PFRMAT TS TARGET T0453 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 T0453 model 4 Fri Jun 13 13:16:24 2008 MODEL 4 PARENT N/A ATOM 2 N GLU 6 -9.788 4.473 -1.565 1.00 0.00 ATOM 3 CA GLU 6 -9.706 4.904 -2.947 1.00 0.00 ATOM 4 CB GLU 6 -9.781 6.429 -3.037 1.00 0.00 ATOM 5 CG GLU 6 -11.095 7.017 -2.546 1.00 0.00 ATOM 6 CD GLU 6 -11.098 8.532 -2.565 1.00 0.00 ATOM 7 OE1 GLU 6 -10.066 9.125 -2.941 1.00 0.00 ATOM 8 OE2 GLU 6 -12.135 9.128 -2.203 1.00 0.00 ATOM 9 O GLU 6 -7.340 4.281 -2.581 1.00 0.00 ATOM 10 C GLU 6 -8.355 4.366 -3.385 1.00 0.00 ATOM 14 N GLN 9 -5.003 3.960 -10.364 1.00 0.00 ATOM 15 CA GLN 9 -3.975 3.480 -11.307 1.00 0.00 ATOM 16 CB GLN 9 -4.617 2.658 -12.427 1.00 0.00 ATOM 17 CG GLN 9 -3.619 2.036 -13.390 1.00 0.00 ATOM 18 CD GLN 9 -4.281 1.128 -14.409 1.00 0.00 ATOM 19 OE1 GLN 9 -5.504 0.997 -14.434 1.00 0.00 ATOM 20 NE2 GLN 9 -3.471 0.498 -15.251 1.00 0.00 ATOM 21 O GLN 9 -3.863 5.616 -12.445 1.00 0.00 ATOM 22 C GLN 9 -3.235 4.663 -11.940 1.00 0.00 ATOM 23 N ARG 10 -1.908 4.560 -11.977 1.00 0.00 ATOM 24 CA ARG 10 -1.073 5.609 -12.560 1.00 0.00 ATOM 25 CB ARG 10 0.246 5.732 -11.795 1.00 0.00 ATOM 26 CG ARG 10 0.080 5.967 -10.304 1.00 0.00 ATOM 27 CD ARG 10 -0.602 7.297 -10.027 1.00 0.00 ATOM 28 NE ARG 10 0.196 8.429 -10.493 1.00 0.00 ATOM 29 CZ ARG 10 1.168 8.998 -9.788 1.00 0.00 ATOM 30 NH1 ARG 10 1.841 10.024 -10.293 1.00 0.00 ATOM 31 NH2 ARG 10 1.463 8.542 -8.579 1.00 0.00 ATOM 32 O ARG 10 -1.012 4.061 -14.404 1.00 0.00 ATOM 33 C ARG 10 -0.812 5.207 -14.008 1.00 0.00 ATOM 34 N GLU 11 -0.435 6.212 -14.782 1.00 0.00 ATOM 35 CA GLU 11 -0.095 5.993 -16.179 1.00 0.00 ATOM 36 CB GLU 11 0.345 7.303 -16.837 1.00 0.00 ATOM 37 CG GLU 11 -0.783 8.299 -17.049 1.00 0.00 ATOM 38 CD GLU 11 -0.296 9.619 -17.614 1.00 0.00 ATOM 39 OE1 GLU 11 0.932 9.780 -17.774 1.00 0.00 ATOM 40 OE2 GLU 11 -1.142 10.492 -17.898 1.00 0.00 ATOM 41 O GLU 11 1.092 4.340 -17.433 1.00 0.00 ATOM 42 C GLU 11 1.046 4.991 -16.377 1.00 0.00 ATOM 43 N ASP 12 1.944 4.851 -15.396 1.00 0.00 ATOM 44 CA ASP 12 3.038 3.906 -15.554 1.00 0.00 ATOM 45 CB ASP 12 4.260 4.362 -14.753 1.00 0.00 ATOM 46 CG ASP 12 3.998 4.394 -13.260 1.00 0.00 ATOM 47 OD1 ASP 12 2.858 4.094 -12.851 1.00 0.00 ATOM 48 OD2 ASP 12 4.936 4.718 -12.499 1.00 0.00 ATOM 49 O ASP 12 3.527 1.642 -15.019 1.00 0.00 ATOM 50 C ASP 12 2.673 2.524 -15.075 1.00 0.00 ATOM 51 N GLY 13 1.397 2.353 -14.649 1.00 0.00 ATOM 52 CA GLY 13 0.911 1.031 -14.247 1.00 0.00 ATOM 53 O GLY 13 0.494 -0.267 -12.221 1.00 0.00 ATOM 54 C GLY 13 1.038 0.780 -12.750 1.00 0.00 ATOM 55 N SER 14 1.692 1.705 -12.048 1.00 0.00 ATOM 56 CA SER 14 1.714 1.560 -10.574 1.00 0.00 ATOM 57 CB SER 14 2.784 2.468 -9.964 1.00 0.00 ATOM 58 OG SER 14 2.445 3.833 -10.117 1.00 0.00 ATOM 59 O SER 14 -0.474 2.525 -10.747 1.00 0.00 ATOM 60 C SER 14 0.341 1.956 -10.036 1.00 0.00 ATOM 61 N TRP 15 0.079 1.561 -8.802 1.00 0.00 ATOM 62 CA TRP 15 -1.183 1.846 -8.067 1.00 0.00 ATOM 63 CB TRP 15 -1.783 0.555 -7.510 1.00 0.00 ATOM 64 CG TRP 15 -2.264 -0.389 -8.569 1.00 0.00 ATOM 65 CD1 TRP 15 -1.542 -1.375 -9.178 1.00 0.00 ATOM 66 CD2 TRP 15 -3.575 -0.437 -9.146 1.00 0.00 ATOM 67 CE2 TRP 15 -3.574 -1.477 -10.098 1.00 0.00 ATOM 68 CE3 TRP 15 -4.748 0.298 -8.951 1.00 0.00 ATOM 69 NE1 TRP 15 -2.320 -2.035 -10.098 1.00 0.00 ATOM 70 CZ2 TRP 15 -4.702 -1.799 -10.851 1.00 0.00 ATOM 71 CZ3 TRP 15 -5.863 -0.026 -9.701 1.00 0.00 ATOM 72 CH2 TRP 15 -5.835 -1.064 -10.639 1.00 0.00 ATOM 73 O TRP 15 0.099 2.560 -6.244 1.00 0.00 ATOM 74 C TRP 15 -0.875 2.794 -6.922 1.00 0.00 ATOM 75 N LEU 16 -1.712 3.791 -6.663 1.00 0.00 ATOM 76 CA LEU 16 -1.620 4.513 -5.380 1.00 0.00 ATOM 77 CB LEU 16 -1.729 6.021 -5.604 1.00 0.00 ATOM 78 CG LEU 16 -1.699 6.897 -4.350 1.00 0.00 ATOM 79 CD1 LEU 16 -0.352 6.792 -3.653 1.00 0.00 ATOM 80 CD2 LEU 16 -1.935 8.357 -4.708 1.00 0.00 ATOM 81 O LEU 16 -3.944 4.080 -4.919 1.00 0.00 ATOM 82 C LEU 16 -2.770 