM 212 N LYS 29 -12.424 6.097 -8.335 1.00999.00 ATOM 213 CA LYS 29 -12.640 7.430 -7.758 1.00999.00 ATOM 214 CB LYS 29 -13.926 8.037 -8.325 1.00999.00 ATOM 215 CG LYS 29 -13.850 8.383 -9.803 1.00999.00 ATOM 216 CD LYS 29 -15.162 8.968 -10.300 1.00999.00 ATOM 217 CE LYS 29 -15.086 9.318 -11.777 1.00999.00 ATOM 218 NZ LYS 29 -16.378 9.853 -12.288 1.00999.00 ATOM 219 O LYS 29 -12.110 8.226 -5.544 1.00999.00 ATOM 220 C LYS 29 -12.700 7.380 -6.218 1.00999.00 ATOM 221 N MET 30 -13.409 6.394 -5.677 1.00999.00 ATOM 222 CA MET 30 -13.528 6.255 -4.230 1.00999.00 ATOM 223 CB MET 30 -14.532 5.164 -3.853 1.00999.00 ATOM 224 CG MET 30 -15.960 5.458 -4.285 1.00999.00 ATOM 225 SD MET 30 -16.615 6.963 -3.541 1.00999.00 ATOM 226 CE MET 30 -16.302 8.150 -4.845 1.00999.00 ATOM 227 O MET 30 -11.884 6.528 -2.505 1.00999.00 ATOM 228 C MET 30 -12.196 5.972 -3.585 1.00999.00 ATOM 229 N LEU 31 -11.424 5.108 -4.214 1.00999.00 ATOM 230 CA LEU 31 -10.071 4.800 -3.711 1.00999.00 ATOM 231 CB LEU 31 -9.427 3.694 -4.550 1.00999.00 ATOM 232 CG LEU 31 -7.998 3.300 -4.170 1.00999.00 ATOM 233 CD1 LEU 31 -7.948 2.762 -2.748 1.00999.00 ATOM 234 CD2 LEU 31 -7.447 2.271 -5.145 1.00999.00 ATOM 235 O LEU 31 -8.465 6.341 -2.758 1.00999.00 ATOM 236 C LEU 31 -9.183 6.077 -3.723 1.00999.00 ATOM 237 N GLU 32 -9.247 6.845 -4.805 1.00999.00 ATOM 238 CA GLU 32 -8.457 8.065 -4.914 1.00999.00 ATOM 239 CB GLU 32 -8.745 8.793 -6.229 1.00999.00 ATOM 240 CG GLU 32 -7.954 10.076 -6.415 1.00999.00 ATOM 241 CD GLU 32 -8.240 10.749 -7.744 1.00999.00 ATOM 242 OE1 GLU 32 -9.072 10.220 -8.510 1.00999.00 ATOM 243 OE2 GLU 32 -7.631 11.805 -8.017 1.00999.00 ATOM 244 O GLU 32 -7.875 9.522 -3.095 1.00999.00 ATOM 245 C GLU 32 -8.773 8.992 -3.745 1.00999.00 ATOM 246 N LYS 33 -10.068 9.178 -3.468 1.00999.00 ATOM 247 CA LYS 33 -10.534 10.024 -2.383 1.00999.00 ATOM 248 CB LYS 33 -12.060 10.124 -2.396 1.00999.00 ATOM 249 CG LYS 33 -12.619 10.925 -3.560 1.00999.00 ATOM 250 CD LYS 33 -14.138 10.967 -3.523 1.00999.00 ATOM 251 CE LYS 33 -14.699 11.756 -4.695 1.00999.00 ATOM 252 NZ LYS 33 -16.187 11.770 -4.695 1.00999.00 ATOM 253 O LYS 33 -9.642 10.287 -0.147 1.00999.00 ATOM 254 C LYS 33 -10.059 9.520 -1.030 1.00999.00 ATOM 255 N VAL 34 -10.164 8.238 -0.804 1.00999.00 ATOM 256 CA VAL 34 -9.807 7.637 0.496 1.00999.00 ATOM 257 CB VAL 34 -10.302 6.183 0.600 1.00999.00 ATOM 258 CG1 VAL 34 -9.774 5.530 1.868 1.00999.00 ATOM 259 CG2 VAL 34 -11.821 6.132 0.564 1.00999.00 ATOM 260 O VAL 34 -7.839 8.023 1.812 1.00999.00 ATOM 261 C VAL 34 -8.300 7.713 0.713 1.00999.00 ATOM 262 N ALA 35 -7.535 7.431 -0.336 1.00999.00 ATOM 263 CA ALA 35 -6.061 7.474 -0.246 1.00999.00 ATOM 264 CB ALA 35 -5.419 6.979 -1.534 1.00999.00 ATOM 265 O ALA 35 -4.631 9.072 0.825 1.00999.00 ATOM 266 C ALA 35 -5.574 8.885 0.055 1.00999.00 ATOM 267 N LYS 36 -6.217 9.877 -0.551 1.00999.00 ATOM 268 CA LYS 36 -5.838 11.268 -0.333 1.00999.00 ATOM 269 CB LYS 36 -6.586 12.200 -1.290 1.00999.00 ATOM 270 CG LYS 36 -6.167 12.063 -2.743 1.00999.00 ATOM 271 CD LYS 36 -6.944 13.018 -3.634 1.00999.00 ATOM 272 CE LYS 36 -6.509 12.898 -5.087 1.00999.00 ATOM 273 NZ LYS 36 -7.298 13.792 -5.978 1.00999.00 ATOM 274 O LYS 36 -5.318 12.473 1.654 1.00999.00 ATOM 275 C LYS 36 -6.091 11.679 1.107 1.00999.00 ATOM 276 N GLU 37 -7.143 11.150 1.770 1.00999.00 ATOM 277 CA GLU 37 -7.391 11.510 3.161 1.00999.00 ATOM 278 CB GLU 37 -8.875 11.351 3.499 1.00999.00 ATOM 279 CG GLU 37 -9.788 12.315 2.758 1.00999.00 ATOM 280 CD GLU 37 -11.250 12.113 3.101 1.00999.00 ATOM 281 OE1 GLU 37 -11.556 11.176 3.868 1.00999.00 ATOM 282 OE2 GLU 37 -12.089 12.893 2.604 1.00999.00 ATOM 283 O GLU 37 -6.683 10.958 5.373 1.00999.00 ATOM 284 C GLU 37 -6.590 10.702 4.173 1.00999.00 ATOM 285 N SER 38 -5.739 9.716 3.681 1.00999.00 ATOM 286 CA SER 38 -5.064 8.862 4.648 1.00999.00 ATOM 287 CB SER 38 -5.696 7.468 4.677 1.00999.00 ATOM 288 OG SER 38 -5.553 6.817 3.428 1.00999.00 ATOM 289 O SER 38 -2.877 8.303 5.427 1.00999.00 ATOM 290 C SER 38 -3.554 8.708 4.484 1.00999.00 ATOM 291 N SER 39 -3.023 8.992 3.288 1.00999.00 ATOM 292 CA SER 39 -1.575 8.851 3.097 1.00999.00 ATOM 293 CB SER 39 -1.141 9.464 1.764 1.00999.00 ATOM 294 OG SER 39 0.263 9.372 1.592 1.00999.00 ATOM 295 O SER 39 -1.190 10.589 4.690 1.00999.00 ATOM 296 C SER 39 -0.862 9.465 4.289 1.00999.00 ATOM 297 N VAL 40 0.179 8.781 4.813 1.00999.00 ATOM 298 CA VAL 40 0.810 9.320 6.020 1.00999.00 ATOM 299 CB VAL 40 1.842 8.341 6.611 1.00999.00 ATOM 300 CG1 VAL 40 3.062 8.244 5.708 1.00999.00 ATOM 301 CG2 VAL 40 2.246 8.775 8.012 1.00999.00 ATOM 302 O VAL 40 1.613 11.410 6.815 1.00999.00 ATOM 303 C VAL 40 1.490 10.643 5.834 1.00999.00 ATOM 304 N GLY 41 1.919 10.979 4.647 1.00999.00 ATOM 305 CA GLY 41 2.518 12.289 4.392 1.00999.00 ATOM 306 O GLY 41 1.933 14.573 4.130 1.00999.00 ATOM 307 C GLY 41 1.519 13.431 4.257 1.00999.00 ATOM 308 N THR 42 0.146 13.112 4.654 1.00999.00 ATOM 309 CA THR 42 -0.891 14.140 4.613 1.00999.00 ATOM 310 CB THR 42 -2.198 13.628 4.002 1.00999.00 ATOM 311 CG2 THR 42 -1.925 13.179 2.568 1.00999.00 ATOM 312 OG1 THR 42 -2.779 12.549 4.716 1.00999.00 ATOM 313 O THR 42 -1.040 13.759 6.965 1.00999.00 ATOM 314 C THR 42 -1.272 14.533 6.022 1.00999.00 ATOM 315 N PRO 43 -1.768 15.781 6.197 1.00999.00 ATOM 316 CA PRO 43 -2.226 16.205 7.508 1.00999.00 ATOM 