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 2 Fri Jun 13 13:16:23 2008 MODEL 2 PARENT N/A ATOM 2 N VAL 8 -6.292 3.304 -7.304 1.00 0.00 ATOM 3 CA VAL 8 -6.328 4.019 -8.534 1.00 0.00 ATOM 4 CB VAL 8 -6.357 5.542 -8.301 1.00 0.00 ATOM 5 CG1 VAL 8 -6.256 6.284 -9.626 1.00 0.00 ATOM 6 CG2 VAL 8 -7.650 5.952 -7.616 1.00 0.00 ATOM 7 O VAL 8 -4.045 3.636 -8.593 1.00 0.00 ATOM 8 C VAL 8 -5.079 3.580 -9.194 1.00 0.00 ATOM 9 N GLN 9 -5.190 3.114 -10.424 1.00 0.00 ATOM 10 CA GLN 9 -4.076 2.671 -11.250 1.00 0.00 ATOM 11 CB GLN 9 -4.509 1.522 -12.163 1.00 0.00 ATOM 12 CG GLN 9 -3.392 0.961 -13.027 1.00 0.00 ATOM 13 CD GLN 9 -3.855 -0.186 -13.906 1.00 0.00 ATOM 14 OE1 GLN 9 -5.006 -0.614 -13.828 1.00 0.00 ATOM 15 NE2 GLN 9 -2.956 -0.686 -14.744 1.00 0.00 ATOM 16 O GLN 9 -4.307 4.355 -12.940 1.00 0.00 ATOM 17 C GLN 9 -3.567 3.807 -12.121 1.00 0.00 ATOM 18 N ARG 10 -2.297 4.155 -11.929 1.00 0.00 ATOM 19 CA ARG 10 -1.640 5.183 -12.731 1.00 0.00 ATOM 20 CB ARG 10 -0.280 5.546 -12.129 1.00 0.00 ATOM 21 CG ARG 10 -0.364 6.235 -10.777 1.00 0.00 ATOM 22 CD ARG 10 1.018 6.581 -10.247 1.00 0.00 ATOM 23 NE ARG 10 0.953 7.296 -8.974 1.00 0.00 ATOM 24 CZ ARG 10 2.017 7.704 -8.292 1.00 0.00 ATOM 25 NH1 ARG 10 1.862 8.346 -7.143 1.00 0.00 ATOM 26 NH2 ARG 10 3.236 7.470 -8.761 1.00 0.00 ATOM 27 O ARG 10 -1.645 3.576 -14.538 1.00 0.00 ATOM 28 C ARG 10 -1.393 4.734 -14.183 1.00 0.00 ATOM 29 N GLU 11 -0.901 5.659 -15.009 1.00 0.00 ATOM 30 CA GLU 11 -0.653 5.420 -16.440 1.00 0.00 ATOM 31 CB GLU 11 -0.105 6.683 -17.106 1.00 0.00 ATOM 32 CG GLU 11 -1.125 7.799 -17.256 1.00 0.00 ATOM 33 CD GLU 11 -0.525 9.063 -17.838 1.00 0.00 ATOM 34 OE1 GLU 11 0.706 9.096 -18.043 1.00 0.00 ATOM 35 OE2 GLU 11 -1.285 10.021 -18.089 1.00 0.00 ATOM 36 O GLU 11 0.349 3.766 -17.863 1.00 0.00 ATOM 37 C GLU 11 0.353 4.310 -16.758 1.00 0.00 ATOM 38 N ASP 12 1.216 3.982 -15.798 1.00 0.00 ATOM 39 CA ASP 12 2.303 3.022 -16.037 1.00 0.00 ATOM 40 CB ASP 12 3.626 3.563 -15.489 1.00 0.00 ATOM 41 CG ASP 12 3.586 3.791 -13.992 1.00 0.00 ATOM 42 OD1 ASP 12 2.521 3.562 -13.384 1.00 0.00 ATOM 43 OD2 ASP 12 4.623 4.198 -13.426 1.00 0.00 ATOM 44 O ASP 12 3.013 0.847 -15.293 1.00 0.00 ATOM 45 C ASP 12 2.089 1.653 -15.381 1.00 0.00 ATOM 46 N GLY 13 0.869 1.400 -14.923 1.00 0.00 ATOM 47 CA GLY 13 0.559 0.152 -14.244 1.00 0.00 ATOM 48 O GLY 13 -0.029 -0.548 -12.047 1.00 0.00 ATOM 49 C GLY 13 0.608 0.252 -12.733 1.00 0.00 ATOM 50 N SER 14 1.358 1.220 -12.203 1.00 0.00 ATOM 51 CA SER 14 1.532 1.303 -10.747 1.00 0.00 ATOM 52 CB SER 14 2.639 2.300 -10.398 1.00 0.00 ATOM 53 OG SER 14 2.254 3.624 -10.721 1.00 0.00 ATOM 54 O SER 14 -0.675 2.279 -10.697 1.00 0.00 ATOM 55 C SER 14 0.259 1.762 -10.046 1.00 0.00 ATOM 56 N TRP 15 0.210 1.537 -8.736 1.00 0.00 ATOM 57 CA TRP 15 -1.004 1.779 -7.959 1.00 0.00 ATOM 58 CB TRP 15 -1.480 0.486 -7.293 1.00 0.00 ATOM 59 CG TRP 15 -2.001 -0.532 -8.262 1.00 0.00 ATOM 60 CD1 TRP 15 -1.286 -1.517 -8.877 1.00 0.00 ATOM 61 CD2 TRP 15 -3.350 -0.663 -8.726 1.00 0.00 ATOM 62 CE2 TRP 15 -3.379 -1.750 -9.621 1.00 0.00 ATOM 63 CE3 TRP 15 -4.536 0.032 -8.472 1.00 0.00 ATOM 64 NE1 TRP 15 -2.105 -2.255 -9.698 1.00 0.00 ATOM 65 CZ2 TRP 15 -4.547 -2.159 -10.264 1.00 0.00 ATOM 66 CZ3 TRP 15 -5.691 -0.375 -9.112 1.00 0.00 ATOM 67 CH2 TRP 15 -5.692 -1.460 -9.996 1.00 0.00 ATOM 68 O TRP 15 0.199 2.793 -6.120 1.00 0.00 ATOM 69 C TRP 15 -0.803 2.815 -6.845 1.00 0.00 ATOM 70 N LEU 16 -1.742 3.737 -6.749 1.00 0.00 ATOM 71 CA LEU 16 -1.893 4.583 -5.589 1.00 0.00 ATOM 72 CB LEU 16 -2.281 6.003 -6.008 1.00 0.00 ATOM 73 CG LEU 16 -2.525 7.000 -4.873 1.00 0.00 ATOM 74 CD1 LEU 16 -1.243 7.253 -4.094 1.00 0.00 ATOM 75 CD2 LEU 16 -3.017 8.330 -5.424 1.00 0.00 ATOM 76 O LEU 16 -4.116 3.846 -5.136 1.00 0.00 ATOM 77 C LEU 16 -2.980 4.013 -4.698 1.00 0.00 ATOM 78 N VAL 17 -2.638 3.737 -3.441 1.00 0.00 ATOM 79 CA VAL 17 -3.569 3.112 -2.503 1.00 0.00 ATOM 80 CB VAL 17 -3.118 1.689 -2.126 1.00 0.00 ATOM 81 CG1 VAL 17 -3.080 0.797 -3.356 1.00 0.00 ATOM 82 CG2 VAL 17 -1.728 1.716 -1.510 