4.032 -4.501 1.00 0.00 ATOM 83 N VAL 17 -2.469 3.532 -3.322 1.00 0.00 ATOM 84 CA VAL 17 -3.541 2.979 -2.519 1.00 0.00 ATOM 85 CB VAL 17 -3.450 1.444 -2.441 1.00 0.00 ATOM 86 CG1 VAL 17 -3.585 0.830 -3.825 1.00 0.00 ATOM 87 CG2 VAL 17 -2.113 1.018 -1.854 1.00 0.00 ATOM 88 O VAL 17 -2.368 3.735 -0.543 1.00 0.00 ATOM 89 C VAL 17 -3.461 3.534 -1.112 1.00 0.00 ATOM 90 N ASP 18 -4.637 3.753 -0.570 1.00 0.00 ATOM 91 CA ASP 18 -4.762 4.376 0.720 1.00 0.00 ATOM 92 CB ASP 18 -6.218 4.766 0.987 1.00 0.00 ATOM 93 CG ASP 18 -6.662 5.955 0.158 1.00 0.00 ATOM 94 OD1 ASP 18 -5.796 6.601 -0.466 1.00 0.00 ATOM 95 OD2 ASP 18 -7.878 6.240 0.133 1.00 0.00 ATOM 96 O ASP 18 -4.582 2.148 1.672 1.00 0.00 ATOM 97 C ASP 18 -4.299 3.387 1.793 1.00 0.00 ATOM 98 N GLY 19 -3.760 3.914 2.882 1.00 0.00 ATOM 99 CA GLY 19 -3.472 3.117 4.074 1.00 0.00 ATOM 100 O GLY 19 -4.571 1.202 5.121 1.00 0.00 ATOM 101 C GLY 19 -4.696 2.325 4.585 1.00 0.00 ATOM 102 N MET 20 -5.900 2.942 4.458 1.00 0.00 ATOM 103 CA MET 20 -7.117 2.341 4.998 1.00 0.00 ATOM 104 CB MET 20 -8.257 3.361 5.012 1.00 0.00 ATOM 105 CG MET 20 -8.063 4.495 6.004 1.00 0.00 ATOM 106 SD MET 20 -7.965 3.920 7.710 1.00 0.00 ATOM 107 CE MET 20 -9.651 3.381 7.982 1.00 0.00 ATOM 108 O MET 20 -8.543 0.464 4.593 1.00 0.00 ATOM 109 C MET 20 -7.606 1.136 4.191 1.00 0.00 ATOM 110 N VAL 21 -6.946 0.862 3.047 1.00 0.00 ATOM 111 CA VAL 21 -7.431 -0.193 2.160 1.00 0.00 ATOM 112 CB VAL 21 -6.529 -0.350 0.922 1.00 0.00 ATOM 113 CG1 VAL 21 -6.973 -1.540 0.088 1.00 0.00 ATOM 114 CG2 VAL 21 -6.593 0.897 0.054 1.00 0.00 ATOM 115 O VAL 21 -6.468 -1.891 3.558 1.00 0.00 ATOM 116 C VAL 21 -7.453 -1.531 2.921 1.00 0.00 ATOM 117 N SER 22 -8.568 -2.255 2.765 1.00 0.00 ATOM 118 CA SER 22 -8.755 -3.556 3.381 1.00 0.00 ATOM 119 CB SER 22 -10.233 -3.950 3.360 1.00 0.00 ATOM 120 OG SER 22 -10.417 -5.265 3.857 1.00 0.00 ATOM 121 O SER 22 -8.062 -4.724 1.381 1.00 0.00 ATOM 122 C SER 22 -7.947 -4.618 2.612 1.00 0.00 ATOM 123 N LEU 23 -7.153 -5.398 3.342 1.00 0.00 ATOM 124 CA LEU 23 -6.231 -6.353 2.715 1.00 0.00 ATOM 125 CB LEU 23 -5.361 -7.032 3.775 1.00 0.00 ATOM 126 CG LEU 23 -4.335 -8.045 3.263 1.00 0.00 ATOM 127 CD1 LEU 23 -3.337 -7.376 2.330 1.00 0.00 ATOM 128 CD2 LEU 23 -3.565 -8.662 4.420 1.00 0.00 ATOM 129 O LEU 23 -6.624 -7.785 0.838 1.00 0.00 ATOM 130 C LEU 23 -7.015 -7.417 1.977 1.00 0.00 ATOM 131 N ASP 24 -8.116 -7.930 2.544 1.00 0.00 ATOM 132 CA ASP 24 -8.872 -8.994 1.808 1.00 0.00 ATOM 133 CB ASP 24 -10.011 -9.537 2.672 1.00 0.00 ATOM 134 CG ASP 24 -9.517 -10.415 3.805 1.00 0.00 ATOM 135 OD1 ASP 24 -8.331 -10.803 3.780 1.00 0.00 ATOM 136 OD2 ASP 24 -10.316 -10.714 4.716 1.00 0.00 ATOM 137 O ASP 24 -9.485 -9.103 -0.506 1.00 0.00 ATOM 138 C ASP 24 -9.459 -8.414 0.526 1.00 0.00 ATOM 139 N ARG 25 -9.944 -7.154 0.573 1.00 0.00 ATOM 140 CA ARG 25 -10.426 -6.484 -0.644 1.00 0.00 ATOM 141 CB ARG 25 -10.942 -5.081 -0.315 1.00 0.00 ATOM 142 CG ARG 25 -12.248 -5.068 0.462 1.00 0.00 ATOM 143 CD ARG 25 -12.665 -3.650 0.818 1.00 0.00 ATOM 144 NE ARG 25 -13.905 -3.620 1.589 1.00 0.00 ATOM 145 CZ ARG 25 -14.448 -2.514 2.088 1.00 0.00 ATOM 146 NH1 ARG 25 -15.579 -2.583 2.777 1.00 0.00 ATOM 147 NH2 ARG 25 -13.859 -1.341 1.898 1.00 0.00 ATOM 148 O ARG 25 -9.571 -6.599 -2.918 1.00 0.00 ATOM 149 C ARG 25 -9.325 -6.323 -1.721 1.00 0.00 ATOM 150 N PHE 26 -8.120 -5.919 -1.288 1.00 0.00 ATOM 151 CA PHE 26 -7.034 -5.779 -2.246 1.00 0.00 ATOM 152 CB PHE 26 -5.780 -5.238 -1.558 1.00 0.00 ATOM 153 CG PHE 26 -4.597 -5.099 -2.474 1.00 0.00 ATOM 154 CD1 PHE 26 -4.491 -4.021 -3.334 1.00 0.00 ATOM 155 CD2 PHE 26 -3.591 -6.051 -2.476 1.00 0.00 ATOM 156 CE1 PHE 26 -3.403 -3.895 -4.177 1.00 0.00 ATOM 157 CE2 PHE 26 -2.503 -5.925 -3.317 1.00 0.00 ATOM 158 CZ PHE 26 -2.406 -4.853 -4.166 1.00 0.00 ATOM 159 O PHE 26 -6.458 -7.208 -4.113 1.00 0.00 ATOM 160 C PHE 26 -6.684 -7.108 -2.878 1.00 0.00 ATOM 161 N ARG 27 -6.567 -8.133 -2.046 1.00 0.00 ATOM 162 CA ARG 27 -6.242 -9.461 -2.585 1.00 0.00 ATOM 163 CB ARG 27 -6.180 -10.494 -1.458 1.00 0.00 ATOM 164 CG ARG 27 -5.782 -11.888 -1.916 1.00 0.00 ATOM 165 CD ARG 27 -5.831 -12.881 -0.766 1.00 0.00 ATOM 166 NE ARG 27 -7.191 -13.086 -0.277 1.00 0.00 ATOM 167 CZ ARG 27 -8.098 -13.846 -0.882 1.00 0.00 ATOM 168 NH1 ARG 27 -9.312 -13.973 -0.362 1.00 0.00 ATOM 169 NH2 ARG 27 -7.789 -14.479 -2.006 1.00 0.00 ATOM 170 O ARG 27 -6.881 -10.415 -4.729 1.00 0.00 ATOM 171 C ARG 27 -7.294 -9.927 -3.595 1.00 0.00 ATOM 172 N GLU 28 -8.586 -9.787 -3.247 1.00 0.00 ATOM 173 CA GLU 28 -9.664 -10.158 -4.187 1.00 0.00 ATOM 174 CB GLU 28 -11.035 -9.912 -3.555 1.00 0.00 ATOM 175 CG GLU 28 -11.385 -10.878 -2.437 1.00 0.00 ATOM 176 CD GLU 28 -12.693 -10.529 -1.753 1.00 0.00 ATOM 177 OE1 GLU 28 -13.287 -9.489 -2.104 1.00 0.00 ATOM 178 OE2 GLU 28 -13.121 -11.296 -0.865 1.00 0.00 ATOM 179 O GLU 28 -9.815 -9.991 -6.573 1.00 0.00 ATOM 180 C GLU 28 -9.624 -9.382 -5.461 1.00 0.00 ATOM 181 N PHE 29 -9.398 -8.059 -5.370 1.00 0.00 ATOM 182 CA PHE 29 -9.509 -7.208 -6.565 1.00 0.00 ATOM 183 CB PHE 29 -9.613 -5.734 -6.165 1.00 0.00 ATOM 184 CG PHE 29 -9.795 -4.802 -7.329 1.00 0.00 ATOM 185 CD1 PHE 29 -11.033 -4.657 -7.930 1.00 0.00 ATOM 186 CD2 PHE 29 -8.729 -4.070 -7.822 1.00 0.00 ATOM 187 CE1 PHE 29 -11.202 -3.800 -9.001 1.00 0.00 ATOM 188 CE2 PHE 29 -8.898 -3.212 -8.892 1.00 0.00 ATOM 189 CZ PHE 29 -10.127 -3.076 -9.482 1.00 0.00 ATOM 190 O PHE 29 -8.464 -7.250 -8.754 1.00 0.00 ATOM 191 C PHE 29 -8.318 -7.322 -7.516 1.00 0.00 ATOM 192 N PHE 30 -7.121 -7.453 -6.937 1.00 0.00 ATOM 193 CA PHE 30 -5.859 -7.395 -7.710 1.00 0.00 ATOM 194 CB PHE 30 -4.871 -6.430 -7.051 1.00 0.00 ATOM 195 CG PHE 30 -5.357 -5.011 -6.990 1.00 0.00 ATOM 196 CD1 PHE 30 -5.814 -4.471 -5.800 1.00 0.00 ATOM 197 CD2 PHE 30 -5.358 -4.216 -8.122 1.00 0.00 ATOM 198 CE1 PHE 30 -6.262 -3.165 -5.744 1.00 0.00 ATOM 199 CE2 PHE 30 -5.805 -2.909 -8.065 1.00 0.00 ATOM 200 CZ PHE 30 -6.256 -2.383 -6.884 1.00 0.00 ATOM 201 O PHE 30 -4.044 -8.725 -8.499 1.00 0.00 ATOM 202 C PHE 30 -5.113 -8.726 -7.854 1.00 0.00 ATOM 203 N GLU 31 -5.623 -9.786 -7.225 1.00 0.00 ATOM 204 CA GLU 31 -4.929 -11.065 -7.232 1.00 0.00 ATOM 205 CB GLU 31 -4.602 -11.491 -8.665 1.00 0.00 ATOM 206 CG GLU 31 -5.822 -11.654 -9.557 1.00 0.00 ATOM 207 CD GLU 31 -5.460 -12.095 -10.963 1.00 0.00 ATOM 208 OE1 GLU 31 -5.093 -13.274 -11.139 1.00 0.00 ATOM 209 OE2 GLU 31 -5.546 -11.258 -11.886 1.00 0.00 ATOM 210 O GLU 31 -2.631 -11.765 -6.800 1.00 0.00 ATOM 211 C GLU 31 -3.606 -11.017 -6.454 1.00 0.00 ATOM 212 N LEU 32 -3.543 -10.139 -5.458 1.00 0.00 ATOM 213 CA LEU 32 -2.353 -9.977 -4.612 1.00 0.00 ATOM 214 CB LEU 32 -2.363 -8.608 -3.930 1.00 0.00 ATOM 215 CG LEU 32 -2.338 -7.389 -4.855 1.00 0.00 ATOM 216 CD1 LEU 32 -2.417 -6.101 -4.050 1.00 0.00 ATOM 217 CD2 LEU 32 -1.056 -7.361 -5.672 1.00 0.00 ATOM 218 O LEU 32 -3.315 -11.797 -3.312 1.00 0.00 ATOM 219 C LEU 32 -2.320 -11.037 -3.552 1.00 0.00 ATOM 220 N GLU 33 -1.170 -11.101 -2.886 1.00 0.00 ATOM 221 CA GLU 33 -1.071 -12.109 -1.874 1.00 0.00 ATOM 222 CB GLU 33 -0.064 -13.184 -2.286 1.00 0.00 ATOM 223 CG GLU 33 -0.432 -13.925 -3.562 1.00 0.00 ATOM 224 CD GLU 33 0.616 -14.940 -3.970 1.00 0.00 ATOM 225 OE1 GLU 33 1.653 -15.033 -3.281 1.00 0.00 ATOM 226 OE2 GLU 33 0.400 -15.643 -4.980 1.00 0.00 ATOM 227 O GLU 33 0.275 -12.088 0.099 1.00 0.00 ATOM 228 C GLU 33 -0.621 -11.561 -0.551 1.00 0.00 ATOM 229 N ALA 34 -1.307 -10.505 -0.132 1.00 0.00 ATOM 230 CA ALA 34 -0.962 -9.916 1.140 1.00 0.00 ATOM 231 CB ALA 34 -1.653 -8.570 1.307 1.00 0.00 ATOM 232 O ALA 34 -2.495 -11.471 2.237 1.00 0.00 ATOM 233 C ALA 34 -1.402 -10.837 2.280 1.00 0.00 ATOM 234 N PRO 35 -0.580 -10.831 3.337 1.00 0.00 ATOM 235 CA PRO 35 -0.867 -11.698 4.488 1.00 0.00 ATOM 236 CB PRO 35 0.451 -11.734 5.263 1.00 0.00 ATOM 237 CG PRO 35 1.109 -10.434 4.941 1.00 0.00 