PFRMAT TS TARGET T0224 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 METHOD This model is the result of sidechain replacement on the backbone of METHOD our top-scoring template with sam-t04 (1m6yA). Sidechain optimization METHOD was done with SCWRL. METHOD METHOD The alignment was created with a 3-track HMM: METHOD T0224-1m6yA-t04-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD METHOD REMARK 6 REMARK 6 T0224 model 5 Mon Aug 16 08:34:55 2004 MODEL 5 PARENT 1m6y_A ATOM 2 N ILE 19 1.049 -3.306 12.728 1.00 0.00 ATOM 3 CA ILE 19 2.047 -4.279 12.283 1.00 0.00 ATOM 4 CB ILE 19 1.384 -5.545 11.708 1.00 0.00 ATOM 5 CG1 ILE 19 0.677 -6.326 12.817 1.00 0.00 ATOM 6 CG2 ILE 19 2.427 -6.450 11.071 1.00 0.00 ATOM 7 CD1 ILE 19 -0.216 -7.437 12.308 1.00 0.00 ATOM 8 O ILE 19 4.134 -4.270 11.084 1.00 0.00 ATOM 9 C ILE 19 3.000 -3.794 11.189 1.00 0.00 ATOM 10 N ARG 20 2.543 -2.842 10.382 1.00 0.00 ATOM 11 CA ARG 20 3.362 -2.305 9.300 1.00 0.00 ATOM 12 CB ARG 20 2.481 -1.646 8.238 1.00 0.00 ATOM 13 CG ARG 20 1.633 -2.624 7.439 1.00 0.00 ATOM 14 CD ARG 20 0.776 -1.903 6.412 1.00 0.00 ATOM 15 NE ARG 20 -0.027 -2.831 5.621 1.00 0.00 ATOM 16 CZ ARG 20 -0.990 -2.459 4.784 1.00 0.00 ATOM 17 NH1 ARG 20 -1.669 -3.374 4.105 1.00 0.00 ATOM 18 NH2 ARG 20 -1.272 -1.172 4.626 1.00 0.00 ATOM 19 O ARG 20 5.416 -1.056 9.295 1.00 0.00 ATOM 20 C ARG 20 4.335 -1.258 9.843 1.00 0.00 ATOM 21 N SER 21 3.936 -0.594 10.924 1.00 0.00 ATOM 22 CA SER 21 4.754 0.438 11.569 1.00 0.00 ATOM 23 CB SER 21 6.017 -0.179 12.173 1.00 0.00 ATOM 24 OG SER 21 5.693 -1.136 13.167 1.00 0.00 ATOM 25 O SER 21 6.414 1.849 10.543 1.00 0.00 ATOM 26 C SER 21 5.224 1.554 10.627 1.00 0.00 ATOM 27 N ALA 22 4.288 2.193 9.903 1.00 0.00 ATOM 28 CA ALA 22 4.719 3.268 9.003 1.00 0.00 ATOM 29 CB ALA 22 3.554 3.746 8.150 1.00 0.00 ATOM 30 O ALA 22 4.525 4.923 10.715 1.00 0.00 ATOM 31 C ALA 22 5.240 4.422 9.856 1.00 0.00 ATOM 32 N LYS 23 6.477 4.837 9.632 1.00 0.00 ATOM 33 CA LYS 23 7.040 5.945 10.394 1.00 0.00 ATOM 34 CB LYS 23 7.409 5.491 11.808 1.00 0.00 ATOM 35 CG LYS 23 8.527 4.464 11.857 1.00 0.00 ATOM 36 CD LYS 23 8.856 4.073 13.289 1.00 0.00 ATOM 37 CE LYS 23 9.961 3.030 13.337 1.00 0.00 ATOM 38 NZ LYS 23 10.332 2.680 14.735 1.00 0.00 ATOM 39 O LYS 23 8.752 5.811 8.740 1.00 0.00 ATOM 40 C LYS 23 8.278 6.443 9.694 1.00 0.00 ATOM 41 N ALA 24 8.795 7.577 10.162 1.00 0.00 ATOM 42 CA ALA 24 9.977 8.187 9.586 1.00 0.00 ATOM 43 CB ALA 24 11.200 7.319 9.842 1.00 0.00 ATOM 44 O ALA 24 8.898 9.037 7.640 1.00 0.00 ATOM 45 C ALA 24 9.820 8.359 8.078 1.00 0.00 ATOM 46 N GLU 25 10.715 7.775 7.288 1.00 0.00 ATOM 47 CA GLU 25 10.619 7.897 5.834 1.00 0.00 ATOM 48 CB GLU 25 11.789 8.719 5.287 1.00 0.00 ATOM 49 CG GLU 25 11.845 10.145 5.813 1.00 0.00 ATOM 50 CD GLU 25 13.047 10.909 5.294 1.00 0.00 ATOM 51 OE1 GLU 25 13.862 10.309 4.563 1.00 0.00 ATOM 52 OE2 GLU 25 13.174 12.108 5.621 1.00 0.00 ATOM 53 O GLU 25 11.364 6.302 4.183 1.00 0.00 ATOM 54 C GLU 25 10.648 6.528 5.156 1.00 0.00 ATOM 55 N ASP 26 9.838 5.619 5.677 1.00 0.00 ATOM 56 CA ASP 26 9.771 4.271 5.120 1.00 0.00 ATOM 57 CB ASP 26 8.975 3.348 6.045 1.00 0.00 ATOM 58 CG ASP 26 9.734 2.994 7.309 1.00 0.00 ATOM 59 OD1 ASP 26 10.946 3.291 7.377 1.00 0.00 ATOM 60 OD2 ASP 26 9.118 2.420 8.230 1.00 