PFRMAT TS TARGET T0408 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 T0408 model 3 Mon May 19 11:45:28 2008 MODEL 3 PARENT N/A ATOM 2 N ASN 3 13.443 22.367 10.259 1.00 0.00 ATOM 3 CA ASN 3 14.063 22.884 9.048 1.00 0.00 ATOM 4 CB ASN 3 14.260 21.762 8.026 1.00 0.00 ATOM 5 CG ASN 3 15.376 20.810 8.412 1.00 0.00 ATOM 6 ND2 ASN 3 15.362 19.618 7.828 1.00 0.00 ATOM 7 OD1 ASN 3 16.237 21.147 9.225 1.00 0.00 ATOM 8 O ASN 3 13.567 25.064 8.164 1.00 0.00 ATOM 9 C ASN 3 13.137 23.953 8.474 1.00 0.00 ATOM 10 N GLU 4 11.862 23.598 8.331 1.00 0.00 ATOM 11 CA GLU 4 10.855 24.518 7.815 1.00 0.00 ATOM 12 CB GLU 4 9.462 23.892 7.906 1.00 0.00 ATOM 13 CG GLU 4 9.215 22.776 6.904 1.00 0.00 ATOM 14 CD GLU 4 7.856 22.130 7.075 1.00 0.00 ATOM 15 OE1 GLU 4 7.137 22.500 8.026 1.00 0.00 ATOM 16 OE2 GLU 4 7.508 21.252 6.257 1.00 0.00 ATOM 17 O GLU 4 10.859 26.905 8.117 1.00 0.00 ATOM 18 C GLU 4 10.894 25.795 8.647 1.00 0.00 ATOM 19 N VAL 5 10.974 25.607 9.958 1.00 0.00 ATOM 20 CA VAL 5 11.016 26.694 10.929 1.00 0.00 ATOM 21 CB VAL 5 11.445 26.192 12.319 1.00 0.00 ATOM 22 CG1 VAL 5 11.688 27.365 13.259 1.00 0.00 ATOM 23 CG2 VAL 5 10.365 25.309 12.924 1.00 0.00 ATOM 24 O VAL 5 11.716 28.992 10.805 1.00 0.00 ATOM 25 C VAL 5 11.992 27.817 10.565 1.00 0.00 ATOM 26 N PHE 6 13.128 27.448 9.984 1.00 0.00 ATOM 27 CA PHE 6 14.157 28.410 9.587 1.00 0.00 ATOM 28 CB PHE 6 15.366 27.686 8.991 1.00 0.00 ATOM 29 CG PHE 6 16.245 27.028 10.017 1.00 0.00 ATOM 30 CD1 PHE 6 16.189 25.661 10.224 1.00 0.00 ATOM 31 CD2 PHE 6 17.128 27.777 10.776 1.00 0.00 ATOM 32 CE1 PHE 6 16.997 25.056 11.167 1.00 0.00 ATOM 33 CE2 PHE 6 17.935 27.172 11.721 1.00 0.00 ATOM 34 CZ PHE 6 17.873 25.818 11.918 1.00 0.00 ATOM 35 O PHE 6 14.213 30.514 8.429 1.00 0.00 ATOM 36 C PHE 6 13.681 29.410 8.539 1.00 0.00 ATOM 37 N PHE 7 12.684 29.014 7.760 1.00 0.00 ATOM 38 CA PHE 7 12.162 29.875 6.713 1.00 0.00 ATOM 39 CB PHE 7 12.625 29.389 5.339 1.00 0.00 ATOM 40 CG PHE 7 14.116 29.396 5.163 1.00 0.00 ATOM 41 CD1 PHE 7 14.864 28.261 5.423 1.00 0.00 ATOM 42 CD2 PHE 7 14.771 30.538 4.739 1.00 0.00 ATOM 43 CE1 PHE 7 16.237 28.269 5.262 1.00 0.00 ATOM 44 CE2 PHE 7 16.145 30.546 4.578 1.00 0.00 ATOM 45 CZ PHE 7 16.877 29.417 4.837 1.00 0.00 ATOM 46 O PHE 7 10.004 28.971 6.201 1.00 0.00 ATOM 47 C PHE 7 10.637 29.875 6.739 1.00 0.00 ATOM 48 N GLY 8 10.031 30.899 7.361 1.00 0.00 ATOM 49 CA GLY 8 8.573 31.036 7.471 1.00 0.00 ATOM 50 O GLY 8 6.908 30.235 5.919 1.00 0.00 ATOM 51 C GLY 8 7.814 31.045 6.136 1.00 0.00 ATOM 52 N GLU 9 8.187 31.964 5.250 1.00 0.00 ATOM 53 CA GLU 9 7.536 32.096 3.949 1.00 0.00 ATOM 54 CB GLU 9 8.199 33.204 3.128 1.00 0.00 ATOM 55 CG GLU 9 7.562 33.434 1.767 1.00 0.00 ATOM 56 CD GLU 9 8.275 34.503 0.964 1.00 0.00 ATOM 57 OE1 GLU 9 9.258 35.077 1.479 1.00 0.00 ATOM 58 OE2 GLU 9 7.851 34.768 -0.181 1.00 0.00 ATOM 59 O GLU 9 6.542 30.319 2.668 1.00 0.00 ATOM 60 C GLU 9 7.582 30.835 3.081 1.00 0.00 ATOM 61 N GLY 10 8.780 30.332 2.803 1.00 0.00 ATOM 62 CA GLY 10 8.902 29.149 1.959 1.00 0.00 ATOM 63 O GLY 10 7.654 27.107 1.864 1.00 0.00 ATOM 64 C GLY 10 8.232 27.928 2.580 1.00 0.00 ATOM 65 N MET 11 8.306 27.811 3.905 1.00 0.00 ATOM 66 CA MET 11 7.691 26.684 4.597 1.00 0.00 ATOM 67 CB MET 11 8.012 26.732 6.092 1.00 0.00 ATOM 68 CG MET 11 7.429 25.576 6.889 1.00 0.00 ATOM 69 SD MET 11 7.818 25.680 8.647 1.00 0.00 ATOM 70 CE MET 11 6.744 27.020 9.154 1.00 0.00 ATOM 71 O MET 11 5.534 25.700 4.252 1.00 0.00 ATOM 72 C MET 11 6.184 26.731 4.418 1.00 0.00 ATOM 73 N LYS 12 5.627 27.936 4.455 1.00 0.00 ATOM 74 CA LYS 12 4.191 28.094 4.286 1.00 0.00 ATOM 75 CB LYS 12 3.771 29.530 4.601 1.00 0.00 ATOM 76 CG LYS 12 2.274 29.776 4.497 1.00 0.00 ATOM 77 CD LYS 12 1.917 31.196 4.904 1.00 0.00 ATOM 78 CE LYS 12 0.425 31.452 4.767 1.00 0.00 ATOM 79 NZ LYS 12 0.069 32.856 5.110 1.00 0.00 ATOM 80 O LYS 12 2.842 27.038 2.592 1.00 0.00 ATOM 81 C