ATOM 238 CD PRO 35 0.700 -10.097 3.535 1.00 0.00 ATOM 239 O PRO 35 -1.877 -9.914 5.734 1.00 0.00 ATOM 240 C PRO 35 -2.011 -11.048 5.282 1.00 0.00 ATOM 241 N GLY 41 -3.110 -11.761 5.422 1.00 0.00 ATOM 242 CA GLY 41 -4.295 -11.243 6.076 1.00 0.00 ATOM 243 O GLY 41 -5.542 -11.543 8.149 1.00 0.00 ATOM 244 C GLY 41 -4.513 -11.826 7.505 1.00 0.00 ATOM 245 N GLY 42 -3.543 -12.558 8.010 1.00 0.00 ATOM 246 CA GLY 42 -3.809 -13.252 9.258 1.00 0.00 ATOM 247 O GLY 42 -4.335 -12.682 11.487 1.00 0.00 ATOM 248 C GLY 42 -3.701 -12.377 10.488 1.00 0.00 ATOM 249 N ASN 43 -2.912 -11.298 10.427 1.00 0.00 ATOM 250 CA ASN 43 -2.766 -10.485 11.634 1.00 0.00 ATOM 251 CB ASN 43 -1.308 -10.473 12.100 1.00 0.00 ATOM 252 CG ASN 43 -0.808 -11.852 12.482 1.00 0.00 ATOM 253 ND2 ASN 43 0.099 -12.395 11.677 1.00 0.00 ATOM 254 OD1 ASN 43 -1.233 -12.422 13.487 1.00 0.00 ATOM 255 O ASN 43 -3.496 -8.379 12.456 1.00 0.00 ATOM 256 C ASN 43 -3.179 -9.025 11.453 1.00 0.00 ATOM 257 N ILE 44 -3.106 -8.545 10.219 1.00 0.00 ATOM 258 CA ILE 44 -3.509 -7.166 9.905 1.00 0.00 ATOM 259 CB ILE 44 -2.442 -6.446 9.060 1.00 0.00 ATOM 260 CG1 ILE 44 -2.230 -7.177 7.732 1.00 0.00 ATOM 261 CG2 ILE 44 -1.115 -6.401 9.802 1.00 0.00 ATOM 262 CD1 ILE 44 -1.346 -6.430 6.758 1.00 0.00 ATOM 263 O ILE 44 -5.164 -8.141 8.450 1.00 0.00 ATOM 264 C ILE 44 -4.802 -7.155 9.126 1.00 0.00 ATOM 265 N HIS 45 -5.506 -6.026 9.241 1.00 0.00 ATOM 266 CA HIS 45 -6.739 -5.874 8.488 1.00 0.00 ATOM 267 CB HIS 45 -7.844 -5.298 9.379 1.00 0.00 ATOM 268 CG HIS 45 -8.233 -6.196 10.512 1.00 0.00 ATOM 269 CD2 HIS 45 -8.074 -6.169 11.959 1.00 0.00 ATOM 270 ND1 HIS 45 -8.913 -7.379 10.326 1.00 0.00 ATOM 271 CE1 HIS 45 -9.119 -7.960 11.521 1.00 0.00 ATOM 272 NE2 HIS 45 -8.619 -7.239 12.505 1.00 0.00 ATOM 273 O HIS 45 -7.213 -5.095 6.223 1.00 0.00 ATOM 274 C HIS 45 -6.573 -4.917 7.275 1.00 0.00 ATOM 275 N THR 46 -5.740 -3.894 7.462 1.00 0.00 ATOM 276 CA THR 46 -5.584 -2.862 6.392 1.00 0.00 ATOM 277 CB THR 46 -5.944 -1.456 6.908 1.00 0.00 ATOM 278 CG2 THR 46 -7.357 -1.441 7.471 1.00 0.00 ATOM 279 OG1 THR 46 -5.029 -1.074 7.941 1.00 0.00 ATOM 280 O THR 46 -3.192 -3.423 6.515 1.00 0.00 ATOM 281 C THR 46 -4.144 -2.819 5.889 1.00 0.00 ATOM 282 N LEU 47 -3.971 -2.101 4.769 1.00 0.00 ATOM 283 CA LEU 47 -2.616 -1.933 4.234 1.00 0.00 ATOM 284 CB LEU 47 -2.648 -1.112 2.944 1.00 0.00 ATOM 285 CG LEU 47 -3.275 -1.791 1.725 1.00 0.00 ATOM 286 CD1 LEU 47 -3.407 -0.809 0.571 1.00 0.00 ATOM 287 CD2 LEU 47 -2.422 -2.960 1.261 1.00 0.00 ATOM 288 O LEU 47 -0.536 -1.631 5.397 1.00 0.00 ATOM 289 C LEU 47 -1.698 -1.222 5.195 1.00 0.00 ATOM 290 N ALA 48 -2.210 -0.173 5.841 1.00 0.00 ATOM 291 CA ALA 48 -1.472 0.521 6.896 1.00 0.00 ATOM 292 CB ALA 48 -2.339 1.599 7.529 1.00 0.00 ATOM 293 O ALA 48 0.100 -0.497 8.381 1.00 0.00 ATOM 294 C ALA 48 -1.059 -0.483 7.974 1.00 0.00 ATOM 295 N GLY 49 -2.015 -1.294 8.452 1.00 0.00 ATOM 296 CA GLY 49 -1.666 -2.255 9.531 1.00 0.00 ATOM 297 O GLY 49 0.338 -3.540 9.821 1.00 0.00 ATOM 298 C GLY 49 -0.581 -3.248 9.076 1.00 0.00 ATOM 299 N VAL 50 -0.662 -3.711 7.848 1.00 0.00 ATOM 300 CA VAL 50 0.351 -4.686 7.357 1.00 0.00 ATOM 301 CB VAL 50 0.037 -5.153 5.923 1.00 0.00 ATOM 302 CG1 VAL 50 1.182 -5.989 5.372 1.00 0.00 ATOM 303 CG2 VAL 50 -1.227 -5.999 5.904 1.00 0.00 ATOM 304 O VAL 50 2.762 -4.631 7.747 1.00 0.00 ATOM 305 C VAL 50 1.736 -4.021 7.363 1.00 0.00 ATOM 306 N MET 51 1.812 -2.767 6.868 1.00 0.00 ATOM 307 CA MET 51 3.081 -2.099 6.790 1.00 0.00 ATOM 308 CB MET 51 2.942 -0.770 6.046 1.00 0.00 ATOM 309 CG MET 51 2.653 -0.918 4.561 1.00 0.00 ATOM 310 SD MET 51 3.958 -1.799 3.683 1.00 0.00 ATOM 311 CE MET 51 5.295 -0.610 3.780 1.00 0.00 ATOM 312 O MET 51 4.794 -2.089 8.547 1.00 0.00 ATOM 313 C MET 51 3.591 -1.829 8.229 1.00 0.00 ATOM 314 N LEU 52 2.730 -1.354 9.135 1.00 0.00 ATOM 315 CA LEU 52 3.213 -1.031 10.487 1.00 0.00 ATOM 316 CB LEU 52 2.102 -0.374 11.309 