0.00 ATOM 61 O ASP 26 8.228 5.108 3.466 1.00 0.00 ATOM 62 C ASP 26 9.091 4.260 3.750 1.00 0.00 ATOM 63 N LYS 27 9.502 3.326 2.897 1.00 0.00 ATOM 64 CA LYS 27 8.874 3.165 1.583 1.00 0.00 ATOM 65 CB LYS 27 9.940 2.960 0.503 1.00 0.00 ATOM 66 CG LYS 27 10.806 4.181 0.246 1.00 0.00 ATOM 67 CD LYS 27 11.886 3.885 -0.781 1.00 0.00 ATOM 68 CE LYS 27 12.785 5.092 -1.000 1.00 0.00 ATOM 69 NZ LYS 27 13.882 4.799 -1.963 1.00 0.00 ATOM 70 O LYS 27 8.471 0.877 2.213 1.00 0.00 ATOM 71 C LYS 27 7.995 1.929 1.764 1.00 0.00 ATOM 72 N ILE 28 6.718 2.048 1.415 1.00 0.00 ATOM 73 CA ILE 28 5.783 0.949 1.577 1.00 0.00 ATOM 74 CB ILE 28 4.608 1.338 2.493 1.00 0.00 ATOM 75 CG1 ILE 28 5.118 1.709 3.887 1.00 0.00 ATOM 76 CG2 ILE 28 3.632 0.180 2.630 1.00 0.00 ATOM 77 CD1 ILE 28 4.062 2.321 4.782 1.00 0.00 ATOM 78 O ILE 28 4.788 1.331 -0.576 1.00 0.00 ATOM 79 C ILE 28 5.186 0.506 0.241 1.00 0.00 ATOM 80 N VAL 29 5.159 -0.801 0.005 1.00 0.00 ATOM 81 CA VAL 29 4.561 -1.326 -1.218 1.00 0.00 ATOM 82 CB VAL 29 5.394 -2.481 -1.804 1.00 0.00 ATOM 83 CG1 VAL 29 4.730 -3.036 -3.054 1.00 0.00 ATOM 84 CG2 VAL 29 6.788 -1.998 -2.174 1.00 0.00 ATOM 85 O VAL 29 3.040 -2.744 -0.034 1.00 0.00 ATOM 86 C VAL 29 3.165 -1.829 -0.845 1.00 0.00 ATOM 87 N LEU 30 2.122 -1.204 -1.398 1.00 0.00 ATOM 88 CA LEU 30 0.740 -1.638 -1.167 1.00 0.00 ATOM 89 CB LEU 30 -0.184 -0.428 -1.025 1.00 0.00 ATOM 90 CG LEU 30 -1.662 -0.731 -0.761 1.00 0.00 ATOM 91 CD1 LEU 30 -1.831 -1.464 0.560 1.00 0.00 ATOM 92 CD2 LEU 30 -2.471 0.555 -0.699 1.00 0.00 ATOM 93 O LEU 30 0.202 -1.918 -3.515 1.00 0.00 ATOM 94 C LEU 30 0.440 -2.465 -2.432 1.00 0.00 ATOM 95 N ILE 31 0.509 -3.787 -2.285 1.00 0.00 ATOM 96 CA ILE 31 0.324 -4.738 -3.386 1.00 0.00 ATOM 97 CB ILE 31 0.658 -6.178 -2.951 1.00 0.00 ATOM 98 CG1 ILE 31 2.092 -6.255 -2.423 1.00 0.00 ATOM 99 CG2 ILE 31 0.525 -7.133 -4.127 1.00 0.00 ATOM 100 CD1 ILE 31 2.451 -7.597 -1.826 1.00 0.00 ATOM 101 O ILE 31 -1.232 -5.412 -5.068 1.00 0.00 ATOM 102 C ILE 31 -1.069 -4.840 -3.983 1.00 0.00 ATOM 103 N GLN 32 -9.019 0.973 -3.911 1.00 0.00 ATOM 104 CA GLN 32 -9.514 2.341 -3.921 1.00 0.00 ATOM 105 CB GLN 32 -10.943 2.399 -3.377 1.00 0.00 ATOM 106 CG GLN 32 -11.979 1.766 -4.291 1.00 0.00 ATOM 107 CD GLN 32 -13.365 1.753 -3.677 1.00 0.00 ATOM 108 OE1 GLN 32 -13.582 2.298 -2.595 1.00 0.00 ATOM 109 NE2 GLN 32 -14.311 1.128 -4.369 1.00 0.00 ATOM 110 O GLN 32 -8.979 4.443 -2.895 1.00 0.00 ATOM 111 C GLN 32 -8.655 3.266 -3.062 1.00 0.00 ATOM 112 N ASN 33 -7.571 2.721 -2.516 1.00 0.00 ATOM 113 CA ASN 33 -6.652 3.522 -1.716 1.00 0.00 ATOM 114 CB ASN 33 -6.605 4.961 -2.237 1.00 0.00 ATOM 115 CG ASN 33 -6.048 5.053 -3.644 1.00 0.00 ATOM 116 ND2 ASN 33 -6.855 5.569 -4.565 1.00 0.00 ATOM 117 OD1 ASN 33 -4.909 4.665 -3.899 1.00 0.00 ATOM 118 O ASN 33 -6.329 4.491 0.435 1.00 0.00 ATOM 119 C ASN 33 -6.947 3.660 -0.233 1.00 0.00 ATOM 120 N GLY 34 -7.866 2.852 0.289 1.00 0.00 ATOM 121 CA GLY 34 -8.223 2.941 1.700 1.00 0.00 ATOM 122 O GLY 34 -6.850 3.656 3.540 1.00 0.00 ATOM 123 C GLY 34 -7.072 2.786 2.687 1.00 0.00 ATOM 124 N VAL 35 -6.330 1.684 2.597 1.00 0.00 ATOM 125 CA VAL 35 -5.206 1.484 3.507 1.00 0.00 ATOM 126 CB VAL 35 -4.603 0.076 3.357 1.00 0.00 ATOM 127 CG1 VAL 35 -3.324 -0.046 4.172 1.00 0.00 ATOM 128 CG2 VAL 35 -5.585 -0.979 