PFRMAT TS TARGET T0234 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 is a model from an alignment to our top template (1dnlA), with METHOD the sidechains repacked by SCWRL. METHOD METHOD The alignment was made with a 3-track HMM: METHOD T0234-1dnlA-t04-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 REMARK 6 REMARK 6 T0234 model 5 Mon Jul 19 21:17:05 2004 MODEL 5 PARENT 1dnl_A ATOM 2 N LEU 4 9.270 -3.208 16.230 1.00 0.00 ATOM 3 CA LEU 4 10.414 -2.324 16.462 1.00 0.00 ATOM 4 CB LEU 4 10.680 -2.175 17.961 1.00 0.00 ATOM 5 CG LEU 4 9.637 -1.388 18.759 1.00 0.00 ATOM 6 CD1 LEU 4 9.927 -1.471 20.251 1.00 0.00 ATOM 7 CD2 LEU 4 9.643 0.077 18.354 1.00 0.00 ATOM 8 O LEU 4 12.443 -2.179 15.189 1.00 0.00 ATOM 9 C LEU 4 11.661 -2.899 15.802 1.00 0.00 ATOM 10 N GLU 5 11.842 -4.207 15.936 1.00 0.00 ATOM 11 CA GLU 5 12.995 -4.886 15.360 1.00 0.00 ATOM 12 CB GLU 5 12.995 -6.366 15.748 1.00 0.00 ATOM 13 CG GLU 5 14.190 -7.145 15.225 1.00 0.00 ATOM 14 CD GLU 5 14.172 -8.599 15.658 1.00 0.00 ATOM 15 OE1 GLU 5 13.230 -8.993 16.377 1.00 0.00 ATOM 16 OE2 GLU 5 15.101 -9.343 15.278 1.00 0.00 ATOM 17 O GLU 5 14.006 -4.501 13.212 1.00 0.00 ATOM 18 C GLU 5 12.986 -4.796 13.836 1.00 0.00 ATOM 19 N LYS 6 11.832 -5.076 13.238 1.00 0.00 ATOM 20 CA LYS 6 11.688 -5.017 11.790 1.00 0.00 ATOM 21 CB LYS 6 10.303 -5.512 11.369 1.00 0.00 ATOM 22 CG LYS 6 10.094 -7.006 11.553 1.00 0.00 ATOM 23 CD LYS 6 8.702 -7.428 11.112 1.00 0.00 ATOM 24 CE LYS 6 8.481 -8.916 11.329 1.00 0.00 ATOM 25 NZ LYS 6 7.112 -9.340 10.923 1.00 0.00 ATOM 26 O LYS 6 12.480 -3.383 10.219 1.00 0.00 ATOM 27 C LYS 6 11.855 -3.593 11.255 1.00 0.00 ATOM 28 N ALA 7 11.285 -2.621 11.956 1.00 0.00 ATOM 29 CA ALA 7 11.397 -1.223 11.534 1.00 0.00 ATOM 30 CB ALA 7 10.598 -0.323 12.462 1.00 0.00 ATOM 31 O ALA 7 13.391 -0.155 10.669 1.00 0.00 ATOM 32 C ALA 7 12.874 -0.819 11.575 1.00 0.00 ATOM 33 N GLN 8 13.551 -1.240 12.634 1.00 0.00 ATOM 34 CA GLN 8 14.964 -0.930 12.791 1.00 0.00 ATOM 35 CB GLN 8 15.496 -1.507 14.106 1.00 0.00 ATOM 36 CG GLN 8 14.980 -0.800 15.348 1.00 0.00 ATOM 37 CD GLN 8 15.435 -1.466 16.630 1.00 0.00 ATOM 38 OE1 GLN 8 16.071 -2.521 16.601 1.00 0.00 ATOM 39 NE2 GLN 8 15.111 -0.853 17.763 1.00 0.00 ATOM 40 O GLN 8 16.665 -0.886 11.097 1.00 0.00 ATOM 41 C GLN 8 15.766 -1.528 11.639 1.00 0.00 ATOM 42 N ALA 9 15.434 -2.755 11.249 1.00 0.00 ATOM 43 CA ALA 9 16.161 -3.403 10.163 1.00 0.00 ATOM 44 CB ALA 9 15.769 -4.870 10.063 1.00 0.00 ATOM 45 O ALA 9 16.733 -2.749 7.925 1.00 0.00 ATOM 46 C ALA 9 15.876 -2.755 8.810 1.00 0.00 ATOM 47 N GLU 10 14.679 -2.196 8.650 1.00 0.00 ATOM 48 CA GLU 10 14.314 -1.523 7.408 1.00 0.00 ATOM 49 CB GLU 10 12.823 -1.176 7.404 1.00 0.00 ATOM 50 CG GLU 10 11.907 -2.382 7.280 1.00 0.00 ATOM 51 CD GLU 10 12.164 -3.182 6.018 1.00 0.00 ATOM 52 OE1 GLU 10 12.172 -2.581 4.925 1.00 0.00 ATOM 53 OE2 GLU 10 12.359 -4.411 6.124 1.00 0.00 ATOM 54 O GLU 10 15.569 0.133 6.172 1.00 0.00 ATOM 55 C GLU 10 15.128 -0.227 7.269 1.00 0.00 ATOM 56 N TYR 11 15.309 0.476 8.381 1.00 0.00 ATOM 57 CA TYR 11 16.077 1.718 8.372 1.00 0.00 ATOM 58 CB TYR 11 16.005 2.403 9.738 1.00 0.00 ATOM 59 CG TYR 11 16.776 3.701 9.814 1.00 0.00 ATOM 60 CD1 TYR 11 16.263 4.866 9.259 1.00 0.00 ATOM 61 CD2 TYR 11 18.015 3.756 10.441 1.00 0.00 ATOM 62 CE1 TYR 11 16.963 6.058 9.324 1.00 0.00 ATOM 63 CE2 TYR 11 18.727 4.938 10.516 1.00 0.00 ATOM 64 CZ TYR 11 18.189 6.093 9.950 1.00 0.00 ATOM 65 OH TYR 11 18.886 7.277 10.015 1.00 0.00 ATOM 66 O TYR 11 18.184 2.096 7.271 1.00 0.00 ATOM 67 C TYR 11 17.530 1.396 8.047 1.00 0.00 ATOM 68 N ALA 12 18.023 0.319 8.646 1.00 0.00 ATOM 69 CA ALA 12 19.394 -0.118 8.452 1.00 0.00 ATOM 70 CB ALA 12 19.700 -1.314 9.342 1.00 0.00 ATOM 71 O ALA 12 20.772 -0.352 6.501 1.00 0.00 ATOM 72 C ALA 12 19.663 -0.536 7.006 1.00 0.00 ATOM 73 N GLY 13 18.651 -1.093 6.346 1.00 0.00 ATOM 74 CA GLY 13 18.791 -1.529 4.958 1.00 0.00 ATOM 75 O GLY 13 18.644 -0.513 2.784 1.00 0.00 ATOM 76 C GLY 13 18.577 -0.359 4.002 1.00 0.00 ATOM 77 N PHE 14 18.310 0.810 4.573 1.00 0.00 ATOM 78 CA PHE 14 18.086 2.029 3.810 1.00 0.00 ATOM 79 CB PHE 14 19.322 2.372 2.974 1.00 0.00 ATOM 80 CG PHE 14 20.568 2.569 3.789 1.00 0.00 ATOM 81 CD1 PHE 14 21.522 1.571 3.874 1.00 0.00 ATOM 82 CD2 PHE 14 20.788 3.754 4.468 1.00 0.00 ATOM 83 CE1 PHE 14 22.669 1.753 4.623 1.00 0.00 ATOM 84 CE2 PHE 14 21.935 3.937 5.217 1.00 0.00 ATOM 85 CZ PHE 14 22.874 2.942 5.296 1.00 0.00 ATOM 86 O PHE 14 17.053 2.467 1.693 1.00 0.00 ATOM 87 C PHE 14 16.923 1.995 2.825 1.00 0.00 ATOM 88 N ILE 15 15.789 1.443 3.243 1.00 0.00 ATOM 89 CA ILE 15 14.619 1.427 2.373 1.00 0.00 ATOM 90 CB ILE 15 13.522 0.495 2.921 1.00 0.00 ATOM 91 CG1 ILE 15 12.482 0.202 1.839 1.00 0.00 ATOM 92 CG2 ILE 15 12.817 1.142 4.105 1.00 0.00 ATOM 93 CD1 ILE 15 11.531 -0.920 2.192 1.00 0.00 ATOM 94 O ILE 15 14.330 3.594 3.297 1.00 0.00 ATOM 95 C ILE 15 14.137 2.856 2.335 1.00 0.00 ATOM 96 N GLN 16 13.511 3.255 1.237 1.00 0.00 ATOM 97 CA GLN 16 12.991 4.609 1.160 1.00 0.00 ATOM 98 CB GLN 16 12.559 4.936 -0.272 1.00 0.00 ATOM 99 CG GLN 16 12.026 6.349 -0.452 1.00 0.00 ATOM 100 CD GLN 16 11.731 6.679 -1.901 1.00 0.00 ATOM 101 OE1 GLN 16 11.984 5.873 -2.796 1.00 0.00 ATOM 102 NE2 GLN 16 11.191 7.869 -2.137 1.00 0.00 ATOM 103 O GLN 16 10.994 3.735 2.163 1.00 0.00 ATOM 104 C GLN 16 11.794 4.671 2.106 1.00 0.00 ATOM 105 N GLU 17 11.697 5.760 2.863 1.00 0.00 ATOM 106 CA GLU 17 10.601 5.976 3.806 1.00 0.00 ATOM 107 CB GLU 17 9.347 6.450 3.069 1.00 0.00 ATOM 108 CG GLU 17 9.521 7.766 2.329 1.00 0.00 ATOM 109 CD GLU 17 9.622 8.953 3.267 1.00 0.00 ATOM 110 OE1 GLU 17 9.375 8.775 4.479 1.00 0.00 ATOM 111 OE2 GLU 17 9.949 10.060 2.791 1.00 0.00 ATOM 112 O GLU 17 9.125 4.169 4.376 1.00 0.00 ATOM 113 C GLU 17 10.205 4.714 4.592 1.00 0.00 ATOM 114 N PHE 18 11.067 4.234 5.504 1.00 0.00 ATOM 115 CA PHE 18 10.725 3.036 6.280 1.00 0.00 ATOM 116 CB PHE 18 11.858 2.678 7.245 1.00 0.00 ATOM 117 CG PHE 18 12.011 3.645 8.385 1.00 0.00 ATOM 118 CD1 PHE 18 11.291 3.477 9.554 1.00 0.00 ATOM 119 CD2 PHE 18 12.873 4.722 8.286 1.00 0.00 ATOM 120 CE1 PHE 18 11.432 4.366 10.603 1.00 0.00 ATOM 121 CE2 PHE 18 13.015 5.612 9.336 1.00 0.00 ATOM 122 CZ PHE 18 12.297 5.436 10.490 1.00 0.00 ATOM 123 O PHE 18 8.801 2.238 7.483 1.00 0.00 ATOM 124 C PHE 18 9.455 3.214 7.120 1.00 0.00 ATOM 125 N GLN 19 9.117 4.460 7.436 1.00 0.00 ATOM 126 CA GLN 19 7.931 4.731 8.236 1.00 0.00 ATOM 127 CB GLN 19 8.123 6.001 9.066 1.00 0.00 ATOM 128 CG GLN 19 8.204 7.276 8.241 1.00 0.00 ATOM 129 CD GLN 19 9.620 7.605 7.816 1.00 0.00 ATOM 130 OE1 GLN 19 10.386 6.719 7.433 1.00 0.00 ATOM 131 NE2 GLN 19 9.974 8.883 7.880 1.00 0.00 ATOM 132 O GLN 19 5.596 5.184 7.862 1.00 0.00 ATOM 133 