LYS 12 3.809 27.769 2.840 1.00 0.00 ATOM 82 N VAL 13 4.571 28.303 1.889 1.00 0.00 ATOM 83 CA VAL 13 4.296 28.044 0.484 1.00 0.00 ATOM 84 CB VAL 13 5.312 28.753 -0.431 1.00 0.00 ATOM 85 CG1 VAL 13 5.129 28.310 -1.875 1.00 0.00 ATOM 86 CG2 VAL 13 5.126 30.261 -0.364 1.00 0.00 ATOM 87 O VAL 13 3.508 25.948 -0.396 1.00 0.00 ATOM 88 C VAL 13 4.379 26.538 0.241 1.00 0.00 ATOM 89 N VAL 14 5.426 25.914 0.766 1.00 0.00 ATOM 90 CA VAL 14 5.593 24.481 0.591 1.00 0.00 ATOM 91 CB VAL 14 6.859 23.969 1.306 1.00 0.00 ATOM 92 CG1 VAL 14 6.907 22.449 1.279 1.00 0.00 ATOM 93 CG2 VAL 14 8.108 24.502 0.622 1.00 0.00 ATOM 94 O VAL 14 3.931 22.749 0.537 1.00 0.00 ATOM 95 C VAL 14 4.412 23.702 1.153 1.00 0.00 ATOM 96 N LYS 15 3.958 24.102 2.337 1.00 0.00 ATOM 97 CA LYS 15 2.828 23.454 2.987 1.00 0.00 ATOM 98 CB LYS 15 2.494 24.154 4.306 1.00 0.00 ATOM 99 CG LYS 15 3.528 23.941 5.400 1.00 0.00 ATOM 100 CD LYS 15 3.134 24.660 6.680 1.00 0.00 ATOM 101 CE LYS 15 4.179 24.468 7.767 1.00 0.00 ATOM 102 NZ LYS 15 3.823 25.195 9.016 1.00 0.00 ATOM 103 O LYS 15 0.871 22.563 1.893 1.00 0.00 ATOM 104 C LYS 15 1.616 23.529 2.052 1.00 0.00 ATOM 105 N GLU 16 1.436 24.690 1.430 1.00 0.00 ATOM 106 CA GLU 16 0.326 24.915 0.510 1.00 0.00 ATOM 107 CB GLU 16 0.276 26.382 0.081 1.00 0.00 ATOM 108 CG GLU 16 -0.143 27.339 1.186 1.00 0.00 ATOM 109 CD GLU 16 -0.064 28.792 0.761 1.00 0.00 ATOM 110 OE1 GLU 16 0.390 29.055 -0.374 1.00 0.00 ATOM 111 OE2 GLU 16 -0.452 29.668 1.562 1.00 0.00 ATOM 112 O GLU 16 -0.512 23.486 -1.225 1.00 0.00 ATOM 113 C GLU 16 0.466 24.062 -0.744 1.00 0.00 ATOM 114 N LYS 17 1.681 23.987 -1.277 1.00 0.00 ATOM 115 CA LYS 17 1.928 23.174 -2.456 1.00 0.00 ATOM 116 CB LYS 17 3.386 23.302 -2.900 1.00 0.00 ATOM 117 CG LYS 17 3.740 24.658 -3.490 1.00 0.00 ATOM 118 CD LYS 17 5.199 24.714 -3.909 1.00 0.00 ATOM 119 CE LYS 17 5.559 26.078 -4.475 1.00 0.00 ATOM 120 NZ LYS 17 6.995 26.157 -4.861 1.00 0.00 ATOM 121 O LYS 17 1.098 20.986 -2.984 1.00 0.00 ATOM 122 C LYS 17 1.636 21.707 -2.150 1.00 0.00 ATOM 123 N ASN 29 2.002 21.271 -0.952 1.00 0.00 ATOM 124 CA ASN 29 1.765 19.893 -0.548 1.00 0.00 ATOM 125 CB ASN 29 2.441 19.606 0.796 1.00 0.00 ATOM 126 CG ASN 29 3.949 19.512 0.680 1.00 0.00 ATOM 127 ND2 ASN 29 4.639 19.692 1.801 1.00 0.00 ATOM 128 OD1 ASN 29 4.486 19.279 -0.404 1.00 0.00 ATOM 129 O ASN 29 -0.209 18.582 -0.860 1.00 0.00 ATOM 130 C ASN 29 0.278 19.604 -0.395 1.00 0.00 ATOM 131 N ASP 30 -0.443 20.505 0.253 1.00 0.00 ATOM 132 CA ASP 30 -1.870 20.312 0.452 1.00 0.00 ATOM 133 CB ASP 30 -2.436 21.403 1.362 1.00 0.00 ATOM 134 CG ASP 30 -2.031 21.222 2.810 1.00 0.00 ATOM 135 OD1 ASP 30 -1.523 20.134 3.154 1.00 0.00 ATOM 136 OD2 ASP 30 -2.219 22.169 3.605 1.00 0.00 ATOM 137 O ASP 30 -3.607 19.670 -1.074 1.00 0.00 ATOM 138 C ASP 30 -2.614 20.367 -0.880 1.00 0.00 ATOM 139 N THR 31 -2.129 21.196 -1.797 1.00 0.00 ATOM 140 CA THR 31 -2.751 21.330 -3.108 1.00 0.00 ATOM 141 CB THR 31 -2.036 22.389 -3.967 1.00 0.00 ATOM 142 CG2 THR 31 -2.677 22.479 -5.344 1.00 0.00 ATOM 143 OG1 THR 31 -2.129 23.668 -3.327 1.00 0.00 ATOM 144 O THR 31 -3.723 19.563 -4.393 1.00 0.00 ATOM 145 C THR 31 -2.708 20.017 -3.870 1.00 0.00 ATOM 146 N VAL 32 -1.537 19.398 -3.942 1.00 0.00 ATOM 147 CA VAL 32 -1.440 18.145 -4.673 1.00 0.00 ATOM 148 CB VAL 32 0.026 17.723 -4.876 1.00 0.00 ATOM 149 CG1 VAL 32 0.101 16.328 -5.478 1.00 0.00 ATOM 150 CG2 VAL 32 0.735 18.689 -5.813 1.00 0.00 ATOM 151 O VAL 32 -2.648 16.067 -4.510 1.00 0.00 ATOM 152 C VAL 32 -2.150 17.028 -3.913 1.00 0.00 ATOM 153 N PHE 33 -2.210 17.174 -2.596 1.00 0.00 ATOM 154 CA PHE 33 -2.842 16.185 -1.738 1.00 0.00 ATOM 155 CB PHE 33 -2.420 16.393 -0.282 1.00 0.00 ATOM 156 CG PHE 33 -2.979 15.367 0.663 1.00 0.00 ATOM 157 CD1 PHE 33 -2.418 14.105 0.748 1.00 0.00 ATOM 158 CD2 PHE 33 -4.066 15.665 1.466 1.00 0.00 ATOM 159 CE1 PHE 33 -2.933 13.161 1.618 1.00 0.00 ATOM 160 CE2 