3.844 1.00 0.00 ATOM 129 O VAL 35 -3.482 2.996 4.179 1.00 0.00 ATOM 130 C VAL 35 -4.091 2.488 3.244 1.00 0.00 ATOM 131 N PHE 36 -3.801 2.747 1.974 1.00 0.00 ATOM 132 CA PHE 36 -2.737 3.675 1.645 1.00 0.00 ATOM 133 CB PHE 36 -2.558 3.767 0.127 1.00 0.00 ATOM 134 CG PHE 36 -1.475 4.717 -0.297 1.00 0.00 ATOM 135 CD1 PHE 36 -0.145 4.344 -0.240 1.00 0.00 ATOM 136 CD2 PHE 36 -1.788 5.984 -0.757 1.00 0.00 ATOM 137 CE1 PHE 36 0.852 5.217 -0.632 1.00 0.00 ATOM 138 CE2 PHE 36 -0.792 6.859 -1.149 1.00 0.00 ATOM 139 CZ PHE 36 0.524 6.479 -1.088 1.00 0.00 ATOM 140 O PHE 36 -2.155 5.759 2.687 1.00 0.00 ATOM 141 C PHE 36 -3.043 5.078 2.172 1.00 0.00 ATOM 142 N TRP 37 -4.291 5.512 2.056 1.00 0.00 ATOM 143 CA TRP 37 -4.628 6.836 2.566 1.00 0.00 ATOM 144 CB TRP 37 -6.100 7.156 2.297 1.00 0.00 ATOM 145 CG TRP 37 -6.518 8.510 2.779 1.00 0.00 ATOM 146 CD1 TRP 37 -6.398 9.693 2.107 1.00 0.00 ATOM 147 CD2 TRP 37 -7.123 8.824 4.040 1.00 0.00 ATOM 148 CE2 TRP 37 -7.343 10.216 4.063 1.00 0.00 ATOM 149 CE3 TRP 37 -7.502 8.064 5.151 1.00 0.00 ATOM 150 NE1 TRP 37 -6.890 10.724 2.871 1.00 0.00 ATOM 151 CZ2 TRP 37 -7.923 10.863 5.152 1.00 0.00 ATOM 152 CZ3 TRP 37 -8.076 8.711 6.229 1.00 0.00 ATOM 153 CH2 TRP 37 -8.283 10.094 6.225 1.00 0.00 ATOM 154 O TRP 37 -3.824 7.879 4.597 1.00 0.00 ATOM 155 C TRP 37 -4.382 6.897 4.083 1.00 0.00 ATOM 156 N ALA 38 -4.774 5.847 4.799 1.00 0.00 ATOM 157 CA ALA 38 -4.582 5.819 6.246 1.00 0.00 ATOM 158 CB ALA 38 -5.194 4.559 6.839 1.00 0.00 ATOM 159 O ALA 38 -2.679 6.494 7.570 1.00 0.00 ATOM 160 C ALA 38 -3.087 5.840 6.606 1.00 0.00 ATOM 161 N LEU 39 -2.267 5.130 5.832 1.00 0.00 ATOM 162 CA LEU 39 -0.826 5.118 6.080 1.00 0.00 ATOM 163 CB LEU 39 -0.126 4.145 5.130 1.00 0.00 ATOM 164 CG LEU 39 -0.396 2.656 5.364 1.00 0.00 ATOM 165 CD1 LEU 39 0.209 1.819 4.248 1.00 0.00 ATOM 166 CD2 LEU 39 0.210 2.200 6.683 1.00 0.00 ATOM 167 O LEU 39 0.587 6.988 6.667 1.00 0.00 ATOM 168 C LEU 39 -0.230 6.517 5.865 1.00 0.00 ATOM 169 N GLU 40 -0.631 7.173 4.779 1.00 0.00 ATOM 170 CA GLU 40 -0.117 8.506 4.451 1.00 0.00 ATOM 171 CB GLU 40 -0.621 8.952 3.077 1.00 0.00 ATOM 172 CG GLU 40 -0.031 8.168 1.916 1.00 0.00 ATOM 173 CD GLU 40 1.482 8.249 1.867 1.00 0.00 ATOM 174 OE1 GLU 40 2.018 9.376 1.894 1.00 0.00 ATOM 175 OE2 GLU 40 2.132 7.184 1.803 1.00 0.00 ATOM 176 O GLU 40 0.151 10.527 5.715 1.00 0.00 ATOM 177 C GLU 40 -0.561 9.552 5.471 1.00 0.00 ATOM 178 N GLU 41 -1.732 9.345 6.061 1.00 0.00 ATOM 179 CA GLU 41 -2.239 10.268 7.073 1.00 0.00 ATOM 180 CB GLU 41 -3.734 10.044 7.302 1.00 0.00 ATOM 181 CG GLU 41 -4.609 10.437 6.124 1.00 0.00 ATOM 182 CD GLU 41 -4.451 11.897 5.742 1.00 0.00 ATOM 183 OE1 GLU 41 -4.618 12.762 6.627 1.00 0.00 ATOM 184 OE2 GLU 41 -4.163 12.174 4.560 1.00 0.00 ATOM 185 O GLU 41 -1.219 10.967 9.128 1.00 0.00 ATOM 186 C GLU 41 -1.487 10.027 8.375 1.00 0.00 ATOM 187 N LEU 42 -1.141 8.769 8.631 1.00 0.00 ATOM 188 CA LEU 42 -0.427 8.400 9.853 1.00 0.00 ATOM 189 CB LEU 42 -0.507 6.889 10.085 1.00 0.00 ATOM 190 CG LEU 42 -1.899 6.320 10.362 1.00 0.00 ATOM 191 CD1 LEU 42 -1.847 4.802 10.471 1.00 0.00 ATOM 192 CD2 LEU 42 -2.456 6.870 11.666 1.00 0.00 ATOM 193 O LEU 42 1.626 9.071 10.883 1.00 0.00 ATOM 194 C LEU 42 1.050 8.759 9.841 1.00 0.00 ATOM 195 N GLU 43 1.657 8.725 8.660 1.00 