C GLN 19 6.692 4.927 7.357 1.00 0.00 ATOM 134 N SER 20 6.867 4.802 6.043 1.00 0.00 ATOM 135 CA SER 20 5.741 4.958 5.133 1.00 0.00 ATOM 136 CB SER 20 6.229 5.023 3.685 1.00 0.00 ATOM 137 OG SER 20 5.139 5.112 2.782 1.00 0.00 ATOM 138 O SER 20 5.249 2.602 5.324 1.00 0.00 ATOM 139 C SER 20 4.808 3.756 5.299 1.00 0.00 ATOM 140 N ALA 21 3.518 4.039 5.455 1.00 0.00 ATOM 141 CA ALA 21 2.526 2.981 5.606 1.00 0.00 ATOM 142 CB ALA 21 2.161 2.802 7.073 1.00 0.00 ATOM 143 O ALA 21 0.950 4.537 4.698 1.00 0.00 ATOM 144 C ALA 21 1.278 3.360 4.820 1.00 0.00 ATOM 145 N ILE 22 0.598 2.361 4.267 1.00 0.00 ATOM 146 CA ILE 22 -0.627 2.610 3.508 1.00 0.00 ATOM 147 CB ILE 22 -0.827 1.559 2.400 1.00 0.00 ATOM 148 CG1 ILE 22 0.335 1.607 1.405 1.00 0.00 ATOM 149 CG2 ILE 22 -2.121 1.822 1.645 1.00 0.00 ATOM 150 CD1 ILE 22 0.335 0.463 0.413 1.00 0.00 ATOM 151 O ILE 22 -2.044 1.522 5.100 1.00 0.00 ATOM 152 C ILE 22 -1.817 2.552 4.459 1.00 0.00 ATOM 153 N ILE 23 -2.579 3.640 4.558 1.00 0.00 ATOM 154 CA ILE 23 -3.736 3.628 5.439 1.00 0.00 ATOM 155 CB ILE 23 -3.837 4.930 6.254 1.00 0.00 ATOM 156 CG1 ILE 23 -2.550 5.161 7.053 1.00 0.00 ATOM 157 CG2 ILE 23 -5.002 4.859 7.230 1.00 0.00 ATOM 158 CD1 ILE 23 -2.232 4.053 8.031 1.00 0.00 ATOM 159 O ILE 23 -5.242 4.200 3.638 1.00 0.00 ATOM 160 C ILE 23 -5.004 3.480 4.625 1.00 0.00 ATOM 161 N SER 24 -5.807 2.502 5.009 1.00 0.00 ATOM 162 CA SER 24 -7.052 2.255 4.320 1.00 0.00 ATOM 163 CB SER 24 -7.198 0.767 3.993 1.00 0.00 ATOM 164 OG SER 24 -8.461 0.494 3.410 1.00 0.00 ATOM 165 O SER 24 -8.210 2.361 6.408 1.00 0.00 ATOM 166 C SER 24 -8.196 2.686 5.214 1.00 0.00 ATOM 167 N THR 25 -9.130 3.439 4.628 1.00 0.00 ATOM 168 CA THR 25 -10.334 3.904 5.321 1.00 0.00 ATOM 169 CB THR 25 -10.319 5.431 5.518 1.00 0.00 ATOM 170 CG2 THR 25 -9.057 5.861 6.253 1.00 0.00 ATOM 171 OG1 THR 25 -10.354 6.081 4.241 1.00 0.00 ATOM 172 O THR 25 -11.307 3.055 3.294 1.00 0.00 ATOM 173 C THR 25 -11.513 3.494 4.434 1.00 0.00 ATOM 174 N ILE 26 -12.732 3.634 4.940 1.00 0.00 ATOM 175 CA ILE 26 -13.918 3.235 4.181 1.00 0.00 ATOM 176 CB ILE 26 -14.584 1.985 4.787 1.00 0.00 ATOM 177 CG1 ILE 26 -13.612 0.803 4.772 1.00 0.00 ATOM 178 CG2 ILE 26 -15.822 1.603 3.992 1.00 0.00 ATOM 179 CD1 ILE 26 -14.109 -0.405 5.536 1.00 0.00 ATOM 180 O ILE 26 -15.209 4.953 5.223 1.00 0.00 ATOM 181 C ILE 26 -14.945 4.362 4.178 1.00 0.00 ATOM 182 N SER 27 -15.527 4.660 3.014 1.00 0.00 ATOM 183 CA SER 27 -16.518 5.733 2.952 1.00 0.00 ATOM 184 CB SER 27 -16.602 6.303 1.535 1.00 0.00 ATOM 185 OG SER 27 -17.154 5.356 0.636 1.00 0.00 ATOM 186 O SER 27 -18.113 4.110 3.722 1.00 0.00 ATOM 187 C SER 27 -17.920 5.264 3.337 1.00 0.00 ATOM 188 N GLU 28 -18.892 6.167 3.249 1.00 0.00 ATOM 189 CA GLU 28 -20.274 5.862 3.635 1.00 0.00 ATOM 190 CB GLU 28 -21.149 7.113 3.528 1.00 0.00 ATOM 191 CG GLU 28 -20.863 8.163 4.589 1.00 0.00 ATOM 192 CD GLU 28 -21.685 9.423 4.398 1.00 0.00 ATOM 193 OE1 GLU 28 -22.412 9.510 3.387 1.00 0.00 ATOM 194 OE2 GLU 28 -21.600 10.324 5.259 1.00 0.00 ATOM 195 O GLU 28 -21.964 4.233 3.174 1.00 0.00 ATOM 196 C GLU 28 -20.944 4.792 2.778 1.00 0.00 ATOM 197 N GLN 29 -20.371 4.497 1.614 1.00 0.00 ATOM 198 CA GLN 29 -20.942 3.501 0.713 1.00 0.00 ATOM 199 CB GLN 29 -20.814 3.957 -0.742 1.00 0.00 ATOM 200 CG GLN 29 -21.518 5.269 -1.045 1.00 0.00 ATOM 201 CD GLN 29 -23.012 5.201 -0.789 1.00 0.00 ATOM 202 OE1 GLN 29 -23.687 4.274 -1.236 1.00 0.00 ATOM 203 NE2 GLN 29 -23.532 6.186 -0.066 1.00 0.00 ATOM 204 O GLN 29 -20.589 1.221 0.029 1.00 0.00 ATOM 205 C GLN 29 -20.270 2.124 0.802 1.00 0.00 ATOM 206 N GLY 30 -19.334 1.971 1.730 1.00 0.00 ATOM 207 CA GLY 30 -18.647 0.700 1.877 1.00 0.00 ATOM 208 O GLY 30 -16.881 -0.503 0.760 1.00 0.00 ATOM 209 C GLY 30 -17.449 0.583 0.938 1.00 0.00 ATOM 210 N ILE 31 -17.070 1.704 0.326 1.00 0.00 ATOM 211 CA ILE 31 -15.924 1.724 -0.582 1.00 0.00 ATOM 212 CB ILE 31 -16.093 2.792 -1.679 1.00 0.00 ATOM 213 CG1 ILE 31 -17.331 2.494 -2.527 1.00 0.00 ATOM 214 CG2 ILE 31 -14.876 2.814 -2.593 1.00 0.00 ATOM 215 CD1 ILE 31 -17.699 3.610 -3.482 1.00 0.00 ATOM 216 O ILE 31 -14.474 3.081 0.747 1.00 0.00 ATOM 217 C ILE 31 -14.611 2.032 0.129 1.00 0.00 ATOM 218 N PRO 32 -13.623 1.121 0.048 1.00 0.00 ATOM 219 CA PRO 32 -12.361 1.443 0.722 1.00 0.00 ATOM 220 CB PRO 32 -11.678 0.085 0.896 1.00 0.00 ATOM 221 CG PRO 32 -12.166 -0.729 -0.254 1.00 0.00 ATOM 222 CD PRO 32 -13.592 -0.316 -0.482 1.00 0.00 ATOM 223 O PRO 32 -11.626 2.381 -1.369 1.00 0.00 ATOM 224 C PRO 32 -11.526 2.389 -0.133 1.00 0.00 ATOM 225 N ASN 33 -10.713 3.209 0.534 1.00 0.00 ATOM 226 CA ASN 33 -9.803 4.153 -0.116 1.00 0.00 ATOM 227 CB ASN 33 -10.312 5.587 0.049 1.00 0.00 ATOM 228 CG ASN 33 -11.654 5.808 -0.621 1.00 0.00 ATOM 229 ND2 ASN 33 -12.700 5.944 0.185 1.00 0.00 ATOM 230 OD1 ASN 33 -11.746 5.859 -1.847 1.00 0.00 ATOM 231 O ASN 33 -8.387 3.661 1.743 1.00 0.00 ATOM 232 C ASN 33 -8.450 3.991 0.558 1.00 0.00 ATOM 233 N GLY 34 -7.377 4.265 -0.183 1.00 0.00 ATOM 234 CA GLY 34 -6.027 4.120 0.350 1.00 0.00 ATOM 235 O GLY 34 -5.286 5.885 -1.103 1.00 0.00 ATOM 236 C GLY 34 -5.101 5.258 -0.050 1.00 0.00 ATOM 237 N SER 35 -4.099 5.502 0.790 1.00 0.00 ATOM 238 CA SER 35 -3.075 6.509 0.507 1.00 0.00 ATOM 239 CB SER 35 -3.651 7.918 0.662 1.00 0.00 ATOM 240 OG SER 35 -2.645 8.901 0.490 1.00 0.00 ATOM 241 O SER 35 -2.184 5.747 2.596 1.00 0.00 ATOM 242 C SER 35 -1.954 6.278 1.510 1.00 0.00 ATOM 243 N TYR 36 -0.740 6.666 1.142 1.00 0.00 ATOM 244 CA TYR 36 0.379 6.517 2.061 1.00 0.00 ATOM 245 CB TYR 36 1.695 6.394 1.290 1.00 0.00 ATOM 246 CG TYR 36 1.842 5.093 0.533 1.00 0.00 ATOM 247 CD1 TYR 36 1.500 5.009 -0.810 1.00 0.00 ATOM 248 CD2 TYR 36 2.322 3.954 1.165 1.00 0.00 ATOM 249 CE1 TYR 36 1.631 3.825 -1.510 1.00 0.00 ATOM 250 CE2 TYR 36 2.460 2.760 0.484 1.00 0.00 ATOM 251 CZ TYR 36 2.109 2.704 -0.865 1.00 0.00 ATOM 252 OH TYR 36 2.241 1.523 -1.558 1.00 0.00 ATOM 253 O TYR 36 0.255 8.865 2.619 1.00 0.00 ATOM 254 C TYR 36 0.508 7.710 3.006 1.00 0.00 ATOM 255 N ALA 37 0.881 7.423 4.251 1.00 0.00 ATOM 256 CA ALA 37 1.172 8.456 5.240 1.00 0.00 ATOM 257 CB ALA 37 -0.015 8.650 6.171 1.00 0.00 ATOM 258 O ALA 37 2.788 6.803 5.912 1.00 0.00 ATOM 259 C ALA 37 2.397 7.968 6.018 1.00 0.00 ATOM 260 N PRO 38 3.008 8.853 6.790 1.00 0.00 ATOM 261 CA PRO 38 4.173 8.458 7.563 1.00 0.00 ATOM 262 CB PRO 38 5.136 9.639 7.411 1.00 0.00 ATOM 263 CG PRO 38 4.248 10.826 7.252 1.00 0.00 ATOM 264 CD PRO 38 2.981 10.319 6.624 1.00 0.00 ATOM 265 O PRO 38 3.133 9.015 9.652 1.00 0.00 ATOM 266 C PRO 38 3.837 8.216 9.026 1.00 0.00 ATOM 267 N PHE 39 4.350 7.108 9.556 1.00 0.00 ATOM 268 CA PHE 39 4.180 6.767 10.960 1.00 0.00 ATOM 269 CB PHE 39 4.583 5.313 11.211 1.00 0.00 ATOM 270 CG PHE 39 3.587 