1.00 0.00 ATOM 83 O VAL 17 -2.693 4.420 -0.691 1.00 0.00 ATOM 84 C VAL 17 -3.686 3.904 -1.208 1.00 0.00 ATOM 85 N ASP 18 -4.907 3.970 -0.692 1.00 0.00 ATOM 86 CA ASP 18 -5.222 4.515 0.630 1.00 0.00 ATOM 87 CB ASP 18 -6.737 4.585 0.833 1.00 0.00 ATOM 88 CG ASP 18 -7.382 5.696 0.028 1.00 0.00 ATOM 89 OD1 ASP 18 -6.641 6.530 -0.534 1.00 0.00 ATOM 90 OD2 ASP 18 -8.628 5.732 -0.041 1.00 0.00 ATOM 91 O ASP 18 -4.660 2.372 1.484 1.00 0.00 ATOM 92 C ASP 18 -4.593 3.578 1.657 1.00 0.00 ATOM 93 N GLY 19 -3.995 4.108 2.718 1.00 0.00 ATOM 94 CA GLY 19 -3.433 3.252 3.765 1.00 0.00 ATOM 95 O GLY 19 -4.225 1.470 5.170 1.00 0.00 ATOM 96 C GLY 19 -4.508 2.500 4.565 1.00 0.00 ATOM 97 N MET 20 -5.740 3.001 4.562 1.00 0.00 ATOM 98 CA MET 20 -6.819 2.333 5.293 1.00 0.00 ATOM 99 CB MET 20 -7.809 3.362 5.842 1.00 0.00 ATOM 100 CG MET 20 -7.205 4.331 6.845 1.00 0.00 ATOM 101 SD MET 20 -6.578 3.508 8.321 1.00 0.00 ATOM 102 CE MET 20 -8.100 2.896 9.039 1.00 0.00 ATOM 103 O MET 20 -8.629 0.876 4.801 1.00 0.00 ATOM 104 C MET 20 -7.590 1.373 4.402 1.00 0.00 ATOM 105 N VAL 21 -7.067 1.091 3.211 1.00 0.00 ATOM 106 CA VAL 21 -7.621 0.027 2.374 1.00 0.00 ATOM 107 CB VAL 21 -6.842 -0.117 1.053 1.00 0.00 ATOM 108 CG1 VAL 21 -7.347 -1.315 0.264 1.00 0.00 ATOM 109 CG2 VAL 21 -7.011 1.129 0.197 1.00 0.00 ATOM 110 O VAL 21 -6.506 -1.749 3.605 1.00 0.00 ATOM 111 C VAL 21 -7.561 -1.332 3.111 1.00 0.00 ATOM 112 N SER 22 -8.696 -2.011 3.190 1.00 0.00 ATOM 113 CA SER 22 -8.764 -3.292 3.907 1.00 0.00 ATOM 114 CB SER 22 -10.221 -3.707 4.124 1.00 0.00 ATOM 115 OG SER 22 -10.850 -4.027 2.895 1.00 0.00 ATOM 116 O SER 22 -7.878 -4.346 1.887 1.00 0.00 ATOM 117 C SER 22 -8.061 -4.428 3.122 1.00 0.00 ATOM 118 N LEU 23 -7.654 -5.475 3.840 1.00 0.00 ATOM 119 CA LEU 23 -6.879 -6.597 3.254 1.00 0.00 ATOM 120 CB LEU 23 -6.609 -7.671 4.310 1.00 0.00 ATOM 121 CG LEU 23 -5.831 -8.901 3.842 1.00 0.00 ATOM 122 CD1 LEU 23 -4.443 -8.509 3.357 1.00 0.00 ATOM 123 CD2 LEU 23 -5.673 -9.902 4.977 1.00 0.00 ATOM 124 O LEU 23 -6.910 -7.571 1.033 1.00 0.00 ATOM 125 C LEU 23 -7.575 -7.321 2.068 1.00 0.00 ATOM 126 N ASP 24 -8.878 -7.687 2.214 1.00 0.00 ATOM 127 CA ASP 24 -9.595 -8.261 1.062 1.00 0.00 ATOM 128 CB ASP 24 -11.105 -8.248 1.310 1.00 0.00 ATOM 129 CG ASP 24 -11.537 -9.277 2.335 1.00 0.00 ATOM 130 OD1 ASP 24 -10.704 -10.130 2.708 1.00 0.00 ATOM 131 OD2 ASP 24 -12.708 -9.229 2.767 1.00 0.00 ATOM 132 O ASP 24 -8.733 -8.026 -1.189 1.00 0.00 ATOM 133 C ASP 24 -9.335 -7.490 -0.220 1.00 0.00 ATOM 134 N ARG 25 -9.678 -6.178 -0.206 1.00 0.00 ATOM 135 CA ARG 25 -9.548 -5.299 -1.362 1.00 0.00 ATOM 136 CB ARG 25 -10.075 -3.901 -1.035 1.00 0.00 ATOM 137 CG ARG 25 -11.576 -3.842 -0.805 1.00 0.00 ATOM 138 CD ARG 25 -12.028 -2.432 -0.459 1.00 0.00 ATOM 139 NE ARG 25 -13.464 -2.363 -0.208 1.00 0.00 ATOM 140 CZ ARG 25 -14.104 -1.262 0.175 1.00 0.00 ATOM 141 NH1 ARG 25 -15.414 -1.294 0.380 1.00 0.00 ATOM 142 NH2 ARG 25 -13.432 -0.133 0.353 1.00 0.00 ATOM 143 O ARG 25 -7.826 -4.950 -3.024 1.00 0.00 ATOM 144 C ARG 25 -8.091 -5.142 -1.823 1.00 0.00 ATOM 148 N GLU 28 -7.172 -8.410 -3.854 1.00 0.00 ATOM 149 CA GLU 28 -7.850 -8.264 -5.139 1.00 0.00 ATOM 150 CB GLU 28 -9.284 -7.773 -4.935 1.00 0.00 ATOM 151 CG GLU 28 -10.082 -7.636 -6.222 1.00 0.00 ATOM 152 CD GLU 28 -11.507 -7.181 -5.978 1.00 0.00 ATOM 153 OE1 GLU 28 -11.876 -6.986 -4.801 1.00 0.00 ATOM 154 OE2 GLU 28 -12.257 -7.019 -6.965 1.00 0.00 ATOM 155 O GLU 28 -6.896 -7.593 -7.246 1.00 0.00 ATOM 156 C GLU 28 -7.159 -7.261 -6.072 1.00 0.00 ATOM 157 N PHE 29 -6.854 -6.052 -5.535 1.00 0.00 ATOM 158 CA PHE 29 -6.185 -5.002 -6.320 1.00 0.00 ATOM 159 CB PHE 29 -5.977 -3.747 -5.469 1.00 0.00 ATOM 160 CG PHE 29 -7.249 -3.023 -5.136 1.00 0.00 ATOM 161 CD1 PHE 29 -8.425 -3.316 -5.805 1.00 0.00 ATOM 162 CD2 PHE 29 -7.271 -2.046 -4.157 1.00 0.00 ATOM 163 CE1 PHE 29 -9.596 -2.649 -5.499 1.00 0.00 ATOM 164 CE2 PHE 29 -8.442 -1.377 -3.851 1.00 0.00 ATOM 165 CZ PHE 29 -9.601 -1.676 -4.518 1.00 0.00 ATOM 166 O PHE 29 -4.528 -5.312 -8.047 1.00 0.00 ATOM 