1.00 0.00 ATOM 317 CG LEU 52 1.666 1.024 10.864 1.00 0.00 ATOM 318 CD1 LEU 52 0.460 1.491 11.665 1.00 0.00 ATOM 319 CD2 LEU 52 2.789 2.028 11.067 1.00 0.00 ATOM 320 O LEU 52 4.634 -2.246 12.030 1.00 0.00 ATOM 321 C LEU 52 3.677 -2.285 11.250 1.00 0.00 ATOM 322 N TYR 53 3.068 -3.407 10.969 1.00 0.00 ATOM 323 CA TYR 53 3.386 -4.597 11.741 1.00 0.00 ATOM 324 CB TYR 53 2.329 -5.681 11.514 1.00 0.00 ATOM 325 CG TYR 53 2.501 -6.898 12.395 1.00 0.00 ATOM 326 CD1 TYR 53 2.110 -6.872 13.727 1.00 0.00 ATOM 327 CD2 TYR 53 3.054 -8.067 11.890 1.00 0.00 ATOM 328 CE1 TYR 53 2.264 -7.979 14.540 1.00 0.00 ATOM 329 CE2 TYR 53 3.214 -9.185 12.688 1.00 0.00 ATOM 330 CZ TYR 53 2.813 -9.132 14.021 1.00 0.00 ATOM 331 OH TYR 53 2.967 -10.236 14.829 1.00 0.00 ATOM 332 O TYR 53 5.369 -5.765 11.986 1.00 0.00 ATOM 333 C TYR 53 4.712 -5.071 11.280 1.00 0.00 ATOM 334 N GLN 54 5.105 -4.679 10.095 1.00 0.00 ATOM 335 CA GLN 54 6.421 -5.098 9.571 1.00 0.00 ATOM 336 CB GLN 54 6.409 -5.116 8.041 1.00 0.00 ATOM 337 CG GLN 54 7.707 -5.602 7.417 1.00 0.00 ATOM 338 CD GLN 54 7.641 -5.654 5.902 1.00 0.00 ATOM 339 OE1 GLN 54 6.609 -5.345 5.305 1.00 0.00 ATOM 340 NE2 GLN 54 8.744 -6.048 5.276 1.00 0.00 ATOM 341 O GLN 54 8.666 -4.679 10.187 1.00 0.00 ATOM 342 C GLN 54 7.536 -4.199 9.984 1.00 0.00 ATOM 343 N LEU 55 7.231 -2.925 10.190 1.00 0.00 ATOM 344 CA LEU 55 8.273 -1.910 10.440 1.00 0.00 ATOM 345 CB LEU 55 7.824 -0.543 9.920 1.00 0.00 ATOM 346 CG LEU 55 7.543 -0.446 8.420 1.00 0.00 ATOM 347 CD1 LEU 55 7.027 0.938 8.057 1.00 0.00 ATOM 348 CD2 LEU 55 8.810 -0.706 7.619 1.00 0.00 ATOM 349 O LEU 55 7.815 -1.777 12.808 1.00 0.00 ATOM 350 C LEU 55 8.647 -1.693 11.906 1.00 0.00 ATOM 351 N GLY 56 9.918 -1.372 12.134 1.00 0.00 ATOM 352 CA GLY 56 10.381 -1.046 13.478 1.00 0.00 ATOM 353 O GLY 56 11.128 0.941 14.721 1.00 0.00 ATOM 354 C GLY 56 10.407 0.483 13.789 1.00 0.00 ATOM 355 N ARG 57 9.650 1.242 12.993 1.00 0.00 ATOM 356 CA ARG 57 9.450 2.693 13.126 1.00 0.00 ATOM 357 CB ARG 57 10.774 3.436 12.927 1.00 0.00 ATOM 358 CG ARG 57 10.686 4.934 13.169 1.00 0.00 ATOM 359 CD ARG 57 12.050 5.592 13.050 1.00 0.00 ATOM 360 NE ARG 57 12.530 5.615 11.671 1.00 0.00 ATOM 361 CZ ARG 57 13.810 5.701 11.326 1.00 0.00 ATOM 362 NH1 ARG 57 14.153 5.715 10.045 1.00 0.00 ATOM 363 NH2 ARG 57 14.746 5.772 12.263 1.00 0.00 ATOM 364 O ARG 57 8.488 2.560 10.978 1.00 0.00 ATOM 365 C ARG 57 8.451 3.118 12.059 1.00 0.00 ATOM 366 N VAL 58 7.546 4.074 12.348 1.00 0.00 ATOM 367 CA VAL 58 6.579 4.565 11.313 1.00 0.00 ATOM 368 CB VAL 58 5.641 5.645 11.883 1.00 0.00 ATOM 369 CG1 VAL 58 4.763 6.224 10.784 1.00 0.00 ATOM 370 CG2 VAL 58 4.740 5.055 12.957 1.00 0.00 ATOM 371 O VAL 58 8.535 5.760 10.597 1.00 0.00 ATOM 372 C VAL 58 7.519 5.110 10.257 1.00 0.00 ATOM 373 N PRO 59 7.362 4.631 9.005 1.00 0.00 ATOM 374 CA PRO 59 8.433 4.949 8.062 1.00 0.00 ATOM 375 CB PRO 59 8.262 3.915 6.947 1.00 0.00 ATOM 376 CG PRO 59 6.798 3.636 6.918 1.00 0.00 ATOM 377 CD PRO 59 6.338 3.674 8.347 1.00 0.00 ATOM 378 O PRO 59 7.191 6.871 7.642 1.00 0.00 ATOM 379 C PRO 59 8.252 6.356 7.567 1.00 0.00 ATOM 380 N SER 60 9.322 6.956 7.084 1.00 0.00 ATOM 381 CA SER 60 9.220 8.237 6.594 1.00 0.00 ATOM 382 CB SER 60 10.600 8.893 6.518 1.00 0.00 ATOM 383 OG SER 60 11.415 8.258 5.550 1.00 0.00 ATOM 384 O SER 60 8.744 7.079 4.500 1.00 0.00 ATOM 385 C SER 60 8.613 8.106 5.215 1.00 0.00 ATOM 386 N VAL 61 7.987 9.188 4.788 1.00 0.00 ATOM 387 CA VAL 61 7.705 9.317 3.379 1.00 0.00 ATOM 388 CB VAL 61 7.110 10.699 3.046 1.00 0.00 ATOM 389 CG1 VAL 61 6.993 10.880 1.541 1.00 0.00 ATOM 390 CG2 VAL 61 5.724 10.841 3.657 1.00 0.00 ATOM 391 O VAL 61 10.074 9.579 2.954 1.00 0.00 ATOM 392 C VAL 61 8.990 9.147 2.544 1.00 0.00 ATOM 393 N THR 62 8.815 8.524 1.394 1.00 0.00 ATOM 394 CA THR 62 9.867 8.179 0.477 1.00 0.00 ATOM 395 CB THR 62 11.014 9.205 0.522 1.00 0.00 ATOM 396 CG2 THR 62 10.485 10.605 0.247 1.00 0.00 