PHE 33 -4.581 14.722 2.335 1.00 0.00 ATOM 161 CZ PHE 33 -4.020 13.476 2.413 1.00 0.00 ATOM 162 O PHE 33 -5.075 15.291 -1.767 1.00 0.00 ATOM 163 C PHE 33 -4.368 16.297 -1.817 1.00 0.00 ATOM 164 N THR 34 -4.865 17.523 -1.951 1.00 0.00 ATOM 165 CA THR 34 -6.305 17.774 -2.033 1.00 0.00 ATOM 166 CB THR 34 -6.691 19.085 -1.322 1.00 0.00 ATOM 167 CG2 THR 34 -6.418 18.982 0.171 1.00 0.00 ATOM 168 OG1 THR 34 -5.924 20.169 -1.861 1.00 0.00 ATOM 169 O THR 34 -7.789 18.553 -3.742 1.00 0.00 ATOM 170 C THR 34 -6.789 17.891 -3.471 1.00 0.00 ATOM 171 N GLY 35 -6.080 17.261 -4.398 1.00 0.00 ATOM 172 CA GLY 35 -6.480 17.315 -5.796 1.00 0.00 ATOM 173 O GLY 35 -7.671 15.253 -5.421 1.00 0.00 ATOM 174 C GLY 35 -7.650 16.346 -5.996 1.00 0.00 ATOM 175 N LYS 36 -8.622 16.749 -6.811 1.00 0.00 ATOM 176 CA LYS 36 -9.794 15.921 -7.028 1.00 0.00 ATOM 177 CB LYS 36 -11.033 16.791 -7.244 1.00 0.00 ATOM 178 CG LYS 36 -11.429 17.621 -6.033 1.00 0.00 ATOM 179 CD LYS 36 -12.660 18.464 -6.319 1.00 0.00 ATOM 180 CE LYS 36 -13.023 19.334 -5.127 1.00 0.00 ATOM 181 NZ LYS 36 -14.245 20.146 -5.383 1.00 0.00 ATOM 182 O LYS 36 -10.807 14.215 -8.328 1.00 0.00 ATOM 183 C LYS 36 -9.838 14.957 -8.196 1.00 0.00 ATOM 184 N THR 37 -8.818 14.946 -9.046 1.00 0.00 ATOM 185 CA THR 37 -8.822 14.031 -10.181 1.00 0.00 ATOM 186 CB THR 37 -7.758 14.421 -11.224 1.00 0.00 ATOM 187 CG2 THR 37 -8.023 15.822 -11.755 1.00 0.00 ATOM 188 OG1 THR 37 -6.459 14.392 -10.621 1.00 0.00 ATOM 189 O THR 37 -8.961 11.656 -10.423 1.00 0.00 ATOM 190 C THR 37 -8.529 12.593 -9.767 1.00 0.00 ATOM 191 N LEU 38 -7.788 12.423 -8.678 1.00 0.00 ATOM 192 CA LEU 38 -7.443 11.091 -8.197 1.00 0.00 ATOM 193 CB LEU 38 -5.925 10.916 -8.149 1.00 0.00 ATOM 194 CG LEU 38 -5.183 11.063 -9.478 1.00 0.00 ATOM 195 CD1 LEU 38 -3.679 10.995 -9.267 1.00 0.00 ATOM 196 CD2 LEU 38 -5.577 9.953 -10.440 1.00 0.00 ATOM 197 O LEU 38 -7.961 11.759 -5.955 1.00 0.00 ATOM 198 C LEU 38 -7.992 10.860 -6.796 1.00 0.00 ATOM 199 N ASP 39 -8.484 9.650 -6.547 1.00 0.00 ATOM 200 CA ASP 39 -9.029 9.300 -5.238 1.00 0.00 ATOM 201 CB ASP 39 -9.620 7.888 -5.264 1.00 0.00 ATOM 202 CG ASP 39 -10.948 7.826 -5.991 1.00 0.00 ATOM 203 OD1 ASP 39 -11.477 8.897 -6.354 1.00 0.00 ATOM 204 OD2 ASP 39 -11.460 6.705 -6.198 1.00 0.00 ATOM 205 O ASP 39 -6.746 9.444 -4.507 1.00 0.00 ATOM 206 C ASP 39 -7.931 9.347 -4.179 1.00 0.00 ATOM 207 N TYR 40 -8.332 9.273 -2.911 1.00 0.00 ATOM 208 CA TYR 40 -7.392 9.291 -1.791 1.00 0.00 ATOM 209 CB TYR 40 -8.147 9.306 -0.461 1.00 0.00 ATOM 210 CG TYR 40 -8.777 10.640 -0.128 1.00 0.00 ATOM 211 CD1 TYR 40 -10.146 10.831 -0.251 1.00 0.00 ATOM 212 CD2 TYR 40 -7.998 11.705 0.308 1.00 0.00 ATOM 213 CE1 TYR 40 -10.731 12.046 0.051 1.00 0.00 ATOM 214 CE2 TYR 40 -8.564 12.929 0.614 1.00 0.00 ATOM 215 CZ TYR 40 -9.943 13.092 0.481 1.00 0.00 ATOM 216 OH TYR 40 -10.522 14.303 0.782 1.00 0.00 ATOM 217 O TYR 40 -5.289 8.119 -1.665 1.00 0.00 ATOM 218 C TYR 40 -6.505 8.044 -1.845 1.00 0.00 ATOM 219 N LYS 41 -7.135 6.903 -2.110 1.00 0.00 ATOM 220 CA LYS 41 -6.446 5.624 -2.190 1.00 0.00 ATOM 221 CB LYS 41 -7.430 4.505 -2.534 1.00 0.00 ATOM 222 CG LYS 41 -8.398 4.163 -1.413 1.00 0.00 ATOM 223 CD LYS 41 -9.344 3.046 -1.822 1.00 0.00 ATOM 224 CE LYS 41 -10.327 2.721 -0.709 1.00 0.00 ATOM 225 NZ LYS 41 -11.283 1.649 -1.107 1.00 0.00 ATOM 226 O LYS 41 -4.284 4.998 -3.031 1.00 0.00 ATOM 227 C LYS 41 -5.347 5.583 -3.250 1.00 0.00 ATOM 228 N THR 42 -5.599 6.195 -4.400 1.00 0.00 ATOM 229 CA THR 42 -4.606 6.194 -5.471 1.00 0.00 ATOM 230 CB THR 42 -5.215 6.663 -6.806 1.00 0.00 ATOM 231 CG2 THR 42 -4.155 6.691 -7.895 1.00 0.00 ATOM 232 OG1 THR 42 -6.262 5.766 -7.199 1.00 0.00 ATOM 233 O THR 42 -2.286 6.804 -5.465 1.00 0.00 ATOM 234 C THR 42 -3.430 7.122 -5.160 1.00 0.00 ATOM 235 N GLN 43 -3.716 8.261 -4.541 1.00 0.00 ATOM 236 CA GLN 43 -2.682 9.227 -4.193 1.00 0.00 ATOM 237 CB GLN 43 -3.310 10.534 -3.706 1.00 0.00 ATOM 238 CG GLN 43 -4.014 11.328 -4.795 1.00 0.00 ATOM 239 CD GLN 43 -4.719 12.558 -4.256 1.00 0.00 ATOM 240 OE1 GLN 43 -4.772 12.774 -3.045 1.00 0.00 ATOM 241 NE2 GLN 43 -5.261 13.369 -5.156 1.00 0.00 ATOM 242 O GLN 43 -0.545 8.989 -3.102 1.00 0.00 ATOM 243 C GLN 43 -1.749 8.732 -3.080 1.00 0.00 ATOM 244 N LYS 44 -2.314 8.021 -2.114 1.00 0.00 ATOM 245 CA LYS 44 -1.541 7.479 -1.008 1.00 0.00 ATOM 246 CB LYS 44 -2.470 6.950 0.086 1.00 0.00 ATOM 247 CG LYS 44 -3.234 8.034 0.831 1.00 0.00 ATOM 248 CD LYS 44 -2.299 8.888 1.671 1.00 0.00 ATOM 249 CE LYS 44 -3.060 9.967 2.422 1.00 0.00 ATOM 250 NZ LYS 44 -2.158 10.808 3.255 1.00 0.00 ATOM 251 O LYS 44 0.497 6.200 -1.187 1.00 0.00 ATOM 252 C LYS 44 -0.677 6.338 -1.541 1.00 0.00 ATOM 253 N LEU 45 -1.268 5.533 -2.416 1.00 0.00 ATOM 254 CA LEU 45 -0.584 4.396 -3.011 1.00 0.00 ATOM 255 CB LEU 45 -1.553 3.572 -3.861 1.00 0.00 ATOM 256 CG LEU 45 -2.655 2.828 -3.104 1.00 0.00 ATOM 257 CD1 LEU 45 -3.632 2.181 -4.072 1.00 0.00 ATOM 258 CD2 LEU 45 -2.060 1.736 -2.228 1.00 0.00 ATOM 259 O LEU 45 1.603 4.189 -4.038 1.00 0.00 ATOM 260 C LEU 45 0.574 4.860 -3.916 1.00 0.00 ATOM 261 N ILE 46 0.393 6.017 -4.537 1.00 0.00 ATOM 262 CA ILE 46 1.395 6.596 -5.419 1.00 0.00 ATOM 263 CB ILE 46 0.800 7.715 -6.294 1.00 0.00 ATOM 264 CG1 ILE 46 -0.229 7.139 -7.270 1.00 0.00 ATOM 265 CG2 ILE 46 1.893 8.403 -7.096 1.00 0.00 ATOM 266 CD1 ILE 46 -1.037 8.192 -7.996 1.00 0.00 ATOM 267 O ILE 46 3.694 7.089 -5.000 1.00 0.00 ATOM 268 C ILE 46 2.537 7.191 -4.605 1.00 0.00 ATOM 269 N ALA 47 2.194 7.800 -3.469 1.00 0.00 ATOM 270 CA ALA 47 3.167 8.407 -2.557 1.00 0.00 ATOM 271 CB ALA 47 2.459 9.035 -1.366 1.00 0.00 ATOM 272 O ALA 47 5.330 7.655 -1.878 1.00 0.00 ATOM 273 C ALA 47 4.148 7.379 -2.030 1.00 0.00 ATOM 274 N ILE 48 3.642 6.191 -1.735 1.00 0.00 ATOM 275 CA ILE 48 4.480 5.115 -1.249 1.00 0.00 ATOM 276 CB ILE 48 3.641 3.911 -0.785 1.00 0.00 ATOM 277 CG1 ILE 48 2.828 4.276 0.459 1.00 0.00 ATOM 278 CG2 ILE 48 4.540 2.733 -0.444 1.00 0.00 ATOM 279 CD1 ILE 48 1.780 3.247 0.826 1.00 0.00 ATOM 280 O ILE 48 6.619 4.533 -2.180 1.00 0.00 ATOM 281 C ILE 48 5.409 4.660 -2.374 1.00 0.00 ATOM 282 N GLY 49 4.847 4.421 -3.555 1.00 0.00 ATOM 283 CA GLY 49 5.653 3.967 -4.692 1.00 0.00 ATOM 284 O GLY 49 7.928 4.539 -5.225 1.00 0.00 ATOM 285 C GLY 49 6.790 4.949 -5.034 1.00 0.00 ATOM 286 N ILE 50 6.476 6.241 -5.116 1.00 0.00 ATOM 287 CA ILE 50 7.483 7.254 -5.427 1.00 0.00 ATOM 288 CB ILE 50 6.857 8.656 -5.547 1.00 0.00 ATOM 289 CG1 ILE 50 5.950 8.731 -6.777 1.00 0.00 ATOM 290 CG2 ILE 50 7.941 9.714 -5.681 1.00 0.00 ATOM 291 CD1 ILE 50 5.090 9.975 -6.827 1.00 0.00 ATOM 292 O ILE 50 9.739 7.502 -4.647 1.00 0.00 ATOM 293 C ILE 50 8.554 7.325 -4.349 1.00 0.00 ATOM 294 N VAL 51 8.126 7.184 -3.095 1.00 0.00 ATOM 295 CA VAL 51 9.037 7.215 -1.956 1.00 0.00 ATOM 296 CB VAL 51 8.283 7.032 -0.625 1.00 0.00 ATOM 297 CG1 VAL 51 9.264 6.867 0.524 1.00 0.00 ATOM 298 CG2 VAL 51 7.407 8.241 -0.340 1.00 0.00 ATOM 299 O VAL 51 11.240 6.280 -1.886 1.00 0.00 ATOM 300 C VAL 51 10.046 6.094 -2.099 1.00 0.00 ATOM 301 N ALA 52 9.544 4.925 -2.465 1.00 0.00 ATOM 302 CA ALA 52 10.387 3.759 -2.648 1.00 0.00 ATOM 303 CB ALA 52 9.536 2.513 -2.830 1.00 0.00 ATOM 304 O ALA 52 12.444 3.583 -3.851 1.00 0.00 ATOM 305 C ALA 52 11.268 3.925 -3.879 1.00 0.00 ATOM 306 N SER 53 10.691 4.469 -4.948 1.00 0.00 ATOM 307 CA SER 53 11.406 4.666 -6.195 1.00 0.00 ATOM 308 CB SER 53 10.469 5.231 -7.266 1.00 0.00 ATOM 309 OG SER 53 10.032 6.535 -6.923 1.00 0.00 ATOM 310 O SER 53 13.584 5.499 -6.757 1.00 0.00 ATOM 311 C SER 53 12.577 5.638 -6.061 1.00 0.00 ATOM 312 N ARG 54 12.452 6.619 -5.174 1.00 0.00 ATOM 313 CA ARG 54 13.515 7.592 -4.995 1.00 0.00 ATOM 314 CB ARG 54 12.930 8.988 -4.775 1.00 0.00 ATOM 315 CG ARG 54 12.140 9.523 -5.958 1.00 0.00 ATOM 316 CD ARG 54 11.633 10.932 -5.692 1.00 0.00 ATOM 317 