PFRMAT TS TARGET T0205 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to 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 7 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 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) for METHOD finding and aligning more remote 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. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD The model from the raw alignment sam-t2k 3-track HMM alignment to METHOD 1h0xA, with sidechain optimization by SCWRL. This was our second automatic METHOD fold-recognition result. REMARK 6 REMARK 6 T0205 model 4 Sat Jul 3 20:15:58 2004 MODEL 4 PARENT 1h0x_A ATOM 2 N ASN 21 -1.698 40.849 32.649 1.00 0.00 ATOM 3 CA ASN 21 -1.120 41.193 31.348 1.00 0.00 ATOM 4 CB ASN 21 -2.159 41.020 30.238 1.00 0.00 ATOM 5 CG ASN 21 -3.284 42.031 30.332 1.00 0.00 ATOM 6 ND2 ASN 21 -4.221 41.960 29.393 1.00 0.00 ATOM 7 OD1 ASN 21 -3.311 42.864 31.237 1.00 0.00 ATOM 8 O ASN 21 -0.198 43.103 30.213 1.00 0.00 ATOM 9 C ASN 21 -0.623 42.635 31.275 1.00 0.00 ATOM 10 N ARG 22 -0.633 43.316 32.421 1.00 0.00 ATOM 11 CA ARG 22 -0.180 44.703 32.497 1.00 0.00 ATOM 12 CB ARG 22 -1.251 45.583 33.144 1.00 0.00 ATOM 13 CG ARG 22 -0.886 47.057 33.211 1.00 0.00 ATOM 14 CD ARG 22 -2.016 47.879 33.813 1.00 0.00 ATOM 15 NE ARG 22 -1.678 49.297 33.894 1.00 0.00 ATOM 16 CZ ARG 22 -2.450 50.218 34.461 1.00 0.00 ATOM 17 NH1 ARG 22 -2.061 51.486 34.488 1.00 0.00 ATOM 18 NH2 ARG 22 -3.609 49.870 35.002 1.00 0.00 ATOM 19 O ARG 22 1.195 44.456 34.449 1.00 0.00 ATOM 20 C ARG 22 1.095 44.904 33.314 1.00 0.00 ATOM 21 N ILE 23 2.063 45.585 32.719 1.00 0.00 ATOM 22 CA ILE 23 3.325 45.887 33.382 1.00 0.00 ATOM 23 CB ILE 23 4.531 45.536 32.489 1.00 0.00 ATOM 24 CG1 ILE 23 4.508 44.050 32.126 1.00 0.00 ATOM 25 CG2 ILE 23 5.834 45.837 33.212 1.00 0.00 ATOM 26 CD1 ILE 23 5.533 43.662 31.083 1.00 0.00 ATOM 27 O ILE 23 3.495 48.203 32.776 1.00 0.00 ATOM 28 C ILE 23 3.316 47.383 33.677 1.00 0.00 ATOM 29 N GLN 24 3.097 47.722 34.938 1.00 0.00 ATOM 30 CA GLN 24 3.056 49.108 35.386 1.00 0.00 ATOM 31 CB GLN 24 2.217 49.236 36.659 1.00 0.00 ATOM 32 CG GLN 24 2.081 50.661 37.172 1.00 0.00 ATOM 33 CD GLN 24 1.180 50.760 38.386 1.00 0.00 ATOM 34 OE1 GLN 24 0.664 49.753 38.871 1.00 0.00 ATOM 35 NE2 GLN 24 0.988 51.977 38.881 1.00 0.00 ATOM 36 O GLN 24 5.117 49.105 36.590 1.00 0.00 ATOM 37 C GLN 24 4.472 49.608 35.680 1.00 0.00 ATOM 38 N VAL 25 4.955 50.587 34.921 1.00 0.00 ATOM 39 CA VAL 25 6.304 51.124 35.134 1.00 0.00 ATOM 40 CB VAL 25 6.765 51.983 33.942 1.00 0.00 ATOM 41 CG1 VAL 25 8.115 52.619 34.233 1.00 0.00 ATOM 42 CG2 VAL 25 6.896 51.129 32.690 1.00 0.00 ATOM 43 O VAL 25 5.560 52.914 36.567 1.00 0.00 ATOM 44 C VAL 25 6.376 52.010 36.386 1.00 0.00 ATOM 45 N SER 26 7.362 51.743 37.238 1.00 0.00 ATOM 46 CA SER 26 7.544 52.514 38.452 1.00 0.00 ATOM 47 CB SER 26 7.265 51.648 39.683 1.00 0.00 ATOM 48 OG SER 26 7.255 52.429 40.865 1.00 0.00 ATOM 49 O SER 26 9.619 53.397 37.615 1.00 0.00 ATOM 50 C SER 26 8.956 53.064 38.601 1.00 0.00 ATOM 54 N LYS 29 9.437 53.139 39.838 1.00 0.00 ATOM 55 CA LYS 29 10.763 53.695 40.105 1.00 0.00 ATOM 56 CB LYS 29 10.855 54.189 41.550 1.00 0.00 ATOM 57 CG LYS 29 9.970 55.386 41.855 1.00 0.00 ATOM 58 CD LYS 29 10.103 55.816 43.307 1.00 0.00 ATOM 59 CE LYS 29 9.238 57.030 43.604 1.00 0.00 ATOM 60 NZ LYS 29 9.374 57.476 45.018 1.00 0.00 ATOM 61 O LYS 29 13.097 53.292 39.817 1.00 0.00 ATOM 62 C LYS 29 11.979 52.796 39.945 1.00 0.00 ATOM 63 N LYS 30 11.775 51.485 39.953 1.00 0.00 ATOM 64 CA LYS 30 12.890 50.552 39.831 1.00 0.00 ATOM 65 CB LYS 30 12.393 49.108 39.936 1.00 0.00 ATOM 66 CG LYS 30 11.861 48.735 41.310 1.00 0.00 ATOM 67 CD LYS 30 11.366 47.298 41.340 1.00 0.00 ATOM 68 CE LYS 30 10.913 46.896 42.733 1.00 0.00 ATOM 69 NZ LYS 30 10.513 45.464 42.798 1.00 0.00 ATOM 70 O LYS 30 13.193 51.394 37.601 1.00 0.00 ATOM 71 C LYS 30 13.625 50.678 38.504 1.00 0.00 ATOM 72 N PRO 31 14.769 49.991 38.378 1.00 0.00 ATOM 73 CA PRO 31 15.560 50.036 37.143 1.00 0.00 ATOM 74 CB PRO 31 16.892 49.391 37.534 1.00 0.00 ATOM 75 CG PRO 31 