PFRMAT TS TARGET T0197 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 strand pairings and 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 For T0197, the sam-t2k and sam-t04 multiple alignments resulted in METHOD different secondary structure predictions. We preferred the sam-t04 METHOD predictions, which resulted in 8 strands. These eight strands cried METHOD out to be arranged into a barrel, and two of our top three METHOD fold-recognition hits were for barrels (SCOP domain d.63.1, METHOD exemplified by 1d8hiA and 1d8iA, SCOP domian b.60.1 exemplified by METHOD 1gm6A and 1ew3A) and the other formed a half-barrel (d.32.1 METHOD exemplified by 1cjxA and 1ewjA). METHOD METHOD None of the automatically generated alignments were full-length, METHOD generally getting only 3 or 4 strands in a sheet. We did not like the METHOD all-antiparallel barrel of b.60.1, thinking that the helices implied METHOD some parallel strands, and tried creating an ab-initio model that METHOD had parallel connections for strand-helix-strand connections, and METHOD antiparallel for strand-strand connections, but keeping an METHOD s1-s2-s3-s4-s5-s6-s7-s8 order around the barrel. This failed, though METHOD not spectacularly. One of the attempts is reported as model 3. METHOD METHOD Noticing that the attempt to form the barrel resulted in a cluster of METHOD charged residues in the center of the barrel, we tried finding an METHOD alignment to d.63.1, which also has such a cluster. This involved METHOD building an ab initio model with a guess at the strand pairing, doing METHOD a structural alignment to 1d8iA, then modifying the alignment to flip METHOD over strands that appeared to be facing the wrong way. We tried also METHOD putting in some bulges, but this may have been a mistake. METHOD METHOD Had we not been overwhelmed by too many targets for CASP6, we could METHOD probably have produced a more convincing model for this target, but METHOD time pressure forced us to stop well before we were done. METHOD Model 5 is based on doing side-chain replacement on the hand-alignment METHOD to 1d8iA. This was the basis for later attempts at a full model based METHOD on SCOP domain d.63.1. REMARK 6 REMARK 6 T0197 model 5 Fri Jul 2 11:46:49 2004 MODEL 5 PARENT 1d8i_A ATOM 2 N GLY 8 -0.927 18.423 -12.112 1.00 0.00 ATOM 3 CA GLY 8 -1.855 17.475 -11.571 1.00 0.00 ATOM 4 O GLY 8 -1.793 15.429 -10.159 1.00 0.00 ATOM 5 C GLY 8 -1.211 16.349 -10.738 1.00 0.00 ATOM 6 N SER 9 0.095 16.531 -10.556 1.00 0.00 ATOM 7 CA SER 9 0.944 15.685 -9.749 1.00 0.00 ATOM 8 CB SER 9 2.417 16.027 -9.979 1.00 0.00 ATOM 9 OG SER 9 3.258 15.246 -9.148 1.00 0.00 ATOM 10 O SER 9 0.474 16.864 -7.639 1.00 0.00 ATOM 11 C SER 9 0.664 15.840 -8.242 1.00 0.00 ATOM 12 N GLU 10 0.499 14.587 -7.729 1.00 0.00 ATOM 13 CA GLU 10 0.477 14.448 -6.250 1.00 0.00 ATOM 14 CB GLU 10 -0.858 13.862 -5.786 1.00 0.00 ATOM 15 CG GLU 10 -2.048 14.781 -6.008 1.00 0.00 ATOM 16 CD GLU 10 -1.969 16.048 -5.179 1.00 0.00 ATOM 17 OE1 GLU 10 -1.599 15.958 -3.991 1.00 0.00 ATOM 18 OE2 GLU 10 -2.276 17.132 -5.720 1.00 0.00 ATOM 19 O GLU 10 1.755 12.400 -6.315 1.00 0.00 ATOM 20 C GLU 10 1.613 13.514 -5.808 1.00 0.00 ATOM 21 N VAL 11 2.512 13.963 -4.967 1.00 0.00 ATOM 22 CA VAL 11 3.645 13.300 -4.439 1.00 0.00 ATOM 23 CB VAL 11 4.930 14.119 -4.657 1.00 0.00 ATOM 24 CG1 VAL 11 6.129 13.399 -4.055 1.00 0.00 ATOM 25 CG2 VAL 11 5.188 14.322 -6.141 1.00 0.00 ATOM 26 O VAL 11 3.383 14.124 -2.187 1.00 0.00 ATOM 27 C VAL 11 3.404 13.110 -2.933 1.00 0.00 ATOM 28 N GLU 12 3.203 11.881 -2.529 1.00 0.00 ATOM 29 CA GLU 12 2.769 11.574 -1.188 1.00 0.00 ATOM 30 CB GLU 12 1.298 11.153 -1.183 1.00 0.00 ATOM 31 CG GLU 12 0.338 12.248 -1.622 1.00 0.00 ATOM 32 CD GLU 12 -1.109 11.799 -1.594 1.00 0.00 ATOM 33 OE1 GLU 12 -1.358 10.616 -1.280 1.00 0.00 ATOM 34 OE2 GLU 12 -1.995 12.630 -1.886 1.00 0.00 ATOM 35 O GLU 12 3.984 9.607 -1.397 1.00 0.00 ATOM 36 C GLU 12 3.606 10.421 -0.597 1.00 0.00 ATOM 37 N ILE 13 3.787 10.406 0.697 1.00 0.00 ATOM 38 CA ILE 13 4.333 9.305 1.461 1.00 0.00 ATOM 39 CB ILE 13 5.513 9.759 2.340 1.00 0.00 ATOM 40 CG1 ILE 13 6.641 10.320 1.471 1.00 0.00 ATOM 41 CG2 ILE 13 6.060 8.590 3.144 1.00 0.00 ATOM 42 CD1 ILE 13 7.748 10.983 2.262 1.00 0.00 ATOM 43 O ILE 13 2.561 9.331 3.136 1.00 0.00 ATOM 44 C ILE 13 3.317 8.665 2.399 1.00 0.00 ATOM 45 N LYS 14 3.045 7.359 2.235 1.00 0.00 ATOM 46 CA LYS 14 2.016 6.723 3.079 1.00 0.00 ATOM 47 CB LYS 14 0.908 6.125 2.211 1.00 0.00 ATOM 48 CG LYS 14 0.087 7.155 1.453 1.00 0.00 ATOM 49 CD LYS 14 -1.020 6.495 0.646 1.00 0.00 ATOM 50 CE LYS 14 -1.840 7.526 -0.111 1.00 0.00 ATOM 51 NZ LYS 14 -2.935 6.895 -0.899 1.00 0.00 ATOM 52 O LYS 14 3.546 4.995 3.413 1.00 0.00 ATOM 53 C LYS 14 2.620 5.595 3.930 1.00 0.00 ATOM 54 N PHE 15 2.226 5.454 5.179 1.00 0.00 ATOM 55 CA PHE 15 2.746 4.463 6.068 1.00 0.00 ATOM 56 CB PHE 15 2.645 4.939 7.519 1.00 0.00 ATOM 57 CG PHE 15 3.568 6.076 7.850 1.00 0.00 ATOM 58 CD1 PHE 15 3.108 7.382 7.855 1.00 0.00 ATOM 59 CD2 PHE 15 4.897 5.842 8.156 1.00 0.00 ATOM 60 CE1 PHE 15 3.957 8.427 8.159 1.00 0.00 ATOM 61 CE2 PHE 15 5.747 6.888 8.461 1.00 0.00 ATOM 62 CZ PHE 15 5.282 8.177 8.463 1.00 0.00 ATOM 63 O PHE 15 0.808 3.161 5.954 1.00 0.00 ATOM 64 C PHE 15 2.040 3.124 6.014 1.00 0.00 ATOM 65 N LYS 16 2.753 2.033 6.185 1.00 0.00 ATOM 66 CA LYS 16 1.974 0.725 6.314 1.00 0.00 ATOM 67 CB LYS 16 0.973 0.582 5.166 1.00 0.00 ATOM 68 CG LYS 16 0.105 -0.663 5.251 1.00 0.00 ATOM 69 CD LYS 16 -0.912 -0.705 4.122 1.00 0.00 ATOM 70 CE LYS 16 -1.773 -1.956 4.200 1.00 0.00 ATOM 71 NZ LYS 16 -2.775 -2.010 3.101 1.00 0.00 ATOM 72 O LYS 16 4.153 -0.089 6.656 1.00 0.00 ATOM 73 C LYS 16 3.014 -0.390 6.265 1.00 0.00 ATOM 74 N ILE 17 2.800 -1.578 5.831 1.00 0.00 ATOM 75 CA ILE 17 3.868 -2.558 5.885 1.00 0.00 ATOM 76 CB ILE 17 3.538 -3.699 6.864 1.00 0.00 ATOM 77 CG1 ILE 17 3.360 -3.153 8.282 1.00 0.00 ATOM 78 CG2 ILE 17 4.659 -4.727 6.881 1.00 0.00 ATOM 79 CD1 ILE 17 2.813 -4.166 9.263 1.00 0.00 ATOM 80 O ILE 17 3.089 -3.332 3.772 1.00 0.00 ATOM 81 C ILE 17 4.089 -3.157 4.523 1.00 0.00 ATOM 82 N LYS 18 5.352 -3.345 4.128 1.00 0.00 ATOM 83 CA LYS 18 5.592 -3.940 2.819 1.00 0.00 