ATOM 397 OG1 THR 62 11.627 9.185 1.817 1.00 0.00 ATOM 398 O THR 62 11.398 6.439 -0.069 1.00 0.00 ATOM 399 C THR 62 10.520 6.833 0.725 1.00 0.00 ATOM 400 N ASP 63 10.215 6.200 1.836 1.00 0.00 ATOM 401 CA ASP 63 10.757 4.865 2.128 1.00 0.00 ATOM 402 CB ASP 63 10.306 4.394 3.512 1.00 0.00 ATOM 403 CG ASP 63 11.013 5.126 4.635 1.00 0.00 ATOM 404 OD1 ASP 63 11.987 5.854 4.348 1.00 0.00 ATOM 405 OD2 ASP 63 10.595 4.971 5.801 1.00 0.00 ATOM 406 O ASP 63 9.070 3.889 0.706 1.00 0.00 ATOM 407 C ASP 63 10.248 3.876 1.067 1.00 0.00 ATOM 408 N ARG 64 11.138 2.991 0.591 1.00 0.00 ATOM 409 CA ARG 64 10.766 1.968 -0.387 1.00 0.00 ATOM 410 CB ARG 64 11.582 2.129 -1.670 1.00 0.00 ATOM 411 CG ARG 64 11.272 1.094 -2.739 1.00 0.00 ATOM 412 CD ARG 64 12.082 1.342 -4.001 1.00 0.00 ATOM 413 NE ARG 64 11.838 0.322 -5.018 1.00 0.00 ATOM 414 CZ ARG 64 12.358 0.346 -6.240 1.00 0.00 ATOM 415 NH1 ARG 64 12.080 -0.626 -7.098 1.00 0.00 ATOM 416 NH2 ARG 64 13.153 1.344 -6.604 1.00 0.00 ATOM 417 O ARG 64 12.160 0.437 0.903 1.00 0.00 ATOM 418 C ARG 64 11.071 0.639 0.299 1.00 0.00 ATOM 419 N PHE 65 10.107 -0.276 0.246 1.00 0.00 ATOM 420 CA PHE 65 10.149 -1.531 1.002 1.00 0.00 ATOM 421 CB PHE 65 9.357 -1.400 2.305 1.00 0.00 ATOM 422 CG PHE 65 9.868 -0.323 3.220 1.00 0.00 ATOM 423 CD1 PHE 65 9.336 0.953 3.175 1.00 0.00 ATOM 424 CD2 PHE 65 10.882 -0.587 4.123 1.00 0.00 ATOM 425 CE1 PHE 65 9.807 1.944 4.016 1.00 0.00 ATOM 426 CE2 PHE 65 11.353 0.403 4.965 1.00 0.00 ATOM 427 CZ PHE 65 10.820 1.665 4.914 1.00 0.00 ATOM 428 O PHE 65 8.725 -2.318 -0.799 1.00 0.00 ATOM 429 C PHE 65 9.530 -2.621 0.122 1.00 0.00 ATOM 430 N GLU 66 9.831 -3.860 0.435 1.00 0.00 ATOM 431 CA GLU 66 9.224 -4.970 -0.241 1.00 0.00 ATOM 432 CB GLU 66 10.296 -5.883 -0.842 1.00 0.00 ATOM 433 CG GLU 66 9.740 -7.087 -1.584 1.00 0.00 ATOM 434 CD GLU 66 10.829 -7.947 -2.195 1.00 0.00 ATOM 435 OE1 GLU 66 12.019 -7.635 -1.988 1.00 0.00 ATOM 436 OE2 GLU 66 10.490 -8.934 -2.882 1.00 0.00 ATOM 437 O GLU 66 8.950 -6.112 1.882 1.00 0.00 ATOM 438 C GLU 66 8.390 -5.745 0.823 1.00 0.00 ATOM 439 N TRP 67 7.123 -6.047 0.509 1.00 0.00 ATOM 440 CA TRP 67 6.285 -6.846 1.414 1.00 0.00 ATOM 441 CB TRP 67 5.445 -5.935 2.310 1.00 0.00 ATOM 442 CG TRP 67 4.712 -6.668 3.393 1.00 0.00 ATOM 443 CD1 TRP 67 3.434 -7.144 3.339 1.00 0.00 ATOM 444 CD2 TRP 67 5.214 -7.008 4.690 1.00 0.00 ATOM 445 CE2 TRP 67 4.185 -7.690 5.369 1.00 0.00 ATOM 446 CE3 TRP 67 6.432 -6.803 5.344 1.00 0.00 ATOM 447 NE1 TRP 67 3.108 -7.761 4.522 1.00 0.00 ATOM 448 CZ2 TRP 67 4.338 -8.168 6.670 1.00 0.00 ATOM 449 CZ3 TRP 67 6.581 -7.278 6.633 1.00 0.00 ATOM 450 CH2 TRP 67 5.541 -7.953 7.285 1.00 0.00 ATOM 451 O TRP 67 4.655 -7.204 -0.278 1.00 0.00 ATOM 452 C TRP 67 5.390 -7.698 0.579 1.00 0.00 ATOM 453 N ASN 68 5.443 -9.000 0.826 1.00 0.00 ATOM 454 CA ASN 68 4.428 -9.901 0.283 1.00 0.00 ATOM 455 CB ASN 68 3.072 -9.638 0.940 1.00 0.00 ATOM 456 CG ASN 68 3.092 -9.876 2.437 1.00 0.00 ATOM 457 ND2 ASN 68 2.730 -8.854 3.203 1.00 0.00 ATOM 458 OD1 ASN 68 3.431 -10.968 2.896 1.00 0.00 ATOM 459 O ASN 68 3.089 -9.678 -1.716 1.00 0.00 ATOM 460 C ASN 68 4.242 -9.742 -1.218 1.00 0.00 ATOM 461 N GLY 69 5.353 -9.686 -1.938 1.00 0.00 ATOM 462 CA GLY 69 5.275 -9.657 -3.422 1.00 0.00 ATOM 463 O GLY 69 4.844 -8.160 -5.247 1.00 0.00 ATOM 464 C GLY 69 4.985 -8.271 -4.005 1.00 0.00 ATOM 465 N PHE 70 4.987 -7.233 -3.155 1.00 0.00 ATOM 466 CA PHE 70 4.806 -5.848 -3.638 1.00 0.00 ATOM 467 CB PHE 70 3.595 -5.199 -2.964 1.00 0.00 ATOM 468 CG PHE 70 2.288 -5.859 -3.300 1.00 0.00 ATOM 469 CD1 PHE 70 1.780 -6.868 -2.499 1.00 0.00 ATOM 470 CD2 PHE 70 1.568 -5.472 -4.415 1.00 0.00 ATOM 471 CE1 PHE 70 0.578 -7.475 -2.809 1.00 0.00 ATOM 472 CE2 PHE 70 0.366 -6.079 -4.725 1.00 0.00 ATOM 473 CZ PHE 70 -0.130 -7.076 -3.927 1.00 0.00 ATOM 474 O PHE 70 6.695 -5.107 -2.274 1.00 0.00 ATOM 475 C PHE 70 6.037 -4.973 -3.335 1.00 0.00 ATOM 476 N SER 71 6.324 -4.079 -4.280 1.00 0.00 ATOM 477 CA SER 71 7.376 -3.060 -4.036 1.00 0.00 ATOM 478 CB SER 71 8.252 -2.885 -5.279 1.00 0.00 ATOM 479 OG SER 71 9.209 -1.858 -5.088 1.00 0.00 ATOM 480 O SER 71 5.896 -1.230 -4.599 1.00 0.00 ATOM 481 C SER 71 6.620 -1.770 -3.711 1.00 0.00 ATOM 482 N PHE 72 6.805 -1.265 -2.500 1.00 0.00 ATOM 483 CA PHE 72 5.949 -0.209 -1.960 1.00 0.00 ATOM 484 CB PHE 72 5.341 -0.643 -0.626 1.00 0.00 ATOM 485 CG PHE 72 4.416 -1.821 -0.736 1.00 0.00 ATOM 486 CD1 PHE 72 4.890 -3.109 -0.563 1.00 0.00 ATOM 487 CD2 PHE 72 3.071 -1.640 -1.011 1.00 0.00 ATOM 488 CE1 PHE 72 4.039 -4.194 -0.665 1.00 0.00 ATOM 489 CE2 PHE 72 2.221 -2.725 -1.113 1.00 0.00 ATOM 490 CZ PHE 72 2.698 -3.998 -0.940 1.00 0.00 ATOM 491 O PHE 72 7.841 0.942 -1.171 1.00 0.00 ATOM 492 C PHE 72 6.745 1.052 -1.734 1.00 0.00 ATOM 493 N GLU 73 6.226 2.221 -2.126 1.00 0.00 ATOM 494 CA GLU 73 6.872 3.508 -1.812 1.00 0.00 ATOM 495 CB GLU 73 7.186 4.277 -3.097 1.00 0.00 ATOM 496 CG GLU 73 7.912 5.593 -2.870 1.00 0.00 ATOM 497 CD GLU 73 8.209 6.325 -4.164 1.00 0.00 ATOM 498 OE1 GLU 73 7.782 5.840 -5.233 1.00 0.00 ATOM 499 OE2 GLU 73 8.866 7.386 -4.109 1.00 0.00 ATOM 500 O GLU 73 4.717 4.516 -1.306 1.00 0.00 ATOM 501 C GLU 73 5.880 4.306 -0.939 1.00 0.00 ATOM 502 N VAL 74 6.296 4.649 0.268 1.00 0.00 ATOM 503 CA VAL 74 5.445 5.433 1.162 1.00 0.00 ATOM 504 CB VAL 74 6.034 5.503 2.583 1.00 0.00 ATOM 505 CG1 VAL 74 5.174 6.388 3.474 1.00 0.00 ATOM 506 CG2 VAL 74 6.096 4.115 3.203 1.00 0.00 ATOM 507 O VAL 74 6.379 7.536 0.460 1.00 0.00 ATOM 508 C VAL 74 5.341 6.849 0.587 1.00 0.00 ATOM 509 N VAL 75 4.110 7.327 0.289 1.00 0.00 ATOM 510 CA VAL 75 3.943 8.687 -0.254 1.00 0.00 ATOM 511 CB VAL 75 2.883 8.722 -1.370 1.00 0.00 ATOM 512 CG1 VAL 75 2.604 10.155 -1.795 1.00 0.00 ATOM 513 CG2 VAL 75 3.363 7.945 -2.586 1.00 0.00 ATOM 514 O VAL 75 3.862 10.903 0.699 1.00 0.00 ATOM 515 C VAL 75 3.500 9.715 0.789 1.00 0.00 ATOM 516 N ASP 76 2.696 9.262 1.756 1.00 0.00 ATOM 517 CA ASP 76 2.069 10.213 2.681 1.00 0.00 ATOM 518 CB ASP 76 0.699 10.648 2.154 1.00 0.00 ATOM 519 CG ASP 76 0.154 11.859 2.884 1.00 0.00 ATOM 520 OD1 ASP 76 -0.006 11.786 4.121 1.00 0.00 ATOM 521 OD2 ASP 76 -0.115 12.882 2.220 1.00 0.00 ATOM 522 O ASP 76 1.300 8.429 4.039 1.00 0.00 ATOM 523 C ASP 76 1.908 9.515 4.032 1.00 0.00 ATOM 524 N MET 77 2.422 10.135 5.090 1.00 0.00 ATOM 525 CA MET 77 2.291 9.649 6.440 1.00 0.00 ATOM 526 CB MET 77 3.665 9.322 7.028 1.00 0.00 ATOM 527 CG MET 77 3.620 8.774 8.445 1.00 0.00 ATOM 528 SD MET 77 3.506 10.072 9.691 1.00 0.00 ATOM 529 CE MET 77 5.201 10.646 9.738 1.00 0.00 ATOM 530 O MET 77 1.961 11.958 7.058 1.00 0.00 ATOM 531 C MET 77 1.616 10.771 7.251 1.00 0.00 ATOM 532 N ASP 78 0.725 10.384 8.134 1.00 0.00 ATOM 533 CA ASP 78 0.114 11.365 9.015 1.00 0.00 ATOM 534 CB ASP 78 -0.971 12.149 8.274 1.00 0.00 ATOM 535 CG ASP 78 -1.397 13.398 9.018 1.00 0.00 ATOM 536 OD1 ASP 78 -1.938 13.268 10.137 1.00 0.00 ATOM 537 OD2 ASP 78 -1.193 14.508 8.483 1.00 0.00 ATOM 538 O ASP 78 -1.016 9.523 10.022 1.00 0.00 ATOM 539 C ASP 78 -0.500 10.662 10.178 1.00 0.00 ATOM 540 N ARG 79 -0.375 11.275 11.366 1.00 0.00 ATOM 541 CA ARG 79 -0.921 10.620 12.562 1.00 0.00 ATOM 542 CB ARG 79 -2.404 10.299 12.368 1.00 0.00 ATOM 543 CG ARG 79 -3.286 11.526 12.192 1.00 0.00 ATOM 544 CD ARG 79 -4.747 11.137 12.037 1.00 0.00 ATOM 545 NE ARG 79 -5.586 12.285 11.698 1.00 0.00 ATOM 546 CZ ARG 79 -6.894 12.215 11.476 1.00 0.00 ATOM 547 NH1 ARG 79 -7.575 13.311 11.175 1.00 0.00 ATOM 548 NH2 ARG 79 -7.518 11.047 11.555 1.00 0.00 ATOM 549 O ARG 79 -0.739 8.363 13.322 1.00 0.00 ATOM 550 C ARG 79 -0.166 9.304 12.839 1.00 0.00 ATOM 551 N THR 80 1.146 9.270 12.585 1.00 0.00 ATOM 552 CA THR 80 1.900 7.994 12.514 1.00 0.00 ATOM 553 CB THR 80 2.234 7.456 13.918 1.00 0.00 ATOM 554 CG2 THR 80 3.092 8.453 14.681 1.00 0.00 ATOM 555 OG1 THR 80 1.020 7.234 14.649 1.00 0.00 ATOM 556 O THR 