16.553 48.502 38.683 1.00 0.00 ATOM 76 CD PRO 31 15.442 49.187 39.426 1.00 0.00 ATOM 77 O PRO 31 14.287 48.205 36.266 1.00 0.00 ATOM 78 C PRO 31 14.874 49.265 36.028 1.00 0.00 ATOM 79 N LEU 32 14.961 49.801 34.816 1.00 0.00 ATOM 80 CA LEU 32 14.331 49.196 33.651 1.00 0.00 ATOM 81 CB LEU 32 15.099 49.560 32.378 1.00 0.00 ATOM 82 CG LEU 32 14.538 49.007 31.067 1.00 0.00 ATOM 83 CD1 LEU 32 13.172 49.607 30.770 1.00 0.00 ATOM 84 CD2 LEU 32 15.464 49.334 29.905 1.00 0.00 ATOM 85 O LEU 32 13.201 47.093 33.575 1.00 0.00 ATOM 86 C LEU 32 14.271 47.681 33.701 1.00 0.00 ATOM 87 N PHE 33 15.428 47.058 33.887 1.00 0.00 ATOM 88 CA PHE 33 15.525 45.606 33.926 1.00 0.00 ATOM 89 CB PHE 33 16.774 45.173 34.695 1.00 0.00 ATOM 90 CG PHE 33 16.955 43.683 34.769 1.00 0.00 ATOM 91 CD1 PHE 33 17.517 42.987 33.713 1.00 0.00 ATOM 92 CD2 PHE 33 16.563 42.979 35.894 1.00 0.00 ATOM 93 CE1 PHE 33 17.684 41.617 33.780 1.00 0.00 ATOM 94 CE2 PHE 33 16.729 41.608 35.960 1.00 0.00 ATOM 95 CZ PHE 33 17.287 40.927 34.912 1.00 0.00 ATOM 96 O PHE 33 13.795 43.955 34.067 1.00 0.00 ATOM 97 C PHE 33 14.343 44.923 34.597 1.00 0.00 ATOM 98 N PHE 34 13.951 45.422 35.760 1.00 0.00 ATOM 99 CA PHE 34 12.834 44.837 36.485 1.00 0.00 ATOM 100 CB PHE 34 12.445 45.719 37.673 1.00 0.00 ATOM 101 CG PHE 34 11.272 45.200 38.455 1.00 0.00 ATOM 102 CD1 PHE 34 11.440 44.206 39.404 1.00 0.00 ATOM 103 CD2 PHE 34 10.002 45.705 38.243 1.00 0.00 ATOM 104 CE1 PHE 34 10.362 43.728 40.123 1.00 0.00 ATOM 105 CE2 PHE 34 8.923 45.228 38.962 1.00 0.00 ATOM 106 CZ PHE 34 9.098 44.243 39.899 1.00 0.00 ATOM 107 O PHE 34 10.946 43.637 35.620 1.00 0.00 ATOM 108 C PHE 34 11.606 44.677 35.613 1.00 0.00 ATOM 109 N TYR 35 11.315 45.719 34.846 1.00 0.00 ATOM 110 CA TYR 35 10.145 45.732 33.992 1.00 0.00 ATOM 111 CB TYR 35 9.797 47.164 33.581 1.00 0.00 ATOM 112 CG TYR 35 9.216 47.998 34.700 1.00 0.00 ATOM 113 CD1 TYR 35 9.995 48.933 35.369 1.00 0.00 ATOM 114 CD2 TYR 35 7.889 47.847 35.084 1.00 0.00 ATOM 115 CE1 TYR 35 9.471 49.700 36.394 1.00 0.00 ATOM 116 CE2 TYR 35 7.349 48.605 36.106 1.00 0.00 ATOM 117 CZ TYR 35 8.153 49.537 36.762 1.00 0.00 ATOM 118 OH TYR 35 7.630 50.298 37.781 1.00 0.00 ATOM 119 O TYR 35 9.348 44.277 32.287 1.00 0.00 ATOM 120 C TYR 35 10.296 44.943 32.700 1.00 0.00 ATOM 121 N VAL 36 11.456 44.997 32.052 1.00 0.00 ATOM 122 CA VAL 36 11.592 44.215 30.829 1.00 0.00 ATOM 123 CB VAL 36 12.953 44.458 30.152 1.00 0.00 ATOM 124 CG1 VAL 36 13.153 43.489 28.996 1.00 0.00 ATOM 125 CG2 VAL 36 13.032 45.875 29.608 1.00 0.00 ATOM 126 O VAL 36 10.869 41.935 30.528 1.00 0.00 ATOM 127 C VAL 36 11.465 42.747 31.245 1.00 0.00 ATOM 128 N ASN 37 11.999 42.417 32.417 1.00 0.00 ATOM 129 CA ASN 37 11.913 41.053 32.908 1.00 0.00 ATOM 130 CB ASN 37 12.711 40.897 34.203 1.00 0.00 ATOM 131 CG ASN 37 12.752 39.463 34.694 1.00 0.00 ATOM 132 ND2 ASN 37 12.193 39.226 35.874 1.00 0.00 ATOM 133 OD1 ASN 37 13.280 38.581 34.018 1.00 0.00 ATOM 134 O ASN 37 9.998 39.629 32.779 1.00 0.00 ATOM 135 C ASN 37 10.467 40.688 33.183 1.00 0.00 ATOM 136 N LEU 38 9.761 41.560 33.889 1.00 0.00 ATOM 137 CA LEU 38 8.359 41.311 34.203 1.00 0.00 ATOM 138 CB LEU 38 7.762 42.494 34.967 1.00 0.00 ATOM 139 CG LEU 38 6.295 42.365 35.379 1.00 0.00 ATOM 140 CD1 LEU 38 6.101 41.180 36.313 1.00 0.00 ATOM 141 CD2 LEU 38 5.825 43.620 36.100 1.00 0.00 ATOM 142 O LEU 38 6.696 40.284 32.806 1.00 0.00 ATOM 143 C LEU 38 7.598 41.115 32.894 1.00 0.00 ATOM 144 N ALA 39 7.985 41.883 31.877 1.00 0.00 ATOM 145 CA ALA 39 7.355 41.803 30.561 1.00 0.00 ATOM 146 CB ALA 39 7.885 42.903 29.654 1.00 0.00 ATOM 147 O ALA 39 6.738 39.749 29.477 1.00 0.00 ATOM 148 C ALA 39 7.651 40.456 29.911 1.00 0.00 ATOM 149 N LYS 40 8.932 40.107 29.847 1.00 0.00 ATOM 150 CA LYS 40 9.353 38.838 29.257 1.00 0.00 ATOM 151 CB LYS 40 10.872 38.681 29.352 1.00 0.00 ATOM 152 CG LYS 40 11.651 39.617 28.441 1.00 0.00 ATOM 153 CD LYS 40 13.149 39.405 28.585 1.00 0.00 ATOM 154 CE LYS 40 13.929 40.358 27.693 1.00 0.00 ATOM 155 NZ LYS 40 15.400 40.184 27.847 1.00 0.00 ATOM 156 O LYS 40 8.312 36.685 29.360 1.00 0.00 ATOM 157 C LYS 40 8.704 