0.00 ATOM 196 CA GLU 43 3.081 8.987 8.523 1.00 0.00 ATOM 197 CB GLU 43 3.826 7.708 8.138 1.00 0.00 ATOM 198 CG GLU 43 5.334 7.874 8.038 1.00 0.00 ATOM 199 CD GLU 43 6.034 6.599 7.609 1.00 0.00 ATOM 200 OE1 GLU 43 5.334 5.603 7.328 1.00 0.00 ATOM 201 OE2 GLU 43 7.281 6.596 7.553 1.00 0.00 ATOM 202 O GLU 43 3.364 9.738 6.241 1.00 0.00 ATOM 203 C GLU 43 3.379 10.034 7.445 1.00 0.00 ATOM 204 N THR 44 3.679 11.278 7.866 1.00 0.00 ATOM 205 CA THR 44 3.971 12.341 6.890 1.00 0.00 ATOM 206 CB THR 44 4.171 13.702 7.580 1.00 0.00 ATOM 207 CG2 THR 44 2.922 14.097 8.352 1.00 0.00 ATOM 208 OG1 THR 44 5.275 13.622 8.491 1.00 0.00 ATOM 209 O THR 44 5.347 12.846 5.006 1.00 0.00 ATOM 210 C THR 44 5.207 12.175 6.029 1.00 0.00 ATOM 211 N PRO 45 6.118 11.300 6.438 1.00 0.00 ATOM 212 CA PRO 45 7.345 11.135 5.678 1.00 0.00 ATOM 213 CB PRO 45 8.438 11.077 6.748 1.00 0.00 ATOM 214 CG PRO 45 7.804 10.356 7.890 1.00 0.00 ATOM 215 CD PRO 45 6.373 10.815 7.930 1.00 0.00 ATOM 216 O PRO 45 8.355 9.749 4.008 1.00 0.00 ATOM 217 C PRO 45 7.432 9.892 4.808 1.00 0.00 ATOM 218 N ALA 46 6.464 9.000 4.941 1.00 0.00 ATOM 219 CA ALA 46 6.485 7.765 4.161 1.00 0.00 ATOM 220 CB ALA 46 5.420 6.802 4.665 1.00 0.00 ATOM 221 O ALA 46 5.698 9.022 2.263 1.00 0.00 ATOM 222 C ALA 46 6.218 7.977 2.667 1.00 0.00 ATOM 223 N LYS 47 6.611 6.993 1.853 1.00 0.00 ATOM 224 CA LYS 47 6.383 7.008 0.399 1.00 0.00 ATOM 225 CB LYS 47 7.714 7.093 -0.351 1.00 0.00 ATOM 226 CG LYS 47 8.467 8.395 -0.132 1.00 0.00 ATOM 227 CD LYS 47 9.755 8.429 -0.939 1.00 0.00 ATOM 228 CE LYS 47 10.543 9.700 -0.667 1.00 0.00 ATOM 229 NZ LYS 47 11.810 9.746 -1.449 1.00 0.00 ATOM 230 O LYS 47 6.021 4.657 0.665 1.00 0.00 ATOM 231 C LYS 47 5.662 5.693 0.105 1.00 0.00 ATOM 232 N VAL 48 4.638 5.733 -0.741 1.00 0.00 ATOM 233 CA VAL 48 3.925 4.511 -1.088 1.00 0.00 ATOM 234 CB VAL 48 2.442 4.590 -0.684 1.00 0.00 ATOM 235 CG1 VAL 48 1.706 3.327 -1.108 1.00 0.00 ATOM 236 CG2 VAL 48 2.308 4.743 0.822 1.00 0.00 ATOM 237 O VAL 48 3.871 5.161 -3.394 1.00 0.00 ATOM 238 C VAL 48 3.973 4.241 -2.581 1.00 0.00 ATOM 239 N TYR 49 4.181 2.969 -2.925 1.00 0.00 ATOM 240 CA TYR 49 4.142 2.523 -4.314 1.00 0.00 ATOM 241 CB TYR 49 5.420 1.760 -4.668 1.00 0.00 ATOM 242 CG TYR 49 6.673 2.605 -4.612 1.00 0.00 ATOM 243 CD1 TYR 49 7.428 2.679 -3.449 1.00 0.00 ATOM 244 CD2 TYR 49 7.097 3.323 -5.722 1.00 0.00 ATOM 245 CE1 TYR 49 8.574 3.449 -3.388 1.00 0.00 ATOM 246 CE2 TYR 49 8.240 4.097 -5.679 1.00 0.00 ATOM 247 CZ TYR 49 8.980 4.155 -4.500 1.00 0.00 ATOM 248 OH TYR 49 10.121 4.921 -4.441 1.00 0.00 ATOM 249 O TYR 49 2.879 0.630 -3.527 1.00 0.00 ATOM 250 C TYR 49 2.882 1.647 -4.233 1.00 0.00 ATOM 251 N ALA 50 1.808 2.059 -4.903 1.00 0.00 ATOM 252 CA ALA 50 0.563 1.306 -4.845 1.00 0.00 ATOM 253 CB ALA 50 -0.589 2.216 -4.450 1.00 0.00 ATOM 254 O ALA 50 0.310 1.374 -7.217 1.00 0.00 ATOM 255 C ALA 50 0.240 0.690 -6.191 1.00 0.00 ATOM 256 N ILE 51 -0.113 -0.595 -6.190 1.00 0.00 ATOM 257 CA ILE 51 -0.381 -1.280 -7.448 1.00 0.00 ATOM 258 CB ILE 51 0.740 -2.274 -7.800 1.00 0.00 ATOM 259 CG1 ILE 51 0.875 -3.335 -6.705 1.00 0.00 ATOM 260 CG2 ILE 51 2.072 -1.551 -7.936 1.00 0.00 ATOM 261 CD1 ILE 51 1.824 -4.460 -7.057 1.00 0.00 ATOM 262 O ILE 51 -2.153 -2.449 -6.350 1.00 0.00 ATOM 263 C ILE 51 -1.671 -2.069 -7.414 1.00 0.00 ATOM 264 N LYS 52 -2.247 -2.280 -8.591 1.00 0.00 ATOM 265 CA LYS 52 -3.469 -3.054 -8.700 1.00 0.00 ATOM 266 CB LYS 52 -4.679 -2.201 -8.317 1.00 0.00 ATOM 267 CG LYS 52 -4.945 -1.038 -9.262 1.00 0.00 ATOM 268 CD LYS 52 -6.125 -0.204 -8.793 1.00 0.00 ATOM 269 CE LYS 52 -5.937 0.263 -7.359 1.00 0.00 ATOM 270 NZ LYS 52 -4.838 1.264 -7.241 1.00 0.00 ATOM 271 O LYS 52 -2.903 -2.935 -11.019 1.00 0.00 ATOM 272 C LYS 52 -3.569 -3.499 -10.149 1.00 0.00 ATOM 273 N ASP 53 -4.379 -4.519 -10.427 1.00 0.00 ATOM 274 CA ASP 53 -4.534 -4.932 -11.812 1.00 0.00 ATOM 275 CB ASP 53 -4.615 -6.457 -11.909 1.00 0.00 ATOM 276 CG ASP 53 -3.349 -7.139 -11.429 1.00 0.00 ATOM 277 OD1 ASP 53 -2.252 -6.720 -11.852 1.00 0.00 ATOM 278 OD2 ASP 53 -3.456 -8.094 -10.632 1.00 0.00 ATOM 279 O ASP 53 -6.060 -4.459 -13.599 1.00 0.00 ATOM 280 C ASP 53 -5.816 -4.333 -12.396 1.00 0.00 ATOM 281 N ASP 54 -6.650 -3.714 -11.552 1.00 0.00 ATOM 282 CA ASP 54 -7.922 -3.123 -12.010 1.00 0.00 ATOM 283 CB ASP 54 -9.013 -3.314 -10.954 1.00 0.00 ATOM 284 CG ASP 54 -10.351 -2.752 -11.390 1.00 0.00 ATOM 285 OD1 ASP 54 -10.408 -2.120 -12.467 1.00 0.00 ATOM 286 OD2 ASP 54 -11.344 -2.941 -10.655 1.00 0.00 ATOM 287 O ASP 54 -7.744 -0.803 -11.341 1.00 0.00 ATOM 288 C ASP 54 -7.768 -1.605 -12.274 1.00 0.00 ATOM 289 N PHE 55 -7.658 -1.207 -13.539 1.00 0.00 ATOM 290 CA PHE 55 -7.485 0.222 -13.819 1.00 0.00 ATOM 291 CB PHE 55 -7.423 0.468 -15.328 1.00 0.00 ATOM 292 CG PHE 55 -7.116 1.892 -15.697 1.00 0.00 ATOM 293 CD1 PHE 55 -5.837 2.400 -15.548 1.00 0.00 ATOM 294 CD2 PHE 55 -8.105 2.723 -16.193 1.00 0.00 ATOM 295 CE1 PHE 55 -5.554 3.709 -15.887 1.00 0.00 ATOM 296 CE2 PHE 55 -7.822 4.031 -16.533 1.00 0.00 ATOM 297 CZ PHE 55 -6.554 4.527 -16.382 1.00 0.00 ATOM 298 O PHE 55 -8.417 2.240 -12.914 1.00 0.00 ATOM 299 C PHE 55 -8.624 1.081 -13.269 1.00 0.00 ATOM 300 N LEU 56 -9.833 0.531 -13.190 1.00 0.00 ATOM 301 CA LEU 56 -10.943 1.337 -12.702 1.00 0.00 ATOM 302 CB LEU 56 -12.267 0.591 -12.885 1.00 0.00 ATOM 303 CG LEU 56 -12.743 0.398 -14.325 1.00 0.00 ATOM 304 CD1 LEU 56 -13.966 -0.506 -14.372 1.00 0.00 ATOM 305 CD2 LEU 56 -13.116 1.734 -14.953 1.00 0.00 ATOM 306 O LEU 56 -11.228 2.791 -10.815 1.00 0.00 ATOM 307 C LEU 56 -10.829 1.687 -11.218 1.00 0.00 ATOM 308 N ALA 57 -10.300 0.793 -10.386 1.00 0.00 ATOM 309 CA ALA 57 -10.161 1.179 -8.985 1.00 0.00 ATOM 310 CB ALA 57 -9.960 -0.051 -8.113 1.00 0.00 ATOM 311 O ALA 57 -8.928 2.956 -7.930 1.00 0.00 ATOM 312 C ALA 57 -8.955 2.103 -8.829 1.00 0.00 ATOM 313 N ARG 58 -7.958 1.949 -9.697 1.00 0.00 ATOM 314 CA ARG 58 -6.789 2.837 -9.627 1.00 0.00 ATOM 315 CB ARG 58 -5.742 2.425 -10.662 1.00 0.00 ATOM 316 CG ARG 58 -4.465 3.251 -10.616 1.00 0.00 ATOM 317 CD ARG 58 -3.420 2.707 -11.575 1.00 0.00 ATOM 318 NE ARG 58 -2.162 3.445 -11.490 1.00 0.00 ATOM 319 CZ ARG 58 -1.911 4.571 -12.151 1.00 0.00 ATOM 320 NH1 ARG 58 -0.737 5.172 -12.012 1.00 0.00 ATOM 321 NH2 ARG 58 -2.832 5.092 -12.948 1.00 0.00 ATOM 322 O ARG 58 -6.649 5.212 -9.355 1.00 0.00 ATOM 323 C ARG 58 -7.229 4.276 -9.906 1.00 0.00 ATOM 324 N GLY 59 -8.239 4.463 -10.761 1.00 0.00 ATOM 325 CA GLY 59 -8.746 5.822 -11.036 1.00 0.00 ATOM 326 O GLY 59 -9.204 7.595 -9.459 1.00 0.00 ATOM 327 C GLY 59 -9.347 6.400 -9.760 1.00 0.00 ATOM 328 N TYR 