167 C PHE 29 -4.799 -5.424 -6.845 1.00 0.00 ATOM 168 N PHE 30 -3.944 -5.935 -5.958 1.00 0.00 ATOM 169 CA PHE 30 -2.546 -6.223 -6.323 1.00 0.00 ATOM 170 CB PHE 30 -1.621 -5.989 -5.127 1.00 0.00 ATOM 171 CG PHE 30 -1.561 -4.557 -4.676 1.00 0.00 ATOM 172 CD1 PHE 30 -1.949 -3.533 -5.524 1.00 0.00 ATOM 173 CD2 PHE 30 -1.119 -4.234 -3.406 1.00 0.00 ATOM 174 CE1 PHE 30 -1.895 -2.216 -5.109 1.00 0.00 ATOM 175 CE2 PHE 30 -1.066 -2.917 -2.992 1.00 0.00 ATOM 176 CZ PHE 30 -1.450 -1.910 -3.838 1.00 0.00 ATOM 177 O PHE 30 -1.134 -7.992 -7.146 1.00 0.00 ATOM 178 C PHE 30 -2.272 -7.649 -6.789 1.00 0.00 ATOM 179 N GLU 31 -3.300 -8.479 -6.752 1.00 0.00 ATOM 180 CA GLU 31 -3.173 -9.883 -7.091 1.00 0.00 ATOM 181 CB GLU 31 -2.585 -10.044 -8.494 1.00 0.00 ATOM 182 CG GLU 31 -3.444 -9.453 -9.599 1.00 0.00 ATOM 183 CD GLU 31 -2.845 -9.658 -10.978 1.00 0.00 ATOM 184 OE1 GLU 31 -1.727 -10.208 -11.062 1.00 0.00 ATOM 185 OE2 GLU 31 -3.493 -9.268 -11.970 1.00 0.00 ATOM 186 O GLU 31 -1.462 -11.433 -6.536 1.00 0.00 ATOM 187 C GLU 31 -2.266 -10.601 -6.116 1.00 0.00 ATOM 188 N LEU 32 -2.373 -10.273 -4.825 1.00 0.00 ATOM 189 CA LEU 32 -1.579 -10.970 -3.802 1.00 0.00 ATOM 190 CB LEU 32 -1.584 -10.180 -2.491 1.00 0.00 ATOM 191 CG LEU 32 -0.953 -8.787 -2.536 1.00 0.00 ATOM 192 CD1 LEU 32 -1.112 -8.081 -1.199 1.00 0.00 ATOM 193 CD2 LEU 32 0.532 -8.880 -2.852 1.00 0.00 ATOM 194 O LEU 32 -3.393 -12.487 -3.484 1.00 0.00 ATOM 195 C LEU 32 -2.173 -12.336 -3.556 1.00 0.00 ATOM 196 N GLU 33 -1.285 -13.320 -3.429 1.00 0.00 ATOM 197 CA GLU 33 -1.647 -14.697 -3.120 1.00 0.00 ATOM 198 CB GLU 33 -0.480 -15.638 -3.420 1.00 0.00 ATOM 199 CG GLU 33 -0.149 -15.766 -4.898 1.00 0.00 ATOM 200 CD GLU 33 1.052 -16.657 -5.153 1.00 0.00 ATOM 201 OE1 GLU 33 1.661 -17.126 -4.169 1.00 0.00 ATOM 202 OE2 GLU 33 1.381 -16.885 -6.335 1.00 0.00 ATOM 203 O GLU 33 -2.942 -15.564 -1.293 1.00 0.00 ATOM 204 C GLU 33 -2.010 -14.834 -1.648 1.00 0.00 ATOM 205 N ALA 34 -1.234 -14.139 -0.812 1.00 0.00 ATOM 206 CA ALA 34 -1.340 -14.174 0.639 1.00 0.00 ATOM 207 CB ALA 34 -0.441 -15.259 1.210 1.00 0.00 ATOM 208 O ALA 34 -0.433 -11.942 0.512 1.00 0.00 ATOM 209 C ALA 34 -0.918 -12.827 1.223 1.00 0.00 ATOM 210 N PRO 35 -1.101 -12.683 2.526 1.00 0.00 ATOM 211 CA PRO 35 -0.610 -11.529 3.251 1.00 0.00 ATOM 212 CB PRO 35 -1.875 -10.732 3.579 1.00 0.00 ATOM 213 CG PRO 35 -2.955 -11.760 3.648 1.00 0.00 ATOM 214 CD PRO 35 -2.609 -12.799 2.621 1.00 0.00 ATOM 215 O PRO 35 -0.201 -13.152 4.948 1.00 0.00 ATOM 216 C PRO 35 0.108 -12.049 4.490 1.00 0.00 ATOM 217 N PRO 37 1.069 -11.274 5.042 1.00 0.00 ATOM 218 CA PRO 37 1.734 -11.802 6.241 1.00 0.00 ATOM 219 CB PRO 37 2.828 -10.776 6.541 1.00 0.00 ATOM 220 CG PRO 37 2.337 -9.513 5.914 1.00 0.00 ATOM 221 CD PRO 37 1.586 -9.926 4.681 1.00 0.00 ATOM 222 O PRO 37 -0.186 -11.213 7.536 1.00 0.00 ATOM 223 C PRO 37 0.789 -11.945 7.436 1.00 0.00 ATOM 224 N GLY 38 1.070 -12.894 8.322 1.00 0.00 ATOM 225 CA GLY 38 0.245 -13.113 9.518 1.00 0.00 ATOM 226 O GLY 38 -2.074 -12.816 9.984 1.00 0.00 ATOM 227 C GLY 38 -1.236 -13.251 9.191 1.00 0.00 ATOM 228 N GLU 39 -1.564 -13.829 8.037 1.00 0.00 ATOM 229 CA GLU 39 -2.957 -13.937 7.625 1.00 0.00 ATOM 230 CB GLU 39 -3.064 -14.645 6.274 1.00 0.00 ATOM 231 CG GLU 39 -4.481 -14.747 5.736 1.00 0.00 ATOM 232 CD GLU 39 -4.541 -15.407 4.372 1.00 0.00 ATOM 233 OE1 GLU 39 -3.473 -15.787 3.849 1.00 0.00 ATOM 234 OE2 GLU 39 -5.657 -15.546 3.827 1.00 0.00 ATOM 235 O GLU 39 -3.210 -15.694 9.243 1.00 0.00 ATOM 236 C GLU 39 -3.749 -14.738 8.666 1.00 0.00 ATOM 237 N ALA 40 -4.994 -14.375 8.885 1.00 0.00 ATOM 238 CA ALA 40 -5.761 -14.964 9.961 1.00 0.00 ATOM 239 CB ALA 40 -6.078 -16.419 9.650 1.00 0.00 ATOM 240 O ALA 40 -5.450 -15.950 12.029 1.00 0.00 ATOM 241 C ALA 40 -5.170 -15.008 11.333 1.00 0.00 ATOM 242 N GLY 41 -4.394 -14.016 11.720 1.00 0.00 ATOM 243 CA GLY 41 -3.865 -13.912 13.095 1.00 0.00 ATOM 244 O GLY 41 -3.794 -12.203 14.829 1.00 0.00 ATOM 245 C GLY 41 -4.319 -12.583 13.785 1.00 0.00 ATOM 246 N GLY 42 -5.206 -11.846 13.103 1.00 