37.672 29.981 1.00 0.00 ATOM 158 N ARG 41 8.583 37.789 31.297 1.00 0.00 ATOM 159 CA ARG 41 7.980 36.730 32.083 1.00 0.00 ATOM 160 CB ARG 41 7.882 37.142 33.553 1.00 0.00 ATOM 161 CG ARG 41 7.323 36.062 34.464 1.00 0.00 ATOM 162 CD ARG 41 7.167 36.568 35.889 1.00 0.00 ATOM 163 NE ARG 41 6.157 37.621 35.988 1.00 0.00 ATOM 164 CZ ARG 41 4.847 37.401 35.995 1.00 0.00 ATOM 165 NH1 ARG 41 4.004 38.420 36.088 1.00 0.00 ATOM 166 NH2 ARG 41 4.382 36.162 35.908 1.00 0.00 ATOM 167 O ARG 41 6.248 35.251 31.367 1.00 0.00 ATOM 168 C ARG 41 6.581 36.411 31.587 1.00 0.00 ATOM 169 N TYR 42 5.759 37.436 31.402 1.00 0.00 ATOM 170 CA TYR 42 4.404 37.225 30.914 1.00 0.00 ATOM 171 CB TYR 42 3.653 38.555 30.823 1.00 0.00 ATOM 172 CG TYR 42 3.308 39.158 32.165 1.00 0.00 ATOM 173 CD1 TYR 42 4.088 40.169 32.714 1.00 0.00 ATOM 174 CD2 TYR 42 2.204 38.714 32.881 1.00 0.00 ATOM 175 CE1 TYR 42 3.780 40.726 33.939 1.00 0.00 ATOM 176 CE2 TYR 42 1.880 39.259 34.110 1.00 0.00 ATOM 177 CZ TYR 42 2.681 40.273 34.636 1.00 0.00 ATOM 178 OH TYR 42 2.372 40.825 35.858 1.00 0.00 ATOM 179 O TYR 42 3.861 35.531 29.296 1.00 0.00 ATOM 180 C TYR 42 4.447 36.588 29.528 1.00 0.00 ATOM 181 N MET 43 5.150 37.230 28.608 1.00 0.00 ATOM 182 CA MET 43 5.254 36.715 27.252 1.00 0.00 ATOM 183 CB MET 43 6.270 37.526 26.447 1.00 0.00 ATOM 184 CG MET 43 6.429 37.069 25.006 1.00 0.00 ATOM 185 SD MET 43 7.629 38.056 24.090 1.00 0.00 ATOM 186 CE MET 43 6.777 39.628 24.002 1.00 0.00 ATOM 187 O MET 43 4.963 34.356 26.885 1.00 0.00 ATOM 188 C MET 43 5.704 35.258 27.286 1.00 0.00 ATOM 189 N GLN 44 6.917 35.038 27.789 1.00 0.00 ATOM 190 CA GLN 44 7.501 33.705 27.892 1.00 0.00 ATOM 191 CB GLN 44 8.984 33.796 28.259 1.00 0.00 ATOM 192 CG GLN 44 9.848 34.450 27.194 1.00 0.00 ATOM 193 CD GLN 44 11.282 34.643 27.646 1.00 0.00 ATOM 194 OE1 GLN 44 11.608 34.440 28.815 1.00 0.00 ATOM 195 NE2 GLN 44 12.146 35.039 26.718 1.00 0.00 ATOM 196 O GLN 44 7.398 32.225 29.776 1.00 0.00 ATOM 197 C GLN 44 6.775 32.906 28.970 1.00 0.00 ATOM 198 N GLN 45 3.032 32.206 28.132 1.00 0.00 ATOM 199 CA GLN 45 1.715 32.044 27.541 1.00 0.00 ATOM 200 CB GLN 45 0.711 31.572 28.595 1.00 0.00 ATOM 201 CG GLN 45 0.993 30.183 29.144 1.00 0.00 ATOM 202 CD GLN 45 0.756 29.092 28.117 1.00 0.00 ATOM 203 OE1 GLN 45 -0.256 29.095 27.415 1.00 0.00 ATOM 204 NE2 GLN 45 1.691 28.154 28.025 1.00 0.00 ATOM 205 O GLN 45 0.979 33.394 25.712 1.00 0.00 ATOM 206 C GLN 45 1.126 33.304 26.934 1.00 0.00 ATOM 207 N TYR 46 0.787 34.266 27.792 1.00 0.00 ATOM 208 CA TYR 46 0.202 35.543 27.383 1.00 0.00 ATOM 209 CB TYR 46 0.378 36.591 28.483 1.00 0.00 ATOM 210 CG TYR 46 -0.428 36.310 29.732 1.00 0.00 ATOM 211 CD1 TYR 46 0.175 35.774 30.863 1.00 0.00 ATOM 212 CD2 TYR 46 -1.790 36.582 29.774 1.00 0.00 ATOM 213 CE1 TYR 46 -0.555 35.515 32.008 1.00 0.00 ATOM 214 CE2 TYR 46 -2.534 36.329 30.910 1.00 0.00 ATOM 215 CZ TYR 46 -1.904 35.791 32.032 1.00 0.00 ATOM 216 OH TYR 46 -2.633 35.534 33.171 1.00 0.00 ATOM 217 O TYR 46 2.067 36.286 26.073 1.00 0.00 ATOM 218 C TYR 46 0.852 36.085 26.117 1.00 0.00 ATOM 219 N ASN 47 0.041 36.332 25.092 1.00 0.00 ATOM 220 CA ASN 47 0.564 36.825 23.821 1.00 0.00 ATOM 221 CB ASN 47 -0.215 36.221 22.651 1.00 0.00 ATOM 222 CG ASN 47 0.009 34.727 22.512 1.00 0.00 ATOM 223 ND2 ASN 47 -1.000 34.024 22.012 1.00 0.00 ATOM 224 OD1 ASN 47 1.074 34.215 22.852 1.00 0.00 ATOM 225 O ASN 47 1.090 38.923 22.742 1.00 0.00 ATOM 226 C ASN 47 0.485 38.346 23.654 1.00 0.00 ATOM 227 N ASP 48 -0.255 38.995 24.543 1.00 0.00 ATOM 228 CA ASP 48 -0.385 40.441 24.495 1.00 0.00 ATOM 229 CB ASP 48 -1.750 40.837 23.929 1.00 0.00 ATOM 230 CG ASP 48 -1.891 42.335 23.741 1.00 0.00 ATOM 231 OD1 ASP 48 -0.974 43.074 24.158 1.00 0.00 ATOM 232 OD2 ASP 48 -2.918 42.770 23.180 1.00 0.00 ATOM 233 O ASP 48 -0.943 40.602 26.829 1.00 0.00 ATOM 234 C ASP 48 -0.250 41.015 25.898 1.00 0.00 ATOM 235 N VAL 49 0.671 41.954 26.049 1.00 0.00 ATOM 236 CA VAL 49 0.871 42.596 27.334 1.00 0.00 ATOM 237 CB VAL 49 2.214 42.187 27.967 1.00 0.00 ATOM 238 CG1 VAL 49 2.239 40.691 28.245 1.00 0.00 ATOM 239 CG2 VAL 49 3.367 42.521 27.032 