317 CB PRO 43 -2.941 17.531 7.240 1.00999.00 ATOM 318 CG PRO 43 -2.240 18.098 6.051 1.00999.00 ATOM 319 CD PRO 43 -1.948 16.936 5.145 1.00999.00 ATOM 320 O PRO 43 -3.112 14.912 9.324 1.00999.00 ATOM 321 C PRO 43 -3.191 15.200 8.129 1.00999.00 ATOM 322 N ARG 44 -4.112 14.684 7.323 1.00999.00 ATOM 323 CA ARG 44 -5.130 13.703 7.817 1.00999.00 ATOM 324 CB ARG 44 -6.408 13.795 6.982 1.00999.00 ATOM 325 CG ARG 44 -7.116 15.137 7.079 1.00999.00 ATOM 326 CD ARG 44 -8.379 15.155 6.232 1.00999.00 ATOM 327 NE ARG 44 -9.392 14.234 6.739 1.00999.00 ATOM 328 CZ ARG 44 -10.501 13.906 6.083 1.00999.00 ATOM 329 NH1 ARG 44 -11.364 13.058 6.622 1.00999.00 ATOM 330 NH2 ARG 44 -10.742 14.429 4.887 1.00999.00 ATOM 331 O ARG 44 -5.456 11.338 7.855 1.00999.00 ATOM 332 C ARG 44 -4.647 12.253 7.815 1.00999.00 ATOM 333 N ALA 45 -3.294 12.086 7.532 1.00999.00 ATOM 334 CA ALA 45 -2.809 10.737 7.393 1.00999.00 ATOM 335 CB ALA 45 -1.293 10.711 7.318 1.00999.00 ATOM 336 O ALA 45 -3.064 10.150 9.754 1.00999.00 ATOM 337 C ALA 45 -3.091 9.787 8.561 1.00999.00 ATOM 338 N ILE 46 -3.368 8.538 8.202 1.00999.00 ATOM 339 CA ILE 46 -3.646 7.513 9.169 1.00999.00 ATOM 340 CB ILE 46 -5.158 7.472 9.456 1.00999.00 ATOM 341 CG1 ILE 46 -5.637 8.823 9.990 1.00999.00 ATOM 342 CG2 ILE 46 -5.487 6.336 10.413 1.00999.00 ATOM 343 CD1 ILE 46 -7.141 8.936 10.107 1.00999.00 ATOM 344 O ILE 46 -3.690 5.628 7.666 1.00999.00 ATOM 345 C ILE 46 -3.123 6.212 8.588 1.00999.00 ATOM 346 N ASN 47 -1.971 5.772 9.094 1.00999.00 ATOM 347 CA ASN 47 -1.253 4.658 8.511 1.00999.00 ATOM 348 CB ASN 47 0.084 4.448 9.225 1.00999.00 ATOM 349 CG ASN 47 1.103 5.515 8.880 1.00999.00 ATOM 350 ND2 ASN 47 2.120 5.657 9.723 1.00999.00 ATOM 351 OD1 ASN 47 0.978 6.201 7.866 1.00999.00 ATOM 352 O ASN 47 -2.051 2.679 7.579 1.00999.00 ATOM 353 C ASN 47 -2.085 3.383 8.549 1.00999.00 ATOM 354 N GLU 48 -2.741 3.092 9.683 1.00999.00 ATOM 355 CA GLU 48 -3.540 1.852 9.741 1.00999.00 ATOM 356 CB GLU 48 -4.114 1.651 11.145 1.00999.00 ATOM 357 CG GLU 48 -3.074 1.296 12.195 1.00999.00 ATOM 358 CD GLU 48 -3.667 1.179 13.586 1.00999.00 ATOM 359 OE1 GLU 48 -4.843 1.560 13.764 1.00999.00 ATOM 360 OE2 GLU 48 -2.954 0.710 14.499 1.00999.00 ATOM 361 O GLU 48 -4.904 0.904 7.995 1.00999.00 ATOM 362 C GLU 48 -4.659 1.875 8.725 1.00999.00 ATOM 363 N ASP 49 -5.316 3.045 8.561 1.00999.00 ATOM 364 CA ASP 49 -6.391 3.189 7.587 1.00999.00 ATOM 365 CB ASP 49 -6.964 4.608 7.635 1.00999.00 ATOM 366 CG ASP 49 -7.788 4.862 8.883 1.00999.00 ATOM 367 OD1 ASP 49 -8.145 3.881 9.567 1.00999.00 ATOM 368 OD2 ASP 49 -8.076 6.041 9.174 1.00999.00 ATOM 369 O ASP 49 -6.486 2.206 5.394 1.00999.00 ATOM 370 C ASP 49 -5.861 2.912 6.177 1.00999.00 ATOM 371 N ILE 50 -4.703 3.454 5.856 1.00999.00 ATOM 372 CA ILE 50 -4.097 3.208 4.555 1.00999.00 ATOM 373 CB ILE 50 -2.966 4.210 4.263 1.00999.00 ATOM 374 CG1 ILE 50 -2.663 4.252 2.764 1.00999.00 ATOM 375 CG2 ILE 50 -1.730 3.871 5.081 1.00999.00 ATOM 376 CD1 ILE 50 -1.776 5.407 2.351 1.00999.00 ATOM 377 O ILE 50 -3.884 1.100 3.411 1.00999.00 ATOM 378 C ILE 50 -3.666 1.733 4.443 1.00999.00 ATOM 379 N LEU 51 -3.160 1.088 5.594 1.00999.00 ATOM 380 CA LEU 51 -2.760 -0.319 5.609 1.00999.00 ATOM 381 CB LEU 51 -2.044 -0.593 6.941 1.00999.00 ATOM 382 CG LEU 51 -0.758 0.235 7.118 1.00999.00 ATOM 383 CD1 LEU 51 -0.216 0.047 8.530 1.00999.00 ATOM 384 CD2 LEU 51 0.281 -0.150 6.089 1.00999.00 ATOM 385 O LEU 51 -3.736 -2.372 4.834 1.00999.00 ATOM 386 C LEU 51 -3.925 -1.278 5.368 1.00999.00 ATOM 387 N ASP 52 -5.125 -0.867 5.762 1.00999.00 ATOM 388 CA ASP 52 -6.308 -1.701 5.579 1.00999.00 ATOM 389 CB ASP 52 -7.483 -1.118 6.346 1.00999.00 ATOM 390 CG ASP 52 -7.528 -1.261 7.843 1.00999.00 ATOM 391 OD1 ASP 52 -6.672 -1.940 8.447 1.00999.00 ATOM 392 OD2 ASP 52 -8.419 -0.672 8.496 1.00999.00 ATOM 393 O ASP 52 -7.511 -2.785 3.828 1.00999.00 ATOM 394 C ASP 52 -6.714 -1.882 4.114 1.00999.00 ATOM 395 N GLN 53 -6.301 -1.000 3.181 1.00999.00 ATOM 396 CA GLN 53 -6.684 -1.079 1.770 1.00999.00 ATOM 397 CB GLN 53 -6.274 0.239 1.075 1.00999.00 ATOM 398 CG GLN 53 -7.057 1.434 1.584 1.00999.00 ATOM 399 CD GLN 53 -6.671 2.760 0.970 1.00999.00 ATOM 400 OE1 GLN 53 -6.082 2.840 -0.106 1.00999.00 ATOM 401 NE2 GLN 53 -7.024 3.837 1.670 1.00999.00 ATOM 402 O GLN 53 -6.375 -2.442 -0.205 1.00999.00 ATOM 403 C GLN 53 -6.107 -2.244 0.997 1.00999.00 ATOM 404 N GLY 54 -5.162 -2.814 2.010 1.00999.00 ATOM 405 CA GLY 54 -3.987 -3.606 1.696 1.00999.00 ATOM 406 O GLY 54 -5.484 -5.456 1.905 1.00999.00 ATOM 407 C GLY 54 -4.369 -5.068 1.545 1.00999.00 ATOM 408 N TYR 55 -3.455 -5.881 1.017 1.00999.00 ATOM 409 CA TYR 55 -3.693 -7.309 0.817 1.00999.00 ATOM 410 CB TYR 55 -3.349 -7.713 -0.618 1.00999.00 ATOM 411 CG TYR 55 -3.592 -9.177 -0.917 1.00999.00 ATOM 412 CD1 TYR 55 -4.881 -9.662 -1.091 1.00999.00 ATOM 413 CD2 TYR 55 -2.530 -10.066 -1.023 1.00999.00 ATOM 414 CE1 TYR 55 -5.112 -10.997 -1.364 1.00999.00 ATOM 415 CE2 TYR 55 -2.742 -11.404 -1.295 1.00999.00 ATOM 416 CZ TYR 55 -4.046 -11.866 -1.466 1.00999.00 ATOM 417 OH TYR 55 -4.274 -13.196 -1.739 1.00999.00 ATOM 418 O TYR 55 -1.649 -8.090 1.821 1.00999.00 ATOM 419 C TYR 55 -2.881 -8.142 1.806 1.00999.00 ATOM 420 N THR 56 -3.582 -8.910 2.634 1.00999.00 ATOM 421 CA THR 56 -2.948 -9.740 3.644 1.00999.00 ATOM 422 CB THR 56 -1.932 -10.716 