ATOM 84 CB LYS 18 7.004 -3.610 2.331 1.00 0.00 ATOM 85 CG LYS 18 7.241 -2.131 2.072 1.00 0.00 ATOM 86 CD LYS 18 8.618 -1.889 1.475 1.00 0.00 ATOM 87 CE LYS 18 8.859 -0.411 1.223 1.00 0.00 ATOM 88 NZ LYS 18 10.214 -0.156 0.663 1.00 0.00 ATOM 89 O LYS 18 6.096 -6.155 3.732 1.00 0.00 ATOM 90 C LYS 18 5.429 -5.450 2.974 1.00 0.00 ATOM 94 N GLU 38 -10.012 20.242 9.230 1.00 0.00 ATOM 95 CA GLU 38 -10.752 19.026 9.482 1.00 0.00 ATOM 96 CB GLU 38 -11.528 19.132 10.796 1.00 0.00 ATOM 97 CG GLU 38 -12.262 17.861 11.189 1.00 0.00 ATOM 98 CD GLU 38 -12.974 17.987 12.521 1.00 0.00 ATOM 99 OE1 GLU 38 -12.869 19.059 13.152 1.00 0.00 ATOM 100 OE2 GLU 38 -13.639 17.013 12.934 1.00 0.00 ATOM 101 O GLU 38 -12.313 19.739 7.878 1.00 0.00 ATOM 102 C GLU 38 -11.738 18.762 8.368 1.00 0.00 ATOM 103 N GLN 39 -11.898 17.564 7.803 1.00 0.00 ATOM 104 CA GLN 39 -12.860 17.376 6.712 1.00 0.00 ATOM 105 CB GLN 39 -12.210 17.694 5.365 1.00 0.00 ATOM 106 CG GLN 39 -11.066 16.765 4.992 1.00 0.00 ATOM 107 CD GLN 39 -10.452 17.105 3.649 1.00 0.00 ATOM 108 OE1 GLN 39 -10.856 18.069 2.997 1.00 0.00 ATOM 109 NE2 GLN 39 -9.473 16.313 3.229 1.00 0.00 ATOM 110 O GLN 39 -12.788 15.050 7.208 1.00 0.00 ATOM 111 C GLN 39 -13.383 15.968 6.633 1.00 0.00 ATOM 112 N GLU 40 -14.551 15.766 6.070 1.00 0.00 ATOM 113 CA GLU 40 -15.245 14.501 5.997 1.00 0.00 ATOM 114 CB GLU 40 -16.338 14.428 7.065 1.00 0.00 ATOM 115 CG GLU 40 -17.118 13.122 7.068 1.00 0.00 ATOM 116 CD GLU 40 -18.097 13.030 8.221 1.00 0.00 ATOM 117 OE1 GLU 40 -18.107 13.949 9.066 1.00 0.00 ATOM 118 OE2 GLU 40 -18.854 12.038 8.279 1.00 0.00 ATOM 119 O GLU 40 -16.347 15.499 4.127 1.00 0.00 ATOM 120 C GLU 40 -15.829 14.475 4.602 1.00 0.00 ATOM 121 N ASP 41 -15.379 13.518 3.819 1.00 0.00 ATOM 122 CA ASP 41 -15.694 13.450 2.411 1.00 0.00 ATOM 123 CB ASP 41 -14.501 13.914 1.572 1.00 0.00 ATOM 124 CG ASP 41 -14.240 15.401 1.704 1.00 0.00 ATOM 125 OD1 ASP 41 -15.074 16.196 1.219 1.00 0.00 ATOM 126 OD2 ASP 41 -13.203 15.773 2.291 1.00 0.00 ATOM 127 O ASP 41 -15.739 11.120 2.863 1.00 0.00 ATOM 128 C ASP 41 -16.025 12.004 2.084 1.00 0.00 ATOM 129 N VAL 42 -16.760 11.760 1.031 1.00 0.00 ATOM 130 CA VAL 42 -17.169 10.445 0.579 1.00 0.00 ATOM 131 CB VAL 42 -18.702 10.300 0.578 1.00 0.00 ATOM 132 CG1 VAL 42 -19.108 8.926 0.065 1.00 0.00 ATOM 133 CG2 VAL 42 -19.254 10.470 1.985 1.00 0.00 ATOM 134 O VAL 42 -16.825 11.418 -1.489 1.00 0.00 ATOM 135 C VAL 42 -16.577 10.408 -0.833 1.00 0.00 ATOM 136 N TYR 43 -15.695 9.492 -1.127 1.00 0.00 ATOM 137 CA TYR 43 -15.186 9.433 -2.500 1.00 0.00 ATOM 138 CB TYR 43 -13.666 9.261 -2.502 1.00 0.00 ATOM 139 CG TYR 43 -12.912 10.470 -1.995 1.00 0.00 ATOM 140 CD1 TYR 43 -12.568 10.583 -0.654 1.00 0.00 ATOM 141 CD2 TYR 43 -12.548 11.495 -2.859 1.00 0.00 ATOM 142 CE1 TYR 43 -11.880 11.684 -0.182 1.00 0.00 ATOM 143 CE2 TYR 43 -11.859 12.603 -2.404 1.00 0.00 ATOM 144 CZ TYR 43 -11.526 12.691 -1.053 1.00 0.00 ATOM 145 OH TYR 43 -10.841 13.789 -0.585 1.00 0.00 ATOM 146 O TYR 43 -15.909 7.118 -2.572 1.00 0.00 ATOM 147 C TYR 43 -15.877 8.211 -3.161 1.00 0.00 ATOM 148 N PHE 44 -16.500 8.388 -4.293 1.00 0.00 ATOM 149 CA PHE 44 -17.143 7.289 -5.008 1.00 0.00 ATOM 150 CB PHE 44 -18.634 7.573 -5.197 1.00 0.00 ATOM 151 CG PHE 44 -19.406 7.647 -3.910 1.00 0.00 ATOM 152 CD1 PHE 44 -19.586 8.856 -3.263 1.00 0.00 ATOM 153 CD2 PHE 44 -19.951 6.507 -3.347 1.00 0.00 ATOM 154 CE1 PHE 44 -20.295 8.925 -2.079 1.00 0.00 ATOM 155 CE2 PHE 44 -20.661 6.574 -2.164 1.00 0.00 ATOM 156 CZ PHE 44 -20.834 7.776 -1.530 1.00 0.00 ATOM 157 O PHE 44 -16.131 8.082 -7.015 1.00 0.00 ATOM 158 C PHE 44 -16.493 7.125 -6.374 1.00 0.00 ATOM 159 N GLU 45 -16.075 5.948 -6.661 1.00 0.00 ATOM 160 CA GLU 45 -15.460 5.553 -7.930 1.00 0.00 ATOM 161 CB GLU 45 -14.411 4.463 -7.702 1.00 0.00 ATOM 162 CG GLU 45 -13.238 4.902 -6.841 1.00 0.00 ATOM 163 CD GLU 45 -12.324 3.749 -6.472 1.00 0.00 ATOM 164 OE1 GLU 45 -12.634 2.600 -6.850 1.00 0.00 ATOM 165 OE2 GLU 45 -11.298 3.996 -5.804 1.00 0.00 ATOM 166 O GLU 45 -17.261 4.139 -8.588 1.00 0.00 ATOM 167 C GLU 45 -16.475 4.998 -8.947 1.00 0.00 ATOM 171 N LEU 52 -12.382 3.408 -17.853 1.00 0.00 ATOM 172 CA LEU 52 -11.806 4.380 -16.952 1.00 0.00 ATOM 173 CB LEU 52 -11.789 5.767 -17.599 1.00 0.00 ATOM 174 CG LEU 52 -10.883 5.933 -18.821 1.00 0.00 ATOM 175 CD1 LEU 52 -11.061 7.312 -19.438 1.00 0.00 ATOM 176 CD2 LEU 52 -9.422 5.772 -18.432 1.00 0.00 ATOM 177 O LEU 52 -13.777 4.027 -15.610 1.00 0.00 ATOM 178 C LEU 52 -12.623 4.454 -15.665 1.00 0.00 ATOM 179 N ARG 53 -11.959 4.784 -14.569 1.00 0.00 ATOM 180 CA ARG 53 -12.486 4.930 -13.223 1.00 0.00 ATOM 181 CB ARG 53 -11.675 4.088 -12.236 1.00 0.00 ATOM 182 CG ARG 53 -11.743 2.592 -12.496 1.00 0.00 ATOM 183 CD ARG 53 -10.856 1.823 -11.530 1.00 0.00 ATOM 184 NE ARG 53 -10.926 0.381 -11.751 1.00 0.00 ATOM 185 CZ ARG 53 -10.341 -0.524 -10.973 1.00 0.00 ATOM 186 NH1 ARG 53 -10.459 -1.814 -11.253 1.00 0.00 ATOM 187 NH2 ARG 53 -9.640 -0.136 -9.917 1.00 0.00 ATOM 188 O ARG 53 -11.338 6.956 -12.574 1.00 0.00 ATOM 189 C ARG 53 -12.435 6.397 -12.741 1.00 0.00 ATOM 190 N ILE 54 -13.627 6.905 -12.624 1.00 0.00 ATOM 191 CA ILE 54 -13.717 8.334 -12.211 1.00 0.00 ATOM 192 CB ILE 54 -14.776 9.093 -13.032 1.00 0.00 ATOM 193 CG1 ILE 54 -14.392 9.109 -14.513 1.00 0.00 ATOM 194 CG2 ILE 54 -14.894 10.531 -12.550 1.00 0.00 ATOM 195 CD1 ILE 54 -15.496 9.601 -15.424 1.00 0.00 ATOM 196 O ILE 54 -14.928 7.619 -10.208 1.00 0.00 ATOM 197 C ILE 54 -14.104 8.435 -10.721 1.00 0.00 ATOM 198 N ARG 55 -13.382 9.319 -10.048 1.00 0.00 ATOM 199 CA ARG 55 -13.554 9.448 -8.608 1.00 0.00 ATOM 200 CB ARG 55 -12.196 9.441 -7.903 1.00 0.00 ATOM 201 CG ARG 55 -11.731 8.063 -7.466 1.00 0.00 ATOM 202 CD ARG 55 -11.404 7.183 -8.662 1.00 0.00 ATOM 203 NE ARG 55 -10.758 5.935 -8.264 1.00 0.00 ATOM 204 CZ ARG 55 -10.486 4.936 -9.098 1.00 0.00 ATOM 205 NH1 ARG 55 -9.897 3.838 -8.646 1.00 0.00 ATOM 206 NH2 ARG 55 -10.804 5.038 -10.381 1.00 0.00 ATOM 207 O ARG 55 -13.785 11.859 -8.827 1.00 0.00 ATOM 208 C ARG 55 -14.278 10.797 -8.418 1.00 0.00 ATOM 209 N GLY 56 -15.419 10.671 -7.711 1.00 0.00 ATOM 210 CA GLY 56 -16.055 12.015 -7.421 1.00 0.00 ATOM 211 O GLY 56 -16.167 11.185 -5.202 1.00 0.00 ATOM 212 C GLY 56 -16.018 