0.00 ATOM 247 CA GLY 42 -5.859 -10.649 13.652 1.00 0.00 ATOM 248 O GLY 42 -5.044 -8.960 15.219 1.00 0.00 ATOM 249 C GLY 42 -4.870 -9.587 14.120 1.00 0.00 ATOM 250 N ASN 43 -3.841 -9.383 13.256 1.00 0.00 ATOM 251 CA ASN 43 -2.676 -8.594 13.651 1.00 0.00 ATOM 252 CB ASN 43 -1.393 -9.218 13.100 1.00 0.00 ATOM 253 CG ASN 43 -1.090 -10.569 13.718 1.00 0.00 ATOM 254 ND2 ASN 43 -0.337 -11.393 12.998 1.00 0.00 ATOM 255 OD1 ASN 43 -1.526 -10.866 14.830 1.00 0.00 ATOM 256 O ASN 43 -2.430 -6.192 13.764 1.00 0.00 ATOM 257 C ASN 43 -2.809 -7.171 13.106 1.00 0.00 ATOM 258 N ILE 44 -3.315 -7.059 11.880 1.00 0.00 ATOM 259 CA ILE 44 -3.535 -5.773 11.241 1.00 0.00 ATOM 260 CB ILE 44 -2.285 -5.305 10.473 1.00 0.00 ATOM 261 CG1 ILE 44 -2.428 -3.836 10.069 1.00 0.00 ATOM 262 CG2 ILE 44 -2.091 -6.134 9.212 1.00 0.00 ATOM 263 CD1 ILE 44 -2.249 -2.867 11.217 1.00 0.00 ATOM 264 O ILE 44 -5.006 -7.192 9.951 1.00 0.00 ATOM 265 C ILE 44 -4.695 -6.022 10.298 1.00 0.00 ATOM 266 N HIS 45 -5.366 -4.961 9.891 1.00 0.00 ATOM 267 CA HIS 45 -6.517 -5.074 9.024 1.00 0.00 ATOM 268 CB HIS 45 -7.798 -4.724 9.786 1.00 0.00 ATOM 269 CG HIS 45 -8.068 -5.617 10.956 1.00 0.00 ATOM 270 CD2 HIS 45 -8.004 -5.478 12.404 1.00 0.00 ATOM 271 ND1 HIS 45 -8.485 -6.923 10.816 1.00 0.00 ATOM 272 CE1 HIS 45 -8.642 -7.466 12.037 1.00 0.00 ATOM 273 NE2 HIS 45 -8.356 -6.605 12.994 1.00 0.00 ATOM 274 O HIS 45 -7.355 -4.279 7.003 1.00 0.00 ATOM 275 C HIS 45 -6.498 -4.203 7.849 1.00 0.00 ATOM 276 N THR 46 -5.486 -3.374 7.783 1.00 0.00 ATOM 277 CA THR 46 -5.384 -2.456 6.672 1.00 0.00 ATOM 278 CB THR 46 -5.636 -1.003 7.116 1.00 0.00 ATOM 279 CG2 THR 46 -6.986 -0.884 7.809 1.00 0.00 ATOM 280 OG1 THR 46 -4.609 -0.593 8.027 1.00 0.00 ATOM 281 O THR 46 -3.103 -3.173 6.660 1.00 0.00 ATOM 282 C THR 46 -4.006 -2.541 6.080 1.00 0.00 ATOM 283 N LEU 47 -3.840 -1.893 4.930 1.00 0.00 ATOM 284 CA LEU 47 -2.535 -1.791 4.286 1.00 0.00 ATOM 285 CB LEU 47 -2.637 -0.982 2.992 1.00 0.00 ATOM 286 CG LEU 47 -3.380 -1.650 1.833 1.00 0.00 ATOM 287 CD1 LEU 47 -3.576 -0.672 0.684 1.00 0.00 ATOM 288 CD2 LEU 47 -2.600 -2.846 1.311 1.00 0.00 ATOM 289 O LEU 47 -0.415 -1.573 5.342 1.00 0.00 ATOM 290 C LEU 47 -1.530 -1.102 5.200 1.00 0.00 ATOM 291 N ALA 48 -1.931 0.020 5.806 1.00 0.00 ATOM 292 CA ALA 48 -1.119 0.694 6.817 1.00 0.00 ATOM 293 CB ALA 48 -1.952 1.725 7.564 1.00 0.00 ATOM 294 O ALA 48 0.666 -0.318 8.119 1.00 0.00 ATOM 295 C ALA 48 -0.544 -0.292 7.875 1.00 0.00 ATOM 296 N GLY 49 -1.399 -1.124 8.478 1.00 0.00 ATOM 297 CA GLY 49 -0.964 -2.067 9.514 1.00 0.00 ATOM 298 O GLY 49 0.785 -3.696 9.741 1.00 0.00 ATOM 299 C GLY 49 -0.053 -3.176 8.999 1.00 0.00 ATOM 300 N VAL 50 -0.229 -3.563 7.734 1.00 0.00 ATOM 301 CA VAL 50 0.610 -4.587 7.097 1.00 0.00 ATOM 302 CB VAL 50 0.037 -5.018 5.734 1.00 0.00 ATOM 303 CG1 VAL 50 1.012 -5.933 5.011 1.00 0.00 ATOM 304 CG2 VAL 50 -1.275 -5.765 5.921 1.00 0.00 ATOM 305 O VAL 50 3.006 -4.667 7.198 1.00 0.00 ATOM 306 C VAL 50 1.998 -4.017 6.883 1.00 0.00 ATOM 307 N MET 51 2.051 -2.784 6.368 1.00 0.00 ATOM 308 CA MET 51 3.335 -2.090 6.201 1.00 0.00 ATOM 309 CB MET 51 3.118 -0.696 5.611 1.00 0.00 ATOM 310 CG MET 51 4.403 0.056 5.307 1.00 0.00 ATOM 311 SD MET 51 4.104 1.718 4.673 1.00 0.00 ATOM 312 CE MET 51 3.353 1.345 3.090 1.00 0.00 ATOM 313 O MET 51 5.237 -2.253 7.634 1.00 0.00 ATOM 314 C MET 51 4.055 -1.930 7.536 1.00 0.00 ATOM 315 N LEU 52 3.329 -1.492 8.565 1.00 0.00 ATOM 316 CA LEU 52 3.900 -1.398 9.894 1.00 0.00 ATOM 317 CB LEU 52 2.852 -0.906 10.894 1.00 0.00 ATOM 318 CG LEU 52 3.320 -0.742 12.341 1.00 0.00 ATOM 319 CD1 LEU 52 4.435 0.289 12.432 1.00 0.00 ATOM 320 CD2 LEU 52 2.173 -0.280 13.228 1.00 0.00 ATOM 321 O LEU 52 5.493 -2.824 11.012 1.00 0.00 ATOM 322 C LEU 52 4.430 -2.766 10.406 1.00 0.00 ATOM 323 N TYR 53 3.655 -3.849 10.213 1.00 0.00 ATOM 324 CA TYR 53 4.123 -5.190 10.546 1.00 0.00 ATOM 325 CB TYR 53 3.080 -6.236 10.150 1.00 0.00 ATOM 326 CG TYR 53 3.506 -7.661 10.426 1.00 0.00 ATOM 327 CD1 TYR 53 3.419 -8.194 11.705 1.00 0.00 ATOM 328 CD2 TYR 