NE ARG 54 10.860 11.456 -6.816 1.00 0.00 ATOM 318 CZ ARG 54 10.279 12.651 -6.829 1.00 0.00 ATOM 319 NH1 ARG 54 9.595 13.044 -7.896 1.00 0.00 ATOM 320 NH2 ARG 54 10.382 13.450 -5.777 1.00 0.00 ATOM 321 O ARG 54 15.276 7.988 -3.395 1.00 0.00 ATOM 322 C ARG 54 14.387 7.241 -3.776 1.00 0.00 ATOM 323 N CYS 55 14.121 6.079 -3.184 1.00 0.00 ATOM 324 CA CYS 55 14.878 5.569 -2.040 1.00 0.00 ATOM 325 CB CYS 55 16.329 5.288 -2.439 1.00 0.00 ATOM 326 SG CYS 55 16.521 4.022 -3.715 1.00 0.00 ATOM 327 O CYS 55 16.059 6.667 -0.271 1.00 0.00 ATOM 328 C CYS 55 14.978 6.470 -0.810 1.00 0.00 ATOM 329 N ASP 56 13.862 7.027 -0.370 1.00 0.00 ATOM 330 CA ASP 56 13.867 7.857 0.829 1.00 0.00 ATOM 331 CB ASP 56 13.195 9.202 0.552 1.00 0.00 ATOM 332 CG ASP 56 13.211 10.120 1.759 1.00 0.00 ATOM 333 OD1 ASP 56 13.660 9.677 2.836 1.00 0.00 ATOM 334 OD2 ASP 56 12.773 11.283 1.627 1.00 0.00 ATOM 335 O ASP 56 11.865 6.989 1.852 1.00 0.00 ATOM 336 C ASP 56 13.090 7.080 1.902 1.00 0.00 ATOM 337 N GLU 57 13.825 6.503 2.850 1.00 0.00 ATOM 338 CA GLU 57 13.242 5.706 3.928 1.00 0.00 ATOM 339 CB GLU 57 14.338 5.159 4.844 1.00 0.00 ATOM 340 CG GLU 57 15.191 4.072 4.211 1.00 0.00 ATOM 341 CD GLU 57 16.342 3.643 5.100 1.00 0.00 ATOM 342 OE1 GLU 57 16.516 4.246 6.180 1.00 0.00 ATOM 343 OE2 GLU 57 17.069 2.701 4.718 1.00 0.00 ATOM 344 O GLU 57 11.225 5.961 5.219 1.00 0.00 ATOM 345 C GLU 57 12.271 6.485 4.823 1.00 0.00 ATOM 346 N VAL 58 12.612 7.733 5.132 1.00 0.00 ATOM 347 CA VAL 58 11.762 8.566 5.970 1.00 0.00 ATOM 348 CB VAL 58 12.426 9.919 6.281 1.00 0.00 ATOM 349 CG1 VAL 58 11.446 10.846 6.985 1.00 0.00 ATOM 350 CG2 VAL 58 13.635 9.724 7.183 1.00 0.00 ATOM 351 O VAL 58 9.368 8.845 5.904 1.00 0.00 ATOM 352 C VAL 58 10.433 8.845 5.272 1.00 0.00 ATOM 353 N ALA 59 10.503 9.082 3.966 1.00 0.00 ATOM 354 CA ALA 59 9.311 9.373 3.178 1.00 0.00 ATOM 355 CB ALA 59 9.698 9.817 1.776 1.00 0.00 ATOM 356 O ALA 59 7.209 8.199 3.221 1.00 0.00 ATOM 357 C ALA 59 8.423 8.133 3.062 1.00 0.00 ATOM 358 N ILE 60 9.053 7.002 2.773 1.00 0.00 ATOM 359 CA ILE 60 8.355 5.736 2.620 1.00 0.00 ATOM 360 CB ILE 60 9.329 4.590 2.292 1.00 0.00 ATOM 361 CG1 ILE 60 9.931 4.783 0.899 1.00 0.00 ATOM 362 CG2 ILE 60 8.607 3.253 2.324 1.00 0.00 ATOM 363 CD1 ILE 60 11.089 3.857 0.599 1.00 0.00 ATOM 364 O ILE 60 6.463 4.878 3.821 1.00 0.00 ATOM 365 C ILE 60 7.601 5.329 3.885 1.00 0.00 ATOM 366 N GLU 61 8.255 5.496 5.029 1.00 0.00 ATOM 367 CA GLU 61 7.694 5.157 6.336 1.00 0.00 ATOM 368 CB GLU 61 8.710 5.439 7.445 1.00 0.00 ATOM 369 CG GLU 61 8.227 5.071 8.837 1.00 0.00 ATOM 370 CD GLU 61 9.272 5.335 9.906 1.00 0.00 ATOM 371 OE1 GLU 61 10.379 5.793 9.553 1.00 0.00 ATOM 372 OE2 GLU 61 8.982 5.082 11.094 1.00 0.00 ATOM 373 O GLU 61 5.377 5.428 6.952 1.00 0.00 ATOM 374 C GLU 61 6.434 5.974 6.628 1.00 0.00 ATOM 375 N LYS 62 6.561 7.291 6.513 1.00 0.00 ATOM 376 CA LYS 62 5.461 8.209 6.761 1.00 0.00 ATOM 377 CB LYS 62 5.908 9.655 6.544 1.00 0.00 ATOM 378 CG LYS 62 4.829 10.689 6.821 1.00 0.00 ATOM 379 CD LYS 62 5.362 12.102 6.653 1.00 0.00 ATOM 380 CE LYS 62 4.269 13.134 6.882 1.00 0.00 ATOM 381 NZ LYS 62 4.772 14.524 6.699 1.00 0.00 ATOM 382 O LYS 62 3.132 7.884 6.309 1.00 0.00 ATOM 383 C LYS 62 4.266 7.966 5.845 1.00 0.00 ATOM 384 N GLN 63 4.511 7.846 4.548 1.00 0.00 ATOM 385 CA GLN 63 3.415 7.629 3.610 1.00 0.00 ATOM 386 CB GLN 63 3.903 7.793 2.168 1.00 0.00 ATOM 387 CG GLN 63 4.334 9.208 1.817 1.00 0.00 ATOM 388 CD GLN 63 3.209 10.214 1.971 1.00 0.00 ATOM 389 OE1 GLN 63 2.083 9.972 1.535 1.00 0.00 ATOM 390 NE2 GLN 63 3.512 11.347 2.593 1.00 0.00 ATOM 391 O GLN 63 1.620 6.045 3.438 1.00 0.00 ATOM 392 C GLN 63 2.805 6.236 3.721 1.00 0.00 ATOM 393 N MET 64 3.609 5.258 4.121 1.00 0.00 ATOM 394 CA MET 64 3.097 3.901 4.267 1.00 0.00 ATOM 395 CB MET 64 4.242 2.925 4.544 1.00 0.00 ATOM 396 CG MET 64 3.794 1.485 4.739 1.00 0.00 ATOM 397 SD MET 64 5.166 0.376 5.113 