12.165 -5.916 1.00 0.00 ATOM 213 N VAL 57 -15.643 13.304 -5.433 1.00 0.00 ATOM 214 CA VAL 57 -15.514 13.536 -4.002 1.00 0.00 ATOM 215 CB VAL 57 -14.178 14.221 -3.659 1.00 0.00 ATOM 216 CG1 VAL 57 -14.089 14.497 -2.166 1.00 0.00 ATOM 217 CG2 VAL 57 -13.008 13.333 -4.056 1.00 0.00 ATOM 218 O VAL 57 -16.853 15.485 -4.077 1.00 0.00 ATOM 219 C VAL 57 -16.631 14.429 -3.488 1.00 0.00 ATOM 220 N HIS 58 -17.345 14.124 -2.445 1.00 0.00 ATOM 221 CA HIS 58 -18.440 14.882 -1.897 1.00 0.00 ATOM 222 CB HIS 58 -19.736 14.069 -1.953 1.00 0.00 ATOM 223 CG HIS 58 -20.924 14.787 -1.392 1.00 0.00 ATOM 224 CD2 HIS 58 -21.769 14.634 -0.216 1.00 0.00 ATOM 225 ND1 HIS 58 -21.491 15.882 -2.006 1.00 0.00 ATOM 226 CE1 HIS 58 -22.534 16.305 -1.271 1.00 0.00 ATOM 227 NE2 HIS 58 -22.707 15.560 -0.196 1.00 0.00 ATOM 228 O HIS 58 -17.982 14.340 0.370 1.00 0.00 ATOM 229 C HIS 58 -18.173 15.249 -0.451 1.00 0.00 ATOM 230 N ASN 59 -18.327 16.537 -0.163 1.00 0.00 ATOM 231 CA ASN 59 -18.145 16.999 1.233 1.00 0.00 ATOM 232 CB ASN 59 -17.825 18.495 1.265 1.00 0.00 ATOM 233 CG ASN 59 -17.401 18.971 2.641 1.00 0.00 ATOM 234 ND2 ASN 59 -17.594 20.257 2.906 1.00 0.00 ATOM 235 OD1 ASN 59 -16.906 18.189 3.453 1.00 0.00 ATOM 236 O ASN 59 -20.514 16.753 1.397 1.00 0.00 ATOM 237 C ASN 59 -19.433 16.738 1.990 1.00 0.00 ATOM 238 N LEU 60 -21.793 19.039 -1.793 1.00 0.00 ATOM 239 CA LEU 60 -21.352 19.641 -3.015 1.00 0.00 ATOM 240 CB LEU 60 -20.965 21.103 -2.784 1.00 0.00 ATOM 241 CG LEU 60 -20.554 21.900 -4.023 1.00 0.00 ATOM 242 CD1 LEU 60 -21.730 22.058 -4.975 1.00 0.00 ATOM 243 CD2 LEU 60 -20.069 23.288 -3.633 1.00 0.00 ATOM 244 O LEU 60 -19.424 18.267 -2.505 1.00 0.00 ATOM 245 C LEU 60 -20.147 18.749 -3.375 1.00 0.00 ATOM 246 N LYS 61 -20.135 18.385 -4.639 1.00 0.00 ATOM 247 CA LYS 61 -19.011 17.635 -5.178 1.00 0.00 ATOM 248 CB LYS 61 -19.297 17.204 -6.618 1.00 0.00 ATOM 249 CG LYS 61 -20.175 15.969 -6.734 1.00 0.00 ATOM 250 CD LYS 61 -21.599 16.261 -6.291 1.00 0.00 ATOM 251 CE LYS 61 -22.527 15.102 -6.615 1.00 0.00 ATOM 252 NZ LYS 61 -22.187 13.883 -5.829 1.00 0.00 ATOM 253 O LYS 61 -17.710 19.514 -5.871 1.00 0.00 ATOM 254 C LYS 61 -17.757 18.500 -5.166 1.00 0.00 ATOM 255 N LYS 62 -16.747 18.144 -4.388 1.00 0.00 ATOM 256 CA LYS 62 -15.496 18.893 -4.390 1.00 0.00 ATOM 257 CB LYS 62 -14.611 18.461 -3.220 1.00 0.00 ATOM 258 CG LYS 62 -15.147 18.861 -1.854 1.00 0.00 ATOM 259 CD LYS 62 -14.287 18.295 -0.736 1.00 0.00 ATOM 260 CE LYS 62 -12.913 18.943 -0.713 1.00 0.00 ATOM 261 NZ LYS 62 -12.076 18.430 0.406 1.00 0.00 ATOM 262 O LYS 62 -14.927 19.326 -6.693 1.00 0.00 ATOM 263 C LYS 62 -14.753 18.633 -5.698 1.00 0.00 ATOM 264 N TYR 63 -14.072 17.502 -5.766 1.00 0.00 ATOM 265 CA TYR 63 -13.270 17.058 -6.889 1.00 0.00 ATOM 266 CB TYR 63 -11.953 16.453 -6.401 1.00 0.00 ATOM 267 CG TYR 63 -11.006 17.460 -5.789 1.00 0.00 ATOM 268 CD1 TYR 63 -10.988 17.677 -4.417 1.00 0.00 ATOM 269 CD2 TYR 63 -10.134 18.192 -6.584 1.00 0.00 ATOM 270 CE1 TYR 63 -10.126 18.596 -3.848 1.00 0.00 ATOM 271 CE2 TYR 63 -9.265 19.115 -6.033 1.00 0.00 ATOM 272 CZ TYR 63 -9.267 19.313 -4.653 1.00 0.00 ATOM 273 OH TYR 63 -8.408 20.228 -4.089 1.00 0.00 ATOM 274 O TYR 63 -14.437 14.993 -7.241 1.00 0.00 ATOM 275 C TYR 63 -13.933 15.998 -7.753 1.00 0.00 ATOM 276 N TYR 64 -13.711 16.087 -9.079 1.00 0.00 ATOM 277 CA TYR 64 -14.173 15.054 -10.001 1.00 0.00 ATOM 278 CB TYR 64 -15.303 15.589 -10.882 1.00 0.00 ATOM 279 CG TYR 64 -15.918 14.547 -11.790 1.00 0.00 ATOM 280 CD1 TYR 64 -16.866 13.654 -11.307 1.00 0.00 ATOM 281 CD2 TYR 64 -15.549 14.461 -13.126 1.00 0.00 ATOM 282 CE1 TYR 64 -17.434 12.699 -12.129 1.00 0.00 ATOM 283 CE2 TYR 64 -16.107 13.512 -13.963 1.00 0.00 ATOM 284 CZ TYR 64 -17.056 12.627 -13.452 1.00 0.00 ATOM 285 OH TYR 64 -17.619 11.678 -14.272 1.00 0.00 ATOM 286 O TYR 64 -12.612 15.426 -11.752 1.00 0.00 ATOM 287 C TYR 64 -13.003 14.613 -10.898 1.00 0.00 ATOM 288 N LEU 65 -12.363 13.456 -10.647 1.00 0.00 ATOM 289 CA LEU 65 -11.120 13.257 -11.377 1.00 0.00 ATOM 290 CB LEU 65 -9.922 13.667 -10.518 1.00 0.00 ATOM 291 CG LEU 65 -9.869 15.134 -10.085 1.00 0.00 ATOM 292 CD1 LEU 65 -8.812 15.339 -9.011 1.00 0.00 ATOM 293 CD2 LEU 65 -9.528 16.030 -11.265 1.00 0.00 ATOM 294 O LEU 65 -11.491 10.875 -11.304 1.00 0.00 ATOM 295 C LEU 65 -10.872 11.819 -11.805 1.00 0.00 ATOM 296 N THR 66 -9.871 11.734 -12.735 1.00 0.00 ATOM 297 CA THR 66 -9.357 10.396 -13.002 1.00 0.00 ATOM 298 CB THR 66 -9.236 10.130 -14.513 1.00 0.00 ATOM 299 CG2 THR 66 -8.682 8.736 -14.766 1.00 0.00 ATOM 300 OG1 THR 66 -10.528 10.233 -15.126 1.00 0.00 ATOM 301 O THR 66 -7.033 11.063 -12.612 1.00 0.00 ATOM 302 C THR 66 -7.977 10.310 -12.350 1.00 0.00 ATOM 303 N PHE 67 -7.830 9.418 -11.401 1.00 0.00 ATOM 304 CA PHE 67 -6.548 9.238 -10.713 1.00 0.00 ATOM 305 CB PHE 67 -6.771 8.726 -9.289 1.00 0.00 ATOM 306 CG PHE 67 -7.401 9.737 -8.373 1.00 0.00 ATOM 307 CD1 PHE 67 -8.772 9.766 -8.189 1.00 0.00 ATOM 308 CD2 PHE 67 -6.621 10.658 -7.695 1.00 0.00 ATOM 309 CE1 PHE 67 -9.351 10.696 -7.347 1.00 0.00 ATOM 310 CE2 PHE 67 -7.201 11.588 -6.853 1.00 0.00 ATOM 311 CZ PHE 67 -8.560 11.609 -6.677 1.00 0.00 ATOM 312 O PHE 67 -6.174 7.130 -11.733 1.00 0.00 ATOM 313 C PHE 67 -5.693 8.242 -11.452 1.00 0.00 ATOM 314 N LYS 68 -4.520 8.494 -11.891 1.00 0.00 ATOM 315 CA LYS 68 -3.581 7.624 -12.546 1.00 0.00 ATOM 316 CB LYS 68 -3.232 8.161 -13.936 1.00 0.00 ATOM 317 CG LYS 68 -4.407 8.198 -14.899 1.00 0.00 ATOM 318 CD LYS 68 -3.978 8.680 -16.276 1.00 0.00 ATOM 319 CE LYS 68 -5.155 8.731 -17.235 1.00 0.00 ATOM 320 NZ LYS 68 -4.734 9.117 -18.610 1.00 0.00 ATOM 321 O LYS 68 -1.880 8.569 -11.077 1.00 0.00 ATOM 322 C LYS 68 -2.321 7.573 -11.668 1.00 0.00 ATOM 323 N GLU 69 -1.970 6.367 -11.276 1.00 0.00 ATOM 324 CA GLU 69 -0.794 5.907 -10.593 1.00 0.00 ATOM 325 CB GLU 69 -0.974 4.460 -10.129 1.00 0.00 ATOM 326 CG GLU 69 0.172 3.932 -9.283 1.00 0.00 ATOM 327 CD GLU 69 -0.054 2.506 -8.820 1.00 0.00 ATOM 328 OE1 GLU 69 -1.136 1.953 -9.110 1.00 0.00 ATOM 329 OE2 GLU 69 0.850 1.943 -8.167 1.00 0.00 ATOM 330 O GLU 69 0.285 5.356 -12.586 1.00 0.00 ATOM 331 C GLU 69 0.380 5.987 -11.550 1.00 0.00 ATOM 332 N ILE 70 1.438 6.723 -11.374 1.00 0.00 ATOM 333 CA ILE 70 2.521 6.791 -12.361 1.00 