53 3.992 -8.468 9.405 1.00 0.00 ATOM 329 CE1 TYR 53 3.807 -9.495 11.966 1.00 0.00 ATOM 330 CE2 TYR 53 4.384 -9.772 9.648 1.00 0.00 ATOM 331 CZ TYR 53 4.287 -10.280 10.941 1.00 0.00 ATOM 332 OH TYR 53 4.673 -11.576 11.199 1.00 0.00 ATOM 333 O TYR 53 6.447 -5.912 10.438 1.00 0.00 ATOM 334 C TYR 53 5.451 -5.524 9.802 1.00 0.00 ATOM 335 N GLN 54 5.475 -5.333 8.480 1.00 0.00 ATOM 336 CA GLN 54 6.683 -5.660 7.677 1.00 0.00 ATOM 337 CB GLN 54 6.435 -5.367 6.196 1.00 0.00 ATOM 338 CG GLN 54 7.556 -5.827 5.276 1.00 0.00 ATOM 339 CD GLN 54 7.756 -7.328 5.306 1.00 0.00 ATOM 340 OE1 GLN 54 6.793 -8.093 5.253 1.00 0.00 ATOM 341 NE2 GLN 54 9.011 -7.756 5.392 1.00 0.00 ATOM 342 O GLN 54 9.044 -5.404 8.007 1.00 0.00 ATOM 343 C GLN 54 7.926 -4.878 8.067 1.00 0.00 ATOM 344 N LEU 55 7.732 -3.627 8.473 1.00 0.00 ATOM 345 CA LEU 55 8.840 -2.797 8.923 1.00 0.00 ATOM 346 CB LEU 55 8.458 -1.317 8.865 1.00 0.00 ATOM 347 CG LEU 55 8.177 -0.743 7.477 1.00 0.00 ATOM 348 CD1 LEU 55 7.717 0.705 7.575 1.00 0.00 ATOM 349 CD2 LEU 55 9.430 -0.785 6.614 1.00 0.00 ATOM 350 O LEU 55 10.375 -2.861 10.764 1.00 0.00 ATOM 351 C LEU 55 9.237 -3.122 10.355 1.00 0.00 ATOM 352 N GLY 56 8.306 -3.685 11.108 1.00 0.00 ATOM 353 CA GLY 56 8.518 -3.972 12.538 1.00 0.00 ATOM 354 O GLY 56 9.287 -2.712 14.412 1.00 0.00 ATOM 355 C GLY 56 8.678 -2.690 13.359 1.00 0.00 ATOM 356 N ARG 57 8.121 -1.578 12.881 1.00 0.00 ATOM 357 CA ARG 57 8.159 -0.301 13.607 1.00 0.00 ATOM 358 CB ARG 57 9.565 0.301 13.560 1.00 0.00 ATOM 359 CG ARG 57 10.041 0.655 12.160 1.00 0.00 ATOM 360 CD ARG 57 11.430 1.273 12.190 1.00 0.00 ATOM 361 NE ARG 57 11.958 1.500 10.847 1.00 0.00 ATOM 362 CZ ARG 57 11.714 2.588 10.122 1.00 0.00 ATOM 363 NH1 ARG 57 12.236 2.707 8.909 1.00 0.00 ATOM 364 NH2 ARG 57 10.948 3.553 10.612 1.00 0.00 ATOM 365 O ARG 57 6.619 0.383 11.887 1.00 0.00 ATOM 366 C ARG 57 7.173 0.670 12.954 1.00 0.00 ATOM 367 N VAL 58 6.972 1.824 13.590 1.00 0.00 ATOM 368 CA VAL 58 6.125 2.878 13.024 1.00 0.00 ATOM 369 CB VAL 58 6.054 4.105 13.953 1.00 0.00 ATOM 370 CG1 VAL 58 5.284 5.234 13.285 1.00 0.00 ATOM 371 CG2 VAL 58 5.351 3.748 15.253 1.00 0.00 ATOM 372 O VAL 58 7.858 3.692 11.572 1.00 0.00 ATOM 373 C VAL 58 6.672 3.342 11.676 1.00 0.00 ATOM 374 N PRO 59 5.822 3.310 10.635 1.00 0.00 ATOM 375 CA PRO 59 6.274 3.729 9.321 1.00 0.00 ATOM 376 CB PRO 59 5.125 3.338 8.391 1.00 0.00 ATOM 377 CG PRO 59 3.910 3.382 9.258 1.00 0.00 ATOM 378 CD PRO 59 4.351 2.909 10.615 1.00 0.00 ATOM 379 O PRO 59 6.015 6.016 10.078 1.00 0.00 ATOM 380 C PRO 59 6.542 5.237 9.257 1.00 0.00 ATOM 381 N SER 60 7.367 5.627 8.287 1.00 0.00 ATOM 382 CA SER 60 7.624 7.025 7.955 1.00 0.00 ATOM 383 CB SER 60 9.040 7.424 8.377 1.00 0.00 ATOM 384 OG SER 60 9.203 7.316 9.780 1.00 0.00 ATOM 385 O SER 60 7.687 6.275 5.696 1.00 0.00 ATOM 386 C SER 60 7.481 7.208 6.468 1.00 0.00 ATOM 387 N VAL 61 7.110 8.412 6.074 1.00 0.00 ATOM 388 CA VAL 61 6.978 8.767 4.684 1.00 0.00 ATOM 389 CB VAL 61 6.420 10.193 4.515 1.00 0.00 ATOM 390 CG1 VAL 61 6.383 10.580 3.045 1.00 0.00 ATOM 391 CG2 VAL 61 5.008 10.282 5.073 1.00 0.00 ATOM 392 O VAL 61 9.303 9.347 4.482 1.00 0.00 ATOM 393 C VAL 61 8.356 8.693 4.033 1.00 0.00 ATOM 394 N THR 62 8.463 7.865 3.004 1.00 0.00 ATOM 395 CA THR 62 9.757 7.590 2.371 1.00 0.00 ATOM 396 CB THR 62 10.879 8.451 2.982 1.00 0.00 ATOM 397 CG2 THR 62 10.571 9.931 2.805 1.00 0.00 ATOM 398 OG1 THR 62 10.994 8.166 4.381 1.00 0.00 ATOM 399 O THR 62 11.031 5.689 1.849 1.00 0.00 ATOM 400 C THR 62 10.152 6.137 2.542 1.00 0.00 ATOM 401 N ASP 63 9.508 5.425 3.485 1.00 0.00 ATOM 402 CA ASP 63 9.830 4.015 3.772 1.00 0.00 ATOM 403 CB ASP 63 9.135 3.559 5.058 1.00 0.00 ATOM 404 CG ASP 63 9.772 4.141 6.303 1.00 0.00 ATOM 405 OD1 ASP 63 10.863 4.740 6.190 1.00 0.00 ATOM 406 OD2 ASP 63 9.181 3.999 7.395 1.00 0.00 ATOM 407 O ASP 63 8.316 3.277 2.063 1.00 0.00 ATOM 408 C ASP 63 9.384 3.083 2.653 1.00 0.00 ATOM 409 N ARG 64 10.186 2.045 2.419 1.00 0.00 ATOM 410 CA ARG 64 9.947 1.094 1.341 1.00 0.00 ATOM 411 CB ARG 64 11.081 1.153 