4.312 10.696 1.00 0.00 ATOM 271 CD1 PHE 39 2.358 4.723 10.213 1.00 0.00 ATOM 272 CD2 PHE 39 3.882 2.960 10.696 1.00 0.00 ATOM 273 CE1 PHE 39 1.442 3.801 9.739 1.00 0.00 ATOM 274 CE2 PHE 39 2.967 2.039 10.223 1.00 0.00 ATOM 275 CZ PHE 39 1.752 2.454 9.746 1.00 0.00 ATOM 276 O PHE 39 6.300 7.813 11.399 1.00 0.00 ATOM 277 C PHE 39 5.103 7.742 11.702 1.00 0.00 ATOM 278 N VAL 40 4.561 8.482 12.664 1.00 0.00 ATOM 279 CA VAL 40 5.371 9.453 13.396 1.00 0.00 ATOM 280 CB VAL 40 4.649 10.807 13.526 1.00 0.00 ATOM 281 CG1 VAL 40 4.340 11.381 12.152 1.00 0.00 ATOM 282 CG2 VAL 40 3.339 10.641 14.282 1.00 0.00 ATOM 283 O VAL 40 6.769 9.468 15.347 1.00 0.00 ATOM 284 C VAL 40 5.734 9.047 14.820 1.00 0.00 ATOM 285 N ILE 41 4.887 8.228 15.431 1.00 0.00 ATOM 286 CA ILE 41 5.100 7.749 16.792 1.00 0.00 ATOM 287 CB ILE 41 4.757 8.833 17.831 1.00 0.00 ATOM 288 CG1 ILE 41 5.213 8.398 19.225 1.00 0.00 ATOM 289 CG2 ILE 41 3.257 9.079 17.870 1.00 0.00 ATOM 290 CD1 ILE 41 5.230 9.520 20.240 1.00 0.00 ATOM 291 O ILE 41 3.155 6.392 16.438 1.00 0.00 ATOM 292 C ILE 41 4.215 6.541 17.049 1.00 0.00 ATOM 293 N ASP 42 4.653 5.671 17.951 1.00 0.00 ATOM 294 CA ASP 42 3.866 4.503 18.286 1.00 0.00 ATOM 295 CB ASP 42 4.086 3.394 17.255 1.00 0.00 ATOM 296 CG ASP 42 5.495 2.835 17.290 1.00 0.00 ATOM 297 OD1 ASP 42 5.829 2.129 18.264 1.00 0.00 ATOM 298 OD2 ASP 42 6.265 3.107 16.345 1.00 0.00 ATOM 299 O ASP 42 5.371 4.093 20.114 1.00 0.00 ATOM 300 C ASP 42 4.238 3.946 19.655 1.00 0.00 ATOM 301 N ASP 43 3.253 3.338 20.302 1.00 0.00 ATOM 302 CA ASP 43 3.418 2.684 21.597 1.00 0.00 ATOM 303 CB ASP 43 3.507 3.724 22.716 1.00 0.00 ATOM 304 CG ASP 43 2.227 4.521 22.875 1.00 0.00 ATOM 305 OD1 ASP 43 1.193 4.103 22.311 1.00 0.00 ATOM 306 OD2 ASP 43 2.257 5.564 23.561 1.00 0.00 ATOM 307 O ASP 43 1.380 1.656 20.859 1.00 0.00 ATOM 308 C ASP 43 2.191 1.798 21.787 1.00 0.00 ATOM 309 N ALA 44 2.036 1.202 22.965 1.00 0.00 ATOM 310 CA ALA 44 0.913 0.298 23.191 1.00 0.00 ATOM 311 CB ALA 44 0.886 -0.160 24.642 1.00 0.00 ATOM 312 O ALA 44 -1.429 0.109 22.674 1.00 0.00 ATOM 313 C ALA 44 -0.478 0.869 22.918 1.00 0.00 ATOM 314 N LYS 45 -0.606 2.194 22.949 1.00 0.00 ATOM 315 CA LYS 45 -1.894 2.836 22.701 1.00 0.00 ATOM 316 CB LYS 45 -1.910 4.251 23.281 1.00 0.00 ATOM 317 CG LYS 45 -1.847 4.300 24.799 1.00 0.00 ATOM 318 CD LYS 45 -1.853 5.732 25.307 1.00 0.00 ATOM 319 CE LYS 45 -1.818 5.781 26.827 1.00 0.00 ATOM 320 NZ LYS 45 -1.845 7.178 27.337 1.00 0.00 ATOM 321 O LYS 45 -3.344 3.215 20.824 1.00 0.00 ATOM 322 C LYS 45 -2.204 2.946 21.207 1.00 0.00 ATOM 323 N ASN 46 -1.191 2.759 20.365 1.00 0.00 ATOM 324 CA ASN 46 -1.426 2.822 18.929 1.00 0.00 ATOM 325 CB ASN 46 -2.734 3.562 18.633 1.00 0.00 ATOM 326 CG ASN 46 -2.727 4.987 19.153 1.00 0.00 ATOM 327 ND2 ASN 46 -3.700 5.312 19.996 1.00 0.00 ATOM 328 OD1 ASN 46 -1.857 5.783 18.799 1.00 0.00 ATOM 329 O ASN 46 0.613 4.040 18.600 1.00 0.00 ATOM 330 C ASN 46 -0.383 3.524 18.084 1.00 0.00 ATOM 331 N ILE 47 -0.623 3.540 16.771 1.00 0.00 ATOM 332 CA ILE 47 0.277 4.176 15.809 1.00 0.00 ATOM 333 CB ILE 47 0.469 3.303 14.555 1.00 0.00 ATOM 334 CG1 ILE 47 1.126 1.972 14.927 1.00 0.00 ATOM 335 CG2 ILE 47 1.355 4.012 13.542 1.00 0.00 ATOM 336 CD1 ILE 47 1.115 0.953 13.808 1.00 0.00 ATOM 337 O ILE 47 -1.494 5.625 15.075 1.00 0.00 ATOM 338 C ILE 47 -0.303 5.517 15.379 1.00 0.00 ATOM 339 N TYR 48 0.561 6.527 15.330 1.00 0.00 ATOM 340 CA TYR 48 0.142 7.894 15.029 1.00 0.00 ATOM 341 CB TYR 48 0.637 8.857 16.110 1.00 0.00 ATOM 342 CG TYR 48 0.011 8.626 17.467 1.00 0.00 ATOM 343 CD1 TYR 48 0.637 7.826 18.414 1.00 0.00 ATOM 344 CD2 TYR 48 -1.205 9.211 17.799 1.00 0.00 ATOM 345 CE1 TYR 48 0.073 7.610 19.656 1.00 0.00 ATOM 346 CE2 TYR 48 -1.786 9.006 19.036 1.00 0.00 ATOM 347 CZ TYR 48 -1.135 8.198 19.967 1.00 0.00 ATOM 348 OH TYR 48 -1.699 7.986 21.204 1.00 0.00 ATOM 349 O TYR 48 1.792 8.338 13.330 1.00 0.00 ATOM 350 C TYR 48 0.629 8.501 13.712 1.00 0.00 ATOM 351 N ILE 49 -0.275 9.191 13.019 1.00 0.00 ATOM 352 CA ILE 49 0.072 9.925 11.796 1.00 0.00 ATOM 353 CB ILE 49 -0.342 9.147 10.534 1.00 0.00 ATOM 354 CG1 ILE 49 -1.854 8.903 10.529 1.00 0.00 ATOM 355 CG2 ILE 49 0.363 7.800 10.483 1.00 0.00 ATOM 356 CD1 ILE 49 -2.374 8.324 9.233 1.00 0.00 ATOM 357 O ILE 49 -1.658 11.397 12.566 1.00 0.00 ATOM 358 C ILE 49 -0.671 11.261 11.841 1.00 0.00 ATOM 359 N TYR 50 -0.184 12.248 11.093 1.00 0.00 ATOM 360 CA TYR 50 -0.824 13.561 11.064 1.00 0.00 ATOM 361 CB TYR 50 0.176 14.653 11.447 1.00 0.00 ATOM 362 CG TYR 50 1.327 14.798 10.476 1.00 0.00 ATOM 363 CD1 TYR 50 1.241 15.666 9.396 1.00 0.00 ATOM 364 CD2 TYR 50 2.495 14.066 10.644 1.00 0.00 ATOM 365 CE1 TYR 50 2.288 15.806 8.504 1.00 0.00 ATOM 366 CE2 TYR 50 3.551 14.192 9.763 1.00 0.00 ATOM 367 CZ TYR 50 3.438 15.071 8.686 1.00 0.00 ATOM 368 OH TYR 50 4.482 15.207 7.800 1.00 0.00 ATOM 369 O TYR 50 -0.822 13.306 8.683 1.00 0.00 ATOM 370 C TYR 50 -1.347 13.838 9.663 1.00 0.00 ATOM 371 N VAL 51 -2.375 14.677 9.568 1.00 0.00 ATOM 372 CA VAL 51 -2.977 14.962 8.272 1.00 0.00 ATOM 373 CB VAL 51 -3.846 13.788 7.782 1.00 0.00 ATOM 374 CG1 VAL 51 -2.993 12.550 7.559 1.00 0.00 ATOM 375 CG2 VAL 51 -4.917 13.454 8.809 1.00 0.00 ATOM 376 O VAL 51 -4.031 16.768 9.461 1.00 0.00 ATOM 377 C VAL 51 -3.862 16.201 8.370 1.00 0.00 ATOM 378 N SER 52 -4.425 16.609 7.233 1.00 0.00 ATOM 379 CA SER 52 -5.308 17.771 7.162 1.00 0.00 ATOM 380 CB SER 52 -5.324 18.344 5.743 1.00 0.00 ATOM 381 OG SER 52 -6.259 19.403 5.633 1.00 0.00 ATOM 382 O SER 52 -7.206 16.276 7.044 1.00 0.00 ATOM 383 C SER 52 -6.708 17.281 7.560 1.00 0.00 ATOM 384 N GLY 53 -7.338 17.980 8.501 1.00 0.00 ATOM 385 CA GLY 53 -8.654 17.573 8.985 1.00 0.00 ATOM 386 O GLY 53 -10.912 17.257 8.263 1.00 0.00 ATOM 387 C GLY 53 -9.808 17.728 7.998 1.00 0.00 ATOM 388 N LEU 54 -9.560 18.388 6.868 1.00 0.00 ATOM 389 CA LEU 54 -10.606 18.535 5.869 1.00 0.00 ATOM 390 CB LEU 54 -10.575 19.940 5.263 1.00 0.00 ATOM 391 CG LEU 54 -10.821 21.100 6.229 1.00 0.00 ATOM 392 CD1 LEU 54 -10.661 22.435 5.519 1.00 0.00 ATOM 393 CD2 LEU 54 -12.228 21.032 6.802 1.00 0.00 ATOM 394 O LEU 54 -11.220 17.485 3.786 1.00 0.00 ATOM 395 C LEU 54 -10.429 17.524 4.735 1.00 0.00 ATOM 396 N ALA 55 -9.388 16.698 4.840 1.00 0.00 ATOM 397 CA ALA 55 -9.090 15.690 3.820 1.00 0.00 ATOM 398 CB ALA 55 -7.745 15.036 4.098 1.00 0.00 ATOM 399 O ALA 55 -10.967 14.402 4.639 1.00 0.00 ATOM 400 C ALA 55 -10.120 14.568 3.748 1.00 0.00 ATOM 401 N VAL 56 -10.040 13.787 2.675 1.00 0.00 ATOM 402 CA VAL 56 -10.971 12.687 2.483 1.00 0.00 ATOM 403 CB VAL 56 -10.767 12.005 1.118 1.00 0.00 ATOM 404 CG1 VAL 56 -11.617 10.748 1.018 1.00 0.00 ATOM 405 CG2 VAL 56 -11.165 12.944 -0.011 1.00 0.00 ATOM 406 O VAL 56 -11.776 11.082 