1.00 0.00 ATOM 240 O VAL 49 1.161 44.575 25.987 1.00 0.00 ATOM 241 C VAL 49 0.857 44.096 27.096 1.00 0.00 ATOM 242 N GLU 50 0.497 44.836 28.135 1.00 0.00 ATOM 243 CA GLU 50 0.437 46.284 28.032 1.00 0.00 ATOM 244 CB GLU 50 -0.992 46.779 28.265 1.00 0.00 ATOM 245 CG GLU 50 -1.976 46.369 27.181 1.00 0.00 ATOM 246 CD GLU 50 -3.358 46.952 27.400 1.00 0.00 ATOM 247 OE1 GLU 50 -3.536 47.711 28.376 1.00 0.00 ATOM 248 OE2 GLU 50 -4.264 46.649 26.595 1.00 0.00 ATOM 249 O GLU 50 1.214 46.725 30.258 1.00 0.00 ATOM 250 C GLU 50 1.333 46.962 29.053 1.00 0.00 ATOM 251 N LEU 51 2.230 47.805 28.555 1.00 0.00 ATOM 252 CA LEU 51 3.136 48.550 29.414 1.00 0.00 ATOM 253 CB LEU 51 4.500 48.715 28.739 1.00 0.00 ATOM 254 CG LEU 51 5.249 47.424 28.399 1.00 0.00 ATOM 255 CD1 LEU 51 6.552 47.733 27.678 1.00 0.00 ATOM 256 CD2 LEU 51 5.577 46.644 29.663 1.00 0.00 ATOM 257 O LEU 51 2.330 50.723 28.750 1.00 0.00 ATOM 258 C LEU 51 2.526 49.933 29.680 1.00 0.00 ATOM 259 N SER 52 2.211 50.212 30.947 1.00 0.00 ATOM 260 CA SER 52 1.603 51.483 31.352 1.00 0.00 ATOM 261 CB SER 52 0.309 51.234 32.131 1.00 0.00 ATOM 262 OG SER 52 -0.682 50.656 31.300 1.00 0.00 ATOM 263 O SER 52 3.163 51.850 33.148 1.00 0.00 ATOM 264 C SER 52 2.483 52.354 32.251 1.00 0.00 ATOM 265 N ALA 53 2.438 53.665 32.036 1.00 0.00 ATOM 266 CA ALA 53 3.219 54.601 32.848 1.00 0.00 ATOM 267 CB ALA 53 4.657 54.655 32.357 1.00 0.00 ATOM 268 O ALA 53 1.815 56.366 31.992 1.00 0.00 ATOM 269 C ALA 53 2.676 56.036 32.808 1.00 0.00 ATOM 270 N LEU 54 3.194 56.878 33.703 1.00 0.00 ATOM 271 CA LEU 54 2.805 58.287 33.777 1.00 0.00 ATOM 272 CB LEU 54 1.685 58.483 34.802 1.00 0.00 ATOM 273 CG LEU 54 1.999 58.052 36.235 1.00 0.00 ATOM 274 CD1 LEU 54 2.718 59.160 36.987 1.00 0.00 ATOM 275 CD2 LEU 54 0.718 57.721 36.988 1.00 0.00 ATOM 276 O LEU 54 4.946 58.683 34.793 1.00 0.00 ATOM 277 C LEU 54 3.984 59.158 34.190 1.00 0.00 ATOM 278 N GLY 55 3.904 60.443 33.870 1.00 0.00 ATOM 279 CA GLY 55 4.974 61.344 34.234 1.00 0.00 ATOM 280 O GLY 55 6.295 60.344 32.514 1.00 0.00 ATOM 281 C GLY 55 6.280 60.918 33.604 1.00 0.00 ATOM 282 N MET 56 7.383 61.183 34.292 1.00 0.00 ATOM 283 CA MET 56 8.699 60.847 33.768 1.00 0.00 ATOM 284 CB MET 56 9.787 61.211 34.780 1.00 0.00 ATOM 285 CG MET 56 9.966 62.707 34.989 1.00 0.00 ATOM 286 SD MET 56 10.437 63.568 33.477 1.00 0.00 ATOM 287 CE MET 56 12.073 62.892 33.198 1.00 0.00 ATOM 288 O MET 56 9.729 59.011 32.645 1.00 0.00 ATOM 289 C MET 56 8.878 59.373 33.451 1.00 0.00 ATOM 290 N ALA 57 8.074 58.518 34.067 1.00 0.00 ATOM 291 CA ALA 57 8.188 57.084 33.832 1.00 0.00 ATOM 292 CB ALA 57 7.222 56.322 34.726 1.00 0.00 ATOM 293 O ALA 57 8.237 55.613 31.917 1.00 0.00 ATOM 294 C ALA 57 7.872 56.700 32.384 1.00 0.00 ATOM 295 N ILE 58 7.194 57.595 31.674 1.00 0.00 ATOM 296 CA ILE 58 6.831 57.353 30.283 1.00 0.00 ATOM 297 CB ILE 58 6.233 58.612 29.629 1.00 0.00 ATOM 298 CG1 ILE 58 4.869 58.937 30.243 1.00 0.00 ATOM 299 CG2 ILE 58 6.049 58.399 28.134 1.00 0.00 ATOM 300 CD1 ILE 58 4.332 60.296 29.856 1.00 0.00 ATOM 301 O ILE 58 7.935 56.052 28.604 1.00 0.00 ATOM 302 C ILE 58 8.046 56.937 29.444 1.00 0.00 ATOM 303 N ALA 59 9.203 57.547 29.688 1.00 0.00 ATOM 304 CA ALA 59 10.429 57.210 28.950 1.00 0.00 ATOM 305 CB ALA 59 11.569 58.127 29.367 1.00 0.00 ATOM 306 O ALA 59 11.202 55.025 28.298 1.00 0.00 ATOM 307 C ALA 59 10.861 55.769 29.216 1.00 0.00 ATOM 308 N THR 60 10.854 55.379 30.482 1.00 0.00 ATOM 309 CA THR 60 11.236 54.025 30.854 1.00 0.00 ATOM 310 CB THR 60 11.162 53.815 32.377 1.00 0.00 ATOM 311 CG2 THR 60 11.528 52.383 32.737 1.00 0.00 ATOM 312 OG1 THR 60 12.078 54.705 33.029 1.00 0.00 ATOM 313 O THR 60 10.725 51.953 29.719 1.00 0.00 ATOM 314 C THR 60 10.294 53.011 30.185 1.00 0.00 ATOM 315 N VAL 61 9.005 53.343 30.146 1.00 0.00 ATOM 316 CA VAL 61 8.004 52.474 29.533 1.00 0.00 ATOM 317 CB VAL 61 6.606 53.121 29.555 1.00 0.00 ATOM 318 CG1 VAL 61 5.623 52.293 28.742 1.00 0.00 ATOM 319 CG2 VAL 61 6.087 53.216 30.983 1.00 0.00 ATOM 320 O VAL 61 8.304 51.070 27.607 1.00 0.00 ATOM 321 C VAL 61 8.385 52.203 28.084 1.00 0.00 ATOM 322 N VAL 62 8.793 