0.314 1.00 0.00 ATOM 412 CG ARG 64 10.923 0.179 -0.841 1.00 0.00 ATOM 413 CD ARG 64 12.055 0.323 -1.845 1.00 0.00 ATOM 414 NE ARG 64 11.949 -0.645 -2.932 1.00 0.00 ATOM 415 CZ ARG 64 12.764 -0.682 -3.982 1.00 0.00 ATOM 416 NH1 ARG 64 12.592 -1.601 -4.923 1.00 0.00 ATOM 417 NH2 ARG 64 13.749 0.199 -4.087 1.00 0.00 ATOM 418 O ARG 64 10.779 -0.689 2.718 1.00 0.00 ATOM 419 C ARG 64 9.882 -0.288 1.977 1.00 0.00 ATOM 420 N PHE 65 8.809 -1.020 1.707 1.00 0.00 ATOM 421 CA PHE 65 8.833 -2.442 2.027 1.00 0.00 ATOM 422 CB PHE 65 7.871 -2.750 3.175 1.00 0.00 ATOM 423 CG PHE 65 6.433 -2.458 2.855 1.00 0.00 ATOM 424 CD1 PHE 65 5.597 -3.456 2.386 1.00 0.00 ATOM 425 CD2 PHE 65 5.915 -1.185 3.024 1.00 0.00 ATOM 426 CE1 PHE 65 4.273 -3.187 2.091 1.00 0.00 ATOM 427 CE2 PHE 65 4.592 -0.918 2.729 1.00 0.00 ATOM 428 CZ PHE 65 3.772 -1.911 2.265 1.00 0.00 ATOM 429 O PHE 65 8.048 -2.822 -0.219 1.00 0.00 ATOM 430 C PHE 65 8.421 -3.320 0.831 1.00 0.00 ATOM 431 N GLU 66 8.493 -4.629 1.011 1.00 0.00 ATOM 432 CA GLU 66 8.383 -5.569 -0.095 1.00 0.00 ATOM 433 CB GLU 66 9.769 -6.058 -0.523 1.00 0.00 ATOM 434 CG GLU 66 10.680 -4.959 -1.046 1.00 0.00 ATOM 435 CD GLU 66 12.029 -5.486 -1.495 1.00 0.00 ATOM 436 OE1 GLU 66 12.259 -6.708 -1.375 1.00 0.00 ATOM 437 OE2 GLU 66 12.855 -4.678 -1.968 1.00 0.00 ATOM 438 O GLU 66 7.636 -7.244 1.441 1.00 0.00 ATOM 439 C GLU 66 7.558 -6.773 0.302 1.00 0.00 ATOM 440 N TRP 67 6.772 -7.266 -0.650 1.00 0.00 ATOM 441 CA TRP 67 5.943 -8.440 -0.463 1.00 0.00 ATOM 442 CB TRP 67 4.687 -8.087 0.336 1.00 0.00 ATOM 443 CG TRP 67 3.839 -9.274 0.675 1.00 0.00 ATOM 444 CD1 TRP 67 2.734 -9.711 0.006 1.00 0.00 ATOM 445 CD2 TRP 67 4.028 -10.178 1.773 1.00 0.00 ATOM 446 CE2 TRP 67 2.999 -11.138 1.703 1.00 0.00 ATOM 447 CE3 TRP 67 4.967 -10.270 2.805 1.00 0.00 ATOM 448 NE1 TRP 67 2.221 -10.832 0.614 1.00 0.00 ATOM 449 CZ2 TRP 67 2.884 -12.176 2.625 1.00 0.00 ATOM 450 CZ3 TRP 67 4.847 -11.299 3.717 1.00 0.00 ATOM 451 CH2 TRP 67 3.816 -12.241 3.625 1.00 0.00 ATOM 452 O TRP 67 4.902 -8.280 -2.622 1.00 0.00 ATOM 453 C TRP 67 5.532 -8.983 -1.828 1.00 0.00 ATOM 454 N ASN 68 5.892 -10.250 -2.074 1.00 0.00 ATOM 455 CA ASN 68 5.606 -10.957 -3.321 1.00 0.00 ATOM 456 CB ASN 68 4.096 -11.070 -3.538 1.00 0.00 ATOM 457 CG ASN 68 3.415 -11.900 -2.468 1.00 0.00 ATOM 458 ND2 ASN 68 2.142 -11.611 -2.217 1.00 0.00 ATOM 459 OD1 ASN 68 4.025 -12.788 -1.875 1.00 0.00 ATOM 460 O ASN 68 7.416 -10.021 -4.583 1.00 0.00 ATOM 461 C ASN 68 6.206 -10.220 -4.523 1.00 0.00 ATOM 462 N GLY 69 5.373 -9.822 -5.477 1.00 0.00 ATOM 463 CA GLY 69 5.870 -9.096 -6.658 1.00 0.00 ATOM 464 O GLY 69 6.002 -6.814 -7.420 1.00 0.00 ATOM 465 C GLY 69 5.813 -7.563 -6.472 1.00 0.00 ATOM 466 N PHE 70 5.595 -7.100 -5.242 1.00 0.00 ATOM 467 CA PHE 70 5.381 -5.653 -4.989 1.00 0.00 ATOM 468 CB PHE 70 4.021 -5.421 -4.328 1.00 0.00 ATOM 469 CG PHE 70 2.853 -5.802 -5.192 1.00 0.00 ATOM 470 CD1 PHE 70 2.304 -7.070 -5.118 1.00 0.00 ATOM 471 CD2 PHE 70 2.304 -4.892 -6.078 1.00 0.00 ATOM 472 CE1 PHE 70 1.231 -7.420 -5.913 1.00 0.00 ATOM 473 CE2 PHE 70 1.229 -5.241 -6.873 1.00 0.00 ATOM 474 CZ PHE 70 0.693 -6.501 -6.794 1.00 0.00 ATOM 475 O PHE 70 6.781 -5.402 -3.022 1.00 0.00 ATOM 476 C PHE 70 6.364 -4.907 -4.085 1.00 0.00 ATOM 477 N SER 71 6.721 -3.708 -4.549 1.00 0.00 ATOM 478 CA SER 71 7.397 -2.676 -3.781 1.00 0.00 ATOM 479 CB SER 71 8.431 -1.955 -4.647 1.00 0.00 ATOM 480 OG SER 71 9.025 -0.877 -3.943 1.00 0.00 ATOM 481 O SER 71 5.506 -1.201 -4.092 1.00 0.00 ATOM 482 C SER 71 6.303 -1.695 -3.314 1.00 0.00 ATOM 483 N PHE 72 6.279 -1.438 -2.017 1.00 0.00 ATOM 484 CA PHE 72 5.310 -0.565 -1.422 1.00 0.00 ATOM 485 CB PHE 72 4.513 -1.305 -0.346 1.00 0.00 ATOM 486 CG PHE 72 3.682 -2.437 -0.877 1.00 0.00 ATOM 487 CD1 PHE 72 4.198 -3.719 -0.946 1.00 0.00 ATOM 488 CD2 PHE 72 2.384 -2.220 -1.307 1.00 0.00 ATOM 489 CE1 PHE 72 3.432 -4.762 -1.436 1.00 0.00 ATOM 490 CE2 PHE 72 1.620 -3.262 -1.796 1.00 0.00 ATOM 491 CZ PHE 72 2.138 -4.529 -1.860 1.00 0.00 ATOM 492 O PHE 72 6.892 0.410 0.078 1.00 0.00 