1.00 0.00 ATOM 398 CE MET 64 5.553 0.868 6.790 1.00 0.00 ATOM 399 O MET 64 1.016 3.267 5.310 1.00 0.00 ATOM 400 C MET 64 2.105 3.839 5.431 1.00 0.00 ATOM 401 N SER 66 2.477 4.433 6.559 1.00 0.00 ATOM 402 CA SER 66 1.591 4.427 7.712 1.00 0.00 ATOM 403 CB SER 66 2.325 4.940 8.954 1.00 0.00 ATOM 404 OG SER 66 2.671 6.308 8.812 1.00 0.00 ATOM 405 O SER 66 -0.687 5.069 8.007 1.00 0.00 ATOM 406 C SER 66 0.387 5.321 7.461 1.00 0.00 ATOM 407 N ALA 67 0.549 6.348 6.626 1.00 0.00 ATOM 408 CA ALA 67 -0.590 7.207 6.297 1.00 0.00 ATOM 409 CB ALA 67 -0.134 8.402 5.477 1.00 0.00 ATOM 410 O ALA 67 -2.793 6.541 5.597 1.00 0.00 ATOM 411 C ALA 67 -1.582 6.368 5.490 1.00 0.00 ATOM 412 N MET 68 -1.053 5.455 4.681 1.00 0.00 ATOM 413 CA MET 68 -1.882 4.595 3.846 1.00 0.00 ATOM 414 CB MET 68 -1.059 4.005 2.700 1.00 0.00 ATOM 415 CG MET 68 -0.603 5.028 1.671 1.00 0.00 ATOM 416 SD MET 68 -1.982 5.873 0.873 1.00 0.00 ATOM 417 CE MET 68 -2.687 4.538 -0.089 1.00 0.00 ATOM 418 O MET 68 -3.611 3.010 4.373 1.00 0.00 ATOM 419 C MET 68 -2.480 3.430 4.630 1.00 0.00 ATOM 420 N LYS 69 -1.719 2.902 5.584 1.00 0.00 ATOM 421 CA LYS 69 -2.190 1.786 6.400 1.00 0.00 ATOM 422 CB LYS 69 -1.070 1.276 7.310 1.00 0.00 ATOM 423 CG LYS 69 0.049 0.558 6.574 1.00 0.00 ATOM 424 CD LYS 69 1.124 0.077 7.535 1.00 0.00 ATOM 425 CE LYS 69 2.259 -0.611 6.795 1.00 0.00 ATOM 426 NZ LYS 69 3.331 -1.067 7.723 1.00 0.00 ATOM 427 O LYS 69 -4.282 1.418 7.529 1.00 0.00 ATOM 428 C LYS 69 -3.360 2.202 7.281 1.00 0.00 ATOM 429 N GLU 70 -3.316 3.446 7.748 1.00 0.00 ATOM 430 CA GLU 70 -4.370 3.972 8.601 1.00 0.00 ATOM 431 CB GLU 70 -3.838 5.120 9.462 1.00 0.00 ATOM 432 CG GLU 70 -2.780 4.701 10.470 1.00 0.00 ATOM 433 CD GLU 70 -2.228 5.874 11.256 1.00 0.00 ATOM 434 OE1 GLU 70 -2.660 7.017 11.001 1.00 0.00 ATOM 435 OE2 GLU 70 -1.361 5.650 12.126 1.00 0.00 ATOM 436 O GLU 70 -6.409 5.211 8.272 1.00 0.00 ATOM 437 C GLU 70 -5.534 4.502 7.769 1.00 0.00 ATOM 438 N LEU 71 -5.542 4.152 6.489 1.00 0.00 ATOM 439 CA LEU 71 -6.612 4.565 5.595 1.00 0.00 ATOM 440 CB LEU 71 -6.077 5.520 4.527 1.00 0.00 ATOM 441 CG LEU 71 -5.580 6.881 5.020 1.00 0.00 ATOM 442 CD1 LEU 71 -4.886 7.640 3.898 1.00 0.00 ATOM 443 CD2 LEU 71 -6.739 7.727 5.521 1.00 0.00 ATOM 444 O LEU 71 -7.838 3.416 3.878 1.00 0.00 ATOM 445 C LEU 71 -7.193 3.328 4.921 1.00 0.00 ATOM 446 N GLY 72 -6.950 2.167 5.520 1.00 0.00 ATOM 447 CA GLY 72 -7.469 0.929 4.966 1.00 0.00 ATOM 448 O GLY 72 -6.696 -1.083 3.961 1.00 0.00 ATOM 449 C GLY 72 -6.552 0.136 4.050 1.00 0.00 ATOM 450 N ILE 73 -5.620 0.803 3.369 1.00 0.00 ATOM 451 CA ILE 73 -4.703 0.123 2.453 1.00 0.00 ATOM 452 CB ILE 73 -3.685 1.104 1.842 1.00 0.00 ATOM 453 CG1 ILE 73 -4.402 2.162 1.003 1.00 0.00 ATOM 454 CG2 ILE 73 -2.704 0.363 0.947 1.00 0.00 ATOM 455 CD1 ILE 73 -5.125 1.600 -0.203 1.00 0.00 ATOM 456 O ILE 73 -3.346 -0.750 4.235 1.00 0.00 ATOM 457 C ILE 73 -3.909 -0.972 3.163 1.00 0.00 ATOM 458 N THR 74 -3.858 -2.151 2.557 1.00 0.00 ATOM 459 CA THR 74 -3.158 -3.289 3.152 1.00 0.00 ATOM 460 CB THR 74 -3.804 -4.626 2.743 1.00 0.00 ATOM 461 CG2 THR 74 -5.257 -4.674 3.188 1.00 0.00 ATOM 462 OG1 THR 74 -3.750 -4.770 1.318 1.00 0.00 ATOM 463 O THR 74 -1.246 -3.015 1.706 1.00 0.00 ATOM 464 C THR 74 -1.676 -3.437 2.783 1.00 0.00 ATOM 465 N LYS 75 -0.912 -4.056 3.685 1.00 0.00 ATOM 466 CA LYS 75 0.519 -4.294 3.474 1.00 0.00 ATOM 467 CB LYS 75 1.063 -5.257 4.532 1.00 0.00 ATOM 468 CG LYS 75 2.554 -5.529 4.413 1.00 0.00 ATOM 469 CD LYS 75 3.039 -6.441 5.531 1.00 0.00 ATOM 470 CE LYS 75 4.520 -6.752 5.385 1.00 0.00 ATOM 471 NZ LYS 75 5.014 -7.626 6.484 1.00 0.00 ATOM 472 O LYS 75 1.714 -4.468 1.396 1.00 0.00 ATOM 473 C LYS 75 0.803 -4.905 2.104 1.00 0.00 ATOM 474 N GLU 76 0.022 -5.919 1.740 1.00 0.00 ATOM 475 CA GLU 76 0.187 -6.573 0.457 1.00 0.00 ATOM 476 CB GLU 76 -0.846 -7.691 0.288 1.00 0.00 ATOM 477 CG GLU 76 -0.601 -8.899 1.177 1.00 0.00 