60 -6.434 9.765 -3.187 1.00 0.00 ATOM 329 CA TYR 60 -5.115 10.057 -2.632 1.00 0.00 ATOM 330 CB TYR 60 -4.121 8.956 -3.008 1.00 0.00 ATOM 331 CG TYR 60 -3.862 8.846 -4.492 1.00 0.00 ATOM 332 CD1 TYR 60 -2.893 9.630 -5.106 1.00 0.00 ATOM 333 CD2 TYR 60 -4.586 7.957 -5.277 1.00 0.00 ATOM 334 CE1 TYR 60 -2.649 9.536 -6.463 1.00 0.00 ATOM 335 CE2 TYR 60 -4.356 7.849 -6.635 1.00 0.00 ATOM 336 CZ TYR 60 -3.378 8.650 -7.225 1.00 0.00 ATOM 337 OH TYR 60 -3.137 8.554 -8.577 1.00 0.00 ATOM 338 O TYR 60 -3.352 11.661 -2.816 1.00 0.00 ATOM 339 C TYR 60 -4.501 11.376 -3.114 1.00 0.00 ATOM 340 N SER 61 -5.292 12.158 -3.840 1.00 0.00 ATOM 341 CA SER 61 -4.898 13.439 -4.441 1.00 0.00 ATOM 342 CB SER 61 -6.134 14.247 -4.842 1.00 0.00 ATOM 343 OG SER 61 -6.885 13.571 -5.834 1.00 0.00 ATOM 344 O SER 61 -3.097 14.981 -3.983 1.00 0.00 ATOM 345 C SER 61 -4.068 14.362 -3.534 1.00 0.00 ATOM 346 N GLU 62 -4.466 14.474 -2.275 1.00 0.00 ATOM 347 CA GLU 62 -3.764 15.379 -1.362 1.00 0.00 ATOM 348 CB GLU 62 -4.565 15.566 -0.072 1.00 0.00 ATOM 349 CG GLU 62 -5.866 16.330 -0.255 1.00 0.00 ATOM 350 CD GLU 62 -6.684 16.402 1.021 1.00 0.00 ATOM 351 OE1 GLU 62 -6.245 15.832 2.041 1.00 0.00 ATOM 352 OE2 GLU 62 -7.765 17.029 0.998 1.00 0.00 ATOM 353 O GLU 62 -1.600 15.605 -0.341 1.00 0.00 ATOM 354 C GLU 62 -2.380 14.870 -0.959 1.00 0.00 ATOM 355 N GLU 63 -2.075 13.620 -1.305 1.00 0.00 ATOM 356 CA GLU 63 -0.781 13.027 -0.977 1.00 0.00 ATOM 357 CB GLU 63 -0.969 11.773 -0.122 1.00 0.00 ATOM 358 CG GLU 63 -1.608 12.034 1.233 1.00 0.00 ATOM 359 CD GLU 63 -0.698 12.806 2.167 1.00 0.00 ATOM 360 OE1 GLU 63 0.484 13.004 1.817 1.00 0.00 ATOM 361 OE2 GLU 63 -1.168 13.213 3.250 1.00 0.00 ATOM 362 O GLU 63 0.899 11.844 -2.184 1.00 0.00 ATOM 363 C GLU 63 -0.039 12.639 -2.243 1.00 0.00 ATOM 364 N ASP 64 -0.448 13.196 -3.380 1.00 0.00 ATOM 365 CA ASP 64 0.142 12.810 -4.656 1.00 0.00 ATOM 366 CB ASP 64 -0.395 13.692 -5.784 1.00 0.00 ATOM 367 CG ASP 64 -1.847 13.401 -6.109 1.00 0.00 ATOM 368 OD1 ASP 64 -2.377 12.388 -5.606 1.00 0.00 ATOM 369 OD2 ASP 64 -2.455 14.186 -6.868 1.00 0.00 ATOM 370 O ASP 64 2.243 12.210 -5.603 1.00 0.00 ATOM 371 C ASP 64 1.654 12.901 -4.776 1.00 0.00 ATOM 372 N SER 65 2.291 13.744 -3.969 1.00 0.00 ATOM 373 CA SER 65 3.740 13.846 -4.037 1.00 0.00 ATOM 374 CB SER 65 4.218 15.148 -3.390 1.00 0.00 ATOM 375 OG SER 65 3.976 15.141 -1.994 1.00 0.00 ATOM 376 O SER 65 5.645 12.502 -3.488 1.00 0.00 ATOM 377 C SER 65 4.434 12.697 -3.320 1.00 0.00 ATOM 378 N LYS 66 3.675 11.926 -2.544 1.00 0.00 ATOM 379 CA LYS 66 4.277 10.816 -1.798 1.00 0.00 ATOM 380 CB LYS 66 4.041 10.991 -0.297 1.00 0.00 ATOM 381 CG LYS 66 4.608 12.281 0.275 1.00 0.00 ATOM 382 CD LYS 66 6.123 12.318 0.156 1.00 0.00 ATOM 383 CE LYS 66 6.694 13.587 0.770 1.00 0.00 ATOM 384 NZ LYS 66 8.171 13.670 0.598 1.00 0.00 ATOM 385 O LYS 66 4.153 8.441 -1.577 1.00 0.00 ATOM 386 C LYS 66 3.734 9.435 -2.155 1.00 0.00 ATOM 387 N VAL 67 2.777 9.369 -3.069 1.00 0.00 ATOM 388 CA VAL 67 2.285 8.059 -3.483 1.00 0.00 ATOM 389 CB VAL 67 0.905 7.755 -2.872 1.00 0.00 ATOM 390 CG1 VAL 67 -0.120 8.776 -3.338 1.00 0.00 ATOM 391 CG2 VAL 67 0.430 6.372 -3.290 1.00 0.00 ATOM 392 O VAL 67 1.774 9.046 -5.616 1.00 0.00 ATOM 393 C VAL 67 2.169 8.047 -4.998 1.00 0.00 ATOM 394 N PRO 68 