53.250 27.378 1.00 0.00 ATOM 323 CA VAL 62 9.198 53.074 26.001 1.00 0.00 ATOM 324 CB VAL 62 9.474 54.427 25.318 1.00 0.00 ATOM 325 CG1 VAL 62 10.076 54.212 23.937 1.00 0.00 ATOM 326 CG2 VAL 62 8.186 55.218 25.163 1.00 0.00 ATOM 327 O VAL 62 10.583 51.300 25.205 1.00 0.00 ATOM 328 C VAL 62 10.472 52.235 25.993 1.00 0.00 ATOM 329 N THR 63 11.422 52.566 26.872 1.00 0.00 ATOM 330 CA THR 63 12.685 51.833 26.949 1.00 0.00 ATOM 331 CB THR 63 13.540 52.304 28.140 1.00 0.00 ATOM 332 CG2 THR 63 14.836 51.512 28.211 1.00 0.00 ATOM 333 OG1 THR 63 13.853 53.694 27.984 1.00 0.00 ATOM 334 O THR 63 12.901 49.494 26.421 1.00 0.00 ATOM 335 C THR 63 12.361 50.354 27.120 1.00 0.00 ATOM 336 N VAL 64 11.477 50.063 28.063 1.00 0.00 ATOM 337 CA VAL 64 11.102 48.689 28.333 1.00 0.00 ATOM 338 CB VAL 64 9.945 48.607 29.346 1.00 0.00 ATOM 339 CG1 VAL 64 9.430 47.181 29.454 1.00 0.00 ATOM 340 CG2 VAL 64 10.408 49.057 30.723 1.00 0.00 ATOM 341 O VAL 64 11.157 46.932 26.709 1.00 0.00 ATOM 342 C VAL 64 10.656 47.995 27.060 1.00 0.00 ATOM 343 N THR 65 9.700 48.597 26.368 1.00 0.00 ATOM 344 CA THR 65 9.215 48.018 25.132 1.00 0.00 ATOM 345 CB THR 65 8.218 48.955 24.424 1.00 0.00 ATOM 346 CG2 THR 65 7.739 48.336 23.120 1.00 0.00 ATOM 347 OG1 THR 65 7.086 49.182 25.272 1.00 0.00 ATOM 348 O THR 65 10.535 46.630 23.696 1.00 0.00 ATOM 349 C THR 65 10.368 47.752 24.168 1.00 0.00 ATOM 350 N GLU 66 11.176 48.768 23.890 1.00 0.00 ATOM 351 CA GLU 66 12.295 48.594 22.972 1.00 0.00 ATOM 352 CB GLU 66 13.113 49.882 22.873 1.00 0.00 ATOM 353 CG GLU 66 14.278 49.805 21.900 1.00 0.00 ATOM 354 CD GLU 66 15.044 51.110 21.803 1.00 0.00 ATOM 355 OE1 GLU 66 14.655 52.080 22.488 1.00 0.00 ATOM 356 OE2 GLU 66 16.034 51.164 21.042 1.00 0.00 ATOM 357 O GLU 66 13.624 46.622 22.578 1.00 0.00 ATOM 358 C GLU 66 13.273 47.484 23.386 1.00 0.00 ATOM 359 N ILE 67 13.713 47.499 24.638 1.00 0.00 ATOM 360 CA ILE 67 14.633 46.476 25.104 1.00 0.00 ATOM 361 CB ILE 67 14.921 46.621 26.608 1.00 0.00 ATOM 362 CG1 ILE 67 15.632 47.946 26.891 1.00 0.00 ATOM 363 CG2 ILE 67 15.811 45.485 27.092 1.00 0.00 ATOM 364 CD1 ILE 67 16.979 48.073 26.214 1.00 0.00 ATOM 365 O ILE 67 14.734 44.185 24.376 1.00 0.00 ATOM 366 C ILE 67 14.050 45.086 24.869 1.00 0.00 ATOM 367 N LEU 68 12.777 44.917 25.208 1.00 0.00 ATOM 368 CA LEU 68 12.114 43.640 25.019 1.00 0.00 ATOM 369 CB LEU 68 10.658 43.717 25.483 1.00 0.00 ATOM 370 CG LEU 68 9.818 42.453 25.293 1.00 0.00 ATOM 371 CD1 LEU 68 10.382 41.303 26.115 1.00 0.00 ATOM 372 CD2 LEU 68 8.382 42.691 25.733 1.00 0.00 ATOM 373 O LEU 68 12.660 42.183 23.195 1.00 0.00 ATOM 374 C LEU 68 12.120 43.227 23.550 1.00 0.00 ATOM 375 N LYS 69 11.546 44.060 22.694 1.00 0.00 ATOM 376 CA LYS 69 11.465 43.746 21.271 1.00 0.00 ATOM 377 CB LYS 69 10.683 44.830 20.526 1.00 0.00 ATOM 378 CG LYS 69 10.509 44.561 19.040 1.00 0.00 ATOM 379 CD LYS 69 9.659 45.634 18.381 1.00 0.00 ATOM 380 CE LYS 69 9.510 45.380 16.889 1.00 0.00 ATOM 381 NZ LYS 69 8.691 46.432 16.226 1.00 0.00 ATOM 382 O LYS 69 13.008 42.801 19.691 1.00 0.00 ATOM 383 C LYS 69 12.827 43.637 20.576 1.00 0.00 ATOM 384 N ASN 70 13.791 44.453 20.981 1.00 0.00 ATOM 385 CA ASN 70 15.105 44.429 20.335 1.00 0.00 ATOM 386 CB ASN 70 15.732 45.825 20.344 1.00 0.00 ATOM 387 CG ASN 70 15.037 46.782 19.395 1.00 0.00 ATOM 388 ND2 ASN 70 15.258 48.076 19.596 1.00 0.00 ATOM 389 OD1 ASN 70 14.312 46.361 18.495 1.00 0.00 ATOM 390 O ASN 70 16.778 42.716 20.198 1.00 0.00 ATOM 391 C ASN 70 16.203 43.524 20.922 1.00 0.00 ATOM 392 N ASN 71 16.490 43.631 22.217 1.00 0.00 ATOM 393 CA ASN 71 17.547 42.814 22.819 1.00 0.00 ATOM 394 CB ASN 71 18.146 43.524 24.036 1.00 0.00 ATOM 395 CG ASN 71 18.962 44.744 23.655 1.00 0.00 ATOM 396 ND2 ASN 71 19.050 45.704 24.569 1.00 0.00 ATOM 397 OD1 ASN 71 19.504 44.821 22.553 1.00 0.00 ATOM 398 O ASN 71 18.070 40.659 23.706 1.00 0.00 ATOM 399 C ASN 71 17.183 41.422 23.338 1.00 0.00 ATOM 400 N GLY 72 15.905 41.075 23.386 1.00 0.00 ATOM 401 CA GLY 72 15.547 39.761 23.898 1.00 0.00 ATOM 402 O GLY 72 14.785 37.714 22.945 1.00 0.00 ATOM 403 C GLY 72 14.690 38.939 22.956 1.00 0.00 