ATOM 478 CD GLU 76 -1.707 -9.930 1.075 1.00 0.00 ATOM 479 OE1 GLU 76 -2.701 -9.667 0.365 1.00 0.00 ATOM 480 OE2 GLU 76 -1.581 -11.002 1.703 1.00 0.00 ATOM 481 O GLU 76 0.696 -5.718 -1.717 1.00 0.00 ATOM 482 C GLU 76 0.010 -5.606 -0.697 1.00 0.00 ATOM 483 N GLU 77 -0.906 -4.653 -0.546 1.00 0.00 ATOM 484 CA GLU 77 -1.135 -3.673 -1.595 1.00 0.00 ATOM 485 CB GLU 77 -2.396 -2.858 -1.301 1.00 0.00 ATOM 486 CG GLU 77 -3.690 -3.644 -1.438 1.00 0.00 ATOM 487 CD GLU 77 -4.909 -2.831 -1.050 1.00 0.00 ATOM 488 OE1 GLU 77 -4.737 -1.673 -0.615 1.00 0.00 ATOM 489 OE2 GLU 77 -6.036 -3.353 -1.181 1.00 0.00 ATOM 490 O GLU 77 0.396 -2.254 -2.785 1.00 0.00 ATOM 491 C GLU 77 0.055 -2.711 -1.696 1.00 0.00 ATOM 492 N ILE 78 0.693 -2.413 -0.564 1.00 0.00 ATOM 493 CA ILE 78 1.860 -1.534 -0.577 1.00 0.00 ATOM 494 CB ILE 78 2.239 -1.079 0.845 1.00 0.00 ATOM 495 CG1 ILE 78 1.163 -0.150 1.412 1.00 0.00 ATOM 496 CG2 ILE 78 3.563 -0.331 0.829 1.00 0.00 ATOM 497 CD1 ILE 78 1.322 0.136 2.890 1.00 0.00 ATOM 498 O ILE 78 3.923 -1.659 -1.810 1.00 0.00 ATOM 499 C ILE 78 3.059 -2.270 -1.180 1.00 0.00 ATOM 500 N ALA 79 3.110 -3.585 -0.987 1.00 0.00 ATOM 501 CA ALA 79 4.206 -4.374 -1.533 1.00 0.00 ATOM 502 CB ALA 79 4.129 -5.806 -1.027 1.00 0.00 ATOM 503 O ALA 79 5.120 -4.338 -3.747 1.00 0.00 ATOM 504 C ALA 79 4.110 -4.372 -3.054 1.00 0.00 ATOM 505 N ASP 80 2.892 -4.407 -3.577 1.00 0.00 ATOM 506 CA ASP 80 2.698 -4.390 -5.019 1.00 0.00 ATOM 507 CB ASP 80 1.233 -4.665 -5.366 1.00 0.00 ATOM 508 CG ASP 80 0.844 -6.113 -5.145 1.00 0.00 ATOM 509 OD1 ASP 80 1.752 -6.951 -4.963 1.00 0.00 ATOM 510 OD2 ASP 80 -0.369 -6.409 -5.153 1.00 0.00 ATOM 511 O ASP 80 3.647 -2.915 -6.661 1.00 0.00 ATOM 512 C ASP 80 3.091 -3.020 -5.563 1.00 0.00 ATOM 513 N VAL 81 2.779 -1.975 -4.803 1.00 0.00 ATOM 514 CA VAL 81 3.129 -0.616 -5.195 1.00 0.00 ATOM 515 CB VAL 81 2.573 0.419 -4.198 1.00 0.00 ATOM 516 CG1 VAL 81 3.114 1.805 -4.512 1.00 0.00 ATOM 517 CG2 VAL 81 1.055 0.468 -4.271 1.00 0.00 ATOM 518 O VAL 81 5.248 -0.017 -6.142 1.00 0.00 ATOM 519 C VAL 81 4.650 -0.557 -5.217 1.00 0.00 ATOM 520 N LEU 82 5.269 -1.128 -4.192 1.00 0.00 ATOM 521 CA LEU 82 6.725 -1.164 -4.102 1.00 0.00 ATOM 522 CB LEU 82 7.165 -1.864 -2.815 1.00 0.00 ATOM 523 CG LEU 82 6.887 -1.117 -1.508 1.00 0.00 ATOM 524 CD1 LEU 82 7.205 -1.997 -0.308 1.00 0.00 ATOM 525 CD2 LEU 82 7.739 0.139 -1.415 1.00 0.00 ATOM 526 O LEU 82 8.268 -1.500 -5.920 1.00 0.00 ATOM 527 C LEU 82 7.291 -1.929 -5.304 1.00 0.00 ATOM 528 N ARG 83 6.666 -3.055 -5.634 1.00 0.00 ATOM 529 CA ARG 83 7.098 -3.884 -6.758 1.00 0.00 ATOM 530 CB ARG 83 6.109 -5.029 -6.992 1.00 0.00 ATOM 531 CG ARG 83 6.533 -6.006 -8.076 1.00 0.00 ATOM 532 CD ARG 83 5.452 -7.038 -8.345 1.00 0.00 ATOM 533 NE ARG 83 4.254 -6.437 -8.926 1.00 0.00 ATOM 534 CZ ARG 83 4.137 -6.086 -10.202 1.00 0.00 ATOM 535 NH1 ARG 83 3.010 -5.545 -10.643 1.00 0.00 ATOM 536 NH2 ARG 83 5.150 -6.277 -11.037 1.00 0.00 ATOM 537 O ARG 83 8.166 -3.199 -8.798 1.00 0.00 ATOM 538 C ARG 83 7.195 -3.084 -8.062 1.00 0.00 ATOM 539 N VAL 84 6.183 -2.272 -8.339 1.00 0.00 ATOM 540 CA VAL 84 6.170 -1.457 -9.550 1.00 0.00 ATOM 541 CB VAL 84 4.880 -0.622 -9.655 1.00 0.00 ATOM 542 CG1 VAL 84 4.976 0.361 -10.811 1.00 0.00 ATOM 543 CG2 VAL 84 3.680 -1.526 -9.891 1.00 0.00 ATOM 544 O VAL 84 8.036 -0.327 -10.552 1.00 0.00 ATOM 545 C VAL 84 7.358 -0.503 -9.540 1.00 0.00 ATOM 546 N VAL 85 7.606 0.114 -8.394 1.00 0.00 ATOM 547 CA VAL 85 8.721 1.044 -8.275 1.00 0.00 ATOM 548 CB VAL 85 8.833 1.611 -6.849 1.00 0.00 ATOM 549 CG1 VAL 85 10.113 2.418 -6.696 1.00 0.00 ATOM 550 CG2 VAL 85 7.653 2.520 -6.543 1.00 0.00 ATOM 551 O VAL 85 10.908 0.911 -9.256 1.00 0.00 ATOM 552 C VAL 85 10.032 0.334 -8.609 1.00 0.00 ATOM 553 N LEU 86 10.148 -0.914 -8.168 1.00 0.00 ATOM 554 CA LEU 86 11.337 -1.722 -8.399 1.00 0.00 ATOM 555 CB LEU 86 11.268 -3.020 -7.592 1.00 0.00 ATOM 556 CG LEU 86 