ATOM 493 C PHE 72 6.064 0.606 -0.799 1.00 0.00 ATOM 494 N GLU 73 5.769 1.819 -1.264 1.00 0.00 ATOM 495 CA GLU 73 6.454 3.039 -0.819 1.00 0.00 ATOM 496 CB GLU 73 6.993 3.821 -2.020 1.00 0.00 ATOM 497 CG GLU 73 8.095 3.102 -2.781 1.00 0.00 ATOM 498 CD GLU 73 8.635 3.924 -3.937 1.00 0.00 ATOM 499 OE1 GLU 73 8.145 5.055 -4.140 1.00 0.00 ATOM 500 OE2 GLU 73 9.546 3.436 -4.638 1.00 0.00 ATOM 501 O GLU 73 4.327 4.124 -0.541 1.00 0.00 ATOM 502 C GLU 73 5.438 3.905 -0.053 1.00 0.00 ATOM 503 N VAL 74 5.814 4.366 1.150 1.00 0.00 ATOM 504 CA VAL 74 4.930 5.217 1.948 1.00 0.00 ATOM 505 CB VAL 74 5.303 5.173 3.441 1.00 0.00 ATOM 506 CG1 VAL 74 4.418 6.119 4.240 1.00 0.00 ATOM 507 CG2 VAL 74 5.126 3.768 3.995 1.00 0.00 ATOM 508 O VAL 74 6.192 7.242 1.454 1.00 0.00 ATOM 509 C VAL 74 5.089 6.642 1.414 1.00 0.00 ATOM 510 N VAL 75 3.975 7.162 0.906 1.00 0.00 ATOM 511 CA VAL 75 3.949 8.412 0.150 1.00 0.00 ATOM 512 CB VAL 75 3.039 8.303 -1.089 1.00 0.00 ATOM 513 CG1 VAL 75 2.890 9.658 -1.761 1.00 0.00 ATOM 514 CG2 VAL 75 3.626 7.326 -2.096 1.00 0.00 ATOM 515 O VAL 75 3.884 10.639 0.959 1.00 0.00 ATOM 516 C VAL 75 3.420 9.532 1.044 1.00 0.00 ATOM 517 N ASP 76 2.518 9.205 1.954 1.00 0.00 ATOM 518 CA ASP 76 1.944 10.188 2.861 1.00 0.00 ATOM 519 CB ASP 76 0.757 10.893 2.203 1.00 0.00 ATOM 520 CG ASP 76 0.437 12.226 2.853 1.00 0.00 ATOM 521 OD1 ASP 76 1.178 12.630 3.774 1.00 0.00 ATOM 522 OD2 ASP 76 -0.553 12.865 2.441 1.00 0.00 ATOM 523 O ASP 76 1.017 8.421 4.137 1.00 0.00 ATOM 524 C ASP 76 1.443 9.557 4.155 1.00 0.00 ATOM 525 N MET 77 1.483 10.297 5.263 1.00 0.00 ATOM 526 CA MET 77 0.995 9.818 6.541 1.00 0.00 ATOM 527 CB MET 77 2.127 9.791 7.570 1.00 0.00 ATOM 528 CG MET 77 3.245 8.817 7.238 1.00 0.00 ATOM 529 SD MET 77 4.563 8.823 8.468 1.00 0.00 ATOM 530 CE MET 77 3.752 8.002 9.837 1.00 0.00 ATOM 531 O MET 77 -0.024 11.935 6.845 1.00 0.00 ATOM 532 C MET 77 -0.091 10.719 7.043 1.00 0.00 ATOM 533 N ASP 78 -1.016 10.126 7.787 1.00 0.00 ATOM 534 CA ASP 78 -1.901 10.877 8.702 1.00 0.00 ATOM 535 CB ASP 78 -3.354 10.436 8.522 1.00 0.00 ATOM 536 CG ASP 78 -4.316 11.232 9.384 1.00 0.00 ATOM 537 OD1 ASP 78 -3.844 12.062 10.190 1.00 0.00 ATOM 538 OD2 ASP 78 -5.540 11.026 9.254 1.00 0.00 ATOM 539 O ASP 78 -1.864 9.626 10.739 1.00 0.00 ATOM 540 C ASP 78 -1.455 10.598 10.151 1.00 0.00 ATOM 541 N ARG 79 -0.625 11.466 10.712 1.00 0.00 ATOM 542 CA ARG 79 0.096 11.191 11.962 1.00 0.00 ATOM 543 CB ARG 79 -0.841 11.332 13.163 1.00 0.00 ATOM 544 CG ARG 79 -1.365 12.742 13.380 1.00 0.00 ATOM 545 CD ARG 79 -2.248 12.819 14.614 1.00 0.00 ATOM 546 NE ARG 79 -2.761 14.170 14.836 1.00 0.00 ATOM 547 CZ ARG 79 -3.596 14.499 15.817 1.00 0.00 ATOM 548 NH1 ARG 79 -4.010 15.752 15.941 1.00 0.00 ATOM 549 NH2 ARG 79 -4.016 13.574 16.670 1.00 0.00 ATOM 550 O ARG 79 1.527 9.422 11.135 1.00 0.00 ATOM 551 C ARG 79 0.687 9.743 11.985 1.00 0.00 ATOM 552 N THR 80 0.246 8.880 12.914 1.00 0.00 ATOM 553 CA THR 80 0.822 7.503 13.036 1.00 0.00 ATOM 554 CB THR 80 0.406 6.835 14.359 1.00 0.00 ATOM 555 CG2 THR 80 0.883 7.658 15.546 1.00 0.00 ATOM 556 OG1 THR 80 -1.021 6.723 14.414 1.00 0.00 ATOM 557 O THR 80 1.066 5.436 11.847 1.00 0.00 ATOM 558 C THR 80 0.436 6.487 11.964 1.00 0.00 ATOM 559 N ARG 81 -0.600 6.766 11.189 1.00 0.00 ATOM 560 CA ARG 81 -1.078 5.759 10.238 1.00 0.00 ATOM 561 CB ARG 81 -2.593 5.582 10.360 1.00 0.00 ATOM 562 CG ARG 81 -3.045 4.994 11.688 1.00 0.00 ATOM 563 CD ARG 81 -4.546 4.758 11.705 1.00 0.00 ATOM 564 NE ARG 81 -4.995 4.178 12.969 1.00 0.00 ATOM 565 CZ ARG 81 -6.269 3.977 13.287 1.00 0.00 ATOM 566 NH1 ARG 81 -6.582 3.445 14.462 1.00 0.00 ATOM 567 NH2 ARG 81 -7.226 4.308 12.433 1.00 0.00 ATOM 568 O ARG 81 -0.693 7.353 8.506 1.00 0.00 ATOM 569 C ARG 81 -0.759 6.172 8.795 1.00 0.00 ATOM 570 N VAL 82 -0.550 5.205 7.910 1.00 0.00 ATOM 571 CA VAL 82 -0.232 5.542 6.529 1.00 0.00 ATOM 572 CB VAL 82 0.357 4.335 5.775 1.00 0.00 ATOM 573 CG1 VAL 82 0.569 4.676 4.307 1.00 0.00 ATOM 574 CG2 VAL 82 1.696 3.935 6.375 1.00 0.00 ATOM 575 O VAL 82 -2.537 5.398 5.928 