ATOM 404 N PHE 73 13.843 39.602 22.178 1.00 0.00 ATOM 405 CA PHE 73 12.970 38.896 21.244 1.00 0.00 ATOM 406 CB PHE 73 11.538 38.845 21.781 1.00 0.00 ATOM 407 CG PHE 73 11.421 38.203 23.135 1.00 0.00 ATOM 408 CD1 PHE 73 11.371 38.977 24.281 1.00 0.00 ATOM 409 CD2 PHE 73 11.362 36.827 23.262 1.00 0.00 ATOM 410 CE1 PHE 73 11.262 38.388 25.527 1.00 0.00 ATOM 411 CE2 PHE 73 11.254 36.237 24.506 1.00 0.00 ATOM 412 CZ PHE 73 11.204 37.011 25.635 1.00 0.00 ATOM 413 O PHE 73 11.870 39.879 19.354 1.00 0.00 ATOM 414 C PHE 73 12.938 39.583 19.883 1.00 0.00 ATOM 415 N ALA 74 4.378 46.164 18.037 1.00 0.00 ATOM 416 CA ALA 74 3.593 47.101 18.818 1.00 0.00 ATOM 417 CB ALA 74 4.202 48.492 18.747 1.00 0.00 ATOM 418 O ALA 74 2.005 47.365 17.038 1.00 0.00 ATOM 419 C ALA 74 2.190 47.111 18.228 1.00 0.00 ATOM 420 N VAL 75 1.202 46.795 19.051 1.00 0.00 ATOM 421 CA VAL 75 -0.162 46.764 18.567 1.00 0.00 ATOM 422 CB VAL 75 -1.042 45.830 19.419 1.00 0.00 ATOM 423 CG1 VAL 75 -2.495 45.916 18.976 1.00 0.00 ATOM 424 CG2 VAL 75 -0.581 44.387 19.274 1.00 0.00 ATOM 425 O VAL 75 -1.436 48.563 17.637 1.00 0.00 ATOM 426 C VAL 75 -0.803 48.142 18.602 1.00 0.00 ATOM 427 N GLU 76 -0.640 48.842 19.717 1.00 0.00 ATOM 428 CA GLU 76 -1.214 50.165 19.865 1.00 0.00 ATOM 429 CB GLU 76 -2.695 50.067 20.233 1.00 0.00 ATOM 430 CG GLU 76 -3.401 51.411 20.331 1.00 0.00 ATOM 431 CD GLU 76 -4.868 51.274 20.685 1.00 0.00 ATOM 432 OE1 GLU 76 -5.332 50.129 20.868 1.00 0.00 ATOM 433 OE2 GLU 76 -5.556 52.313 20.778 1.00 0.00 ATOM 434 O GLU 76 -0.084 50.424 21.977 1.00 0.00 ATOM 435 C GLU 76 -0.515 50.972 20.962 1.00 0.00 ATOM 436 N LYS 77 -0.391 52.276 20.727 1.00 0.00 ATOM 437 CA LYS 77 0.214 53.186 21.683 1.00 0.00 ATOM 438 CB LYS 77 1.462 53.838 21.086 1.00 0.00 ATOM 439 CG LYS 77 2.604 52.868 20.824 1.00 0.00 ATOM 440 CD LYS 77 3.824 53.588 20.271 1.00 0.00 ATOM 441 CE LYS 77 4.964 52.619 20.009 1.00 0.00 ATOM 442 NZ LYS 77 6.169 53.312 19.476 1.00 0.00 ATOM 443 O LYS 77 -1.558 54.648 21.047 1.00 0.00 ATOM 444 C LYS 77 -0.869 54.206 21.961 1.00 0.00 ATOM 445 N LYS 78 -1.021 54.586 23.218 1.00 0.00 ATOM 446 CA LYS 78 -2.057 55.530 23.580 1.00 0.00 ATOM 447 CB LYS 78 -3.303 54.795 24.076 1.00 0.00 ATOM 448 CG LYS 78 -4.490 55.702 24.357 1.00 0.00 ATOM 449 CD LYS 78 -5.735 54.896 24.690 1.00 0.00 ATOM 450 CE LYS 78 -6.913 55.804 25.002 1.00 0.00 ATOM 451 NZ LYS 78 -8.152 55.027 25.288 1.00 0.00 ATOM 452 O LYS 78 -1.152 55.978 25.751 1.00 0.00 ATOM 453 C LYS 78 -1.555 56.445 24.684 1.00 0.00 ATOM 454 N ILE 79 -1.579 57.747 24.426 1.00 0.00 ATOM 455 CA ILE 79 -1.134 58.719 25.407 1.00 0.00 ATOM 456 CB ILE 79 -0.117 59.704 24.801 1.00 0.00 ATOM 457 CG1 ILE 79 -0.747 60.471 23.635 1.00 0.00 ATOM 458 CG2 ILE 79 1.105 58.960 24.285 1.00 0.00 ATOM 459 CD1 ILE 79 0.110 61.605 23.117 1.00 0.00 ATOM 460 O ILE 79 -3.317 59.642 25.189 1.00 0.00 ATOM 461 C ILE 79 -2.332 59.498 25.903 1.00 0.00 ATOM 462 N MET 80 -2.258 60.006 27.126 1.00 0.00 ATOM 463 CA MET 80 -3.379 60.762 27.651 1.00 0.00 ATOM 464 CB MET 80 -4.495 59.818 28.106 1.00 0.00 ATOM 465 CG MET 80 -4.105 58.907 29.259 1.00 0.00 ATOM 466 SD MET 80 -5.417 57.756 29.710 1.00 0.00 ATOM 467 CE MET 80 -5.278 56.551 28.393 1.00 0.00 ATOM 468 O MET 80 -1.867 61.966 29.057 1.00 0.00 ATOM 469 C MET 80 -3.029 61.628 28.843 1.00 0.00 ATOM 470 N THR 81 -4.044 62.000 29.614 1.00 0.00 ATOM 471 CA THR 81 -3.826 62.819 30.793 1.00 0.00 ATOM 472 CB THR 81 -4.114 64.304 30.510 1.00 0.00 ATOM 473 CG2 THR 81 -5.585 64.506 30.173 1.00 0.00 ATOM 474 OG1 THR 81 -3.792 65.087 31.666 1.00 0.00 ATOM 475 O THR 81 -5.898 62.075 31.722 1.00 0.00 ATOM 476 C THR 81 -4.728 62.383 31.927 1.00 0.00 ATOM 477 N SER 82 -4.159 62.364 33.124 1.00 0.00 ATOM 478 CA SER 82 -4.858 61.964 34.326 1.00 0.00 ATOM 479 CB SER 82 -4.157 60.772 34.981 1.00 0.00 ATOM 480 OG SER 82 -4.799 60.403 36.189 1.00 0.00 ATOM 481 O SER 82 -3.851 63.776 35.531 1.00 0.00 ATOM 482 C SER 82 -4.876 63.127 35.303 1.00 0.00 ATOM 483 N ILE 83 -6.040 63.394 35.879 1.00 0.00 ATOM 484 CA ILE 83 -6.175 64.480 36.843 1.00 0.00 ATOM 485 CB ILE 83 -7.650 