80 1.519 5.646 12.204 1.00 0.00 ATOM 557 C THR 80 1.218 6.821 11.812 1.00 0.00 ATOM 558 N ARG 81 0.246 7.068 10.914 1.00 0.00 ATOM 559 CA ARG 81 -0.260 5.998 10.040 1.00 0.00 ATOM 560 CB ARG 81 -1.790 5.962 10.067 1.00 0.00 ATOM 561 CG ARG 81 -2.377 5.519 11.397 1.00 0.00 ATOM 562 CD ARG 81 -3.896 5.546 11.365 1.00 0.00 ATOM 563 NE ARG 81 -4.477 5.200 12.662 1.00 0.00 ATOM 564 CZ ARG 81 -4.735 3.957 13.055 1.00 0.00 ATOM 565 NH1 ARG 81 -5.264 3.736 14.251 1.00 0.00 ATOM 566 NH2 ARG 81 -4.463 2.937 12.253 1.00 0.00 ATOM 567 O ARG 81 0.529 7.432 8.252 1.00 0.00 ATOM 568 C ARG 81 0.228 6.284 8.607 1.00 0.00 ATOM 569 N VAL 82 0.273 5.224 7.792 1.00 0.00 ATOM 570 CA VAL 82 0.468 5.368 6.368 1.00 0.00 ATOM 571 CB VAL 82 0.907 4.042 5.720 1.00 0.00 ATOM 572 CG1 VAL 82 1.036 4.201 4.214 1.00 0.00 ATOM 573 CG2 VAL 82 2.252 3.598 6.274 1.00 0.00 ATOM 574 O VAL 82 -1.900 5.116 5.891 1.00 0.00 ATOM 575 C VAL 82 -0.872 5.819 5.745 1.00 0.00 ATOM 576 N ASP 83 -0.863 6.996 5.118 1.00 0.00 ATOM 577 CA ASP 83 -2.050 7.471 4.449 1.00 0.00 ATOM 578 CB ASP 83 -2.116 8.998 4.495 1.00 0.00 ATOM 579 CG ASP 83 -2.409 9.529 5.885 1.00 0.00 ATOM 580 OD1 ASP 83 -2.833 8.730 6.747 1.00 0.00 ATOM 581 OD2 ASP 83 -2.215 10.741 6.112 1.00 0.00 ATOM 582 O ASP 83 -3.201 6.734 2.502 1.00 0.00 ATOM 583 C ASP 83 -2.135 7.080 2.990 1.00 0.00 ATOM 584 N LYS 84 -0.986 7.127 2.268 1.00 0.00 ATOM 585 CA LYS 84 -0.991 6.721 0.820 1.00 0.00 ATOM 586 CB LYS 84 -1.210 7.941 -0.078 1.00 0.00 ATOM 587 CG LYS 84 -2.596 8.557 0.041 1.00 0.00 ATOM 588 CD LYS 84 -2.792 9.675 -0.970 1.00 0.00 ATOM 589 CE LYS 84 -4.217 10.202 -0.941 1.00 0.00 ATOM 590 NZ LYS 84 -4.426 11.290 -1.935 1.00 0.00 ATOM 591 O LYS 84 1.408 6.527 1.039 1.00 0.00 ATOM 592 C LYS 84 0.349 6.095 0.516 1.00 0.00 ATOM 593 N ILE 85 0.295 5.055 -0.302 1.00 0.00 ATOM 594 CA ILE 85 1.505 4.399 -0.789 1.00 0.00 ATOM 595 CB ILE 85 1.798 3.105 -0.007 1.00 0.00 ATOM 596 CG1 ILE 85 0.624 2.131 -0.128 1.00 0.00 ATOM 597 CG2 ILE 85 2.021 3.412 1.466 1.00 0.00 ATOM 598 CD1 ILE 85 0.901 0.765 0.460 1.00 0.00 ATOM 599 O ILE 85 0.295 3.684 -2.697 1.00 0.00 ATOM 600 C ILE 85 1.379 4.028 -2.248 1.00 0.00 ATOM 601 N LEU 86 2.491 4.095 -2.945 1.00 0.00 ATOM 602 CA LEU 86 2.580 3.631 -4.332 1.00 0.00 ATOM 603 CB LEU 86 3.647 4.421 -5.094 1.00 0.00 ATOM 604 CG LEU 86 3.416 5.929 -5.214 1.00 0.00 ATOM 605 CD1 LEU 86 4.585 6.596 -5.923 1.00 0.00 ATOM 606 CD2 LEU 86 2.152 6.217 -6.010 1.00 0.00 ATOM 607 O LEU 86 3.812 1.737 -3.521 1.00 0.00 ATOM 608 C LEU 86 2.947 2.173 -4.321 1.00 0.00 ATOM 609 N VAL 87 2.306 1.362 -5.185 1.00 0.00 ATOM 610 CA VAL 87 2.614 -0.097 -5.176 1.00 0.00 ATOM 611 CB VAL 87 1.457 -0.914 -4.571 1.00 0.00 ATOM 612 CG1 VAL 87 1.780 -2.400 -4.604 1.00 0.00 ATOM 613 CG2 VAL 87 1.214 -0.505 -3.127 1.00 0.00 ATOM 614 O VAL 87 2.095 -0.233 -7.524 1.00 0.00 ATOM 615 C VAL 87 2.852 -0.597 -6.589 1.00 0.00 ATOM 616 N GLN 88 3.910 -1.379 -6.744 1.00 0.00 ATOM 617 CA GLN 88 4.184 -2.075 -7.973 1.00 0.00 ATOM 618 CB GLN 88 5.482 -1.565 -8.601 1.00 0.00 ATOM 619 CG GLN 88 5.448 -0.098 -8.994 1.00 0.00 ATOM 620 CD GLN 88 6.749 0.370 -9.614 1.00 0.00 ATOM 621 OE1 GLN 88 7.720 -0.384 -9.687 1.00 0.00 ATOM 622 NE2 GLN 88 6.775 1.620 -10.061 1.00 0.00 ATOM 623 O GLN 88 4.814 -3.903 -6.582 1.00 0.00 ATOM 624 C GLN 88 4.312 -3.576 -7.620 1.00 0.00 ATOM 625 N ARG 89 3.886 -4.470 -8.497 1.00 0.00 ATOM 626 CA ARG 89 4.035 -5.925 -8.216 1.00 0.00 ATOM 627 CB ARG 89 3.070 -6.740 -9.080 1.00 0.00 ATOM 628 CG ARG 89 1.604 -6.527 -8.741 1.00 0.00 ATOM 629 CD ARG 89 0.703 -7.361 -9.638 1.00 0.00 ATOM 630 NE ARG 89 -0.712 -7.092 -9.393 1.00 0.00 ATOM 631 CZ ARG 89 -1.708 -7.698 -10.033 1.00 0.00 ATOM 632 NH1 ARG 89 -2.965 -7.390 -9.744 1.00 0.00 ATOM 633 NH2 ARG 89 -1.444 -8.609 -10.958 1.00 0.00 ATOM 634 O ARG 89 6.107 -5.984 -9.551 1.00 0.00 ATOM 635 C ARG 89 5.470 -6.399 -8.519 1.00 0.00 TER END