0.00 ATOM 334 CB ILE 70 2.989 8.241 -12.586 1.00 0.00 ATOM 335 CG1 ILE 70 1.823 9.111 -13.058 1.00 0.00 ATOM 336 CG2 ILE 70 4.084 8.289 -13.641 1.00 0.00 ATOM 337 CD1 ILE 70 1.190 8.637 -14.349 1.00 0.00 ATOM 338 O ILE 70 4.085 5.043 -12.476 1.00 0.00 ATOM 339 C ILE 70 3.656 5.944 -11.778 1.00 0.00 ATOM 340 N LEU 71 3.896 6.106 -10.448 1.00 0.00 ATOM 341 CA LEU 71 5.081 5.277 -10.005 1.00 0.00 ATOM 342 CB LEU 71 6.390 5.935 -10.448 1.00 0.00 ATOM 343 CG LEU 71 6.640 7.357 -9.941 1.00 0.00 ATOM 344 CD1 LEU 71 7.237 7.332 -8.542 1.00 0.00 ATOM 345 CD2 LEU 71 7.605 8.093 -10.857 1.00 0.00 ATOM 346 O LEU 71 4.626 6.253 -7.907 1.00 0.00 ATOM 347 C LEU 71 5.014 5.199 -8.499 1.00 0.00 ATOM 348 N ASP 72 5.821 4.350 -7.899 1.00 0.00 ATOM 349 CA ASP 72 5.892 4.223 -6.466 1.00 0.00 ATOM 350 CB ASP 72 4.821 3.254 -5.960 1.00 0.00 ATOM 351 CG ASP 72 4.768 3.182 -4.447 1.00 0.00 ATOM 352 OD1 ASP 72 4.799 4.250 -3.799 1.00 0.00 ATOM 353 OD2 ASP 72 4.696 2.057 -3.908 1.00 0.00 ATOM 354 O ASP 72 7.902 2.996 -6.755 1.00 0.00 ATOM 355 C ASP 72 7.251 3.693 -5.995 1.00 0.00 ATOM 356 N GLU 73 6.613 0.641 10.960 1.00 0.00 ATOM 357 CA GLU 73 5.969 0.704 9.630 1.00 0.00 ATOM 358 CB GLU 73 4.879 1.778 9.612 1.00 0.00 ATOM 359 CG GLU 73 3.660 1.439 10.455 1.00 0.00 ATOM 360 CD GLU 73 2.625 2.546 10.454 1.00 0.00 ATOM 361 OE1 GLU 73 2.885 3.602 9.840 1.00 0.00 ATOM 362 OE2 GLU 73 1.553 2.359 11.069 1.00 0.00 ATOM 363 O GLU 73 7.860 1.932 8.906 1.00 0.00 ATOM 364 C GLU 73 7.029 1.043 8.585 1.00 0.00 ATOM 365 N ASN 74 6.829 0.578 7.409 1.00 0.00 ATOM 366 CA ASN 74 7.449 1.056 6.182 1.00 0.00 ATOM 367 CB ASN 74 7.540 -0.072 5.153 1.00 0.00 ATOM 368 CG ASN 74 8.573 -1.117 5.524 1.00 0.00 ATOM 369 ND2 ASN 74 8.349 -2.351 5.088 1.00 0.00 ATOM 370 OD1 ASN 74 9.561 -0.816 6.194 1.00 0.00 ATOM 371 O ASN 74 5.581 2.735 6.021 1.00 0.00 ATOM 372 C ASN 74 6.634 2.213 5.552 1.00 0.00 ATOM 373 N ASN 75 7.191 2.773 4.467 1.00 0.00 ATOM 374 CA ASN 75 6.623 3.831 3.747 1.00 0.00 ATOM 375 CB ASN 75 7.383 5.131 4.017 1.00 0.00 ATOM 376 CG ASN 75 8.778 5.125 3.421 1.00 0.00 ATOM 377 ND2 ASN 75 9.781 4.927 4.270 1.00 0.00 ATOM 378 OD1 ASN 75 8.949 5.296 2.215 1.00 0.00 ATOM 379 O ASN 75 7.571 3.003 1.662 1.00 0.00 ATOM 380 C ASN 75 6.646 3.597 2.217 1.00 0.00 ATOM 381 N GLU 76 5.465 3.988 1.711 1.00 0.00 ATOM 382 CA GLU 76 5.464 4.045 0.212 1.00 0.00 ATOM 383 CB GLU 76 4.246 3.309 -0.351 1.00 0.00 ATOM 384 CG GLU 76 4.235 1.816 -0.062 1.00 0.00 ATOM 385 CD GLU 76 3.007 1.124 -0.622 1.00 0.00 ATOM 386 OE1 GLU 76 1.882 1.514 -0.247 1.00 0.00 ATOM 387 OE2 GLU 76 3.172 0.191 -1.435 1.00 0.00 ATOM 388 O GLU 76 4.731 6.435 0.354 1.00 0.00 ATOM 389 C GLU 76 5.416 5.509 -0.236 1.00 0.00 ATOM 390 N GLU 77 6.299 5.804 -1.164 1.00 0.00 ATOM 391 CA GLU 77 6.297 7.127 -1.788 1.00 0.00 ATOM 392 CB GLU 77 7.726 7.656 -1.925 1.00 0.00 ATOM 393 CG GLU 77 7.820 9.027 -2.575 1.00 0.00 ATOM 394 CD GLU 77 9.250 9.513 -2.705 1.00 0.00 ATOM 395 OE1 GLU 77 10.168 8.775 -2.290 1.00 0.00 ATOM 396 OE2 GLU 77 9.453 10.631 -3.224 1.00 0.00 ATOM 397 O GLU 77 6.120 6.178 -3.951 1.00 0.00 ATOM 398 C GLU 77 5.659 6.970 -3.166 1.00 0.00 ATOM 399 N PHE 78 4.545 7.677 -3.401 1.00 0.00 ATOM 400 CA PHE 78 3.848 7.609 -4.655 1.00 0.00 ATOM 401 CB PHE 78 2.407 7.140 -4.443 1.00 0.00 ATOM 402 CG PHE 78 2.299 5.742 -3.905 1.00 0.00 ATOM 403 CD1 PHE 78 2.227 5.511 -2.542 1.00 0.00 ATOM 404 CD2 PHE 78 2.267 4.655 -4.763 1.00 0.00 ATOM 405 CE1 PHE 78 2.127 4.225 -2.047 1.00 0.00 ATOM 406 CE2 PHE 78 2.167 3.368 -4.268 1.00 0.00 ATOM 407 CZ PHE 78 2.097 3.151 -2.916 1.00 0.00 ATOM 408 O PHE 78 3.671 10.015 -4.852 1.00 0.00 ATOM 409 C PHE 78 3.747 8.932 -5.426 1.00 0.00 ATOM 410 N TYR 79 3.819 8.779 -6.735 1.00 0.00 ATOM 411 CA TYR 79 3.637 9.940 -7.614 1.00 0.00 ATOM 412 CB TYR 79 4.899 10.188 -8.444 1.00 0.00 ATOM 413 CG TYR 79 6.122 10.509 -7.615 1.00 0.00 ATOM 414 CD1 TYR 79 6.978 9.501 -7.189 1.00 0.00 ATOM 415 CD2 TYR 79 6.418 11.819 -7.264 1.00 0.00 ATOM 416 CE1 TYR 79 8.098 9.785 -6.432 1.00 0.00 ATOM 417 CE2 TYR 79 7.535 12.123 -6.507 1.00 0.00 ATOM 418 CZ TYR 79 8.376 11.091 -6.093 1.00 0.00 ATOM 419 OH TYR 79 9.491 11.378 -5.339 1.00 0.00 ATOM 420 O TYR 79 2.510 8.604 -9.296 1.00 0.00 ATOM 421 C TYR 79 2.437 9.551 -8.504 1.00 0.00 ATOM 422 N GLU 80 1.312 10.184 -8.215 1.00 0.00 ATOM 423 CA GLU 80 0.100 9.986 -8.965 1.00 0.00 ATOM 424 CB GLU 80 -1.064 9.665 -8.026 1.00 0.00 ATOM 425 CG GLU 80 -0.901 8.364 -7.258 1.00 0.00 ATOM 426 CD GLU 80 -2.111 8.037 -6.404 1.00 0.00 ATOM 427 OE1 GLU 80 -3.063 8.845 -6.388 1.00 0.00 ATOM 428 OE2 GLU 80 -2.105 6.972 -5.750 1.00 0.00 ATOM 429 O GLU 80 0.184 12.383 -9.494 1.00 0.00 ATOM 430 C GLU 80 -0.240 11.271 -9.762 1.00 0.00 ATOM 431 N VAL 81 -1.173 11.050 -10.691 1.00 0.00 ATOM 432 CA VAL 81 -1.762 12.181 -11.404 1.00 0.00 ATOM 433 CB VAL 81 -1.685 11.987 -12.930 1.00 0.00 ATOM 434 CG1 VAL 81 -2.348 13.152 -13.648 1.00 0.00 ATOM 435 CG2 VAL 81 -0.236 11.903 -13.385 1.00 0.00 ATOM 436 O VAL 81 -3.949 11.408 -11.055 1.00 0.00 ATOM 437 C VAL 81 -3.231 12.346 -11.026 1.00 0.00 ATOM 438 N GLU 82 -3.717 13.514 -10.659 1.00 0.00 ATOM 439 CA GLU 82 -5.184 13.687 -10.390 1.00 0.00 ATOM 440 CB GLU 82 -5.405 14.342 -9.025 1.00 0.00 ATOM 441 CG GLU 82 -4.902 13.517 -7.852 1.00 0.00 ATOM 442 CD GLU 82 -5.139 14.197 -6.518 1.00 0.00 ATOM 443 OE1 GLU 82 -5.776 15.270 -6.503 1.00 0.00 ATOM 444 OE2 GLU 82 -4.686 13.655 -5.488 1.00 0.00 ATOM 445 O GLU 82 -5.515 15.791 -11.570 1.00 0.00 ATOM 446 C GLU 82 -5.779 14.567 -11.467 1.00 0.00 ATOM 447 N PHE 83 -6.104 13.985 -12.593 1.00 0.00 ATOM 448 CA PHE 83 -6.546 14.652 -13.814 1.00 0.00 ATOM 449 CB PHE 83 -6.310 13.754 -15.030 1.00 0.00 ATOM 450 CG PHE 83 -6.419 14.472 -16.344 1.00 0.00 ATOM 451 CD1 PHE 83 -5.433 15.355 -16.750 1.00 0.00 ATOM 452 CD2 PHE 83 -7.505 14.264 -17.175 1.00 0.00 ATOM 453 CE1 PHE 83 -5.534 16.016 -17.961 1.00 0.00 ATOM 454 CE2 PHE 83 -7.606 14.926 -18.385 1.00 0.00 ATOM 455 CZ PHE 83 -6.626 15.798 -18.778 1.00 0.00 ATOM 456 O PHE 83 -8.853 14.097 -13.673 1.00 0.00 ATOM 457 C PHE 83 -8.019 14.985 -13.762 1.00 0.00 ATOM 458 N GLU 84 -12.974 16.193 -18.003 1.00 0.00 ATOM 459 CA GLU 84 -13.170 17.195 -19.014 1.00 0.00 