64.861 37.060 1.00 0.00 ATOM 486 CG1 ILE 83 -8.260 65.401 35.765 1.00 0.00 ATOM 487 CG2 ILE 83 -7.771 65.935 38.132 1.00 0.00 ATOM 488 CD1 ILE 83 -9.764 65.559 35.816 1.00 0.00 ATOM 489 O ILE 83 -5.757 62.912 38.616 1.00 0.00 ATOM 490 C ILE 83 -5.586 64.050 38.184 1.00 0.00 ATOM 491 N VAL 84 -4.882 64.969 38.831 1.00 0.00 ATOM 492 CA VAL 84 -4.244 64.691 40.106 1.00 0.00 ATOM 493 CB VAL 84 -2.711 64.640 39.969 1.00 0.00 ATOM 494 CG1 VAL 84 -2.064 64.397 41.324 1.00 0.00 ATOM 495 CG2 VAL 84 -2.297 63.517 39.030 1.00 0.00 ATOM 496 O VAL 84 -4.689 66.956 40.748 1.00 0.00 ATOM 497 C VAL 84 -4.599 65.781 41.108 1.00 0.00 ATOM 498 N ASP 85 -4.805 65.386 42.362 1.00 0.00 ATOM 499 CA ASP 85 -5.111 66.334 43.416 1.00 0.00 ATOM 500 CB ASP 85 -6.458 66.001 44.062 1.00 0.00 ATOM 501 CG ASP 85 -7.616 66.124 43.092 1.00 0.00 ATOM 502 OD1 ASP 85 -7.783 67.213 42.503 1.00 0.00 ATOM 503 OD2 ASP 85 -8.356 65.134 42.918 1.00 0.00 ATOM 504 O ASP 85 -3.664 65.148 44.925 1.00 0.00 ATOM 505 C ASP 85 -3.996 66.241 44.459 1.00 0.00 ATOM 506 N ILE 86 -3.424 67.386 44.818 1.00 0.00 ATOM 507 CA ILE 86 -2.339 67.445 45.794 1.00 0.00 ATOM 508 CB ILE 86 -1.424 68.658 45.548 1.00 0.00 ATOM 509 CG1 ILE 86 -2.207 69.961 45.716 1.00 0.00 ATOM 510 CG2 ILE 86 -0.853 68.617 44.139 1.00 0.00 ATOM 511 CD1 ILE 86 -1.337 71.199 45.729 1.00 0.00 ATOM 512 O ILE 86 -4.048 67.696 47.469 1.00 0.00 ATOM 513 C ILE 86 -2.845 67.559 47.234 1.00 0.00 ATOM 514 N LYS 87 -1.922 67.514 48.193 1.00 0.00 ATOM 515 CA LYS 87 -2.279 67.619 49.603 1.00 0.00 ATOM 516 CB LYS 87 -1.022 67.636 50.475 1.00 0.00 ATOM 517 CG LYS 87 -0.289 66.306 50.531 1.00 0.00 ATOM 518 CD LYS 87 0.945 66.394 51.414 1.00 0.00 ATOM 519 CE LYS 87 1.693 65.070 51.452 1.00 0.00 ATOM 520 NZ LYS 87 2.923 65.150 52.286 1.00 0.00 ATOM 521 O LYS 87 -4.014 68.875 50.661 1.00 0.00 ATOM 522 C LYS 87 -3.062 68.892 49.887 1.00 0.00 ATOM 523 N ASP 88 -2.651 70.002 49.277 1.00 0.00 ATOM 524 CA ASP 88 -3.343 71.261 49.500 1.00 0.00 ATOM 525 CB ASP 88 -2.441 72.441 49.126 1.00 0.00 ATOM 526 CG ASP 88 -1.303 72.639 50.107 1.00 0.00 ATOM 527 OD1 ASP 88 -1.368 72.064 51.215 1.00 0.00 ATOM 528 OD2 ASP 88 -0.348 73.369 49.769 1.00 0.00 ATOM 529 O ASP 88 -5.229 72.441 48.642 1.00 0.00 ATOM 530 C ASP 88 -4.606 71.385 48.681 1.00 0.00 ATOM 534 N GLY 92 -4.988 70.303 48.022 1.00 0.00 ATOM 535 CA GLY 92 -6.213 70.316 47.248 1.00 0.00 ATOM 536 O GLY 92 -7.239 70.895 45.196 1.00 0.00 ATOM 537 C GLY 92 -6.199 70.894 45.848 1.00 0.00 ATOM 538 N ARG 93 -5.058 71.385 45.370 1.00 0.00 ATOM 539 CA ARG 93 -5.013 71.945 44.024 1.00 0.00 ATOM 540 CB ARG 93 -3.786 72.845 43.862 1.00 0.00 ATOM 541 CG ARG 93 -3.832 74.114 44.695 1.00 0.00 ATOM 542 CD ARG 93 -2.615 74.988 44.439 1.00 0.00 ATOM 543 NE ARG 93 -2.667 76.235 45.200 1.00 0.00 ATOM 544 CZ ARG 93 -1.733 77.179 45.150 1.00 0.00 ATOM 545 NH1 ARG 93 -1.865 78.281 45.876 1.00 0.00 ATOM 546 NH2 ARG 93 -0.670 77.021 44.373 1.00 0.00 ATOM 547 O ARG 93 -4.407 69.765 43.221 1.00 0.00 ATOM 548 C ARG 93 -4.935 70.850 42.976 1.00 0.00 ATOM 549 N PRO 94 -5.468 71.126 41.799 1.00 0.00 ATOM 550 CA PRO 94 -5.442 70.128 40.752 1.00 0.00 ATOM 551 CB PRO 94 -6.851 70.175 40.160 1.00 0.00 ATOM 552 CG PRO 94 -7.243 71.611 40.243 1.00 0.00 ATOM 553 CD PRO 94 -6.645 72.135 41.518 1.00 0.00 ATOM 554 O PRO 94 -3.918 71.471 39.468 1.00 0.00 ATOM 555 C PRO 94 -4.423 70.363 39.656 1.00 0.00 ATOM 556 N VAL 95 -4.119 69.282 38.949 1.00 0.00 ATOM 557 CA VAL 95 -3.173 69.302 37.853 1.00 0.00 ATOM 558 CB VAL 95 -1.721 69.382 38.363 1.00 0.00 ATOM 559 CG1 VAL 95 -1.490 70.686 39.109 1.00 0.00 ATOM 560 CG2 VAL 95 -1.423 68.227 39.308 1.00 0.00 ATOM 561 O VAL 95 -4.240 67.213 37.331 1.00 0.00 ATOM 562 C VAL 95 -3.352 68.017 37.050 1.00 0.00 ATOM 563 N GLN 96 -2.506 67.826 36.049 1.00 0.00 ATOM 564 CA GLN 96 -2.593 66.641 35.218 1.00 0.00 ATOM 565 CB GLN 96 -3.241 66.975 33.874 1.00 0.00 ATOM 566 CG GLN 96 -4.689 67.427 33.977 1.00 0.00 ATOM 567 CD GLN 96 -5.313 67.695 32.621 1.00 0.00 ATOM 568 OE1 GLN 96 -4.684 67.484 31.585 1.00 0.00 ATOM 569 NE2 GLN 96 -6.555 68.163 32.627 