3.022 1.00999.00 ATOM 423 CG2 THR 56 -1.567 -11.809 4.015 1.00999.00 ATOM 424 OG1 THR 56 -2.502 -11.327 1.857 1.00999.00 ATOM 425 O THR 56 -1.053 -8.865 4.859 1.00999.00 ATOM 426 C THR 56 -2.271 -8.843 4.681 1.00999.00 ATOM 427 N VAL 57 -3.087 -8.033 5.344 1.00999.00 ATOM 428 CA VAL 57 -2.620 -7.121 6.378 1.00999.00 ATOM 429 CB VAL 57 -3.604 -5.953 6.576 1.00999.00 ATOM 430 CG1 VAL 57 -3.143 -5.054 7.713 1.00999.00 ATOM 431 CG2 VAL 57 -3.750 -5.155 5.288 1.00999.00 ATOM 432 O VAL 57 -3.334 -8.636 8.100 1.00999.00 ATOM 433 C VAL 57 -2.428 -7.930 7.657 1.00999.00 ATOM 434 N GLU 58 -1.238 -7.829 8.234 1.00999.00 ATOM 435 CA GLU 58 -0.880 -8.579 9.428 1.00999.00 ATOM 436 CB GLU 58 0.230 -9.587 9.147 1.00999.00 ATOM 437 CG GLU 58 1.623 -9.040 8.904 1.00999.00 ATOM 438 CD GLU 58 2.579 -10.119 8.358 1.00999.00 ATOM 439 OE1 GLU 58 3.624 -9.734 7.878 1.00999.00 ATOM 440 OE2 GLU 58 2.298 -11.347 8.371 1.00999.00 ATOM 441 O GLU 58 -0.251 -6.435 10.261 1.00999.00 ATOM 442 C GLU 58 -0.483 -7.621 10.520 1.00999.00 ATOM 443 N GLY 59 -0.546 -8.290 11.783 1.00999.00 ATOM 444 CA GLY 59 -0.292 -7.534 12.999 1.00999.00 ATOM 445 O GLY 59 0.973 -5.543 13.440 1.00999.00 ATOM 446 C GLY 59 0.928 -6.629 12.861 1.00999.00 ATOM 447 N ASN 60 1.916 -7.078 12.092 1.00999.00 ATOM 448 CA ASN 60 3.129 -6.295 11.887 1.00999.00 ATOM 449 CB ASN 60 4.355 -7.207 11.811 1.00999.00 ATOM 450 CG ASN 60 4.710 -7.818 13.153 1.00999.00 ATOM 451 ND2 ASN 60 5.071 -9.096 13.142 1.00999.00 ATOM 452 OD1 ASN 60 4.660 -7.148 14.184 1.00999.00 ATOM 453 O ASN 60 4.086 -4.908 10.159 1.00999.00 ATOM 454 C ASN 60 3.064 -5.422 10.614 1.00999.00 ATOM 455 N GLN 61 1.908 -5.349 9.940 1.00999.00 ATOM 456 CA GLN 61 1.732 -4.516 8.756 1.00999.00 ATOM 457 CB GLN 61 0.310 -4.656 8.210 1.00999.00 ATOM 458 CG GLN 61 0.053 -3.869 6.934 1.00999.00 ATOM 459 CD GLN 61 0.879 -4.370 5.766 1.00999.00 ATOM 460 OE1 GLN 61 0.846 -5.556 5.433 1.00999.00 ATOM 461 NE2 GLN 61 1.623 -3.467 5.138 1.00999.00 ATOM 462 O GLN 61 2.670 -2.362 8.297 1.00999.00 ATOM 463 C GLN 61 2.012 -3.047 9.075 1.00999.00 ATOM 464 N LEU 62 1.559 -2.585 10.238 1.00999.00 ATOM 465 CA LEU 62 1.864 -1.232 10.701 1.00999.00 ATOM 466 CB LEU 62 1.131 -0.935 12.011 1.00999.00 ATOM 467 CG LEU 62 1.343 0.458 12.606 1.00999.00 ATOM 468 CD1 LEU 62 0.870 1.533 11.642 1.00999.00 ATOM 469 CD2 LEU 62 0.623 0.588 13.940 1.00999.00 ATOM 470 O LEU 62 3.915 0.035 10.554 1.00999.00 ATOM 471 C LEU 62 3.378 -1.022 10.895 1.00999.00 ATOM 472 N ILE 63 4.053 -1.956 11.423 1.00999.00 ATOM 473 CA ILE 63 5.498 -1.912 11.664 1.00999.00 ATOM 474 CB ILE 63 5.960 -3.084 12.548 1.00999.00 ATOM 475 CG1 ILE 63 5.397 -2.938 13.965 1.00999.00 ATOM 476 CG2 ILE 63 7.476 -3.186 12.549 1.00999.00 ATOM 477 CD1 ILE 63 5.569 -4.173 14.821 1.00999.00 ATOM 478 O ILE 63 7.460 -1.469 10.357 1.00999.00 ATOM 479 C ILE 63 6.307 -1.891 10.365 1.00999.00 ATOM 480 N ASN 64 5.689 -2.218 9.124 1.00999.00 ATOM 481 CA ASN 64 6.276 -2.229 7.783 1.00999.00 ATOM 482 CB ASN 64 6.130 -3.658 7.233 1.00999.00 ATOM 483 CG ASN 64 6.518 -3.769 5.781 1.00999.00 ATOM 484 ND2 ASN 64 6.924 -4.995 5.373 1.00999.00 ATOM 485 OD1 ASN 64 6.483 -2.827 5.008 1.00999.00 ATOM 486 O ASN 64 4.348 -1.343 6.701 1.00999.00 ATOM 487 C ASN 64 5.551 -1.199 6.946 1.00999.00 ATOM 488 N HIS 65 6.255 -0.166 6.508 1.00999.00 ATOM 489 CA HIS 65 5.554 1.023 6.072 1.00999.00 ATOM 490 CB HIS 65 5.430 1.969 7.293 1.00999.00 ATOM 491 CG HIS 65 6.735 2.276 7.920 1.00999.00 ATOM 492 CD2 HIS 65 7.704 3.185 7.668 1.00999.00 ATOM 493 ND1 HIS 65 7.329 1.646 8.945 1.00999.00 ATOM 494 CE1 HIS 65 8.453 2.023 9.416 1.00999.00 ATOM 495 NE2 HIS 65 8.708 3.020 8.552 1.00999.00 ATOM 496 O HIS 65 7.431 1.673 4.736 1.00999.00 ATOM 497 C HIS 65 6.210 1.669 4.872 1.00999.00 ATOM 498 N LEU 66 5.378 2.243 4.024 1.00999.00 ATOM 499 CA LEU 66 5.817 3.211 3.064 1.00999.00 ATOM 500 CB LEU 66 5.108 2.970 1.731 1.00999.00 ATOM 501 CG LEU 66 5.471 3.920 0.588 1.00999.00 ATOM 502 CD1 LEU 66 6.932 3.759 0.198 1.00999.00 ATOM 503 CD2 LEU 66 4.573 3.682 -0.616 1.00999.00 ATOM 504 O LEU 66 4.448 4.996 3.899 1.00999.00 ATOM 505 C LEU 66 5.579 4.627 3.579 1.00999.00 ATOM 506 N SER 67 6.645 5.417 3.658 1.00999.00 ATOM 507 CA SER 67 6.532 6.789 4.133 1.00999.00 ATOM 508 CB SER 67 7.537 7.050 5.257 1.00999.00 ATOM 509 OG SER 67 8.869 6.912 4.792 1.00999.00 ATOM 510 O SER 67 7.582 7.433 2.072 1.00999.00 ATOM 511 C SER 67 6.825 7.746 2.986 1.00999.00 ATOM 512 N VAL 68 6.196 8.896 3.044 1.00999.00 ATOM 513 CA VAL 68 6.428 9.965 2.083 1.00999.00 ATOM 514 CB VAL 68 5.199 10.239 1.197 1.00999.00 ATOM 515 CG1 VAL 68 4.826 8.995 0.405 1.00999.00 ATOM 516 CG2 VAL 68 4.026 10.707 2.043 1.00999.00 ATOM 517 O VAL 68 6.453 11.330 4.039 1.00999.00 ATOM 518 C VAL 68 6.856 11.180 2.870 1.00999.00 ATOM 519 N ARG 69 7.671 12.056 2.248 1.00999.00 ATOM 520 CA ARG 69 7.977 13.292 2.969 1.00999.00 ATOM 521 CB ARG 69 8.659 14.278 2.018 1.00999.00 ATOM 522 CG ARG 69 8.725 15.719 2.569 1.00999.00 ATOM 523 CD ARG 69 9.938 15.870 3.506 1.00999.00 ATOM 524 NE ARG 69 11.147 15.728 2.704 1.00999.00 ATOM 525 CZ ARG 69 12.306 15.234 3.117 1.00999.00 ATOM 526 NH1 ARG 69 12.468 14.813 4.364 1.00999.00 ATOM 527 NH2 ARG 69 13.304 15.137 2.257 1.00999.00 ATOM 528 O ARG 69 5.733 13.942 2.538 1.00999.00 ATOM 529 C