4.055 1.00 0.00 ATOM 407 C VAL 56 -10.793 11.626 3.557 1.00 0.00 ATOM 408 N HIS 57 -9.549 11.318 3.916 1.00 0.00 ATOM 409 CA HIS 57 -9.337 10.284 4.927 1.00 0.00 ATOM 410 CB HIS 57 -7.842 10.034 5.133 1.00 0.00 ATOM 411 CG HIS 57 -7.186 9.320 3.991 1.00 0.00 ATOM 412 CD2 HIS 57 -6.146 9.642 3.024 1.00 0.00 ATOM 413 ND1 HIS 57 -7.526 8.036 3.623 1.00 0.00 ATOM 414 CE1 HIS 57 -6.770 7.669 2.572 1.00 0.00 ATOM 415 NE2 HIS 57 -5.942 8.627 2.208 1.00 0.00 ATOM 416 O HIS 57 -10.461 9.875 7.010 1.00 0.00 ATOM 417 C HIS 57 -9.946 10.711 6.271 1.00 0.00 ATOM 418 N THR 58 -9.884 12.008 6.578 1.00 0.00 ATOM 419 CA THR 58 -10.447 12.519 7.838 1.00 0.00 ATOM 420 CB THR 58 -10.071 13.994 8.067 1.00 0.00 ATOM 421 CG2 THR 58 -10.700 14.511 9.351 1.00 0.00 ATOM 422 OG1 THR 58 -8.646 14.117 8.166 1.00 0.00 ATOM 423 O THR 58 -12.590 11.998 8.788 1.00 0.00 ATOM 424 C THR 58 -11.972 12.417 7.813 1.00 0.00 ATOM 425 N LYS 59 -12.585 12.820 6.704 1.00 0.00 ATOM 426 CA LYS 59 -14.042 12.729 6.584 1.00 0.00 ATOM 427 CB LYS 59 -14.504 13.288 5.237 1.00 0.00 ATOM 428 CG LYS 59 -14.365 14.797 5.111 1.00 0.00 ATOM 429 CD LYS 59 -14.845 15.283 3.753 1.00 0.00 ATOM 430 CE LYS 59 -14.685 16.789 3.618 1.00 0.00 ATOM 431 NZ LYS 59 -15.118 17.275 2.279 1.00 0.00 ATOM 432 O LYS 59 -15.517 10.943 7.287 1.00 0.00 ATOM 433 C LYS 59 -14.483 11.265 6.688 1.00 0.00 ATOM 434 N ASN 60 -13.701 10.366 6.099 1.00 0.00 ATOM 435 CA ASN 60 -14.072 8.960 6.131 1.00 0.00 ATOM 436 CB ASN 60 -13.169 8.147 5.200 1.00 0.00 ATOM 437 CG ASN 60 -13.476 8.388 3.735 1.00 0.00 ATOM 438 ND2 ASN 60 -12.511 8.089 2.872 1.00 0.00 ATOM 439 OD1 ASN 60 -14.568 8.835 3.385 1.00 0.00 ATOM 440 O ASN 60 -14.813 7.642 7.983 1.00 0.00 ATOM 441 C ASN 60 -13.940 8.384 7.535 1.00 0.00 ATOM 442 N ILE 61 -12.871 8.752 8.236 1.00 0.00 ATOM 443 CA ILE 61 -12.673 8.275 9.605 1.00 0.00 ATOM 444 CB ILE 61 -11.334 8.765 10.185 1.00 0.00 ATOM 445 CG1 ILE 61 -10.162 8.107 9.452 1.00 0.00 ATOM 446 CG2 ILE 61 -11.235 8.419 11.662 1.00 0.00 ATOM 447 CD1 ILE 61 -8.818 8.722 9.773 1.00 0.00 ATOM 448 O ILE 61 -14.267 8.058 11.412 1.00 0.00 ATOM 449 C ILE 61 -13.802 8.784 10.525 1.00 0.00 ATOM 450 N GLU 62 -14.248 10.022 10.317 1.00 0.00 ATOM 451 CA GLU 62 -15.323 10.562 11.152 1.00 0.00 ATOM 452 CB GLU 62 -15.643 12.003 10.748 1.00 0.00 ATOM 453 CG GLU 62 -14.564 13.007 11.121 1.00 0.00 ATOM 454 CD GLU 62 -14.871 14.405 10.622 1.00 0.00 ATOM 455 OE1 GLU 62 -15.894 14.577 9.926 1.00 0.00 ATOM 456 OE2 GLU 62 -14.089 15.330 10.928 1.00 0.00 ATOM 457 O GLU 62 -17.387 9.651 11.979 1.00 0.00 ATOM 458 C GLU 62 -16.610 9.747 11.022 1.00 0.00 ATOM 459 N ALA 63 -16.831 9.148 9.855 1.00 0.00 ATOM 460 CA ALA 63 -18.025 8.327 9.625 1.00 0.00 ATOM 461 CB ALA 63 -18.422 8.367 8.157 1.00 0.00 ATOM 462 O ALA 63 -18.752 6.155 10.391 1.00 0.00 ATOM 463 C ALA 63 -17.808 6.853 10.005 1.00 0.00 ATOM 464 N ASN 64 -16.566 6.388 9.889 1.00 0.00 ATOM 465 CA ASN 64 -16.215 4.996 10.209 1.00 0.00 ATOM 466 CB ASN 64 -16.349 4.111 8.969 1.00 0.00 ATOM 467 CG ASN 64 -16.111 2.645 9.271 1.00 0.00 ATOM 468 ND2 ASN 64 -16.548 1.777 8.366 1.00 0.00 ATOM 469 OD1 ASN 64 -15.542 2.298 10.306 1.00 0.00 ATOM 470 O ASN 64 -13.844 5.180 9.900 1.00 0.00 ATOM 471 C ASN 64 -14.769 5.028 10.697 1.00 0.00 ATOM 472 N PRO 65 -14.561 4.876 12.015 1.00 0.00 ATOM 473 CA PRO 65 -13.230 4.903 12.622 1.00 0.00 ATOM 474 CB PRO 65 -13.511 5.041 14.121 1.00 0.00 ATOM 475 CG PRO 65 -14.862 4.437 14.306 1.00 0.00 ATOM 476 CD PRO 65 -15.640 4.767 13.062 1.00 0.00 ATOM 477 O PRO 65 -11.174 3.704 12.799 1.00 0.00 ATOM 478 C PRO 65 -12.336 3.683 12.402 1.00 0.00 ATOM 479 N LEU 66 -12.874 2.638 11.773 1.00 0.00 ATOM 480 CA LEU 66 -12.114 1.411 11.511 1.00 0.00 ATOM 481 CB LEU 66 -13.057 0.269 11.126 1.00 0.00 ATOM 482 CG LEU 66 -12.402 -1.086 10.850 1.00 0.00 ATOM 483 CD1 LEU 66 -11.763 -1.641 12.112 1.00 0.00 ATOM 484 CD2 LEU 66 -13.434 -2.091 10.357 1.00 0.00 ATOM 485 O LEU 66 -11.501 1.943 9.246 1.00 0.00 ATOM 486 C LEU 66 -11.119 1.598 10.373 1.00 0.00 ATOM 487 N VAL 67 -9.844 1.363 10.661 1.00 0.00 ATOM 488 CA VAL 67 -8.823 1.516 9.631 1.00 0.00 ATOM 489 CB VAL 67 -7.995 2.796 9.842 1.00 0.00 ATOM 490 CG1 VAL 67 -8.884 4.028 9.749 1.00 0.00 ATOM 491 CG2 VAL 67 -7.337 2.783 11.214 1.00 0.00 ATOM 492 O VAL 67 -7.767 -0.447 10.543 1.00 0.00 ATOM 493 C VAL 67 -7.842 0.356 9.606 1.00 0.00 ATOM 494 N ASN 68 -7.098 0.267 8.511 1.00 0.00 ATOM 495 CA ASN 68 -6.074 -0.754 8.356 1.00 0.00 ATOM 496 CB ASN 68 -6.492 -1.774 7.294 1.00 0.00 ATOM 497 CG ASN 68 -7.777 -2.493 7.651 1.00 0.00 ATOM 498 ND2 ASN 68 -8.852 -2.167 6.941 1.00 0.00 ATOM 499 OD1 ASN 68 -7.802 -3.333 8.551 1.00 0.00 ATOM 500 O ASN 68 -4.877 0.966 7.182 1.00 0.00 ATOM 501 C ASN 68 -4.816 -0.018 7.933 1.00 0.00 ATOM 502 N VAL 69 -3.683 -0.471 8.449 1.00 0.00 ATOM 503 CA VAL 69 -2.391 0.124 8.127 1.00 0.00 ATOM 504 CB VAL 69 -1.735 0.753 9.371 1.00 0.00 ATOM 505 CG1 VAL 69 -0.365 1.316 9.023 1.00 0.00 ATOM 506 CG2 VAL 69 -2.596 1.882 9.915 1.00 0.00 ATOM 507 O VAL 69 -1.470 -2.063 8.165 1.00 0.00 ATOM 508 C VAL 69 -1.505 -0.990 7.588 1.00 0.00 ATOM 509 N LEU 70 -0.787 -0.739 6.496 1.00 0.00 ATOM 510 CA LEU 70 0.098 -1.766 5.954 1.00 0.00 ATOM 511 CB LEU 70 -0.502 -2.375 4.685 1.00 0.00 ATOM 512 CG LEU 70 0.351 -3.425 3.969 1.00 0.00 ATOM 513 CD1 LEU 70 0.491 -4.677 4.822 1.00 0.00 ATOM 514 CD2 LEU 70 -0.287 -3.821 2.645 1.00 0.00 ATOM 515 O LEU 70 1.540 -0.132 4.945 1.00 0.00 ATOM 516 C LEU 70 1.453 -1.177 5.604 1.00 0.00 ATOM 517 N PHE 71 2.502 -1.830 6.090 1.00 0.00 ATOM 518 CA PHE 71 3.871 -1.410 5.819 1.00 0.00 ATOM 519 CB PHE 71 4.756 -1.641 7.045 1.00 0.00 ATOM 520 CG PHE 71 4.416 -0.758 8.211 1.00 0.00 ATOM 521 CD1 PHE 71 3.531 -1.185 9.187 1.00 0.00 ATOM 522 CD2 PHE 71 4.981 0.499 8.335 1.00 0.00 ATOM 523 CE1 PHE 71 3.219 -0.373 10.261 1.00 0.00 ATOM 524 CE2 PHE 71 4.668 1.312 9.408 1.00 0.00 ATOM 525 CZ PHE 71 3.791 0.880 10.370 1.00 0.00 ATOM 526 O PHE 71 4.520 -3.476 4.780 1.00 0.00 ATOM 527 C PHE 71 4.334 -2.265 4.642 1.00 0.00 ATOM 531 N ASP 74 4.489 -1.641 3.462 1.00 0.00 ATOM 532 CA ASP 74 4.911 -2.322 2.240 1.00 0.00 ATOM 533 CB ASP 74 4.587 -1.469 1.012 1.00 0.00 ATOM 534 CG ASP 74 4.826 -2.209 -0.290 1.00 0.00 ATOM 535 OD1 ASP 74 5.101 -3.426 -0.239 1.00 0.00 ATOM 536 OD2 ASP 74 4.739 -1.570 -1.360 1.00 0.00 ATOM 537 O ASP 74 7.145 -1.981 1.472 1.00 0.00 ATOM 538 C ASP 74 6.410 -2.598 2.226 1.00 0.00 ATOM 539 N GLU 75 6.848 -3.537 3.057 1.00 0.00 ATOM 540 CA GLU 75 8.266 -3.860 3.146 1.00 0.00 ATOM 541 CB GLU 75 8.666 -4.123 4.599 1.00 0.00 ATOM 542 CG GLU 75 8.356 -2.976 5.545 1.00 0.00 ATOM 543 CD GLU 75 9.038 -1.683 5.139 1.00 0.00 ATOM 544 OE1 GLU 75 10.264 -1.709 