1.00 0.00 ATOM 570 O GLN 96 -0.206 66.806 34.967 1.00 0.00 ATOM 571 C GLN 96 -1.202 66.075 34.960 1.00 0.00 ATOM 572 N LYS 97 -1.141 64.766 34.752 1.00 0.00 ATOM 573 CA LYS 97 0.116 64.098 34.448 1.00 0.00 ATOM 574 CB LYS 97 0.521 63.172 35.597 1.00 0.00 ATOM 575 CG LYS 97 0.850 63.896 36.891 1.00 0.00 ATOM 576 CD LYS 97 1.285 62.921 37.972 1.00 0.00 ATOM 577 CE LYS 97 1.545 63.637 39.289 1.00 0.00 ATOM 578 NZ LYS 97 1.971 62.694 40.360 1.00 0.00 ATOM 579 O LYS 97 -1.267 62.821 32.978 1.00 0.00 ATOM 580 C LYS 97 -0.157 63.320 33.187 1.00 0.00 ATOM 581 N ALA 98 0.842 63.224 32.329 1.00 0.00 ATOM 582 CA ALA 98 0.641 62.491 31.102 1.00 0.00 ATOM 583 CB ALA 98 1.705 62.864 30.083 1.00 0.00 ATOM 584 O ALA 98 1.320 60.582 32.375 1.00 0.00 ATOM 585 C ALA 98 0.725 61.014 31.388 1.00 0.00 ATOM 586 N LYS 99 0.097 60.237 30.527 1.00 0.00 ATOM 587 CA LYS 99 0.097 58.799 30.671 1.00 0.00 ATOM 588 CB LYS 99 -1.260 58.312 31.185 1.00 0.00 ATOM 589 CG LYS 99 -1.606 58.802 32.582 1.00 0.00 ATOM 590 CD LYS 99 -2.970 58.295 33.021 1.00 0.00 ATOM 591 CE LYS 99 -2.927 56.813 33.357 1.00 0.00 ATOM 592 NZ LYS 99 -4.198 56.347 33.977 1.00 0.00 ATOM 593 O LYS 99 0.239 58.884 28.278 1.00 0.00 ATOM 594 C LYS 99 0.376 58.211 29.304 1.00 0.00 ATOM 595 N ILE 100 0.776 56.950 29.297 1.00 0.00 ATOM 596 CA ILE 100 1.038 56.253 28.055 1.00 0.00 ATOM 597 CB ILE 100 2.527 56.332 27.668 1.00 0.00 ATOM 598 CG1 ILE 100 2.739 55.793 26.251 1.00 0.00 ATOM 599 CG2 ILE 100 3.372 55.508 28.628 1.00 0.00 ATOM 600 CD1 ILE 100 4.092 56.130 25.665 1.00 0.00 ATOM 601 O ILE 100 0.721 54.273 29.357 1.00 0.00 ATOM 602 C ILE 100 0.647 54.808 28.249 1.00 0.00 ATOM 603 N GLU 101 0.200 54.188 27.173 1.00 0.00 ATOM 604 CA GLU 101 -0.185 52.787 27.206 1.00 0.00 ATOM 605 CB GLU 101 -1.706 52.650 27.303 1.00 0.00 ATOM 606 CG GLU 101 -2.198 51.213 27.366 1.00 0.00 ATOM 607 CD GLU 101 -3.708 51.118 27.457 1.00 0.00 ATOM 608 OE1 GLU 101 -4.367 52.176 27.507 1.00 0.00 ATOM 609 OE2 GLU 101 -4.230 49.984 27.477 1.00 0.00 ATOM 610 O GLU 101 -0.135 52.515 24.836 1.00 0.00 ATOM 611 C GLU 101 0.316 52.154 25.921 1.00 0.00 ATOM 612 N ILE 102 1.269 51.237 26.039 1.00 0.00 ATOM 613 CA ILE 102 1.815 50.565 24.870 1.00 0.00 ATOM 614 CB ILE 102 3.348 50.690 24.813 1.00 0.00 ATOM 615 CG1 ILE 102 3.762 52.161 24.732 1.00 0.00 ATOM 616 CG2 ILE 102 3.895 49.967 23.591 1.00 0.00 ATOM 617 CD1 ILE 102 5.249 52.386 24.885 1.00 0.00 ATOM 618 O ILE 102 1.860 48.365 25.833 1.00 0.00 ATOM 619 C ILE 102 1.453 49.086 24.919 1.00 0.00 ATOM 620 N THR 103 0.660 48.644 23.945 1.00 0.00 ATOM 621 CA THR 103 0.242 47.250 23.875 1.00 0.00 ATOM 622 CB THR 103 -1.225 47.122 23.427 1.00 0.00 ATOM 623 CG2 THR 103 -1.631 45.659 23.343 1.00 0.00 ATOM 624 OG1 THR 103 -2.075 47.787 24.369 1.00 0.00 ATOM 625 O THR 103 1.203 46.910 21.702 1.00 0.00 ATOM 626 C THR 103 1.126 46.533 22.874 1.00 0.00 ATOM 627 N LEU 104 1.814 45.503 23.335 1.00 0.00 ATOM 628 CA LEU 104 2.681 44.767 22.441 1.00 0.00 ATOM 629 CB LEU 104 4.135 44.858 22.909 1.00 0.00 ATOM 630 CG LEU 104 4.733 46.263 22.998 1.00 0.00 ATOM 631 CD1 LEU 104 6.132 46.216 23.590 1.00 0.00 ATOM 632 CD2 LEU 104 4.821 46.898 21.618 1.00 0.00 ATOM 633 O LEU 104 1.650 42.815 23.391 1.00 0.00 ATOM 634 C LEU 104 2.248 43.314 22.427 1.00 0.00 ATOM 635 N VAL 105 2.544 42.634 21.330 1.00 0.00 ATOM 636 CA VAL 105 2.178 41.232 21.217 1.00 0.00 ATOM 637 CB VAL 105 0.807 41.060 20.540 1.00 0.00 ATOM 638 CG1 VAL 105 -0.288 41.697 21.382 1.00 0.00 ATOM 639 CG2 VAL 105 0.803 41.718 19.169 1.00 0.00 ATOM 640 O VAL 105 4.028 41.030 19.691 1.00 0.00 ATOM 641 C VAL 105 3.188 40.451 20.395 1.00 0.00 ATOM 642 N LYS 106 3.106 39.128 20.501 1.00 0.00 ATOM 643 CA LYS 106 3.996 38.237 19.762 1.00 0.00 ATOM 644 CB LYS 106 3.802 36.789 20.216 1.00 0.00 ATOM 645 CG LYS 106 4.238 36.523 21.648 1.00 0.00 ATOM 646 CD LYS 106 4.087 35.053 22.006 1.00 0.00 ATOM 647 CE LYS 106 4.501 34.792 23.445 1.00 0.00 ATOM 648 NZ LYS 106 4.331 33.360 23.821 1.00 0.00 ATOM 649 O LYS 106 2.583 38.069 17.831 1.00 0.00 ATOM 650 C LYS 106 3.703 38.321 18.265 1.00 0.00 TER END