ATOM 460 CB GLU 84 -12.948 16.602 -20.407 1.00 0.00 ATOM 461 CG GLU 84 -11.511 16.193 -20.686 1.00 0.00 ATOM 462 CD GLU 84 -11.337 15.577 -22.060 1.00 0.00 ATOM 463 OE1 GLU 84 -12.350 15.424 -22.775 1.00 0.00 ATOM 464 OE2 GLU 84 -10.188 15.247 -22.421 1.00 0.00 ATOM 465 O GLU 84 -14.727 19.005 -18.632 1.00 0.00 ATOM 466 C GLU 84 -14.510 17.896 -19.145 1.00 0.00 ATOM 467 N ILE 85 -15.366 17.342 -20.003 1.00 0.00 ATOM 468 CA ILE 85 -16.643 17.928 -20.369 1.00 0.00 ATOM 469 CB ILE 85 -16.834 17.956 -21.897 1.00 0.00 ATOM 470 CG1 ILE 85 -16.838 16.534 -22.460 1.00 0.00 ATOM 471 CG2 ILE 85 -15.707 18.734 -22.560 1.00 0.00 ATOM 472 CD1 ILE 85 -17.245 16.453 -23.914 1.00 0.00 ATOM 473 O ILE 85 -18.979 17.608 -19.838 1.00 0.00 ATOM 474 C ILE 85 -17.829 17.162 -19.792 1.00 0.00 ATOM 475 N GLY 86 -17.560 15.976 -19.268 1.00 0.00 ATOM 476 CA GLY 86 -18.531 15.145 -18.563 1.00 0.00 ATOM 477 O GLY 86 -18.120 16.008 -16.386 1.00 0.00 ATOM 478 C GLY 86 -18.976 15.825 -17.266 1.00 0.00 ATOM 479 N ASP 87 -20.247 16.192 -17.136 1.00 0.00 ATOM 480 CA ASP 87 -20.683 16.863 -15.916 1.00 0.00 ATOM 481 CB ASP 87 -22.072 17.475 -16.107 1.00 0.00 ATOM 482 CG ASP 87 -22.049 18.709 -16.987 1.00 0.00 ATOM 483 OD1 ASP 87 -20.942 19.203 -17.289 1.00 0.00 ATOM 484 OD2 ASP 87 -23.137 19.184 -17.374 1.00 0.00 ATOM 485 O ASP 87 -21.258 14.772 -14.899 1.00 0.00 ATOM 486 C ASP 87 -20.746 15.875 -14.757 1.00 0.00 ATOM 487 N PHE 88 -20.279 16.328 -13.601 1.00 0.00 ATOM 488 CA PHE 88 -20.328 15.528 -12.390 1.00 0.00 ATOM 489 CB PHE 88 -19.591 16.235 -11.251 1.00 0.00 ATOM 490 CG PHE 88 -19.491 15.419 -9.994 1.00 0.00 ATOM 491 CD1 PHE 88 -19.547 14.036 -10.044 1.00 0.00 ATOM 492 CD2 PHE 88 -19.342 16.032 -8.763 1.00 0.00 ATOM 493 CE1 PHE 88 -19.456 13.285 -8.888 1.00 0.00 ATOM 494 CE2 PHE 88 -19.250 15.281 -7.607 1.00 0.00 ATOM 495 CZ PHE 88 -19.306 13.913 -7.666 1.00 0.00 ATOM 496 O PHE 88 -22.278 14.203 -12.255 1.00 0.00 ATOM 497 C PHE 88 -21.748 15.281 -11.936 1.00 0.00 ATOM 498 N GLU 89 -22.447 16.201 -11.280 1.00 0.00 ATOM 499 CA GLU 89 -23.789 15.992 -10.768 1.00 0.00 ATOM 500 CB GLU 89 -24.385 17.311 -10.272 1.00 0.00 ATOM 501 CG GLU 89 -25.771 17.177 -9.663 1.00 0.00 ATOM 502 CD GLU 89 -26.301 18.492 -9.127 1.00 0.00 ATOM 503 OE1 GLU 89 -25.576 19.504 -9.211 1.00 0.00 ATOM 504 OE2 GLU 89 -27.445 18.510 -8.622 1.00 0.00 ATOM 505 O GLU 89 -25.732 14.675 -11.254 1.00 0.00 ATOM 506 C GLU 89 -24.854 15.439 -11.696 1.00 0.00 ATOM 507 N LYS 90 -24.825 15.811 -12.974 1.00 0.00 ATOM 508 CA LYS 90 -25.850 15.375 -13.913 1.00 0.00 ATOM 509 CB LYS 90 -25.795 16.214 -15.192 1.00 0.00 ATOM 510 CG LYS 90 -26.865 15.858 -16.213 1.00 0.00 ATOM 511 CD LYS 90 -26.807 16.784 -17.418 1.00 0.00 ATOM 512 CE LYS 90 -27.854 16.407 -18.454 1.00 0.00 ATOM 513 NZ LYS 90 -27.773 17.271 -19.664 1.00 0.00 ATOM 514 O LYS 90 -26.640 13.146 -14.259 1.00 0.00 ATOM 515 C LYS 90 -25.682 13.918 -14.315 1.00 0.00 ATOM 516 N ALA 91 -24.462 13.567 -14.716 1.00 0.00 ATOM 517 CA ALA 91 -24.235 12.216 -15.196 1.00 0.00 ATOM 518 CB ALA 91 -22.863 12.106 -15.842 1.00 0.00 ATOM 519 O ALA 91 -24.772 10.042 -14.577 1.00 0.00 ATOM 520 C ALA 91 -24.276 11.109 -14.160 1.00 0.00 ATOM 521 N VAL 92 -23.647 11.228 -12.982 1.00 0.00 ATOM 522 CA VAL 92 -23.511 10.053 -12.131 1.00 0.00 ATOM 523 CB VAL 92 -22.040 9.800 -11.750 1.00 0.00 ATOM 524 CG1 VAL 92 -21.213 9.500 -12.990 1.00 0.00 ATOM 525 CG2 VAL 92 -21.451 11.023 -11.063 1.00 0.00 ATOM 526 O VAL 92 -24.098 9.052 -10.129 1.00 0.00 ATOM 527 C VAL 92 -24.240 10.072 -10.811 1.00 0.00 ATOM 528 N GLU 93 -25.128 11.017 -10.539 1.00 0.00 ATOM 529 CA GLU 93 -26.006 10.947 -9.362 1.00 0.00 ATOM 530 CB GLU 93 -26.854 12.216 -9.249 1.00 0.00 ATOM 531 CG GLU 93 -27.720 12.274 -8.003 1.00 0.00 ATOM 532 CD GLU 93 -28.470 13.586 -7.875 1.00 0.00 ATOM 533 OE1 GLU 93 -28.295 14.458 -8.751 1.00 0.00 ATOM 534 OE2 GLU 93 -29.232 13.742 -6.898 1.00 0.00 ATOM 535 O GLU 93 -27.368 9.091 -8.520 1.00 0.00 ATOM 536 C GLU 93 -26.944 9.732 -9.485 1.00 0.00 ATOM 537 N VAL 94 -27.320 9.479 -10.744 1.00 0.00 ATOM 538 CA VAL 94 -28.134 8.363 -11.154 1.00 0.00 ATOM 539 CB VAL 94 -28.450 8.417 -12.660 1.00 0.00 ATOM 540 CG1 VAL 94 -29.154 7.145 -13.104 1.00 0.00 ATOM 541 CG2 VAL 94 -29.355 9.600 -12.972 1.00 0.00 ATOM 542 O VAL 94 -28.212 6.161 -10.297 1.00 0.00 ATOM 543 C VAL 94 -27.516 6.984 -10.921 1.00 0.00 ATOM 544 N PHE 95 -26.310 6.701 -11.433 1.00 0.00 ATOM 545 CA PHE 95 -25.813 5.335 -11.281 1.00 0.00 ATOM 546 CB PHE 95 -24.926 4.952 -12.466 1.00 0.00 ATOM 547 CG PHE 95 -25.675 4.797 -13.759 1.00 0.00 ATOM 548 CD1 PHE 95 -25.745 5.840 -14.666 1.00 0.00 ATOM 549 CD2 PHE 95 -26.311 3.608 -14.069 1.00 0.00 ATOM 550 CE1 PHE 95 -26.434 5.698 -15.855 1.00 0.00 ATOM 551 CE2 PHE 95 -27.000 3.464 -15.258 1.00 0.00 ATOM 552 CZ PHE 95 -27.064 4.503 -16.149 1.00 0.00 ATOM 553 O PHE 95 -24.759 5.892 -9.197 1.00 0.00 ATOM 554 C PHE 95 -24.971 5.031 -10.053 1.00 0.00 ATOM 558 N LYS 101 -24.746 3.720 -9.868 1.00 0.00 ATOM 559 CA LYS 101 -24.088 3.271 -8.641 1.00 0.00 ATOM 560 CB LYS 101 -24.645 1.916 -8.199 1.00 0.00 ATOM 561 CG LYS 101 -24.054 1.397 -6.899 1.00 0.00 ATOM 562 CD LYS 101 -24.682 0.072 -6.497 1.00 0.00 ATOM 563 CE LYS 101 -24.077 -0.457 -5.207 1.00 0.00 ATOM 564 NZ LYS 101 -24.715 -1.731 -4.777 1.00 0.00 ATOM 565 O LYS 101 -22.060 2.494 -9.738 1.00 0.00 ATOM 566 C LYS 101 -22.577 3.106 -8.801 1.00 0.00 ATOM 567 N ILE 102 -21.841 3.696 -7.864 1.00 0.00 ATOM 568 CA ILE 102 -20.392 3.624 -7.865 1.00 0.00 ATOM 569 CB ILE 102 -19.785 4.445 -6.712 1.00 0.00 ATOM 570 CG1 ILE 102 -20.243 3.889 -5.362 1.00 0.00 ATOM 571 CG2 ILE 102 -20.221 5.900 -6.807 1.00 0.00 ATOM 572 CD1 ILE 102 -19.553 4.524 -4.175 1.00 0.00 ATOM 573 O ILE 102 -20.790 1.391 -7.202 1.00 0.00 ATOM 574 C ILE 102 -19.987 2.171 -7.705 1.00 0.00 ATOM 575 N GLN 103 -18.781 1.795 -8.094 1.00 0.00 ATOM 576 CA GLN 103 -18.324 0.439 -7.893 1.00 0.00 ATOM 577 CB GLN 103 -17.310 0.051 -8.970 1.00 0.00 ATOM 578 CG GLN 103 -17.865 0.075 -10.384 1.00 0.00 ATOM 579 CD GLN 103 -16.824 -0.283 -11.427 1.00 0.00 ATOM 580 OE1 GLN 103 -15.686 -0.612 -11.092 1.00 0.00 ATOM 581 NE2 GLN 103 -17.211 -0.219 -12.695 1.00 0.00 ATOM 582 O GLN 103 -17.270 -0.757 -6.136 1.00 0.00 ATOM 583 C GLN 103 -17.667 0.343 -6.522 1.00 0.00 ATOM 584 N ALA 104 -17.366 1.498 -5.923 1.00 0.00 ATOM 585 CA ALA 104 -16.748 1.542 -4.606 1.00 0.00 ATOM 586 CB ALA 104 -15.265 1.219 -4.705 1.00 0.00 ATOM 587 O ALA 104 -16.950 3.855 -4.867 1.00 0.00 ATOM 588 C ALA 104 -16.928 2.942 -4.037 1.00 0.00 ATOM 589 N THR 105 -17.112 2.977 -2.723 1.00 0.00 ATOM 590 CA THR 105 -17.255 4.169 -1.936 1.00 0.00 ATOM 591 CB THR 105 -18.687 4.315 -1.389 1.00 0.00 ATOM 592 CG2 THR 105 -18.817 5.590 -0.569 1.00 0.00 ATOM 593 OG1 THR 105 -19.616 4.367 -2.478 1.00 0.00 ATOM 594 O THR 105 -16.223 3.142 -0.057 1.00 0.00 ATOM 595 C THR 105 -16.301 4.161 -0.736 1.00 0.00 ATOM 596 N ILE 106 -15.595 5.256 -0.456 1.00 0.00 ATOM 597 CA ILE 106 -14.767 5.382 0.714 1.00 0.00 ATOM 598 CB ILE 106 -13.287 5.584 0.338 1.00 0.00 ATOM 599 CG1 ILE 106 -12.770 4.381 -0.455 1.00 0.00 ATOM 600 CG2 ILE 106 -12.436 5.736 1.589 1.00 0.00 ATOM 601 CD1 ILE 106 -11.399 4.593 -1.059 1.00 0.00 ATOM 602 O ILE 106 -15.201 7.680 0.954 1.00 0.00 ATOM 603 C ILE 106 -15.254 6.608 1.523 1.00 0.00 ATOM 604 N LYS 107 -15.526 6.481 2.795 1.00 0.00 ATOM 605 CA LYS 107 -15.744 7.683 3.607 1.00 0.00 ATOM 606 CB LYS 107 -16.870 7.451 4.617 1.00 0.00 ATOM 607 CG LYS 107 -18.238 7.246 3.985 1.00 0.00 ATOM 608 CD LYS 107 -19.299 6.983 5.041 1.00 0.00 ATOM 609 CE LYS 107 -20.658 6.730 4.407 1.00 0.00 ATOM 610 NZ LYS 107 -21.700 6.433 5.428 1.00 0.00 ATOM 611 O LYS 107 -13.800 7.093 4.897 1.00 0.00 ATOM 612 C LYS 107 -14.438 7.988 4.343 1.00 0.00 ATOM 613 N LYS 108 -14.044 9.238 4.359 1.00 0.00 ATOM 614 CA LYS 108 -12.817 9.695 4.954 1.00 0.00 ATOM 615 CB LYS 108 -11.879 10.257 3.883 1.00 0.00 ATOM 616 CG LYS 108 -11.414 9.230 2.865 1.00 0.00 ATOM 617 CD LYS 108 -10.438 9.840 1.872 1.00 0.00 ATOM 618 CE LYS 108 -9.983 8.817 0.845 1.00 0.00 ATOM 619 NZ LYS 108 -8.960 9.376 -0.082 1.00 0.00 ATOM 620 O LYS 108 -13.577 11.872 5.586 1.00 0.00 ATOM 621 C LYS 108 -13.104 10.796 5.977 1.00 0.00 ATOM 622 N LYS 109 -12.652 10.566 7.162 1.00 0.00 ATOM 623 CA LYS 109 -12.699 11.596 8.235 1.00 0.00 ATOM 624 CB LYS 109 -13.311 11.013 9.511 1.00 0.00 ATOM 625 CG LYS 109 -14.767 10.599 9.367 1.00 0.00 ATOM 626 CD LYS 109 -15.317 10.051 10.674 1.00 0.00 ATOM 627 CE LYS 109 -16.782 9.670 10.540 1.00 0.00 ATOM 628 NZ LYS 109 -17.361 9.225 11.837 1.00 0.00 ATOM 629 O LYS 109 -10.433 11.234 8.970 1.00 0.00 ATOM 630 C LYS 109 -11.252 12.021 8.479 1.00 0.00 ATOM 631 N ARG 110 -10.909 13.253 8.149 1.00 0.00 ATOM 632 CA ARG 110 -9.532 13.666 8.054 1.00 0.00 ATOM 633 CB ARG 110 -9.127 13.848 6.590 1.00 0.00 ATOM 634 CG ARG 110 -7.661 14.193 6.390 1.00 0.00 ATOM 635 CD ARG 110 -7.332 14.377 4.917 1.00 0.00 ATOM 636 NE ARG 110 -7.382 13.114 4.183 1.00 0.00 ATOM 637 CZ ARG 110 -7.418 13.021 2.858 1.00 0.00 ATOM 638 NH1 ARG 110 -7.461 11.829 2.278 1.00 0.00 ATOM 639 NH2 ARG 110 -7.413 14.120 2.116 1.00 0.00 ATOM 640 O ARG 110 -9.952 15.908 8.785 1.00 0.00 ATOM 641 C ARG 110 -9.185 14.958 8.727 1.00 0.00 ATOM 642 N TRP 111 -7.978 14.939 9.381 1.00 0.00 ATOM 643 CA TRP 111 -7.440 16.175 9.955 1.00 0.00 ATOM 644 CB TRP 111 -7.263 16.032 11.468 1.00 0.00 ATOM 645 CG TRP 111 -8.557 15.978 12.220 1.00 0.00 ATOM 646 CD1 TRP 111 -9.224 17.031 12.779 1.00 0.00 ATOM 647 CD2 TRP 111 -9.343 14.812 12.497 1.00 0.00 ATOM 648 CE2 TRP 111 -10.471 15.233 13.228 1.00 0.00 ATOM 649 CE3 TRP 111 -9.201 13.454 12.199 1.00 0.00 ATOM 650 NE1 TRP 111 -10.376 16.593 13.387 1.00 0.00 ATOM 651 CZ2 TRP 111 -11.453 14.344 13.664 1.00 0.00 ATOM 652 CZ3 TRP 111 -10.177 12.576 12.632 1.00 0.00 ATOM 653 CH2 TRP 111 -11.288 13.021 13.357 1.00 0.00 ATOM 654 O TRP 111 -5.225 15.416 9.149 1.00 0.00 ATOM 655 C TRP 111 -6.060 16.375 9.231 1.00 0.00 ATOM 656 N VAL 112 -5.901 17.526 8.658 1.00 0.00 ATOM 657 CA VAL 112 -4.729 17.874 7.900 1.00 0.00 ATOM 658 CB VAL 112 -5.097 18.389 6.496 1.00 0.00 ATOM 659 CG1 VAL 112 -3.846 18.809 5.738 1.00 0.00 ATOM 660 CG2 VAL 112 -5.799 17.301 5.698 1.00 0.00 ATOM 661 O VAL 112 -4.566 19.912 9.172 1.00 0.00 ATOM 662 C VAL 112 -3.998 18.956 8.651 1.00 0.00 ATOM 663 N TYR 113 -2.671 18.794 8.686 1.00 0.00 ATOM 664 CA TYR 113 -1.826 19.822 9.337 1.00 0.00 ATOM 665 CB TYR 113 -1.006 19.203 10.470 1.00 0.00 ATOM 666 CG TYR 113 -1.842 18.662 11.607 1.00 0.00 ATOM 667 CD1 TYR 113 -2.292 17.347 11.597 1.00 0.00 ATOM 668 CD2 TYR 113 -2.180 19.467 12.687 1.00 0.00 ATOM 669 CE1 TYR 113 -3.056 16.844 12.632 1.00 0.00 ATOM 670 CE2 TYR 113 -2.945 18.981 13.730 1.00 0.00 ATOM 671 CZ TYR 113 -3.383 17.657 13.695 1.00 0.00 ATOM 672 OH TYR 113 -4.145 17.159 14.727 1.00 0.00 ATOM 673 O TYR 113 -0.160 19.569 7.676 1.00 0.00 ATOM 674 C TYR 113 -0.921 20.348 8.212 1.00 0.00 ATOM 675 N LYS 114 -0.963 21.582 7.808 1.00 0.00 ATOM 676 CA LYS 114 -0.326 22.222 6.746 1.00 0.00 ATOM 677 CB LYS 114 -1.289 23.182 6.043 1.00 0.00 ATOM 678 CG LYS 114 -0.711 23.841 4.800 1.00 0.00 ATOM 679 CD LYS 114 -1.706 24.804 4.174 1.00 0.00 ATOM 680 CE LYS 114 -1.132 25.456 2.927 1.00 0.00 ATOM 681 NZ LYS 114 -2.098 26.399 2.299 1.00 0.00 ATOM 682 O LYS 114 0.616 23.709 8.336 1.00 0.00 ATOM 683 C LYS 114 0.846 22.980 7.384 1.00 0.00 ATOM 684 N LEU 115 2.041 22.691 6.924 1.00 0.00 ATOM 685 CA LEU 115 3.185 23.399 7.432 1.00 0.00 ATOM 686 CB LEU 115 4.166 22.428 8.093 1.00 0.00 ATOM 687 CG LEU 115 3.644 21.662 9.311 1.00 0.00 ATOM 688 CD1 LEU 115 4.667 20.640 9.781 1.00 0.00 ATOM 689 CD2 LEU 115 3.359 22.614 10.463 1.00 0.00 ATOM 690 O LEU 115 4.531 23.393 5.454 1.00 0.00 ATOM 691 C LEU 115 3.785 24.054 6.195 1.00 0.00 ATOM 692 N ASN 116 3.459 25.331 5.996 1.00 0.00 ATOM 693 CA ASN 116 3.886 26.017 4.774 1.00 0.00 ATOM 694 CB ASN 116 3.242 27.401 4.684 1.00 0.00 ATOM 695 CG ASN 116 3.445 28.052 3.330 1.00 0.00 ATOM 696 ND2 ASN 116 3.381 29.378 3.296 1.00 0.00 ATOM 697 OD1 ASN 116 3.658 27.369 2.328 1.00 0.00 ATOM 698 O ASN 116 6.052 26.135 3.739 1.00 0.00 ATOM 699 C ASN 116 5.412 26.172 4.792 1.00 0.00 ATOM 700 N GLY 117 6.885 23.272 3.163 1.00 0.00 ATOM 701 CA GLY 117 6.098 22.852 2.029 1.00 0.00 ATOM 702 O GLY 117 5.353 20.750 1.229 1.00 0.00 ATOM 703 C GLY 117 5.431 21.526 2.203 1.00 0.00 ATOM 704 N VAL 118 4.909 21.171 3.335 