4.901 1.00 0.00 ATOM 545 OE2 GLU 75 8.347 -0.647 5.057 1.00 0.00 ATOM 546 O GLU 75 9.524 -5.845 2.739 1.00 0.00 ATOM 547 C GLU 75 8.642 -5.101 2.343 1.00 0.00 ATOM 548 N ALA 76 7.981 -5.311 1.213 1.00 0.00 ATOM 549 CA ALA 76 8.263 -6.483 0.395 1.00 0.00 ATOM 550 CB ALA 76 7.337 -6.521 -0.812 1.00 0.00 ATOM 551 O ALA 76 10.161 -7.614 -0.507 1.00 0.00 ATOM 552 C ALA 76 9.694 -6.538 -0.150 1.00 0.00 ATOM 553 N LYS 77 10.384 -5.402 -0.217 1.00 0.00 ATOM 554 CA LYS 77 11.755 -5.420 -0.704 1.00 0.00 ATOM 555 CB LYS 77 12.318 -3.999 -0.773 1.00 0.00 ATOM 556 CG LYS 77 11.678 -3.129 -1.841 1.00 0.00 ATOM 557 CD LYS 77 12.262 -1.726 -1.834 1.00 0.00 ATOM 558 CE LYS 77 11.651 -0.866 -2.928 1.00 0.00 ATOM 559 NZ LYS 77 12.193 0.520 -2.914 1.00 0.00 ATOM 560 O LYS 77 13.628 -6.811 -0.097 1.00 0.00 ATOM 561 C LYS 77 12.584 -6.259 0.265 1.00 0.00 ATOM 562 N THR 78 12.111 -6.362 1.503 1.00 0.00 ATOM 563 CA THR 78 12.776 -7.168 2.515 1.00 0.00 ATOM 564 CB THR 78 12.931 -6.398 3.838 1.00 0.00 ATOM 565 CG2 THR 78 13.803 -5.167 3.641 1.00 0.00 ATOM 566 OG1 THR 78 11.642 -5.981 4.306 1.00 0.00 ATOM 567 O THR 78 12.136 -9.106 3.788 1.00 0.00 ATOM 568 C THR 78 11.952 -8.425 2.779 1.00 0.00 ATOM 569 N ASN 79 11.038 -8.722 1.862 1.00 0.00 ATOM 570 CA ASN 79 10.177 -9.898 1.980 1.00 0.00 ATOM 571 CB ASN 79 11.016 -11.178 1.988 1.00 0.00 ATOM 572 CG ASN 79 11.692 -11.440 0.657 1.00 0.00 ATOM 573 ND2 ASN 79 12.823 -12.136 0.695 1.00 0.00 ATOM 574 OD1 ASN 79 11.203 -11.020 -0.393 1.00 0.00 ATOM 575 O ASN 79 9.201 -10.912 3.931 1.00 0.00 ATOM 576 C ASN 79 9.346 -9.892 3.263 1.00 0.00 ATOM 580 N ARG 85 8.781 -8.734 3.582 1.00 0.00 ATOM 581 CA ARG 85 7.973 -8.591 4.781 1.00 0.00 ATOM 582 CB ARG 85 8.812 -8.021 5.927 1.00 0.00 ATOM 583 CG ARG 85 9.922 -8.944 6.402 1.00 0.00 ATOM 584 CD ARG 85 10.663 -8.351 7.590 1.00 0.00 ATOM 585 NE ARG 85 11.704 -9.247 8.088 1.00 0.00 ATOM 586 CZ ARG 85 12.462 -8.993 9.150 1.00 0.00 ATOM 587 NH1 ARG 85 13.384 -9.867 9.531 1.00 0.00 ATOM 588 NH2 ARG 85 12.296 -7.866 9.829 1.00 0.00 ATOM 589 O ARG 85 6.799 -6.814 3.702 1.00 0.00 ATOM 590 C ARG 85 6.790 -7.661 4.583 1.00 0.00 ATOM 591 N ARG 86 5.774 -7.842 5.417 1.00 0.00 ATOM 592 CA ARG 86 4.610 -6.964 5.433 1.00 0.00 ATOM 593 CB ARG 86 3.513 -7.511 4.518 1.00 0.00 ATOM 594 CG ARG 86 3.875 -7.502 3.040 1.00 0.00 ATOM 595 CD ARG 86 2.681 -7.873 2.177 1.00 0.00 ATOM 596 NE ARG 86 2.320 -9.281 2.318 1.00 0.00 ATOM 597 CZ ARG 86 1.127 -9.780 2.012 1.00 0.00 ATOM 598 NH1 ARG 86 0.889 -11.075 2.173 1.00 0.00 ATOM 599 NH2 ARG 86 0.175 -8.985 1.545 1.00 0.00 ATOM 600 O ARG 86 4.357 -7.953 7.578 1.00 0.00 ATOM 601 C ARG 86 4.183 -6.963 6.880 1.00 0.00 ATOM 602 N LEU 87 3.656 -5.837 7.333 1.00 0.00 ATOM 603 CA LEU 87 3.105 -5.755 8.681 1.00 0.00 ATOM 604 CB LEU 87 4.030 -4.938 9.588 1.00 0.00 ATOM 605 CG LEU 87 5.425 -5.517 9.829 1.00 0.00 ATOM 606 CD1 LEU 87 6.291 -4.528 10.593 1.00 0.00 ATOM 607 CD2 LEU 87 5.340 -6.802 10.641 1.00 0.00 ATOM 608 O LEU 87 1.703 -4.078 7.701 1.00 0.00 ATOM 609 C LEU 87 1.763 -5.066 8.441 1.00 0.00 ATOM 610 N SER 88 0.692 -5.592 9.029 1.00 0.00 ATOM 611 CA SER 88 -0.628 -4.994 8.879 1.00 0.00 ATOM 612 CB SER 88 -1.540 -5.906 8.055 1.00 0.00 ATOM 613 OG SER 88 -2.831 -5.340 7.908 1.00 0.00 ATOM 614 O SER 88 -1.135 -5.692 11.109 1.00 0.00 ATOM 615 C SER 88 -1.215 -4.801 10.262 1.00 0.00 ATOM 616 N PHE 89 -1.788 -3.623 10.484 1.00 0.00 ATOM 617 CA PHE 89 -2.379 -3.274 11.774 1.00 0.00 ATOM 618 CB PHE 89 -1.654 -2.075 12.389 1.00 0.00 ATOM 619 CG PHE 89 -0.217 -2.344 12.730 1.00 0.00 ATOM 620 CD1 PHE 89 0.788 -2.075 11.816 1.00 0.00 ATOM 621 CD2 PHE 89 0.132 -2.867 13.963 1.00 0.00 ATOM 622 CE1 PHE 89 2.111 -2.323 12.130 1.00 0.00 ATOM 623 CE2 PHE 89 1.455 -3.115 14.276 1.00 0.00 ATOM 624 CZ PHE 89 2.442 -2.845 13.365 1.00 0.00 ATOM 625 O PHE 89 -4.195 -2.178 10.651 1.00 0.00 ATOM 626 C PHE 89 -3.851 -2.919 11.576 1.00 0.00 ATOM 627 N ASP 90 -4.708 -3.461 12.434 1.00 0.00 ATOM 628 CA ASP 90 -6.145 -3.193 12.392 1.00 0.00 ATOM 629 CB ASP 90 -6.930 -4.499 12.252 1.00 0.00 ATOM 630 CG ASP 90 -8.410 -4.268 12.012 1.00 0.00 ATOM 631 OD1 ASP 90 -9.035 -3.543 12.814 1.00 0.00 ATOM 632 OD2 ASP 90 -8.943 -4.811 11.022 1.00 0.00 ATOM 633 O ASP 90 -6.139 -2.980 14.774 1.00 0.00 ATOM 634 C ASP 90 -6.508 -2.497 13.700 1.00 0.00 ATOM 635 N CYS 91 -7.220 -1.376 13.611 1.00 0.00 ATOM 636 CA CYS 91 -7.621 -0.665 14.813 1.00 0.00 ATOM 637 CB CYS 91 -6.402 -0.051 15.505 1.00 0.00 ATOM 638 SG CYS 91 -5.552 1.217 14.535 1.00 0.00 ATOM 639 O CYS 91 -9.060 0.611 13.377 1.00 0.00 ATOM 640 C CYS 91 -8.593 0.462 14.515 1.00 0.00 ATOM 641 N THR 92 -8.906 1.247 15.544 1.00 0.00 ATOM 642 CA THR 92 -9.815 2.388 15.426 1.00 0.00 ATOM 643 CB THR 92 -10.841 2.413 16.574 1.00 0.00 ATOM 644 CG2 THR 92 -11.770 3.609 16.431 1.00 0.00 ATOM 645 OG1 THR 92 -11.622 1.213 16.548 1.00 0.00 ATOM 646 O THR 92 -8.058 3.747 16.281 1.00 0.00 ATOM 647 C THR 92 -8.981 3.650 15.468 1.00 0.00 ATOM 648 N ALA 93 -9.297 4.616 14.607 1.00 0.00 ATOM 649 CA ALA 93 -8.579 5.887 14.586 1.00 0.00 ATOM 650 CB ALA 93 -8.546 6.455 13.175 1.00 0.00 ATOM 651 O ALA 93 -10.501 7.058 15.426 1.00 0.00 ATOM 652 C ALA 93 -9.282 6.882 15.508 1.00 0.00 ATOM 653 N THR 94 -8.509 7.527 16.379 1.00 0.00 ATOM 654 CA THR 94 -9.055 8.514 17.311 1.00 0.00 ATOM 655 CB THR 94 -8.960 8.026 18.769 1.00 0.00 ATOM 656 CG2 THR 94 -9.544 9.062 19.716 1.00 0.00 ATOM 657 OG1 THR 94 -9.691 6.802 18.914 1.00 0.00 ATOM 658 O THR 94 -7.023 9.726 16.918 1.00 0.00 ATOM 659 C THR 94 -8.235 9.785 17.140 1.00 0.00 ATOM 660 N LEU 95 -8.888 10.934 17.257 1.00 0.00 ATOM 661 CA LEU 95 -8.196 12.208 17.114 1.00 0.00 ATOM 662 CB LEU 95 -9.200 13.361 17.059 1.00 0.00 ATOM 663 CG LEU 95 -8.622 14.750 16.780 1.00 0.00 ATOM 664 CD1 LEU 95 -8.032 14.815 15.379 1.00 0.00 ATOM 665 CD2 LEU 95 -9.704 15.814 16.888 1.00 0.00 ATOM 666 O LEU 95 -7.515 12.105 19.427 1.00 0.00 ATOM 667 C LEU 95 -7.239 12.488 18.278 1.00 0.00 ATOM 668 N ILE 96 -6.111 13.135 17.981 1.00 0.00 ATOM 669 CA ILE 96 -5.158 13.543 19.016 1.00 0.00 ATOM 670 CB ILE 96 -3.731 13.674 18.450 1.00 0.00 ATOM 671 CG1 ILE 96 -2.718 13.816 19.587 1.00 0.00 ATOM 672 CG2 ILE 96 -3.625 14.899 17.553 1.00 0.00 ATOM 673 CD1 ILE 96 -1.278 13.684 19.141 1.00 0.00 ATOM 674 O ILE 96 -6.379 15.611 18.848 1.00 0.00 ATOM 675 C ILE 96 -5.639 14.901 19.544 1.00 0.00 ATOM 676 N GLU 97 -5.205 15.270 20.754 1.00 0.00 ATOM 677 CA GLU 97 -5.582 16.552 21.364 1.00 0.00 ATOM 678 CB GLU 97 -5.377 16.504 22.880 1.00 0.00 ATOM 679 CG GLU 97 -6.288 15.522 23.600 1.00 0.00 ATOM 680 CD GLU 97 -6.118 15.565 25.105 1.00 0.00 ATOM 681 OE1 GLU 97 -5.207 16.276 25.580 1.00 0.00 ATOM 682 OE2 GLU 97 -6.897 