2.557 6.921 -5.582 1.00 0.00 ATOM 395 CA PRO 68 2.503 6.718 -7.026 1.00 0.00 ATOM 396 CB PRO 68 3.972 6.623 -7.442 1.00 0.00 ATOM 397 CG PRO 68 4.671 6.110 -6.228 1.00 0.00 ATOM 398 CD PRO 68 3.952 6.702 -5.049 1.00 0.00 ATOM 399 O PRO 68 1.856 4.491 -6.482 1.00 0.00 ATOM 400 C PRO 68 1.724 5.425 -7.253 1.00 0.00 ATOM 401 N LEU 69 0.926 5.381 -8.312 1.00 0.00 ATOM 402 CA LEU 69 0.092 4.222 -8.611 1.00 0.00 ATOM 403 CB LEU 69 -1.384 4.623 -8.661 1.00 0.00 ATOM 404 CG LEU 69 -2.088 4.786 -7.312 1.00 0.00 ATOM 405 CD1 LEU 69 -1.521 5.976 -6.551 1.00 0.00 ATOM 406 CD2 LEU 69 -3.577 5.015 -7.509 1.00 0.00 ATOM 407 O LEU 69 0.787 4.341 -10.932 1.00 0.00 ATOM 408 C LEU 69 0.466 3.611 -9.961 1.00 0.00 ATOM 409 N ILE 70 0.393 2.282 -10.032 1.00 0.00 ATOM 410 CA ILE 70 0.750 1.566 -11.257 1.00 0.00 ATOM 411 CB ILE 70 2.189 1.021 -11.195 1.00 0.00 ATOM 412 CG1 ILE 70 3.191 2.174 -11.103 1.00 0.00 ATOM 413 CG2 ILE 70 2.505 0.205 -12.437 1.00 0.00 ATOM 414 CD1 ILE 70 4.604 1.731 -10.785 1.00 0.00 ATOM 415 O ILE 70 -0.652 -0.235 -10.528 1.00 0.00 ATOM 416 C ILE 70 -0.180 0.390 -11.481 1.00 0.00 ATOM 417 N THR 71 -0.438 0.092 -12.747 1.00 0.00 ATOM 418 CA THR 71 -1.278 -1.042 -13.085 1.00 0.00 ATOM 419 CB THR 71 -2.144 -0.754 -14.325 1.00 0.00 ATOM 420 CG2 THR 71 -3.157 0.339 -14.025 1.00 0.00 ATOM 421 OG1 THR 71 -1.308 -0.326 -15.406 1.00 0.00 ATOM 422 O THR 71 0.253 -2.317 -14.446 1.00 0.00 ATOM 423 C THR 71 -0.325 -2.204 -13.363 1.00 0.00 ATOM 424 N TYR 72 1.072 -7.812 -8.522 1.00 0.00 ATOM 425 CA TYR 72 2.139 -7.822 -7.529 1.00 0.00 ATOM 426 CB TYR 72 1.575 -8.122 -6.139 1.00 0.00 ATOM 427 CG TYR 72 1.104 -9.547 -5.963 1.00 0.00 ATOM 428 CD1 TYR 72 1.975 -10.533 -5.517 1.00 0.00 ATOM 429 CD2 TYR 72 -0.209 -9.902 -6.242 1.00 0.00 ATOM 430 CE1 TYR 72 1.554 -11.840 -5.354 1.00 0.00 ATOM 431 CE2 TYR 72 -0.648 -11.203 -6.085 1.00 0.00 ATOM 432 CZ TYR 72 0.247 -12.174 -5.637 1.00 0.00 ATOM 433 OH TYR 72 -0.175 -13.474 -5.474 1.00 0.00 ATOM 434 O TYR 72 4.312 -8.847 -7.339 1.00 0.00 ATOM 435 C TYR 72 3.196 -8.889 -7.851 1.00 0.00 ATOM 436 N SER 73 2.865 -9.830 -8.730 1.00 0.00 ATOM 437 CA SER 73 3.857 -10.840 -9.118 1.00 0.00 ATOM 438 CB SER 73 3.243 -11.854 -10.085 1.00 0.00 ATOM 439 OG SER 73 2.905 -11.242 -11.317 1.00 0.00 ATOM 440 O SER 73 6.163 -10.745 -9.817 1.00 0.00 ATOM 441 C SER 73 5.055 -10.193 -9.805 1.00 0.00 ATOM 442 N GLU 74 4.827 -9.021 -10.392 1.00 0.00 ATOM 443 CA GLU 74 5.892 -8.283 -11.055 1.00 0.00 ATOM 444 CB GLU 74 5.441 -7.821 -12.443 1.00 0.00 ATOM 445 CG GLU 74 5.089 -8.955 -13.391 1.00 0.00 ATOM 446 CD GLU 74 4.667 -8.461 -14.759 1.00 0.00 ATOM 447 OE1 GLU 74 4.699 -7.233 -14.984 1.00 0.00 ATOM 448 OE2 GLU 74 4.305 -9.302 -15.609 1.00 0.00 ATOM 449 O GLU 74 6.952 -6.138 -10.813 1.00 0.00 ATOM 450 C GLU 74 6.310 -7.035 -10.267 1.00 0.00 ATOM 451 N PHE 75 5.956 -6.974 -8.991 1.00 0.00 ATOM 452 CA PHE 75 6.326 -5.808 -8.183 1.00 0.00 ATOM 453 CB PHE 75 5.789 -5.952 -6.757 1.00 0.00 ATOM 454 CG PHE 75 6.534 -6.957 -5.927 1.00 0.00 ATOM 455 CD1 PHE 75 7.625 -6.575 -5.164 1.00 0.00 ATOM 456 CD2 PHE 75 6.147 -8.286 -5.910 1.00 0.00 ATOM 457 CE1 PHE 75 8.310 -7.501 -4.401 1.00 0.00 ATOM 458 CE2 PHE 75 6.832 -9.211 -5.146 1.00 0.00 ATOM 459 CZ PHE 75 7.911 -8.824 -4.393 1.00 0.00 