ARG 69 6.671 13.946 3.337 1.00999.00 ATOM 530 N ALA 70 6.587 14.471 4.546 1.00999.00 ATOM 531 CA ALA 70 5.358 15.101 4.980 1.00999.00 ATOM 532 CB ALA 70 5.488 15.583 6.416 1.00999.00 ATOM 533 O ALA 70 3.734 16.536 3.929 1.00999.00 ATOM 534 C ALA 70 4.931 16.284 4.095 1.00999.00 ATOM 535 N SER 71 5.838 16.720 3.121 1.00999.00 ATOM 536 CA SER 71 5.480 17.830 2.205 1.00999.00 ATOM 537 CB SER 71 6.723 18.645 1.841 1.00999.00 ATOM 538 OG SER 71 7.624 17.880 1.060 1.00999.00 ATOM 539 O SER 71 4.151 18.140 0.212 1.00999.00 ATOM 540 C SER 71 4.800 17.362 0.907 1.00999.00 ATOM 541 N HIS 72 4.908 16.069 0.636 1.00999.00 ATOM 542 CA HIS 72 4.397 15.455 -0.571 1.00999.00 ATOM 543 CB HIS 72 4.854 13.997 -0.666 1.00999.00 ATOM 544 CG HIS 72 6.328 13.840 -0.877 1.00999.00 ATOM 545 CD2 HIS 72 7.373 14.618 -1.527 1.00999.00 ATOM 546 ND1 HIS 72 7.036 12.753 -0.411 1.00999.00 ATOM 547 CE1 HIS 72 8.329 12.892 -0.752 1.00999.00 ATOM 548 NE2 HIS 72 8.539 14.009 -1.422 1.00999.00 ATOM 549 O HIS 72 2.207 15.234 0.298 1.00999.00 ATOM 550 C HIS 72 2.880 15.501 -0.675 1.00999.00 ATOM 551 N ALA 73 2.885 15.892 -2.179 1.00999.00 ATOM 552 CA ALA 73 1.471 15.768 -2.503 1.00999.00 ATOM 553 CB ALA 73 1.136 16.595 -3.734 1.00999.00 ATOM 554 O ALA 73 -0.112 14.014 -2.870 1.00999.00 ATOM 555 C ALA 73 1.064 14.303 -2.716 1.00999.00 ATOM 556 N GLU 74 2.022 13.371 -2.712 1.00999.00 ATOM 557 CA GLU 74 1.665 11.938 -2.759 1.00999.00 ATOM 558 CB GLU 74 2.926 11.072 -2.787 1.00999.00 ATOM 559 CG GLU 74 2.654 9.584 -2.941 1.00999.00 ATOM 560 CD GLU 74 3.927 8.763 -3.009 1.00999.00 ATOM 561 OE1 GLU 74 4.975 9.320 -3.397 1.00999.00 ATOM 562 OE2 GLU 74 3.875 7.561 -2.674 1.00999.00 ATOM 563 O GLU 74 1.176 11.725 -0.419 1.00999.00 ATOM 564 C GLU 74 0.780 11.562 -1.574 1.00999.00 ATOM 565 N ARG 75 -0.415 11.056 -1.863 1.00999.00 ATOM 566 CA ARG 75 -1.336 10.661 -0.813 1.00999.00 ATOM 567 CB ARG 75 -2.441 11.699 -0.686 1.00999.00 ATOM 568 CG ARG 75 -1.898 13.100 -0.437 1.00999.00 ATOM 569 CD ARG 75 -3.003 14.068 -0.106 1.00999.00 ATOM 570 NE ARG 75 -2.499 15.417 0.134 1.00999.00 ATOM 571 CZ ARG 75 -3.105 16.300 0.921 1.00999.00 ATOM 572 NH1 ARG 75 -4.231 15.967 1.541 1.00999.00 ATOM 573 NH2 ARG 75 -2.593 17.512 1.085 1.00999.00 ATOM 574 O ARG 75 -1.999 8.558 0.125 1.00999.00 ATOM 575 C ARG 75 -1.715 9.189 -0.895 1.00999.00 ATOM 576 N MET 76 -1.686 8.606 -2.052 1.00999.00 ATOM 577 CA MET 76 -2.124 7.233 -2.261 1.00999.00 ATOM 578 CB MET 76 -3.367 7.212 -3.153 1.00999.00 ATOM 579 CG MET 76 -3.111 7.650 -4.586 1.00999.00 ATOM 580 SD MET 76 -4.619 7.728 -5.570 1.00999.00 ATOM 581 CE MET 76 -5.437 9.137 -4.827 1.00999.00 ATOM 582 O MET 76 0.044 6.905 -3.350 1.00999.00 ATOM 583 C MET 76 -0.997 6.378 -2.877 1.00999.00 ATOM 584 N ARG 77 -1.668 5.046 -2.616 1.00999.00 ATOM 585 CA ARG 77 -0.760 4.115 -3.297 1.00999.00 ATOM 586 CB ARG 77 -1.175 2.668 -3.026 1.00999.00 ATOM 587 CG ARG 77 -0.912 2.202 -1.603 1.00999.00 ATOM 588 CD ARG 77 -1.057 0.694 -1.478 1.00999.00 ATOM 589 NE ARG 77 -2.418 0.250 -1.769 1.00999.00 ATOM 590 CZ ARG 77 -3.388 0.173 -0.864 1.00999.00 ATOM 591 NH1 ARG 77 -4.595 -0.242 -1.220 1.00999.00 ATOM 592 NH2 ARG 77 -3.148 0.513 0.395 1.00999.00 ATOM 593 O ARG 77 0.316 4.238 -5.463 1.00999.00 ATOM 594 C ARG 77 -0.735 4.330 -4.821 1.00999.00 ATOM 595 N SER 78 -1.893 4.636 -5.386 1.00999.00 ATOM 596 CA SER 78 -2.005 4.986 -6.795 1.00999.00 ATOM 597 CB SER 78 -3.444 5.386 -7.126 1.00999.00 ATOM 598 OG SER 78 -4.320 4.277 -7.016 1.00999.00 ATOM 599 O SER 78 -0.471 6.087 -8.216 1.00999.00 ATOM 600 C SER 78 -1.069 6.119 -7.152 1.00999.00 ATOM 601 N ASN 79 -0.560 7.303 -5.954 1.00999.00 ATOM 602 CA ASN 79 0.467 8.323 -6.264 1.00999.00 ATOM 603 CB ASN 79 0.400 9.475 -5.260 1.00999.00 ATOM 604 CG ASN 79 -0.821 10.351 -5.460 1.00999.00 ATOM 605 ND2 ASN 79 -1.205 11.077 -4.417 1.00999.00 ATOM 606 OD1 ASN 79 -1.410 10.374 -6.541 1.00999.00 ATOM 607 O ASN 79 2.768 8.352 -6.905 1.00999.00 ATOM 608 C ASN 79 1.885 7.741 -6.324 1.00999.00 ATOM 609 N PRO 80 2.110 6.570 -5.744 1.00999.00 ATOM 610 CA PRO 80 3.445 5.917 -5.826 1.00999.00 ATOM 611 CB PRO 80 3.353 4.830 -4.752 1.00999.00 ATOM 612 CG PRO 80 2.212 5.124 -3.900 1.00999.00 ATOM 613 CD PRO 80 1.316 6.081 -4.614 1.00999.00 ATOM 614 O PRO 80 5.014 5.228 -7.480 1.00999.00 ATOM 615 C PRO 80 3.857 5.480 -7.238 1.00999.00 ATOM 616 N ASP 81 2.914 5.384 -8.164 1.00999.00 ATOM 617 CA ASP 81 3.254 4.992 -9.543 1.00999.00 ATOM 618 CB ASP 81 2.023 5.093 -10.446 1.00999.00 ATOM 619 CG ASP 81 2.280 4.560 -11.842 1.00999.00 ATOM 620 OD1 ASP 81 3.092 5.170 -12.571 1.00999.00 ATOM 621 OD2 ASP 81 1.670 3.533 -12.208 1.00999.00 ATOM 622 O ASP 81 4.334 7.095 -10.011 1.00999.00 ATOM 623 C ASP 81 4.377 5.856 -10.087 1.00999.00 ATOM 624 N SER 82 5.472 5.425 -10.874 1.00999.00 ATOM 625 CA SER 82 6.547 6.153 -11.486 1.00999.00 ATOM 626 CB SER 82 6.003 7.167 -12.494 1.00999.00 ATOM 627 OG SER 82 5.280 6.520 -13.527 1.00999.00 ATOM 628 O SER 82 8.115 7.821 -10.885 1.00999.00 ATOM 629 C SER 82 7.395 6.899 -10.490 1.00999.00 ATOM 630 N VAL 83 7.343 6.505 -9.216 1.00999.00 ATOM 631 CA VAL 83 8.127 7.183 -8.192 1.00999.00 ATOM 632 CB VAL 83 7.289 7.526 -6.947 1.00999.00 ATOM 633 CG1 VAL 83 6.164 8.483 -7.309 1.00999.00 ATOM 634 CG2 VAL 83 6.732 6.260 -6.313 1.00999.00 ATOM 