14.888 25.810 1.00 0.00 ATOM 683 O GLU 97 -3.669 17.358 20.163 1.00 0.00 ATOM 684 C GLU 97 -4.705 17.651 20.768 1.00 0.00 ATOM 685 N ARG 98 -5.081 18.917 20.934 1.00 0.00 ATOM 686 CA ARG 98 -4.239 19.948 20.347 1.00 0.00 ATOM 687 CB ARG 98 -4.910 21.318 20.459 1.00 0.00 ATOM 688 CG ARG 98 -6.119 21.492 19.553 1.00 0.00 ATOM 689 CD ARG 98 -6.786 22.840 19.776 1.00 0.00 ATOM 690 NE ARG 98 -7.956 23.019 18.918 1.00 0.00 ATOM 691 CZ ARG 98 -8.792 24.047 19.003 1.00 0.00 ATOM 692 NH1 ARG 98 -9.830 24.127 18.181 1.00 0.00 ATOM 693 NH2 ARG 98 -8.590 24.994 19.909 1.00 0.00 ATOM 694 O ARG 98 -1.893 20.370 20.420 1.00 0.00 ATOM 695 C ARG 98 -2.887 20.030 21.049 1.00 0.00 ATOM 696 N GLU 99 -2.834 19.678 22.331 1.00 0.00 ATOM 697 CA GLU 99 -1.559 19.706 23.052 1.00 0.00 ATOM 698 CB GLU 99 -1.743 19.206 24.486 1.00 0.00 ATOM 699 CG GLU 99 -0.476 19.245 25.323 1.00 0.00 ATOM 700 CD GLU 99 -0.703 18.775 26.747 1.00 0.00 ATOM 701 OE1 GLU 99 -1.856 18.432 27.082 1.00 0.00 ATOM 702 OE2 GLU 99 0.271 18.750 27.528 1.00 0.00 ATOM 703 O GLU 99 0.570 19.168 22.031 1.00 0.00 ATOM 704 C GLU 99 -0.569 18.791 22.308 1.00 0.00 ATOM 705 N SER 100 -1.022 17.588 21.977 1.00 0.00 ATOM 706 CA SER 100 -0.174 16.635 21.267 1.00 0.00 ATOM 707 CB SER 100 -0.889 15.291 21.116 1.00 0.00 ATOM 708 OG SER 100 -1.075 14.668 22.375 1.00 0.00 ATOM 709 O SER 100 1.340 17.083 19.463 1.00 0.00 ATOM 710 C SER 100 0.182 17.137 19.873 1.00 0.00 ATOM 711 N GLN 101 -0.819 17.611 19.139 1.00 0.00 ATOM 712 CA GLN 101 -0.591 18.114 17.793 1.00 0.00 ATOM 713 CB GLN 101 -1.907 18.577 17.164 1.00 0.00 ATOM 714 CG GLN 101 -2.859 17.444 16.813 1.00 0.00 ATOM 715 CD GLN 101 -4.202 17.945 16.317 1.00 0.00 ATOM 716 OE1 GLN 101 -4.460 19.148 16.306 1.00 0.00 ATOM 717 NE2 GLN 101 -5.061 17.020 15.905 1.00 0.00 ATOM 718 O GLN 101 1.331 19.324 17.026 1.00 0.00 ATOM 719 C GLN 101 0.376 19.302 17.805 1.00 0.00 ATOM 720 N LYS 102 0.147 20.276 18.686 1.00 0.00 ATOM 721 CA LYS 102 1.036 21.440 18.755 1.00 0.00 ATOM 722 CB LYS 102 0.604 22.378 19.884 1.00 0.00 ATOM 723 CG LYS 102 1.450 23.637 20.003 1.00 0.00 ATOM 724 CD LYS 102 0.923 24.554 21.094 1.00 0.00 ATOM 725 CE LYS 102 1.797 25.788 21.246 1.00 0.00 ATOM 726 NZ LYS 102 1.307 26.685 22.328 1.00 0.00 ATOM 727 O LYS 102 3.403 21.442 18.345 1.00 0.00 ATOM 728 C LYS 102 2.476 20.995 19.018 1.00 0.00 ATOM 729 N TRP 103 2.649 20.118 20.004 1.00 0.00 ATOM 730 CA TRP 103 3.969 19.611 20.373 1.00 0.00 ATOM 731 CB TRP 103 3.846 18.518 21.436 1.00 0.00 ATOM 732 CG TRP 103 5.164 17.972 21.891 1.00 0.00 ATOM 733 CD1 TRP 103 5.715 16.771 21.549 1.00 0.00 ATOM 734 CD2 TRP 103 6.100 18.607 22.772 1.00 0.00 ATOM 735 CE2 TRP 103 7.193 17.732 22.918 1.00 0.00 ATOM 736 CE3 TRP 103 6.118 19.830 23.449 1.00 0.00 ATOM 737 NE1 TRP 103 6.934 16.616 22.163 1.00 0.00 ATOM 738 CZ2 TRP 103 8.295 18.041 23.715 1.00 0.00 ATOM 739 CZ3 TRP 103 7.212 20.132 24.237 1.00 0.00 ATOM 740 CH2 TRP 103 8.287 19.244 24.366 1.00 0.00 ATOM 741 O TRP 103 5.853 19.386 18.910 1.00 0.00 ATOM 742 C TRP 103 4.713 19.012 19.183 1.00 0.00 ATOM 743 N ASN 104 4.077 18.084 18.474 1.00 0.00 ATOM 744 CA ASN 104 4.731 17.482 17.323 1.00 0.00 ATOM 745 CB ASN 104 3.875 16.347 16.753 1.00 0.00 ATOM 746 CG ASN 104 3.881 15.114 17.636 1.00 0.00 ATOM 747 ND2 ASN 104 2.869 14.269 17.474 1.00 0.00 ATOM 748 OD1 ASN 104 4.783 14.928 18.452 1.00 0.00 ATOM 749 O ASN 104 6.038 18.544 15.618 1.00 0.00 ATOM 750 C ASN 104 4.960 18.497 16.210 1.00 0.00 ATOM 751 N GLN 105 3.943 19.309 15.926 1.00 0.00 ATOM 752 CA GLN 105 4.031 20.313 14.869 1.00 0.00 ATOM 753 CB GLN 105 2.763 21.169 14.837 1.00 0.00 ATOM 754 CG GLN 105 2.716 22.167 13.692 1.00 0.00 ATOM 755 CD GLN 105 2.691 21.494 12.334 1.00 0.00 ATOM 756 OE1 GLN 105 1.941 20.544 12.115 1.00 0.00 ATOM 757 NE2 GLN 105 3.516 21.986 11.416 1.00 0.00 ATOM 758 O GLN 105 5.892 21.601 14.056 1.00 0.00 ATOM 759 C GLN 105 5.211 21.277 15.029 1.00 0.00 ATOM 760 N VAL 106 5.448 21.746 16.248 1.00 0.00 ATOM 761 CA VAL 106 6.544 22.684 16.468 1.00 0.00 ATOM 762 CB VAL 106 6.329 23.513 17.747 1.00 0.00 ATOM 763 CG1 VAL 106 5.042 24.315 17.653 1.00 0.00 ATOM 764 CG2 VAL 106 6.241 22.602 18.962 1.00 0.00 ATOM 765 O VAL 106 8.917 22.693 16.882 1.00 0.00 ATOM 766 C VAL 106 7.916 22.021 16.620 1.00 0.00 ATOM 767 N VAL 107 7.960 20.706 16.435 1.00 0.00 ATOM 768 CA VAL 107 9.212 19.972 16.548 1.00 0.00 ATOM 769 CB VAL 107 9.045 18.696 17.395 1.00 0.00 ATOM 770 CG1 VAL 107 8.617 19.049 18.811 1.00 0.00 ATOM 771 CG2 VAL 107 7.988 17.787 16.785 1.00 0.00 ATOM 772 O VAL 107 10.780 18.939 15.061 1.00 0.00 ATOM 773 C VAL 107 9.718 19.554 15.172 1.00 0.00 ATOM 774 N ASP 108 8.962 19.882 14.129 1.00 0.00 ATOM 775 CA ASP 108 9.340 19.522 12.763 1.00 0.00 ATOM 776 CB ASP 108 8.119 19.028 11.982 1.00 0.00 ATOM 777 CG ASP 108 7.638 17.670 12.450 1.00 0.00 ATOM 778 OD1 ASP 108 8.370 17.015 13.222 1.00 0.00 ATOM 779 OD2 ASP 108 6.531 17.260 12.046 1.00 0.00 ATOM 780 O ASP 108 9.661 21.881 12.407 1.00 0.00 ATOM 781 C ASP 108 9.925 20.737 12.033 1.00 0.00 ATOM 782 N GLN 109 10.764 20.504 11.003 1.00 0.00 ATOM 783 CA GLN 109 11.377 21.592 10.233 1.00 0.00 ATOM 784 CB GLN 109 11.931 21.065 8.907 1.00 0.00 ATOM 785 CG GLN 109 12.690 22.103 8.097 1.00 0.00 ATOM 786 CD GLN 109 13.191 21.555 6.774 1.00 0.00 ATOM 787 OE1 GLN 109 12.959 20.392 6.445 1.00 0.00 ATOM 788 NE2 GLN 109 13.883 22.394 6.012 1.00 0.00 ATOM 789 O GLN 109 9.206 22.439 9.659 1.00 0.00 ATOM 790 C GLN 109 10.381 22.702 9.904 1.00 0.00 ATOM 791 N PHE 110 10.859 23.942 9.895 1.00 0.00 ATOM 792 CA PHE 110 9.989 25.077 9.625 1.00 0.00 ATOM 793 CB PHE 110 10.761 26.389 9.773 1.00 0.00 ATOM 794 CG PHE 110 11.001 26.794 11.200 1.00 0.00 ATOM 795 CD1 PHE 110 12.240 26.608 11.788 1.00 0.00 ATOM 796 CD2 PHE 110 9.988 27.360 11.954 1.00 0.00 ATOM 797 CE1 PHE 110 12.461 26.981 13.101 1.00 0.00 ATOM 798 CE2 PHE 110 10.207 27.732 13.267 1.00 0.00 ATOM 799 CZ PHE 110 11.438 27.544 13.841 1.00 0.00 ATOM 800 O PHE 110 8.268 25.668 8.074 1.00 0.00 ATOM 801 C PHE 110 9.363 25.129 8.235 1.00 0.00 ATOM 802 N GLN 111 10.030 24.578 7.228 1.00 0.00 ATOM 803 CA GLN 111 9.449 24.595 5.889 1.00 0.00 ATOM 804 CB GLN 111 10.487 24.169 4.849 1.00 0.00 ATOM 805 CG GLN 111 11.603 25.178 4.634 1.00 0.00 ATOM 806 CD GLN 111 12.643 24.695 3.644 1.00 0.00 ATOM 807 OE1 GLN 111 12.560 23.576 3.139 1.00 0.00 ATOM 808 NE2 GLN 111 13.629 25.539 3.364 1.00 0.00 ATOM 809 O GLN 111 7.369 23.821 4.974 1.00 0.00 ATOM 810 C GLN 111 8.262 23.639 5.802 1.00 0.00 ATOM 811 N GLU 112 8.251 22.622 6.656 1.00 0.00 ATOM 812 CA GLU 112 7.144 21.673 6.663 1.00 0.00 ATOM 813 CB GLU 112 7.566 20.362 7.328 1.00 0.00 ATOM 814 CG GLU 112 8.620 19.585 6.555 1.00 0.00 