1.00 0.00 ATOM 705 CA VAL 118 4.434 19.816 3.590 1.00 0.00 ATOM 706 CB VAL 118 5.362 19.068 4.565 1.00 0.00 ATOM 707 CG1 VAL 118 6.752 18.912 3.964 1.00 0.00 ATOM 708 CG2 VAL 118 5.488 19.831 5.875 1.00 0.00 ATOM 709 O VAL 118 2.749 20.828 4.967 1.00 0.00 ATOM 710 C VAL 118 3.022 19.923 4.207 1.00 0.00 ATOM 711 N THR 119 2.296 18.888 4.011 1.00 0.00 ATOM 712 CA THR 119 1.022 18.651 4.701 1.00 0.00 ATOM 713 CB THR 119 -0.170 18.748 3.732 1.00 0.00 ATOM 714 CG2 THR 119 -0.214 20.119 3.077 1.00 0.00 ATOM 715 OG1 THR 119 -0.043 17.750 2.711 1.00 0.00 ATOM 716 O THR 119 1.349 16.231 4.639 1.00 0.00 ATOM 717 C THR 119 1.066 17.245 5.307 1.00 0.00 ATOM 718 N LEU 120 0.607 17.125 6.538 1.00 0.00 ATOM 719 CA LEU 120 0.384 15.813 7.161 1.00 0.00 ATOM 720 CB LEU 120 0.917 15.802 8.595 1.00 0.00 ATOM 721 CG LEU 120 0.707 14.510 9.386 1.00 0.00 ATOM 722 CD1 LEU 120 1.490 13.365 8.763 1.00 0.00 ATOM 723 CD2 LEU 120 1.174 14.678 10.824 1.00 0.00 ATOM 724 O LEU 120 -1.823 16.354 7.696 1.00 0.00 ATOM 725 C LEU 120 -1.102 15.492 7.195 1.00 0.00 ATOM 726 N GLU 121 -1.546 14.367 6.657 1.00 0.00 ATOM 727 CA GLU 121 -2.983 14.095 6.616 1.00 0.00 ATOM 728 CB GLU 121 -3.457 13.929 5.170 1.00 0.00 ATOM 729 CG GLU 121 -3.378 15.201 4.342 1.00 0.00 ATOM 730 CD GLU 121 -3.937 15.021 2.945 1.00 0.00 ATOM 731 OE1 GLU 121 -4.427 13.913 2.639 1.00 0.00 ATOM 732 OE2 GLU 121 -3.887 15.987 2.155 1.00 0.00 ATOM 733 O GLU 121 -2.408 11.792 7.286 1.00 0.00 ATOM 734 C GLU 121 -3.191 12.777 7.420 1.00 0.00 ATOM 735 N VAL 122 -4.018 12.885 8.449 1.00 0.00 ATOM 736 CA VAL 122 -4.346 11.775 9.333 1.00 0.00 ATOM 737 CB VAL 122 -4.105 12.139 10.810 1.00 0.00 ATOM 738 CG1 VAL 122 -4.481 10.976 11.714 1.00 0.00 ATOM 739 CG2 VAL 122 -2.639 12.474 11.043 1.00 0.00 ATOM 740 O VAL 122 -6.739 12.280 9.330 1.00 0.00 ATOM 741 C VAL 122 -5.834 11.448 9.116 1.00 0.00 ATOM 742 N ASN 123 -6.128 10.283 8.605 1.00 0.00 ATOM 743 CA ASN 123 -7.477 9.965 8.194 1.00 0.00 ATOM 744 CB ASN 123 -7.587 9.969 6.668 1.00 0.00 ATOM 745 CG ASN 123 -6.837 8.817 6.027 1.00 0.00 ATOM 746 ND2 ASN 123 -5.672 9.112 5.463 1.00 0.00 ATOM 747 OD1 ASN 123 -7.302 7.678 6.041 1.00 0.00 ATOM 748 O ASN 123 -7.291 7.605 8.460 1.00 0.00 ATOM 749 C ASN 123 -7.974 8.613 8.649 1.00 0.00 ATOM 750 N ARG 124 -9.220 8.583 9.081 1.00 0.00 ATOM 751 CA ARG 124 -9.933 7.286 9.359 1.00 0.00 ATOM 752 CB ARG 124 -10.786 7.404 10.623 1.00 0.00 ATOM 753 CG ARG 124 -9.988 7.663 11.890 1.00 0.00 ATOM 754 CD ARG 124 -10.902 7.863 13.088 1.00 0.00 ATOM 755 NE ARG 124 -10.151 8.159 14.306 1.00 0.00 ATOM 756 CZ ARG 124 -10.706 8.333 15.500 1.00 0.00 ATOM 757 NH1 ARG 124 -9.943 8.599 16.553 1.00 0.00 ATOM 758 NH2 ARG 124 -12.021 8.241 15.642 1.00 0.00 ATOM 759 O ARG 124 -11.584 7.774 7.623 1.00 0.00 ATOM 760 C ARG 124 -10.841 6.904 8.214 1.00 0.00 ATOM 761 N VAL 125 -10.594 5.800 7.470 1.00 0.00 ATOM 762 CA VAL 125 -11.360 5.624 6.236 1.00 0.00 ATOM 763 CB VAL 125 -10.435 5.489 5.011 1.00 0.00 ATOM 764 CG1 VAL 125 -11.252 5.251 3.751 1.00 0.00 ATOM 765 CG2 VAL 125 -9.615 6.756 4.821 1.00 0.00 ATOM 766 O VAL 125 -11.707 3.356 6.841 1.00 0.00 ATOM 767 C VAL 125 -12.209 4.363 6.338 1.00 0.00 ATOM 768 N GLU 126 -13.467 4.421 5.880 1.00 0.00 ATOM 769 CA GLU 126 -14.303 3.254 5.905 1.00 0.00 ATOM 770 CB GLU 126 -15.657 3.577 6.540 1.00 0.00 ATOM 771 CG GLU 126 -16.592 2.384 6.651 1.00 0.00 ATOM 772 CD GLU 126 -17.920 2.741 7.289 1.00 0.00 ATOM 773 OE1 GLU 126 -18.115 3.927 7.630 1.00 0.00 ATOM 774 OE2 GLU 126 -18.766 1.837 7.448 1.00 0.00 ATOM 775 O GLU 126 -14.817 3.768 3.684 1.00 0.00 ATOM 776 C GLU 126 -14.455 2.868 4.487 1.00 0.00 ATOM 777 N GLY 127 -14.078 1.632 4.235 1.00 0.00 ATOM 778 CA GLY 127 -13.868 1.287 2.784 1.00 0.00 ATOM 779 O GLY 127 -15.224 -0.670 3.127 1.00 0.00 ATOM 780 C GLY 127 -15.039 0.360 2.452 1.00 0.00 ATOM 784 N GLY 129 -9.759 1.613 7.717 1.00 0.00 ATOM 785 CA GLY 129 -8.284 1.666 7.780 1.00 0.00 ATOM 786 O GLY 129 -8.847 3.886 8.583 1.00 0.00 ATOM 787 C GLY 129 -7.994 2.969 8.494 1.00 0.00 ATOM 788 N ASP 130 -6.841 3.090 9.048 1.00 0.00 ATOM 789 CA ASP 130 -6.304 4.296 9.623 1.00 0.00 ATOM 790 CB ASP 130 -5.925 4.068 11.087 1.00 0.00 ATOM 791 CG ASP 130 -5.427 5.330 11.763 1.00 0.00 ATOM 792 OD1 ASP 130 -5.241 6.347 11.060 1.00 0.00 ATOM 793 OD2 ASP 130 -5.220 5.304 12.995 1.00 0.00 ATOM 794 O ASP 130 -4.107 3.884 8.798 1.00 0.00 ATOM 795 C ASP 130 -5.056 4.663 8.796 1.00 0.00 ATOM 796 N PHE 131 -5.077 5.788 8.100 1.00 0.00 ATOM 797 CA PHE 131 -4.055 6.191 7.202 1.00 0.00 ATOM 798 CB PHE 131 -4.634 6.445 5.809 1.00 0.00 ATOM 799 CG PHE 131 -5.208 5.218 5.159 1.00 0.00 ATOM 800 CD1 PHE 131 -6.548 4.904 5.300 1.00 0.00 ATOM 801 CD2 PHE 131 -4.406 4.378 4.405 1.00 0.00 ATOM 802 CE1 PHE 131 -7.076 3.776 4.702 1.00 0.00 ATOM 803 CE2 PHE 131 -4.934 3.249 3.807 1.00 0.00 ATOM 804 CZ PHE 131 -6.262 2.946 3.952 1.00 0.00 ATOM 805 O PHE 131 -3.837 8.447 8.332 1.00 0.00 ATOM 806 C PHE 131 -3.371 7.462 7.646 1.00 0.00 ATOM 807 N VAL 132 -2.035 7.449 7.440 1.00 0.00 ATOM 808 CA VAL 132 -1.220 8.637 7.787 1.00 0.00 ATOM 809 CB VAL 132 -0.236 8.332 8.932 1.00 0.00 ATOM 810 CG1 VAL 132 0.607 9.557 9.251 1.00 0.00 ATOM 811 CG2 VAL 132 -0.990 7.926 10.189 1.00 0.00 ATOM 812 O VAL 132 0.161 8.100 5.946 1.00 0.00 ATOM 813 C VAL 132 -0.436 9.045 6.541 1.00 0.00 ATOM 814 N ASP 133 -0.550 10.228 5.992 1.00 0.00 ATOM 815 CA ASP 133 0.100 10.542 4.729 1.00 0.00 ATOM 816 CB ASP 133 -0.936 10.664 3.610 1.00 0.00 ATOM 817 CG ASP 133 -1.620 9.345 3.303 1.00 0.00 ATOM 818 OD1 ASP 133 -1.146 8.301 3.798 1.00 0.00 ATOM 819 OD2 ASP 133 -2.628 9.356 2.566 1.00 0.00 ATOM 820 O ASP 133 0.275 12.754 5.542 1.00 0.00 ATOM 821 C ASP 133 0.840 11.865 4.878 1.00 0.00 ATOM 822 N ILE 134 1.955 12.005 4.167 1.00 0.00 ATOM 823 CA ILE 134 2.603 13.289 4.110 1.00 0.00 ATOM 824 CB ILE 134 4.039 13.222 4.663 1.00 0.00 ATOM 825 CG1 ILE 134 4.026 12.786 6.129 1.00 0.00 ATOM 826 CG2 ILE 134 4.709 14.584 4.570 1.00 0.00 ATOM 827 CD1 ILE 134 5.399 12.475 6.685 1.00 0.00 ATOM 828 O ILE 134 2.885 12.788 1.805 1.00 0.00 ATOM 829 C ILE 134 2.607 13.666 2.594 1.00 0.00 ATOM 830 N GLU 135 2.258 14.898 2.276 1.00 0.00 ATOM 831 CA GLU 135 2.168 15.234 0.869 1.00 0.00 