635 O VAL 83 9.369 5.147 -8.002 1.00999.00 ATOM 636 C VAL 83 9.328 6.343 -7.769 1.00999.00 ATOM 637 N ARG 84 10.292 7.013 -7.167 1.00999.00 ATOM 638 CA ARG 84 11.476 6.363 -6.643 1.00999.00 ATOM 639 CB ARG 84 12.691 7.283 -6.767 1.00999.00 ATOM 640 CG ARG 84 13.077 7.610 -8.201 1.00999.00 ATOM 641 CD ARG 84 14.133 8.704 -8.253 1.00999.00 ATOM 642 NE ARG 84 13.625 9.978 -7.748 1.00999.00 ATOM 643 CZ ARG 84 14.376 11.058 -7.561 1.00999.00 ATOM 644 NH1 ARG 84 13.829 12.174 -7.098 1.00999.00 ATOM 645 NH2 ARG 84 15.672 11.022 -7.837 1.00999.00 ATOM 646 O ARG 84 11.043 6.828 -4.346 1.00999.00 ATOM 647 C ARG 84 11.251 5.969 -5.208 1.00999.00 ATOM 648 N SER 85 11.250 4.664 -4.981 1.00999.00 ATOM 649 CA SER 85 10.910 4.124 -3.670 1.00999.00 ATOM 650 CB SER 85 9.698 3.198 -3.770 1.00999.00 ATOM 651 OG SER 85 9.401 2.607 -2.516 1.00999.00 ATOM 652 O SER 85 12.636 2.463 -3.769 1.00999.00 ATOM 653 C SER 85 12.136 3.393 -3.140 1.00999.00 ATOM 654 N GLN 86 12.623 3.834 -1.987 1.00999.00 ATOM 655 CA GLN 86 13.752 3.166 -1.348 1.00999.00 ATOM 656 CB GLN 86 14.264 3.827 -0.295 1.00999.00 ATOM 657 CG GLN 86 15.656 4.022 -0.913 1.00999.00 ATOM 658 CD GLN 86 16.424 5.230 -0.405 1.00999.00 ATOM 659 OE1 GLN 86 17.584 5.435 -0.781 1.00999.00 ATOM 660 NE2 GLN 86 15.792 6.035 0.434 1.00999.00 ATOM 661 O GLN 86 12.042 1.947 -0.166 1.00999.00 ATOM 662 C GLN 86 13.217 1.992 -0.523 1.00999.00 ATOM 663 N LEU 87 14.106 0.914 -0.609 1.00999.00 ATOM 664 CA LEU 87 13.831 -0.191 0.280 1.00999.00 ATOM 665 CB LEU 87 12.497 -0.849 -0.078 1.00999.00 ATOM 666 CG LEU 87 12.370 -1.389 -1.504 1.00999.00 ATOM 667 CD1 LEU 87 13.013 -2.763 -1.618 1.00999.00 ATOM 668 CD2 LEU 87 10.910 -1.453 -1.927 1.00999.00 ATOM 669 O LEU 87 15.774 -1.144 -0.772 1.00999.00 ATOM 670 C LEU 87 14.973 -1.170 0.188 1.00999.00 ATOM 671 N GLY 88 15.038 -1.973 1.227 1.00999.00 ATOM 672 CA GLY 88 16.067 -2.967 1.265 1.00999.00 ATOM 673 O GLY 88 14.596 -4.785 0.734 1.00999.00 ATOM 674 C GLY 88 15.620 -4.169 0.440 1.00999.00 ATOM 675 N ASP 89 16.400 -4.511 -0.581 1.00999.00 ATOM 676 CA ASP 89 16.080 -5.658 -1.427 1.00999.00 ATOM 677 CB ASP 89 17.138 -5.829 -2.518 1.00999.00 ATOM 678 CG ASP 89 16.768 -6.901 -3.525 1.00999.00 ATOM 679 OD1 ASP 89 16.781 -8.094 -3.154 1.00999.00 ATOM 680 OD2 ASP 89 16.464 -6.549 -4.683 1.00999.00 ATOM 681 O ASP 89 16.851 -7.146 0.291 1.00999.00 ATOM 682 C ASP 89 16.004 -6.922 -0.574 1.00999.00 ATOM 683 N SER 90 14.909 -7.742 -0.850 1.00999.00 ATOM 684 CA SER 90 14.749 -8.983 -0.099 1.00999.00 ATOM 685 CB SER 90 16.033 -9.802 -0.244 1.00999.00 ATOM 686 OG SER 90 16.270 -10.144 -1.598 1.00999.00 ATOM 687 O SER 90 14.732 -9.720 2.142 1.00999.00 ATOM 688 C SER 90 14.497 -8.809 1.386 1.00999.00 ATOM 689 N VAL 91 14.016 -7.644 1.814 1.00999.00 ATOM 690 CA VAL 91 13.659 -7.437 3.231 1.00999.00 ATOM 691 CB VAL 91 14.235 -6.121 3.787 1.00999.00 ATOM 692 CG1 VAL 91 15.754 -6.140 3.730 1.00999.00 ATOM 693 CG2 VAL 91 13.685 -4.931 3.016 1.00999.00 ATOM 694 O VAL 91 11.503 -7.730 2.314 1.00999.00 ATOM 695 C VAL 91 12.141 -7.466 3.296 1.00999.00 ATOM 696 N CYS 92 11.562 -7.283 4.555 1.00999.00 ATOM 697 CA CYS 92 10.111 -7.368 4.699 1.00999.00 ATOM 698 CB CYS 92 9.844 -7.536 6.225 1.00999.00 ATOM 699 SG CYS 92 8.165 -7.959 6.627 1.00999.00 ATOM 700 O CYS 92 8.353 -6.351 3.413 1.00999.00 ATOM 701 C CYS 92 9.467 -6.230 3.918 1.00999.00 ATOM 702 N SER 93 10.172 -5.104 3.850 1.00999.00 ATOM 703 CA SER 93 9.707 -3.916 3.128 1.00999.00 ATOM 704 CB SER 93 10.722 -2.777 3.258 1.00999.00 ATOM 705 OG SER 93 10.821 -2.333 4.599 1.00999.00 ATOM 706 O SER 93 8.541 -3.703 1.043 1.00999.00 ATOM 707 C SER 93 9.468 -4.235 1.654 1.00999.00 ATOM 708 N ASN 94 10.246 -5.325 1.129 1.00999.00 ATOM 709 CA ASN 94 10.105 -5.731 -0.264 1.00999.00 ATOM 710 CB ASN 94 11.234 -6.683 -0.668 1.00999.00 ATOM 711 CG ASN 94 11.204 -7.031 -2.143 1.00999.00 ATOM 712 ND2 ASN 94 11.013 -8.308 -2.445 1.00999.00 ATOM 713 OD1 ASN 94 11.349 -6.157 -2.999 1.00999.00 ATOM 714 O ASN 94 7.984 -5.955 -1.362 1.00999.00 ATOM 715 C ASN 94 8.711 -6.324 -0.439 1.00999.00 ATOM 716 N THR 95 8.340 -7.242 0.448 1.00999.00 ATOM 717 CA THR 95 7.028 -7.872 0.378 1.00999.00 ATOM 718 CB THR 95 6.911 -9.024 1.393 1.00999.00 ATOM 719 CG2 THR 95 5.498 -9.587 1.399 1.00999.00 ATOM 720 OG1 THR 95 7.819 -10.073 1.036 1.00999.00 ATOM 721 O THR 95 4.888 -6.823 0.018 1.00999.00 ATOM 722 C THR 95 5.926 -6.841 0.682 1.00999.00 ATOM 723 N GLY 96 6.181 -5.918 1.689 1.00999.00 ATOM 724 CA GLY 96 5.216 -4.884 2.043 1.00999.00 ATOM 725 O GLY 96 3.695 -3.831 0.516 1.00999.00 ATOM 726 C GLY 96 4.869 -4.051 0.815 1.00999.00 ATOM 727 N TYR 97 5.829 -3.783 0.105 1.00999.00 ATOM 728 CA TYR 97 5.614 -2.928 -1.043 1.00999.00 ATOM 729 CB TYR 97 6.922 -2.246 -1.480 1.00999.00 ATOM 730 CG TYR 97 6.671 -0.901 -2.130 1.00999.00 ATOM 731 CD1 TYR 97 6.781 0.280 -1.394 1.00999.00 ATOM 732 CD2 TYR 97 6.248 -0.815 -3.457 1.00999.00 ATOM 733 CE1 TYR 97 6.470 1.519 -1.964 1.00999.00 ATOM 734 CE2 TYR 97 5.932 0.419 -4.036 1.00999.00 ATOM 735 CZ TYR 97 6.045 1.578 -3.281 1.00999.00 ATOM 736 OH TYR 97 5.715 2.797 -3.836 1.00999.00 ATOM 737 O TYR 97 3.960 -3.141 -2.763 1.00999.00 ATOM 738 C TYR 97 4.886 -3.675 -2.155 1.00999.00 ATOM 739 N ARG 98 5.326 -4.869 -2.430 1.00999.00 ATOM 740 CA ARG 98 