ATOM 815 CD GLU 112 9.064 18.327 7.278 1.00 0.00 ATOM 816 OE1 GLU 112 8.558 18.072 8.391 1.00 0.00 ATOM 817 OE2 GLU 112 9.919 17.600 6.732 1.00 0.00 ATOM 818 O GLU 112 4.817 22.050 7.154 1.00 0.00 ATOM 819 C GLU 112 5.988 22.297 7.444 1.00 0.00 ATOM 820 N ARG 113 6.329 23.113 8.436 1.00 0.00 ATOM 821 CA ARG 113 5.311 23.786 9.231 1.00 0.00 ATOM 822 CB ARG 113 5.955 24.552 10.388 1.00 0.00 ATOM 823 CG ARG 113 6.526 23.663 11.480 1.00 0.00 ATOM 824 CD ARG 113 7.253 24.482 12.535 1.00 0.00 ATOM 825 NE ARG 113 6.344 25.357 13.270 1.00 0.00 ATOM 826 CZ ARG 113 6.740 26.346 14.067 1.00 0.00 ATOM 827 NH1 ARG 113 5.840 27.090 14.695 1.00 0.00 ATOM 828 NH2 ARG 113 8.033 26.585 14.233 1.00 0.00 ATOM 829 O ARG 113 3.353 24.879 8.382 1.00 0.00 ATOM 830 C ARG 113 4.575 24.753 8.315 1.00 0.00 ATOM 831 N PHE 114 5.325 25.421 7.443 1.00 0.00 ATOM 832 CA PHE 114 4.749 26.378 6.501 1.00 0.00 ATOM 833 CB PHE 114 5.855 27.163 5.792 1.00 0.00 ATOM 834 CG PHE 114 5.343 28.183 4.816 1.00 0.00 ATOM 835 CD1 PHE 114 4.836 29.393 5.257 1.00 0.00 ATOM 836 CD2 PHE 114 5.368 27.933 3.454 1.00 0.00 ATOM 837 CE1 PHE 114 4.366 30.331 4.359 1.00 0.00 ATOM 838 CE2 PHE 114 4.897 28.872 2.555 1.00 0.00 ATOM 839 CZ PHE 114 4.397 30.067 3.003 1.00 0.00 ATOM 840 O PHE 114 2.843 26.213 5.047 1.00 0.00 ATOM 841 C PHE 114 3.903 25.710 5.418 1.00 0.00 ATOM 842 N GLY 115 4.378 24.581 4.900 1.00 0.00 ATOM 843 CA GLY 115 3.636 23.883 3.865 1.00 0.00 ATOM 844 O GLY 115 1.369 23.192 3.513 1.00 0.00 ATOM 845 C GLY 115 2.281 23.352 4.318 1.00 0.00 ATOM 846 N GLN 116 2.149 23.070 5.611 1.00 0.00 ATOM 847 CA GLN 116 0.892 22.555 6.149 1.00 0.00 ATOM 848 CB GLN 116 1.016 22.307 7.655 1.00 0.00 ATOM 849 CG GLN 116 1.970 21.183 8.021 1.00 0.00 ATOM 850 CD GLN 116 1.536 19.843 7.460 1.00 0.00 ATOM 851 OE1 GLN 116 0.358 19.488 7.519 1.00 0.00 ATOM 852 NE2 GLN 116 2.487 19.093 6.917 1.00 0.00 ATOM 853 O GLN 116 -1.415 23.155 5.830 1.00 0.00 ATOM 854 C GLN 116 -0.248 23.548 5.922 1.00 0.00 ATOM 855 N ILE 117 0.098 24.831 5.818 1.00 0.00 ATOM 856 CA ILE 117 -0.885 25.895 5.612 1.00 0.00 ATOM 857 CB ILE 117 -0.306 27.273 5.978 1.00 0.00 ATOM 858 CG1 ILE 117 -1.432 28.292 6.164 1.00 0.00 ATOM 859 CG2 ILE 117 0.617 27.773 4.876 1.00 0.00 ATOM 860 CD1 ILE 117 -0.974 29.612 6.744 1.00 0.00 ATOM 861 O ILE 117 -2.516 26.459 3.936 1.00 0.00 ATOM 862 C ILE 117 -1.392 26.027 4.182 1.00 0.00 ATOM 863 N ILE 118 -0.533 25.656 3.246 1.00 0.00 ATOM 864 CA ILE 118 -0.806 25.780 1.823 1.00 0.00 ATOM 865 CB ILE 118 0.306 25.136 0.976 1.00 0.00 ATOM 866 CG1 ILE 118 1.617 25.909 1.141 1.00 0.00 ATOM 867 CG2 ILE 118 -0.074 25.142 -0.496 1.00 0.00 ATOM 868 CD1 ILE 118 2.823 25.193 0.574 1.00 0.00 ATOM 869 O ILE 118 -2.899 25.886 0.651 1.00 0.00 ATOM 870 C ILE 118 -2.062 25.177 1.218 1.00 0.00 ATOM 871 N GLU 119 -2.182 23.861 1.338 1.00 0.00 ATOM 872 CA GLU 119 -3.263 23.131 0.695 1.00 0.00 ATOM 873 CB GLU 119 -2.756 21.790 0.158 1.00 0.00 ATOM 874 CG GLU 119 -1.727 21.916 -0.954 1.00 0.00 ATOM 875 CD GLU 119 -1.252 20.569 -1.462 1.00 0.00 ATOM 876 OE1 GLU 119 -1.654 19.539 -0.880 1.00 0.00 ATOM 877 OE2 GLU 119 -0.478 20.543 -2.441 1.00 0.00 ATOM 878 O GLU 119 -4.491 22.246 2.567 1.00 0.00 ATOM 879 C GLU 119 -4.529 22.712 1.429 1.00 0.00 ATOM 880 N VAL 120 -5.655 22.879 0.742 1.00 0.00 ATOM 881 CA VAL 120 -6.953 22.458 1.258 1.00 0.00 ATOM 882 CB VAL 120 -8.095 23.317 0.684 1.00 0.00 ATOM 883 CG1 VAL 120 -9.430 22.888 1.271 1.00 0.00 ATOM 884 CG2 VAL 120 -7.874 24.785 1.016 1.00 0.00 ATOM 885 O VAL 120 -7.789 20.640 -0.111 1.00 0.00 ATOM 886 C VAL 120 -7.012 21.002 0.776 1.00 0.00 ATOM 887 N LEU 121 -6.152 20.188 1.376 1.00 0.00 ATOM 888 CA LEU 121 -5.998 18.779 1.031 1.00 0.00 ATOM 889 CB LEU 121 -5.517 17.979 2.244 1.00 0.00 ATOM 890 CG LEU 121 -5.291 16.483 2.022 1.00 0.00 ATOM 891 CD1 LEU 121 -4.189 16.250 1.001 1.00 0.00 ATOM 892 CD2 LEU 121 -4.887 15.802 3.321 1.00 0.00 ATOM 893 O LEU 121 -8.271 18.009 1.186 1.00 0.00 ATOM 894 C LEU 121 -7.223 18.015 0.541 1.00 0.00 ATOM 895 N ARG 122 5.798 30.288 12.822 1.00 0.00 ATOM 896 CA ARG 122 4.715 29.621 12.098 1.00 0.00 ATOM 897 CB ARG 122 5.278 28.574 11.135 1.00 0.00 ATOM 898 CG ARG 122 4.218 27.808 10.361 1.00 0.00 ATOM 899 CD ARG 122 3.472 28.718 9.400 1.00 0.00 ATOM 900 NE ARG 122 2.430 28.002 8.667 1.00 0.00 ATOM 901 CZ ARG 122 1.199 27.797 9.127 1.00 0.00 ATOM 902 NH1 ARG 122 0.318 27.135 8.391 1.00 0.00 ATOM 903 NH2 ARG 122 0.854 28.255 10.323 1.00 0.00 ATOM 904 O ARG 122 4.016 27.843 13.582 1.00 0.00 ATOM 905 C ARG 122 3.720 28.892 13.007 1.00 0.00 ATOM 906 N GLY 123 2.510 29.457 13.137 1.00 0.00 ATOM 907 CA GLY 123 1.414 28.934 13.959 1.00 0.00 ATOM 908 O GLY 123 0.941 27.310 12.247 1.00 0.00 ATOM 909 C GLY 123 0.803 27.639 13.427 1.00 0.00 ATOM 910 N LEU 124 0.128 26.910 14.314 1.00 0.00 ATOM 911 CA LEU 124 -0.528 25.656 13.963 1.00 0.00 ATOM 912 CB LEU 124 -0.810 24.828 15.219 1.00 0.00 ATOM 913 CG LEU 124 0.412 24.351 16.006 1.00 0.00 ATOM 914 CD1 LEU 124 -0.013 23.651 17.287 1.00 0.00 ATOM 915 CD2 LEU 124 1.233 23.373 15.179 1.00 0.00 ATOM 916 O LEU 124 -2.668 26.720 13.788 1.00 0.00 ATOM 917 C LEU 124 -1.841 25.964 13.261 1.00 0.00 ATOM 918 N ALA 125 -2.044 25.413 12.051 1.00 0.00 ATOM 919 CA ALA 125 -3.290 25.652 11.313 1.00 0.00 ATOM 920 CB ALA 125 -3.199 25.062 9.914 1.00 0.00 ATOM 921 O ALA 125 -4.169 23.910 12.691 1.00 0.00 ATOM 922 C ALA 125 -4.397 24.971 12.114 1.00 0.00 ATOM 923 N ASP 126 -5.585 25.565 12.155 1.00 0.00 ATOM 924 CA ASP 126 -6.678 24.945 12.902 1.00 0.00 ATOM 925 CB ASP 126 -7.878 25.890 12.979 1.00 0.00 ATOM 926 CG ASP 126 -8.923 25.426 13.975 1.00 0.00 ATOM 927 OD1 ASP 126 -8.630 24.490 14.749 1.00 0.00 ATOM 928 OD2 ASP 126 -10.033 25.998 13.982 1.00 0.00 ATOM 929 O ASP 126 -7.715 22.766 12.836 1.00 0.00 ATOM 930 C ASP 126 -7.117 23.645 12.210 1.00 0.00 ATOM 931 N PHE 127 -5.102 21.357 10.961 1.00 0.00 ATOM 932 CA PHE 127 -4.056 20.337 10.991 1.00 0.00 ATOM 933 CB PHE 127 -2.673 20.990 11.036 1.00 0.00 ATOM 934 CG PHE 127 -1.537 20.007 11.013 1.00 0.00 ATOM 935 CD1 PHE 127 -1.144 19.409 9.828 1.00 0.00 ATOM 936 CD2 PHE 127 -0.863 19.680 12.177 1.00 0.00 ATOM 937 CE1 PHE 127 -0.099 18.505 9.808 1.00 0.00 ATOM 938 CE2 PHE 127 0.182 18.776 12.156 1.00 0.00 ATOM 939 CZ PHE 127 0.565 18.189 10.978 1.00 0.00 ATOM 940 O PHE 127 -4.521 20.028 13.333 1.00 0.00 ATOM 941 C PHE 127 -4.279 19.496 12.245 1.00 0.00 ATOM 942 N ARG 128 -4.230 18.179 12.097 1.00 0.00 ATOM 943 CA ARG 128 -4.444 17.329 13.247 1.00 0.00 ATOM 944 CB ARG 128 -5.939 17.070 13.452 1.00 0.00 ATOM 945 CG ARG 128 -6.598 16.308 12.315 1.00 0.00 ATOM 946 CD ARG 128 -8.100 16.197 12.521 1.00 0.00 ATOM 947 NE ARG 128 -8.767 17.491 