1.00 0.00 ATOM 576 C VAL 82 -1.462 5.989 5.786 1.00 0.00 ATOM 577 N ASP 83 -1.301 7.024 4.974 1.00 0.00 ATOM 578 CA ASP 83 -2.454 7.617 4.299 1.00 0.00 ATOM 579 CB ASP 83 -2.438 9.139 4.450 1.00 0.00 ATOM 580 CG ASP 83 -2.718 9.587 5.872 1.00 0.00 ATOM 581 OD1 ASP 83 -3.129 8.738 6.692 1.00 0.00 ATOM 582 OD2 ASP 83 -2.527 10.785 6.165 1.00 0.00 ATOM 583 O ASP 83 -3.473 6.934 2.226 1.00 0.00 ATOM 584 C ASP 83 -2.429 7.273 2.799 1.00 0.00 ATOM 585 N LYS 84 -1.237 7.343 2.182 1.00 0.00 ATOM 586 CA LYS 84 -1.056 6.945 0.767 1.00 0.00 ATOM 587 CB LYS 84 -0.902 8.181 -0.123 1.00 0.00 ATOM 588 CG LYS 84 -2.147 9.053 -0.191 1.00 0.00 ATOM 589 CD LYS 84 -1.940 10.236 -1.123 1.00 0.00 ATOM 590 CE LYS 84 -3.157 11.146 -1.139 1.00 0.00 ATOM 591 NZ LYS 84 -2.968 12.311 -2.046 1.00 0.00 ATOM 592 O LYS 84 1.195 6.262 1.196 1.00 0.00 ATOM 593 C LYS 84 0.181 6.075 0.538 1.00 0.00 ATOM 594 N ILE 85 0.055 5.111 -0.379 1.00 0.00 ATOM 595 CA ILE 85 1.061 4.096 -0.635 1.00 0.00 ATOM 596 CB ILE 85 0.690 2.754 0.022 1.00 0.00 ATOM 597 CG1 ILE 85 0.574 2.916 1.539 1.00 0.00 ATOM 598 CG2 ILE 85 1.752 1.706 -0.270 1.00 0.00 ATOM 599 CD1 ILE 85 0.048 1.687 2.247 1.00 0.00 ATOM 600 O ILE 85 0.133 3.788 -2.796 1.00 0.00 ATOM 601 C ILE 85 1.153 3.916 -2.138 1.00 0.00 ATOM 602 N LEU 86 2.379 3.914 -2.665 1.00 0.00 ATOM 603 CA LEU 86 2.624 3.617 -4.068 1.00 0.00 ATOM 604 CB LEU 86 3.684 4.562 -4.639 1.00 0.00 ATOM 605 CG LEU 86 4.081 4.333 -6.099 1.00 0.00 ATOM 606 CD1 LEU 86 2.905 4.603 -7.024 1.00 0.00 ATOM 607 CD2 LEU 86 5.221 5.257 -6.497 1.00 0.00 ATOM 608 O LEU 86 4.184 1.830 -3.692 1.00 0.00 ATOM 609 C LEU 86 3.117 2.177 -4.205 1.00 0.00 ATOM 610 N VAL 87 2.330 1.354 -4.896 1.00 0.00 ATOM 611 CA VAL 87 2.675 -0.033 -5.164 1.00 0.00 ATOM 612 CB VAL 87 1.473 -0.967 -4.930 1.00 0.00 ATOM 613 CG1 VAL 87 1.842 -2.404 -5.270 1.00 0.00 ATOM 614 CG2 VAL 87 1.035 -0.916 -3.474 1.00 0.00 ATOM 615 O VAL 87 2.416 0.223 -7.547 1.00 0.00 ATOM 616 C VAL 87 3.123 -0.190 -6.610 1.00 0.00 ATOM 617 N GLN 88 4.290 -0.801 -6.784 1.00 0.00 ATOM 618 CA GLN 88 4.896 -1.050 -8.085 1.00 0.00 ATOM 619 CB GLN 88 6.106 -0.137 -8.296 1.00 0.00 ATOM 620 CG GLN 88 6.777 -0.299 -9.650 1.00 0.00 ATOM 621 CD GLN 88 7.897 0.698 -9.868 1.00 0.00 ATOM 622 OE1 GLN 88 8.210 1.498 -8.986 1.00 0.00 ATOM 623 NE2 GLN 88 8.507 0.654 -11.047 1.00 0.00 ATOM 624 O GLN 88 5.968 -3.018 -7.177 1.00 0.00 ATOM 625 C GLN 88 5.338 -2.508 -8.124 1.00 0.00 ATOM 626 N ARG 89 4.992 -3.168 -9.219 1.00 0.00 ATOM 627 CA ARG 89 5.335 -4.558 -9.431 1.00 0.00 ATOM 628 CB ARG 89 4.396 -5.192 -10.460 1.00 0.00 ATOM 629 CG ARG 89 4.653 -6.669 -10.708 1.00 0.00 ATOM 630 CD ARG 89 3.652 -7.244 -11.697 1.00 0.00 ATOM 631 NE ARG 89 3.919 -8.650 -11.990 1.00 0.00 ATOM 632 CZ ARG 89 3.372 -9.320 -12.999 1.00 0.00 ATOM 633 NH1 ARG 89 3.674 -10.597 -13.189 1.00 0.00 ATOM 634 NH2 ARG 89 2.525 -8.711 -13.818 1.00 0.00 ATOM 635 O ARG 89 7.070 -4.265 -11.064 1.00 0.00 ATOM 636 C ARG 89 6.774 -4.688 -9.946 1.00 0.00 ATOM 637 N HIS 90 7.650 -5.262 -9.121 1.00 0.00 ATOM 638 CA HIS 90 9.047 -5.564 -9.493 1.00 0.00 ATOM 639 CB HIS 90 9.802 -6.159 -8.302 1.00 0.00 ATOM 640 CG HIS 90 11.231 -6.492 -8.598 1.00 0.00 ATOM 641 CD2 HIS 90 12.009 -7.717 -8.720 1.00 0.00 ATOM 642 ND1 HIS 90 12.186 -5.528 -8.838 1.00 0.00 ATOM 643 CE1 HIS 90 13.366 -6.128 -9.071 1.00 0.00 ATOM 644 NE2 HIS 90 13.267 -7.443 -9.001 1.00 0.00 ATOM 645 O HIS 90 8.771 -7.742 -10.491 1.00 0.00 ATOM 646 C HIS 90 9.139 -6.571 -10.646 1.00 0.00 ATOM 647 N HIS 91 9.628 -6.121 -11.800 1.00 0.00 ATOM 648 CA HIS 91 9.589 -6.931 -13.033 1.00 0.00 ATOM 649 CB HIS 91 10.718 -7.963 -13.029 1.00 0.00 ATOM 650 CG HIS 91 12.083 -7.367 -12.876 1.00 0.00 ATOM 651 CD2 HIS 91 13.106 -7.369 -11.841 1.00 0.00 ATOM 652 ND1 HIS 91 12.672 -6.598 -13.855 1.00 0.00 ATOM 653 CE1 HIS 91 13.889 -6.207 -13.433 1.00 0.00 ATOM 654 NE2 HIS 91 14.154 -6.665 -12.225 1.00 0.00 ATOM 655 O HIS 91 7.230 -7.139 -13.590 1.00 0.00 ATOM 656 C HIS 91 8.261 -7.700 -13.191 1.00 0.00 TER END