4.672 -5.654 -3.470 1.00999.00 ATOM 741 CB ARG 98 5.305 -7.040 -3.599 1.00999.00 ATOM 742 CG ARG 98 4.730 -7.882 -4.727 1.00999.00 ATOM 743 CD ARG 98 5.476 -9.200 -4.867 1.00999.00 ATOM 744 NE ARG 98 5.365 -10.022 -3.666 1.00999.00 ATOM 745 CZ ARG 98 6.364 -10.244 -2.818 1.00999.00 ATOM 746 NH1 ARG 98 6.172 -11.007 -1.750 1.00999.00 ATOM 747 NH2 ARG 98 7.554 -9.702 -3.039 1.00999.00 ATOM 748 O ARG 98 2.339 -5.555 -4.084 1.00999.00 ATOM 749 C ARG 98 3.172 -5.781 -3.180 1.00999.00 ATOM 750 N GLN 99 2.843 -6.189 -1.953 1.00999.00 ATOM 751 CA GLN 99 1.468 -6.467 -1.548 1.00999.00 ATOM 752 CB GLN 99 1.438 -7.094 -0.152 1.00999.00 ATOM 753 CG GLN 99 1.997 -8.504 -0.092 1.00999.00 ATOM 754 CD GLN 99 2.044 -9.056 1.318 1.00999.00 ATOM 755 OE1 GLN 99 2.116 -8.301 2.288 1.00999.00 ATOM 756 NE2 GLN 99 2.000 -10.378 1.438 1.00999.00 ATOM 757 O GLN 99 -0.503 -5.211 -2.094 1.00999.00 ATOM 758 C GLN 99 0.626 -5.197 -1.585 1.00999.00 ATOM 759 N LEU 100 1.155 -4.114 -1.014 1.00999.00 ATOM 760 CA LEU 100 0.387 -2.870 -0.953 1.00999.00 ATOM 761 CB LEU 100 1.059 -1.876 -0.003 1.00999.00 ATOM 762 CG LEU 100 1.058 -2.250 1.481 1.00999.00 ATOM 763 CD1 LEU 100 1.903 -1.272 2.283 1.00999.00 ATOM 764 CD2 LEU 100 -0.363 -2.292 2.023 1.00999.00 ATOM 765 O LEU 100 -0.862 -1.859 -2.712 1.00999.00 ATOM 766 C LEU 100 0.236 -2.267 -2.348 1.00999.00 ATOM 767 N LEU 101 0.967 -2.687 -3.337 1.00999.00 ATOM 768 CA LEU 101 0.892 -2.175 -4.696 1.00999.00 ATOM 769 CB LEU 101 2.229 -2.293 -5.375 1.00999.00 ATOM 770 CG LEU 101 3.180 -1.242 -4.847 1.00999.00 ATOM 771 CD1 LEU 101 4.560 -1.563 -5.363 1.00999.00 ATOM 772 CD2 LEU 101 2.752 0.112 -5.255 1.00999.00 ATOM 773 O LEU 101 -0.927 -2.314 -6.256 1.00999.00 ATOM 774 C LEU 101 -0.150 -2.924 -5.518 1.00999.00 ATOM 775 N ALA 102 -0.168 -4.264 -5.380 1.00999.00 ATOM 776 CA ALA 102 -1.098 -5.119 -6.103 1.00999.00 ATOM 777 CB ALA 102 -0.914 -6.572 -5.691 1.00999.00 ATOM 778 O ALA 102 -3.372 -4.783 -6.789 1.00999.00 ATOM 779 C ALA 102 -2.552 -4.723 -5.872 1.00999.00 ATOM 780 N ARG 103 -2.482 -3.863 -4.391 1.00999.00 ATOM 781 CA ARG 103 -3.851 -3.453 -4.069 1.00999.00 ATOM 782 CB ARG 103 -3.951 -3.132 -2.577 1.00999.00 ATOM 783 CG ARG 103 -3.788 -4.339 -1.669 1.00999.00 ATOM 784 CD ARG 103 -4.892 -5.357 -1.900 1.00999.00 ATOM 785 NE ARG 103 -6.206 -4.832 -1.537 1.00999.00 ATOM 786 CZ ARG 103 -7.358 -5.332 -1.975 1.00999.00 ATOM 787 NH1 ARG 103 -8.504 -4.787 -1.591 1.00999.00 ATOM 788 NH2 ARG 103 -7.359 -6.373 -2.795 1.00999.00 ATOM 789 O ARG 103 -5.483 -2.144 -5.254 1.00999.00 ATOM 790 C ARG 103 -4.293 -2.272 -4.931 1.00999.00 ATOM 791 N GLY 104 -3.352 -1.398 -5.285 1.00999.00 ATOM 792 CA GLY 104 -3.650 -0.267 -6.166 1.00999.00 ATOM 793 O GLY 104 -3.392 0.404 -8.439 1.00999.00 ATOM 794 C GLY 104 -3.380 -0.517 -7.638 1.00999.00 ATOM 795 N ALA 105 -3.145 -1.775 -7.992 1.00999.00 ATOM 796 CA ALA 105 -2.904 -2.128 -9.372 1.00999.00 ATOM 797 CB ALA 105 -3.956 -1.509 -10.278 1.00999.00 ATOM 798 O ALA 105 -1.331 -1.403 -10.975 1.00999.00 ATOM 799 C ALA 105 -1.533 -1.703 -9.834 1.00999.00 ATOM 800 N ILE 106 -0.602 -1.649 -8.899 1.00999.00 ATOM 801 CA ILE 106 0.769 -1.310 -9.208 1.00999.00 ATOM 802 CB ILE 106 1.279 -0.173 -8.303 1.00999.00 ATOM 803 CG1 ILE 106 0.597 1.139 -8.679 1.00999.00 ATOM 804 CG2 ILE 106 2.841 -0.008 -8.385 1.00999.00 ATOM 805 CD1 ILE 106 0.738 2.263 -7.603 1.00999.00 ATOM 806 O ILE 106 1.503 -3.230 -7.959 1.00999.00 ATOM 807 C ILE 106 1.653 -2.531 -8.952 1.00999.00 ATOM 808 N LEU 107 2.570 -2.799 -9.862 1.00999.00 ATOM 809 CA LEU 107 3.536 -3.838 -9.601 1.00999.00 ATOM 810 CB LEU 107 3.583 -4.831 -10.765 1.00999.00 ATOM 811 CG LEU 107 2.272 -5.545 -11.099 1.00999.00 ATOM 812 CD1 LEU 107 2.434 -6.416 -12.334 1.00999.00 ATOM 813 CD2 LEU 107 1.798 -6.381 -9.920 1.00999.00 ATOM 814 O LEU 107 5.091 -1.988 -9.580 1.00999.00 ATOM 815 C LEU 107 4.905 -3.208 -9.405 1.00999.00 ATOM 816 N THR 108 5.867 -4.049 -9.054 1.00999.00 ATOM 817 CA THR 108 7.236 -3.590 -8.822 1.00999.00 ATOM 818 CB THR 108 8.167 -4.758 -8.448 1.00999.00 ATOM 819 CG2 THR 108 7.674 -5.449 -7.185 1.00999.00 ATOM 820 OG1 THR 108 8.190 -5.715 -9.515 1.00999.00 ATOM 821 O THR 108 8.559 -1.903 -9.908 1.00999.00 ATOM 822 C THR 108 7.794 -2.856 -10.045 1.00999.00 ATOM 823 N TYR 109 7.464 -3.312 -11.326 1.00999.00 ATOM 824 CA TYR 109 7.899 -2.692 -12.579 1.00999.00 ATOM 825 CB TYR 109 7.562 -3.594 -13.769 1.00999.00 ATOM 826 CG TYR 109 8.398 -4.852 -13.840 1.00999.00 ATOM 827 CD1 TYR 109 7.886 -6.072 -13.419 1.00999.00 ATOM 828 CD2 TYR 109 9.698 -4.814 -14.330 1.00999.00 ATOM 829 CE1 TYR 109 8.643 -7.226 -13.482 1.00999.00 ATOM 830 CE2 TYR 109 10.470 -5.958 -14.400 1.00999.00 ATOM 831 CZ TYR 109 9.930 -7.170 -13.970 1.00999.00 ATOM 832 OH TYR 109 10.686 -8.318 -14.033 1.00999.00 ATOM 833 O TYR 109 7.970 -0.471 -13.448 1.00999.00 ATOM 834 C TYR 109 7.366 -1.265 -12.740 1.00999.00 ATOM 835 N SER 110 6.239 -0.942 -12.024 1.00999.00 ATOM 836 CA SER 110 5.638 0.393 -12.063 1.00999.00 ATOM 837 CB SER 110 4.149 0.301 -11.721 1.00999.00 ATOM 838 OG SER 110 3.464 -0.527 -12.644 1.00999.00 ATOM 839 O SER 110 5.955 2.629 -11.252 1.00999.00 ATOM 840 C SER 110 6.315 1.452 -11.199 1.00999.00 ATOM 841 N PHE 111 7.294 1.033 -10.405 1.00999.00 ATOM 842 CA PHE 111 8.012 1.960 -9.539 