ATOM 460 O PHE 75 8.332 -4.505 -8.016 1.00 0.00 ATOM 461 C PHE 75 7.838 -5.631 -8.089 1.00 0.00 ATOM 462 N ILE 76 8.577 -6.742 -8.077 1.00 0.00 ATOM 463 CA ILE 76 10.021 -6.648 -7.978 1.00 0.00 ATOM 464 CB ILE 76 10.682 -8.038 -8.044 1.00 0.00 ATOM 465 CG1 ILE 76 10.332 -8.854 -6.798 1.00 0.00 ATOM 466 CG2 ILE 76 12.195 -7.905 -8.124 1.00 0.00 ATOM 467 CD1 ILE 76 10.711 -10.316 -6.900 1.00 0.00 ATOM 468 O ILE 76 11.414 -4.912 -8.828 1.00 0.00 ATOM 469 C ILE 76 10.633 -5.814 -9.103 1.00 0.00 ATOM 470 N ASP 77 10.294 -6.091 -10.362 1.00 0.00 ATOM 471 CA ASP 77 10.836 -5.276 -11.451 1.00 0.00 ATOM 472 CB ASP 77 10.594 -5.954 -12.800 1.00 0.00 ATOM 473 CG ASP 77 11.490 -7.158 -13.017 1.00 0.00 ATOM 474 OD1 ASP 77 12.457 -7.325 -12.245 1.00 0.00 ATOM 475 OD2 ASP 77 11.224 -7.934 -13.959 1.00 0.00 ATOM 476 O ASP 77 10.861 -2.948 -11.990 1.00 0.00 ATOM 477 C ASP 77 10.215 -3.894 -11.529 1.00 0.00 ATOM 478 N LEU 78 8.963 -3.753 -11.099 1.00 0.00 ATOM 479 CA LEU 78 8.381 -2.419 -11.115 1.00 0.00 ATOM 480 CB LEU 78 6.949 -2.453 -10.577 1.00 0.00 ATOM 481 CG LEU 78 5.907 -3.136 -11.466 1.00 0.00 ATOM 482 CD1 LEU 78 4.580 -3.268 -10.737 1.00 0.00 ATOM 483 CD2 LEU 78 5.674 -2.331 -12.736 1.00 0.00 ATOM 484 O LEU 78 9.700 -0.462 -10.585 1.00 0.00 ATOM 485 C LEU 78 9.280 -1.551 -10.213 1.00 0.00 ATOM 486 N LEU 79 9.570 -2.047 -9.019 1.00 0.00 ATOM 487 CA LEU 79 10.398 -1.283 -8.092 1.00 0.00 ATOM 488 CB LEU 79 10.652 -2.086 -6.814 1.00 0.00 ATOM 489 CG LEU 79 9.445 -2.301 -5.898 1.00 0.00 ATOM 490 CD1 LEU 79 9.794 -3.260 -4.769 1.00 0.00 ATOM 491 CD2 LEU 79 8.996 -0.985 -5.282 1.00 0.00 ATOM 492 O LEU 79 12.228 0.188 -8.608 1.00 0.00 ATOM 493 C LEU 79 11.752 -0.942 -8.721 1.00 0.00 ATOM 494 N GLU 80 12.366 -1.913 -9.389 1.00 0.00 ATOM 495 CA GLU 80 13.651 -1.652 -10.038 1.00 0.00 ATOM 496 CB GLU 80 14.150 -2.906 -10.760 1.00 0.00 ATOM 497 CG GLU 80 14.602 -4.020 -9.831 1.00 0.00 ATOM 498 CD GLU 80 14.972 -5.287 -10.577 1.00 0.00 ATOM 499 OE1 GLU 80 14.804 -5.317 -11.815 1.00 0.00 ATOM 500 OE2 GLU 80 15.427 -6.249 -9.924 1.00 0.00 ATOM 501 O GLU 80 14.455 0.308 -11.142 1.00 0.00 ATOM 502 C GLU 80 13.555 -0.531 -11.068 1.00 0.00 ATOM 503 N GLY 81 12.470 -0.490 -11.848 1.00 0.00 ATOM 504 CA GLY 81 12.336 0.568 -12.857 1.00 0.00 ATOM 505 O GLY 81 12.412 2.962 -12.816 1.00 0.00 ATOM 506 C GLY 81 12.203 1.932 -12.180 1.00 0.00 ATOM 507 N GLU 82 11.853 1.930 -10.896 1.00 0.00 ATOM 508 CA GLU 82 11.717 3.171 -10.137 1.00 0.00 ATOM 509 CB GLU 82 10.570 3.060 -9.131 1.00 0.00 ATOM 510 CG GLU 82 9.220 2.751 -9.760 1.00 0.00 ATOM 511 CD GLU 82 8.788 3.807 -10.759 1.00 0.00 ATOM 512 OE1 GLU 82 8.813 5.005 -10.406 1.00 0.00 ATOM 513 OE2 GLU 82 8.426 3.436 -11.895 1.00 0.00 ATOM 514 O GLU 82 13.070 4.516 -8.678 1.00 0.00 ATOM 515 C GLU 82 12.995 3.493 -9.359 1.00 0.00 ATOM 516 N GLU 83 13.981 2.607 -9.446 1.00 0.00 ATOM 517 CA GLU 83 15.249 2.823 -8.758 1.00 0.00 ATOM 518 CB GLU 83 15.589 4.315 -8.719 1.00 0.00 ATOM 519 CG GLU 83 15.880 4.920 -10.083 1.00 0.00 ATOM 520 CD GLU 83 16.117 6.416 -10.018 1.00 0.00 ATOM 521 OE1 GLU 83 16.019 6.985 -8.910 1.00 0.00 ATOM 522 OE2 GLU 83 16.401 7.019 -11.074 1.00 0.00 ATOM 523 O GLU 83 16.081 2.675 -6.502 1.00 0.00 ATOM 524 C GLU 83 15.223 2.327 -7.323 1.00 0.00 TER END