12.387 1.00 0.00 ATOM 948 CZ ARG 128 -10.051 17.700 12.657 1.00 0.00 ATOM 949 NH1 ARG 128 -10.573 18.909 12.504 1.00 0.00 ATOM 950 NH2 ARG 128 -10.811 16.698 13.079 1.00 0.00 ATOM 951 O ARG 128 -2.917 15.785 12.248 1.00 0.00 ATOM 952 C ARG 128 -3.769 15.983 13.109 1.00 0.00 ATOM 953 N ILE 129 -4.164 15.053 13.964 1.00 0.00 ATOM 954 CA ILE 129 -3.573 13.734 13.930 1.00 0.00 ATOM 955 CB ILE 129 -2.304 13.661 14.799 1.00 0.00 ATOM 956 CG1 ILE 129 -1.547 12.359 14.530 1.00 0.00 ATOM 957 CG2 ILE 129 -2.666 13.713 16.276 1.00 0.00 ATOM 958 CD1 ILE 129 -0.128 12.359 15.053 1.00 0.00 ATOM 959 O ILE 129 -5.526 12.929 15.102 1.00 0.00 ATOM 960 C ILE 129 -4.509 12.658 14.438 1.00 0.00 ATOM 961 N PHE 130 -4.165 11.421 14.110 1.00 0.00 ATOM 962 CA PHE 130 -4.961 10.286 14.534 1.00 0.00 ATOM 963 CB PHE 130 -5.716 9.686 13.345 1.00 0.00 ATOM 964 CG PHE 130 -6.693 10.632 12.709 1.00 0.00 ATOM 965 CD1 PHE 130 -6.317 11.423 11.638 1.00 0.00 ATOM 966 CD2 PHE 130 -7.990 10.730 13.182 1.00 0.00 ATOM 967 CE1 PHE 130 -7.217 12.293 11.052 1.00 0.00 ATOM 968 CE2 PHE 130 -8.891 11.600 12.596 1.00 0.00 ATOM 969 CZ PHE 130 -8.508 12.380 11.536 1.00 0.00 ATOM 970 O PHE 130 -2.937 9.045 14.680 1.00 0.00 ATOM 971 C PHE 130 -4.061 9.222 15.127 1.00 0.00 ATOM 972 N GLN 131 -4.577 8.537 16.144 1.00 0.00 ATOM 973 CA GLN 131 -3.874 7.425 16.762 1.00 0.00 ATOM 974 CB GLN 131 -3.751 7.642 18.272 1.00 0.00 ATOM 975 CG GLN 131 -2.858 8.809 18.662 1.00 0.00 ATOM 976 CD GLN 131 -3.567 10.144 18.561 1.00 0.00 ATOM 977 OE1 GLN 131 -4.780 10.230 18.753 1.00 0.00 ATOM 978 NE2 GLN 131 -2.811 11.193 18.259 1.00 0.00 ATOM 979 O GLN 131 -5.907 6.170 16.769 1.00 0.00 ATOM 980 C GLN 131 -4.717 6.205 16.451 1.00 0.00 ATOM 981 N LEU 132 -4.110 5.206 15.822 1.00 0.00 ATOM 982 CA LEU 132 -4.818 3.972 15.466 1.00 0.00 ATOM 983 CB LEU 132 -4.351 3.460 14.102 1.00 0.00 ATOM 984 CG LEU 132 -4.570 4.399 12.914 1.00 0.00 ATOM 985 CD1 LEU 132 -4.003 3.794 11.639 1.00 0.00 ATOM 986 CD2 LEU 132 -6.053 4.657 12.699 1.00 0.00 ATOM 987 O LEU 132 -3.377 2.526 16.743 1.00 0.00 ATOM 988 C LEU 132 -4.532 2.904 16.529 1.00 0.00 ATOM 989 N THR 133 -5.583 2.411 17.178 1.00 0.00 ATOM 990 CA THR 133 -5.419 1.411 18.227 1.00 0.00 ATOM 991 CB THR 133 -6.749 1.125 18.949 1.00 0.00 ATOM 992 CG2 THR 133 -7.311 2.402 19.556 1.00 0.00 ATOM 993 OG1 THR 133 -7.700 0.600 18.014 1.00 0.00 ATOM 994 O THR 133 -5.056 -0.155 16.445 1.00 0.00 ATOM 995 C THR 133 -4.916 0.101 17.648 1.00 0.00 ATOM 996 N PRO 134 -4.315 -0.720 18.508 1.00 0.00 ATOM 997 CA PRO 134 -3.762 -2.000 18.088 1.00 0.00 ATOM 998 CB PRO 134 -2.446 -2.109 18.861 1.00 0.00 ATOM 999 CG PRO 134 -2.681 -1.325 20.108 1.00 0.00 ATOM 1000 CD PRO 134 -3.603 -0.199 19.726 1.00 0.00 ATOM 1001 O PRO 134 -4.500 -3.843 19.436 1.00 0.00 ATOM 1002 C PRO 134 -4.680 -3.173 18.415 1.00 0.00 ATOM 1003 N LYS 135 -5.658 -3.438 17.555 1.00 0.00 ATOM 1004 CA LYS 135 -6.571 -4.551 17.784 1.00 0.00 ATOM 1005 CB LYS 135 -7.914 -4.291 17.099 1.00 0.00 ATOM 1006 CG LYS 135 -8.695 -3.126 17.685 1.00 0.00 ATOM 1007 CD LYS 135 -10.043 -2.966 17.000 1.00 0.00 ATOM 1008 CE LYS 135 -10.825 -1.800 17.585 1.00 0.00 ATOM 1009 NZ LYS 135 -12.087 -1.548 16.839 1.00 0.00 ATOM 1010 O LYS 135 -6.153 -6.926 17.809 1.00 0.00 ATOM 1011 C LYS 135 -5.987 -5.845 17.227 1.00 0.00 ATOM 1012 N GLU 136 -5.306 -5.731 16.094 1.00 0.00 ATOM 1013 CA GLU 136 -4.669 -6.884 15.471 1.00 0.00 ATOM 1014 CB GLU 136 -5.602 -7.517 14.437 1.00 0.00 ATOM 1015 CG GLU 136 -5.048 -8.777 13.790 1.00 0.00 ATOM 1016 CD GLU 136 -6.017 -9.402 12.808 1.00 0.00 ATOM 1017 OE1 GLU 136 -7.139 -8.871 12.661 1.00 0.00 ATOM 1018 OE2 GLU 136 -5.657 -10.422 12.185 1.00 0.00 ATOM 1019 O GLU 136 -3.357 -5.325 14.193 1.00 0.00 ATOM 1020 C GLU 136 -3.399 -6.411 14.792 1.00 0.00 ATOM 1021 N GLY 137 -2.354 -7.216 14.897 1.00 0.00 ATOM 1022 CA GLY 137 -1.111 -6.903 14.215 1.00 0.00 ATOM 1023 O GLY 137 -0.494 -9.216 14.223 1.00 0.00 ATOM 1024 C GLY 137 -0.684 -8.200 13.553 1.00 0.00 ATOM 1025 N ARG 138 -0.552 -8.163 12.235 1.00 0.00 ATOM 1026 CA ARG 138 -0.179 -9.337 11.466 1.00 0.00 ATOM 1027 CB ARG 138 -1.217 -9.618 10.378 1.00 0.00 ATOM 1028 CG ARG 138 -0.898 -10.824 9.511 1.00 0.00 ATOM 1029 CD ARG 138 -1.992 -11.073 8.485 1.00 0.00 ATOM 1030 NE ARG 138 -1.672 -12.194 7.605 1.00 0.00 ATOM 1031 CZ ARG 138 -2.494 -12.672 6.676 1.00 0.00 ATOM 1032 NH1 ARG 138 -2.117 -13.695 5.921 1.00 0.00 ATOM 1033 NH2 ARG 138 -3.689 -12.125 6.504 1.00 0.00 ATOM 1034 O ARG 138 1.448 -8.121 10.168 1.00 0.00 ATOM 1035 C ARG 138 1.171 -9.160 10.784 1.00 0.00 ATOM 1036 N PHE 139 2.011 -10.182 10.911 1.00 0.00 ATOM 1037 CA PHE 139 3.337 -10.175 10.312 1.00 0.00 ATOM 1038 CB PHE 139 4.401 -10.495 11.364 1.00 0.00 ATOM 1039 CG PHE 139 4.544 -9.439 12.423 1.00 0.00 ATOM 1040 CD1 PHE 139 3.824 -9.518 13.601 1.00 0.00 ATOM 1041 CD2 PHE 139 5.400 -8.366 12.240 1.00 0.00 ATOM 1042 CE1 PHE 139 3.956 -8.548 14.576 1.00 0.00 ATOM 1043 CE2 PHE 139 5.532 -7.395 13.214 1.00 0.00 ATOM 1044 CZ PHE 139 4.814 -7.482 14.378 1.00 0.00 ATOM 1045 O PHE 139 2.912 -12.330 9.340 1.00 0.00 ATOM 1046 C PHE 139 3.423 -11.218 9.201 1.00 0.00 ATOM 1047 N VAL 140 4.080 -10.855 8.108 1.00 0.00 ATOM 1048 CA VAL 140 4.258 -11.749 6.973 1.00 0.00 ATOM 1049 CB VAL 140 3.429 -11.291 5.758 1.00 0.00 ATOM 1050 CG1 VAL 140 3.658 -12.219 4.576 1.00 0.00 ATOM 1051 CG2 VAL 140 1.945 -11.295 6.093 1.00 0.00 ATOM 1052 O VAL 140 6.340 -10.640 6.578 1.00 0.00 ATOM 1053 C VAL 140 5.744 -11.718 6.638 1.00 0.00 ATOM 1054 N ILE 141 6.352 -12.886 6.459 1.00 0.00 ATOM 1055 CA ILE 141 7.761 -12.908 6.061 1.00 0.00 ATOM 1056 CB ILE 141 8.686 -13.136 7.269 1.00 0.00 ATOM 1057 CG1 ILE 141 8.514 -12.012 8.293 1.00 0.00 ATOM 1058 CG2 ILE 141 10.142 -13.167 6.828 1.00 0.00 ATOM 1059 CD1 ILE 141 9.263 -12.245 9.587 1.00 0.00 ATOM 1060 O ILE 141 7.577 -15.176 5.288 1.00 0.00 ATOM 1061 C ILE 141 7.987 -14.035 5.059 1.00 0.00 ATOM 1062 N GLY 142 8.631 -13.700 3.945 1.00 0.00 ATOM 1063 CA GLY 142 8.900 -14.679 2.907 1.00 0.00 ATOM 1064 O GLY 142 10.374 -15.876 4.350 1.00 0.00 ATOM 1065 C GLY 142 9.509 -15.935 3.477 1.00 0.00 ATOM 1066 N PHE 143 9.054 -17.081 2.988 1.00 0.00 ATOM 1067 CA PHE 143 9.572 -18.332 3.496 1.00 0.00 ATOM 1068 CB PHE 143 8.461 -19.137 4.171 1.00 0.00 ATOM 1069 CG PHE 143 7.826 -18.435 5.337 1.00 0.00 ATOM 1070 CD1 PHE 143 6.638 -17.741 5.183 1.00 0.00 ATOM 1071 CD2 PHE 143 8.416 -18.468 6.589 1.00 0.00 ATOM 1072 CE1 PHE 143 6.054 -17.094 6.255 1.00 0.00 ATOM 1073 CE2 PHE 143 7.832 -17.822 7.662 1.00 0.00 ATOM 1074 CZ PHE 143 6.655 -17.138 7.500 1.00 0.00 ATOM 1075 O PHE 143 9.980 -19.062 1.239 1.00 0.00 ATOM 1076 C PHE 143 10.175 -19.241 2.446 1.00 0.00 TER END