1.00999.00 ATOM 843 CB PHE 111 7.665 1.783 -8.060 1.00999.00 ATOM 844 CG PHE 111 8.054 0.445 -7.501 1.00999.00 ATOM 845 CD1 PHE 111 9.384 0.128 -7.286 1.00999.00 ATOM 846 CD2 PHE 111 7.089 -0.497 -7.188 1.00999.00 ATOM 847 CE1 PHE 111 9.742 -1.104 -6.772 1.00999.00 ATOM 848 CE2 PHE 111 7.448 -1.728 -6.674 1.00999.00 ATOM 849 CZ PHE 111 8.767 -2.035 -6.466 1.00999.00 ATOM 850 O PHE 111 9.841 0.772 -10.440 1.00999.00 ATOM 851 C PHE 111 9.468 1.756 -9.794 1.00999.00 ATOM 852 N THR 112 10.290 2.704 -9.377 1.00999.00 ATOM 853 CA THR 112 11.734 2.608 -9.524 1.00999.00 ATOM 854 CB THR 112 12.281 3.918 -10.122 1.00999.00 ATOM 855 CG2 THR 112 13.785 3.823 -10.325 1.00999.00 ATOM 856 OG1 THR 112 11.661 4.163 -11.390 1.00999.00 ATOM 857 O THR 112 12.303 3.192 -7.293 1.00999.00 ATOM 858 C THR 112 12.309 2.332 -8.174 1.00999.00 ATOM 859 N GLU 113 12.818 1.117 -7.994 1.00999.00 ATOM 860 CA GLU 113 13.412 0.729 -6.721 1.00999.00 ATOM 861 CB GLU 113 13.576 -0.788 -6.602 1.00999.00 ATOM 862 CG GLU 113 14.061 -1.255 -5.240 1.00999.00 ATOM 863 CD GLU 113 14.157 -2.764 -5.141 1.00999.00 ATOM 864 OE1 GLU 113 13.889 -3.444 -6.155 1.00999.00 ATOM 865 OE2 GLU 113 14.500 -3.269 -4.052 1.00999.00 ATOM 866 O GLU 113 15.557 1.537 -7.408 1.00999.00 ATOM 867 C GLU 113 14.752 1.410 -6.490 1.00999.00 ATOM 868 N TYR 114 14.959 1.897 -5.280 1.00999.00 ATOM 869 CA TYR 114 16.277 2.281 -4.835 1.00999.00 ATOM 870 CB TYR 114 16.388 3.552 -4.313 1.00999.00 ATOM 871 CG TYR 114 16.883 4.247 -5.566 1.00999.00 ATOM 872 CD1 TYR 114 18.054 3.837 -6.161 1.00999.00 ATOM 873 CD2 TYR 114 16.139 5.261 -6.188 1.00999.00 ATOM 874 CE1 TYR 114 18.523 4.435 -7.308 1.00999.00 ATOM 875 CE2 TYR 114 16.581 5.840 -7.363 1.00999.00 ATOM 876 CZ TYR 114 17.752 5.416 -7.909 1.00999.00 ATOM 877 OH TYR 114 18.230 5.977 -9.104 1.00999.00 ATOM 878 O TYR 114 16.167 1.306 -2.611 1.00999.00 ATOM 879 C TYR 114 16.662 1.273 -3.748 1.00999.00 ATOM 880 N LYS 115 17.521 0.345 -4.138 1.00999.00 ATOM 881 CA LYS 115 17.871 -0.778 -3.310 1.00999.00 ATOM 882 CB LYS 115 18.406 -1.928 -4.165 1.00999.00 ATOM 883 CG LYS 115 17.378 -2.533 -5.107 1.00999.00 ATOM 884 CD LYS 115 17.980 -3.658 -5.933 1.00999.00 ATOM 885 CE LYS 115 16.951 -4.267 -6.871 1.00999.00 ATOM 886 NZ LYS 115 17.524 -5.377 -7.681 1.00999.00 ATOM 887 O LYS 115 20.050 -0.150 -2.636 1.00999.00 ATOM 888 C LYS 115 18.876 -0.306 -2.315 1.00999.00 ATOM 889 N THR 116 18.420 -0.075 -1.097 1.00999.00 ATOM 890 CA THR 116 19.260 0.567 -0.118 1.00999.00 ATOM 891 CB THR 116 19.134 2.125 -0.121 1.00999.00 ATOM 892 CG2 THR 116 19.193 2.717 -1.518 1.00999.00 ATOM 893 OG1 THR 116 17.833 2.438 0.396 1.00999.00 ATOM 894 O THR 116 17.864 -0.254 1.671 1.00999.00 ATOM 895 C THR 116 19.007 0.006 1.274 1.00999.00 ATOM 896 N ASN 117 20.153 -0.206 2.097 1.00999.00 ATOM 897 CA ASN 117 20.020 -0.702 3.453 1.00999.00 ATOM 898 CB ASN 117 21.399 -0.996 4.045 1.00999.00 ATOM 899 CG ASN 117 22.036 -2.237 3.452 1.00999.00 ATOM 900 ND2 ASN 117 23.355 -2.338 3.572 1.00999.00 ATOM 901 OD1 ASN 117 21.350 -3.092 2.893 1.00999.00 ATOM 902 O ASN 117 19.041 1.488 3.700 1.00999.00 ATOM 903 C ASN 117 19.283 0.398 4.220 1.00999.00 ATOM 904 N GLN 118 18.742 0.187 5.379 1.00999.00 ATOM 905 CA GLN 118 17.961 1.133 6.130 1.00999.00 ATOM 906 CB GLN 118 17.524 0.534 7.469 1.00999.00 ATOM 907 CG GLN 118 16.486 -0.570 7.345 1.00999.00 ATOM 908 CD GLN 118 16.163 -1.216 8.678 1.00999.00 ATOM 909 OE1 GLN 118 16.910 -1.073 9.645 1.00999.00 ATOM 910 NE2 GLN 118 15.045 -1.932 8.731 1.00999.00 ATOM 911 O GLN 118 18.211 3.513 6.162 1.00999.00 ATOM 912 C GLN 118 18.748 2.431 6.365 1.00999.00 ATOM 913 N PRO 119 20.082 2.320 6.808 1.00999.00 ATOM 914 CA PRO 119 20.880 3.527 7.072 1.00999.00 ATOM 915 CB PRO 119 22.201 2.984 7.619 1.00999.00 ATOM 916 CG PRO 119 21.840 1.677 8.243 1.00999.00 ATOM 917 CD PRO 119 20.789 1.070 7.355 1.00999.00 ATOM 918 O PRO 119 21.028 5.560 5.807 1.00999.00 ATOM 919 C PRO 119 21.100 4.330 5.795 1.00999.00 ATOM 920 N VAL 120 21.364 3.633 4.697 1.00999.00 ATOM 921 CA VAL 120 21.582 4.290 3.441 1.00999.00 ATOM 922 CB VAL 120 22.145 3.328 2.378 1.00999.00 ATOM 923 CG1 VAL 120 22.233 4.019 1.026 1.00999.00 ATOM 924 CG2 VAL 120 23.507 2.804 2.804 1.00999.00 ATOM 925 O VAL 120 20.310 6.121 2.535 1.00999.00 ATOM 926 C VAL 120 20.308 4.953 2.943 1.00999.00 ATOM 927 N ALA 121 19.208 4.227 2.994 1.00999.00 ATOM 928 CA ALA 121 17.924 4.790 2.621 1.00999.00 ATOM 929 CB ALA 121 16.829 3.743 2.755 1.00999.00 ATOM 930 O ALA 121 16.972 6.960 2.934 1.00999.00 ATOM 931 C ALA 121 17.600 6.014 3.444 1.00999.00 ATOM 932 N THR 122 17.976 5.984 4.725 1.00999.00 ATOM 933 CA THR 122 17.726 7.095 5.640 1.00999.00 ATOM 934 CB THR 122 18.119 6.770 7.092 1.00999.00 ATOM 935 CG2 THR 122 17.874 7.973 7.991 1.00999.00 ATOM 936 OG1 THR 122 17.329 5.674 7.570 1.00999.00 ATOM 937 O THR 122 17.934 9.439 5.172 1.00999.00 ATOM 938 C THR 122 18.479 8.334 5.168 1.00999.00 ATOM 939 N GLU 123 19.731 8.150 4.761 1.00999.00 ATOM 940 CA GLU 123 20.546 9.267 4.286 1.00999.00 ATOM 941 CB GLU 123 22.006 8.841 4.115 1.00999.00 ATOM 942 CG GLU 123 22.724 8.551 5.423 1.00999.00 ATOM 943 CD GLU 123 24.148 8.075 5.213 1.00999.00 ATOM 944 OE1 GLU 123 24.513 7.788 4.053 1.00999.00 ATOM 945 OE2 GLU 123 24.898 7.989 6.207 1.00999.00 ATOM 946 O GLU 123 