11.359 -2.878 -6.071 1.00 0.00 ATOM 557 CD1 LEU 86 11.121 -4.217 -5.392 1.00 0.00 ATOM 558 CD2 LEU 86 12.731 -2.372 -5.659 1.00 0.00 ATOM 559 O LEU 86 12.571 -2.212 -10.399 1.00 0.00 ATOM 560 C LEU 86 11.465 -2.080 -9.866 1.00 0.00 ATOM 561 N LEU 87 10.318 -2.269 -10.505 1.00 0.00 ATOM 562 CA LEU 87 10.281 -2.613 -11.911 1.00 0.00 ATOM 563 CB LEU 87 8.859 -2.987 -12.333 1.00 0.00 ATOM 564 CG LEU 87 8.305 -4.295 -11.767 1.00 0.00 ATOM 565 CD1 LEU 87 6.834 -4.454 -12.118 1.00 0.00 ATOM 566 CD2 LEU 87 9.060 -5.488 -12.334 1.00 0.00 ATOM 567 O LEU 87 11.477 -1.574 -13.712 1.00 0.00 ATOM 568 C LEU 87 10.745 -1.417 -12.730 1.00 0.00 ATOM 569 N THR 88 10.320 -0.226 -12.315 1.00 0.00 ATOM 570 CA THR 88 10.686 0.998 -13.007 1.00 0.00 ATOM 571 CB THR 88 9.878 2.203 -12.489 1.00 0.00 ATOM 572 CG2 THR 88 10.306 3.476 -13.201 1.00 0.00 ATOM 573 OG1 THR 88 8.482 1.984 -12.729 1.00 0.00 ATOM 574 O THR 88 12.816 1.831 -13.724 1.00 0.00 ATOM 575 C THR 88 12.171 1.315 -12.811 1.00 0.00 ATOM 576 N SER 89 12.715 1.018 -11.628 1.00 0.00 ATOM 577 CA SER 89 14.136 1.269 -11.391 1.00 0.00 ATOM 578 CB SER 89 14.497 0.972 -9.934 1.00 0.00 ATOM 579 OG SER 89 13.853 1.878 -9.054 1.00 0.00 ATOM 580 O SER 89 15.987 0.773 -12.838 1.00 0.00 ATOM 581 C SER 89 14.953 0.362 -12.311 1.00 0.00 ATOM 582 N GLY 90 14.491 -0.872 -12.502 1.00 0.00 ATOM 583 CA GLY 90 15.192 -1.806 -13.377 1.00 0.00 ATOM 584 O GLY 90 15.830 -1.536 -15.686 1.00 0.00 ATOM 585 C GLY 90 14.928 -1.459 -14.844 1.00 0.00 ATOM 586 N MET 91 13.687 -1.073 -15.140 1.00 0.00 ATOM 587 CA MET 91 13.319 -0.714 -16.496 1.00 0.00 ATOM 588 CB MET 91 11.826 -0.391 -16.579 1.00 0.00 ATOM 589 CG MET 91 11.355 0.017 -17.965 1.00 0.00 ATOM 590 SD MET 91 9.606 0.455 -18.004 1.00 0.00 ATOM 591 CE MET 91 9.631 2.029 -17.152 1.00 0.00 ATOM 592 O MET 91 14.602 0.522 -18.093 1.00 0.00 ATOM 593 C MET 91 14.086 0.501 -16.974 1.00 0.00 ATOM 594 N PRO 92 14.174 1.518 -16.125 1.00 0.00 ATOM 595 CA PRO 92 14.903 2.721 -16.494 1.00 0.00 ATOM 596 CB PRO 92 14.793 3.616 -15.259 1.00 0.00 ATOM 597 CG PRO 92 13.516 3.199 -14.609 1.00 0.00 ATOM 598 CD PRO 92 13.432 1.708 -14.775 1.00 0.00 ATOM 599 O PRO 92 16.927 2.982 -17.758 1.00 0.00 ATOM 600 C PRO 92 16.368 2.409 -16.827 1.00 0.00 ATOM 601 N ALA 93 16.983 1.492 -16.086 1.00 0.00 ATOM 602 CA ALA 93 18.370 1.127 -16.354 1.00 0.00 ATOM 603 CB ALA 93 18.916 0.255 -15.234 1.00 0.00 ATOM 604 O ALA 93 19.434 0.474 -18.404 1.00 0.00 ATOM 605 C ALA 93 18.455 0.354 -17.669 1.00 0.00 ATOM 606 N PHE 94 17.428 -0.438 -17.961 1.00 0.00 ATOM 607 CA PHE 94 17.384 -1.206 -19.203 1.00 0.00 ATOM 608 CB PHE 94 16.078 -1.997 -19.298 1.00 0.00 ATOM 609 CG PHE 94 15.952 -2.811 -20.554 1.00 0.00 ATOM 610 CD1 PHE 94 16.608 -4.023 -20.679 1.00 0.00 ATOM 611 CD2 PHE 94 15.179 -2.364 -21.610 1.00 0.00 ATOM 612 CE1 PHE 94 16.493 -4.771 -21.836 1.00 0.00 ATOM 613 CE2 PHE 94 15.062 -3.112 -22.766 1.00 0.00 ATOM 614 CZ PHE 94 15.715 -4.311 -22.882 1.00 0.00 ATOM 615 O PHE 94 18.184 -0.491 -21.348 1.00 0.00 ATOM 616 C PHE 94 17.475 -0.242 -20.378 1.00 0.00 ATOM 617 N THR 95 16.740 0.857 -20.287 1.00 0.00 ATOM 618 CA THR 95 16.721 1.867 -21.340 1.00 0.00 ATOM 619 CB THR 95 15.788 3.038 -20.983 1.00 0.00 ATOM 620 CG2 THR 95 15.815 4.093 -22.077 1.00 0.00 ATOM 621 OG1 THR 95 14.446 2.556 -20.838 1.00 0.00 ATOM 622 O THR 95 18.525 2.645 -22.724 1.00 0.00 ATOM 623 C THR 95 18.114 2.453 -21.585 1.00 0.00 ATOM 624 N LYS 96 18.831 2.734 -20.502 1.00 0.00 ATOM 625 CA LYS 96 20.180 3.278 -20.580 1.00 0.00 ATOM 626 CB LYS 96 20.691 3.644 -19.184 1.00 0.00 ATOM 627 CG LYS 96 19.943 4.796 -18.532 1.00 0.00 ATOM 628 CD LYS 96 20.546 5.154 -17.183 1.00 0.00 ATOM 629 CE LYS 96 19.785 6.290 -16.522 1.00 0.00 ATOM 630 NZ LYS 96 20.347 6.633 -15.186 1.00 0.00 ATOM 631 O LYS 96 22.026 2.552 -21.964 1.00 0.00 ATOM 632 C LYS 96 21.111 2.229 -21.195 1.00 0.00 TER END