19.889 11.049 2.819 1.00999.00 ATOM 947 C GLU 123 19.976 9.832 2.989 1.00999.00 ATOM 948 N ARG 124 19.587 8.947 2.077 1.00999.00 ATOM 949 CA ARG 124 19.024 9.374 0.803 1.00999.00 ATOM 950 CB ARG 124 18.807 8.163 -0.106 1.00999.00 ATOM 951 CG ARG 124 20.090 7.479 -0.548 1.00999.00 ATOM 952 CD ARG 124 20.909 8.378 -1.460 1.00999.00 ATOM 953 NE ARG 124 22.095 7.699 -1.977 1.00999.00 ATOM 954 CZ ARG 124 23.293 7.752 -1.407 1.00999.00 ATOM 955 NH1 ARG 124 24.314 7.102 -1.948 1.00999.00 ATOM 956 NH2 ARG 124 23.469 8.454 -0.295 1.00999.00 ATOM 957 O ARG 124 17.378 11.115 0.411 1.00999.00 ATOM 958 C ARG 124 17.666 10.105 1.056 1.00999.00 ATOM 959 N PHE 125 16.864 9.588 1.981 1.00999.00 ATOM 960 CA PHE 125 15.577 10.197 2.292 1.00999.00 ATOM 961 CB PHE 125 14.834 9.311 3.293 1.00999.00 ATOM 962 CG PHE 125 13.512 9.870 3.734 1.00999.00 ATOM 963 CD1 PHE 125 12.392 9.760 2.928 1.00999.00 ATOM 964 CD2 PHE 125 13.388 10.507 4.956 1.00999.00 ATOM 965 CE1 PHE 125 11.176 10.275 3.334 1.00999.00 ATOM 966 CE2 PHE 125 12.172 11.023 5.362 1.00999.00 ATOM 967 CZ PHE 125 11.069 10.909 4.557 1.00999.00 ATOM 968 O PHE 125 15.201 12.595 2.406 1.00999.00 ATOM 969 C PHE 125 15.815 11.624 2.861 1.00999.00 ATOM 970 N ASP 126 16.735 11.742 3.818 1.00999.00 ATOM 971 CA ASP 126 17.165 13.046 4.359 1.00999.00 ATOM 972 CB ASP 126 18.243 12.854 5.429 1.00999.00 ATOM 973 CG ASP 126 17.688 12.275 6.715 1.00999.00 ATOM 974 OD1 ASP 126 16.450 12.274 6.881 1.00999.00 ATOM 975 OD2 ASP 126 18.492 11.822 7.557 1.00999.00 ATOM 976 O ASP 126 17.489 15.189 3.327 1.00999.00 ATOM 977 C ASP 126 17.701 13.976 3.275 1.00999.00 ATOM 978 N ALA 127 18.396 13.408 2.295 1.00999.00 ATOM 979 CA ALA 127 18.971 14.213 1.174 1.00999.00 ATOM 980 CB ALA 127 20.154 13.468 0.575 1.00999.00 ATOM 981 O ALA 127 18.279 15.354 -0.822 1.00999.00 ATOM 982 C ALA 127 17.964 14.585 0.090 1.00999.00 ATOM 983 N GLY 128 16.733 14.028 0.155 1.00999.00 ATOM 984 CA GLY 128 15.713 14.323 -0.833 1.00999.00 ATOM 985 O GLY 128 15.232 13.927 -3.150 1.00999.00 ATOM 986 C GLY 128 15.801 13.530 -2.132 1.00999.00 ATOM 987 N SER 129 16.511 12.407 -2.096 1.00999.00 ATOM 988 CA SER 129 16.657 11.576 -3.272 1.00999.00 ATOM 989 CB SER 129 18.022 10.885 -3.277 1.00999.00 ATOM 990 OG SER 129 18.124 9.950 -2.216 1.00999.00 ATOM 991 O SER 129 15.700 9.693 -4.395 1.00999.00 ATOM 992 C SER 129 15.646 10.457 -3.432 1.00999.00 ATOM 993 N CYS 130 14.718 10.359 -2.485 1.00999.00 ATOM 994 CA CYS 130 13.693 9.324 -2.537 1.00999.00 ATOM 995 CB CYS 130 13.877 8.234 -1.480 1.00999.00 ATOM 996 SG CYS 130 13.704 8.810 0.226 1.00999.00 ATOM 997 O CYS 130 12.045 10.590 -1.338 1.00999.00 ATOM 998 C CYS 130 12.299 9.896 -2.325 1.00999.00 ATOM 999 N ARG 131 11.367 9.429 -3.153 1.00999.00 ATOM 1000 CA ARG 131 9.995 9.889 -3.056 1.00999.00 ATOM 1001 CB ARG 131 9.305 9.699 -4.409 1.00999.00 ATOM 1002 CG ARG 131 9.882 10.553 -5.526 1.00999.00 ATOM 1003 CD ARG 131 9.157 10.312 -6.839 1.00999.00 ATOM 1004 NE ARG 131 9.712 11.112 -7.927 1.00999.00 ATOM 1005 CZ ARG 131 9.300 11.045 -9.189 1.00999.00 ATOM 1006 NH1 ARG 131 9.864 11.812 -10.111 1.00999.00 ATOM 1007 NH2 ARG 131 8.324 10.213 -9.525 1.00999.00 ATOM 1008 O ARG 131 8.573 9.832 -1.142 1.00999.00 ATOM 1009 C ARG 131 9.330 9.206 -1.904 1.00999.00 ATOM 1010 N ILE 132 9.586 7.906 -1.780 1.00999.00 ATOM 1011 CA ILE 132 9.021 7.123 -0.673 1.00999.00 ATOM 1012 CB ILE 132 7.741 6.423 -1.169 1.00999.00 ATOM 1013 CG1 ILE 132 8.067 5.471 -2.322 1.00999.00 ATOM 1014 CG2 ILE 132 6.690 7.450 -1.560 1.00999.00 ATOM 1015 CD1 ILE 132 6.904 4.597 -2.738 1.00999.00 ATOM 1016 O ILE 132 11.037 5.876 -0.852 1.00999.00 ATOM 1017 C ILE 132 10.033 6.136 -0.187 1.00999.00 ATOM 1018 N GLN 133 9.779 5.567 0.986 1.00999.00 ATOM 1019 CA GLN 133 10.689 4.586 1.564 1.00999.00 ATOM 1020 CB GLN 133 11.670 5.285 2.508 1.00999.00 ATOM 1021 CG GLN 133 12.745 4.372 3.073 1.00999.00 ATOM 1022 CD GLN 133 13.725 5.107 3.965 1.00999.00 ATOM 1023 OE1 GLN 133 13.859 6.329 3.880 1.00999.00 ATOM 1024 NE2 GLN 133 14.415 4.366 4.824 1.00999.00 ATOM 1025 O GLN 133 8.930 3.822 3.016 1.00999.00 ATOM 1026 C GLN 133 9.816 3.497 2.201 1.00999.00 ATOM 1027 N GLY 134 10.070 2.274 1.800 1.00999.00 ATOM 1028 CA GLY 134 9.484 1.166 2.565 1.00999.00 ATOM 1029 O GLY 134 11.584 0.172 3.199 1.00999.00 ATOM 1030 C GLY 134 10.488 0.650 3.558 1.00999.00 ATOM 1031 N LYS 135 10.121 0.795 4.828 1.00999.00 ATOM 1032 CA LYS 135 11.030 0.508 5.935 1.00999.00 ATOM 1033 CB LYS 135 11.896 1.730 6.247 1.00999.00 ATOM 1034 CG LYS 135 11.110 2.946 6.709 1.00999.00 ATOM 1035 CD LYS 135 12.027 4.132 6.965 1.00999.00 ATOM 1036 CE LYS 135 11.244 5.339 7.455 1.00999.00 ATOM 1037 NZ LYS 135 12.132 6.505 7.719 1.00999.00 ATOM 1038 O LYS 135 9.029 0.156 7.201 1.00999.00 ATOM 1039 C LYS 135 10.229 0.078 7.177 1.00999.00 ATOM 1040 N LYS 136 10.897 -0.313 8.227 1.00999.00 ATOM 1041 CA LYS 136 10.186 -0.787 9.374 1.00999.00 ATOM 1042 CB LYS 136 10.882 -2.003 9.959 1.00999.00 ATOM 1043 CG LYS 136 10.166 -2.577 11.172 1.00999.00 ATOM 1044 CD LYS 136 10.888 -3.786 11.755 1.00999.00 ATOM 1045 CE LYS 136 11.001 -4.930 10.753 1.00999.00 ATOM 1046 NZ LYS 136 11.486 -6.179 11.412 1.00999.00 ATOM 1047 O LYS 136 11.529 0.908 10.430 1.00999.00 ATOM 1048 C LYS 136 10.710 0.000 10.575 1.00999.00 TER END