ATOM 832 CB GLU 135 0.711 15.458 0.463 1.00 0.00 ATOM 833 CG GLU 135 0.519 15.793 -1.007 1.00 0.00 ATOM 834 CD GLU 135 -0.942 15.899 -1.396 1.00 0.00 ATOM 835 OE1 GLU 135 -1.645 16.765 -0.835 1.00 0.00 ATOM 836 OE2 GLU 135 -1.384 15.114 -2.262 1.00 0.00 ATOM 837 O GLU 135 3.026 17.273 1.684 1.00 0.00 ATOM 838 C GLU 135 2.985 16.514 0.705 1.00 0.00 ATOM 839 N VAL 136 3.755 16.623 -0.321 1.00 0.00 ATOM 840 CA VAL 136 4.525 17.817 -0.646 1.00 0.00 ATOM 841 CB VAL 136 5.770 17.474 -1.483 1.00 0.00 ATOM 842 CG1 VAL 136 6.684 16.529 -0.718 1.00 0.00 ATOM 843 CG2 VAL 136 5.368 16.802 -2.787 1.00 0.00 ATOM 844 O VAL 136 2.611 18.392 -2.069 1.00 0.00 ATOM 845 C VAL 136 3.634 18.770 -1.450 1.00 0.00 ATOM 846 N ILE 137 3.900 20.065 -1.296 1.00 0.00 ATOM 847 CA ILE 137 3.071 21.024 -2.106 1.00 0.00 ATOM 848 CB ILE 137 3.244 22.473 -1.615 1.00 0.00 ATOM 849 CG1 ILE 137 2.744 22.612 -0.175 1.00 0.00 ATOM 850 CG2 ILE 137 2.453 23.431 -2.493 1.00 0.00 ATOM 851 CD1 ILE 137 3.082 23.941 0.463 1.00 0.00 ATOM 852 O ILE 137 4.634 21.126 -3.937 1.00 0.00 ATOM 853 C ILE 137 3.475 20.981 -3.576 1.00 0.00 ATOM 854 N SER 138 2.611 20.552 -4.505 1.00 0.00 ATOM 855 CA SER 138 2.883 20.488 -5.917 1.00 0.00 ATOM 856 CB SER 138 1.589 20.259 -6.701 1.00 0.00 ATOM 857 OG SER 138 1.839 20.225 -8.096 1.00 0.00 ATOM 858 O SER 138 4.637 21.645 -7.029 1.00 0.00 ATOM 859 C SER 138 3.517 21.732 -6.516 1.00 0.00 ATOM 860 N ASP 139 2.887 22.904 -6.407 1.00 0.00 ATOM 861 CA ASP 139 3.472 24.142 -6.837 1.00 0.00 ATOM 862 CB ASP 139 2.829 25.321 -6.105 1.00 0.00 ATOM 863 CG ASP 139 3.277 26.662 -6.653 1.00 0.00 ATOM 864 OD1 ASP 139 4.099 26.674 -7.593 1.00 0.00 ATOM 865 OD2 ASP 139 2.807 27.700 -6.141 1.00 0.00 ATOM 866 O ASP 139 5.783 24.542 -7.430 1.00 0.00 ATOM 867 C ASP 139 4.965 24.186 -6.562 1.00 0.00 ATOM 868 N SER 140 19.564 26.187 -10.643 1.00 0.00 ATOM 869 CA SER 140 19.864 26.209 -9.213 1.00 0.00 ATOM 870 CB SER 140 19.328 27.491 -8.573 1.00 0.00 ATOM 871 OG SER 140 19.617 27.529 -7.187 1.00 0.00 ATOM 872 O SER 140 18.147 25.075 -7.905 1.00 0.00 ATOM 873 C SER 140 19.216 25.013 -8.517 1.00 0.00 ATOM 874 N PRO 141 19.880 23.882 -8.588 1.00 0.00 ATOM 875 CA PRO 141 19.628 22.628 -7.962 1.00 0.00 ATOM 876 CB PRO 141 20.929 21.847 -8.161 1.00 0.00 ATOM 877 CG PRO 141 21.513 22.406 -9.415 1.00 0.00 ATOM 878 CD PRO 141 21.228 23.882 -9.385 1.00 0.00 ATOM 879 O PRO 141 18.794 21.708 -5.945 1.00 0.00 ATOM 880 C PRO 141 19.292 22.694 -6.462 1.00 0.00 ATOM 881 N GLU 142 19.799 23.645 -5.707 1.00 0.00 ATOM 882 CA GLU 142 19.673 23.693 -4.273 1.00 0.00 ATOM 883 CB GLU 142 20.365 24.938 -3.715 1.00 0.00 ATOM 884 CG GLU 142 21.883 24.891 -3.791 1.00 0.00 ATOM 885 CD GLU 142 22.531 26.177 -3.317 1.00 0.00 ATOM 886 OE1 GLU 142 21.791 27.131 -2.997 1.00 0.00 ATOM 887 OE2 GLU 142 23.777 26.232 -3.268 1.00 0.00 ATOM 888 O GLU 142 17.956 23.083 -2.796 1.00 0.00 ATOM 889 C GLU 142 18.204 23.739 -3.806 1.00 0.00 ATOM 890 N GLU 143 17.271 24.379 -4.499 1.00 0.00 ATOM 891 CA GLU 143 15.873 24.425 -4.040 1.00 0.00 ATOM 892 CB GLU 143 15.064 25.412 -4.885 1.00 0.00 ATOM 893 CG GLU 143 15.429 26.870 -4.655 1.00 0.00 ATOM 894 CD GLU 143 14.698 27.809 -5.593 1.00 0.00 ATOM 895 OE1 GLU 143 13.960 27.314 -6.472 1.00 0.00 ATOM 896 OE2 GLU 143 14.862 29.038 -5.450 1.00 0.00 ATOM 897 O GLU 143 14.526 22.519 -3.306 1.00 0.00 ATOM 898 C GLU 143 15.227 23.031 -4.162 1.00 0.00 ATOM 899 N ALA 144 15.497 22.332 -5.261 1.00 0.00 ATOM 900 CA ALA 144 14.979 21.019 -5.526 1.00 0.00 ATOM 901 CB ALA 144 15.400 20.552 -6.911 1.00 0.00 ATOM 902 O ALA 144 14.782 19.337 -3.766 1.00 0.00 ATOM 903 C ALA 144 15.521 20.051 -4.486 1.00 0.00 ATOM 904 N LYS 145 16.798 20.145 -4.227 1.00 0.00 ATOM 905 CA LYS 145 17.498 19.235 -3.298 1.00 0.00 ATOM 906 CB LYS 145 19.011 19.448 -3.376 1.00 0.00 ATOM 907 CG LYS 145 19.639 18.968 -4.675 1.00 0.00 ATOM 908 CD LYS 145 21.140 19.206 -4.683 1.00 0.00 ATOM 909 CE LYS 145 21.763 18.757 -5.994 1.00 0.00 ATOM 910 NZ LYS 145 23.231 19.006 -6.026 1.00 0.00 ATOM 911 O LYS 145 16.747 18.434 -1.351 1.00 0.00 ATOM 912 C LYS 145 17.044 19.495 -1.866 1.00 0.00 ATOM 913 N GLU 146 16.836 20.742 -1.384 1.00 0.00 ATOM 914 CA GLU 146 16.368 20.734 0.019 1.00 0.00 ATOM 915 CB GLU 146 16.782 22.024 0.730 1.00 0.00 ATOM 916 CG GLU 146 18.283 22.174 0.919 1.00 0.00 ATOM 917 CD GLU 146 18.658 23.484 1.582 1.00 0.00 ATOM 918 OE1 GLU 146 17.745 24.287 1.871 1.00 0.00 ATOM 919 OE2 GLU 146 19.865 23.709 1.811 1.00 0.00 ATOM 920 O GLU 146 14.429 20.076 1.192 1.00 0.00 ATOM 921 C GLU 146 14.863 20.622 0.155 1.00 0.00 ATOM 922 N LYS 147 14.100 20.601 -0.953 1.00 0.00 ATOM 923 CA LYS 147 12.671 20.319 -0.805 1.00 0.00 ATOM 924 CB LYS 147 11.919 20.677 -2.088 1.00 0.00 ATOM 925 CG LYS 147 10.416 20.459 -2.007 1.00 0.00 ATOM 926 CD LYS 147 9.723 20.915 -3.280 1.00 0.00 ATOM 927 CE LYS 147 8.225 20.666 -3.214 1.00 0.00 ATOM 928 NZ LYS 147 7.539 21.056 -4.477 1.00 0.00 ATOM 929 O LYS 147 11.752 18.286 0.183 1.00 0.00 ATOM 930 C LYS 147 12.578 18.841 -0.521 1.00 0.00 ATOM 931 N ILE 148 13.346 18.047 -1.313 1.00 0.00 ATOM 932 CA ILE 148 13.358 16.599 -1.157 1.00 0.00 ATOM 933 CB ILE 148 14.300 15.930 -2.175 1.00 0.00 ATOM 934 CG1 ILE 148 13.752 16.089 -3.595 1.00 0.00 ATOM 935 CG2 ILE 148 14.439 14.445 -1.876 1.00 0.00 ATOM 936 CD1 ILE 148 14.735 15.703 -4.676 1.00 0.00 ATOM 937 O ILE 148 13.315 15.302 0.833 1.00 0.00 ATOM 938 C ILE 148 13.834 16.237 0.249 1.00 0.00 ATOM 939 N TRP 149 14.994 16.717 0.661 1.00 0.00 ATOM 940 CA TRP 149 15.562 16.546 1.982 1.00 0.00 ATOM 941 CB TRP 149 16.744 17.496 2.184 1.00 0.00 ATOM 942 CG TRP 149 17.407 17.354 3.520 1.00 0.00 ATOM 943 CD1 TRP 149 17.292 18.199 4.587 1.00 0.00 ATOM 944 CD2 TRP 149 18.288 16.301 3.934 1.00 0.00 ATOM 945 CE2 TRP 149 18.668 16.575 5.263 1.00 0.00 ATOM 946 CE3 TRP 149 18.792 15.156 3.311 1.00 0.00 ATOM 947 NE1 TRP 149 18.046 17.740 5.639 1.00 0.00 ATOM 948 CZ2 TRP 149 19.529 15.745 5.980 1.00 0.00 ATOM 949 CZ3 TRP 149 19.645 14.336 4.026 1.00 0.00 ATOM 950 CH2 TRP 149 20.007 14.631 5.344 1.00 0.00 ATOM 951 O TRP 149 14.323 16.005 3.977 1.00 0.00 ATOM 952 C TRP 149 14.498 16.846 3.095 1.00 0.00 ATOM 953 N GLU 150 13.801 17.965 2.933 1.00 0.00 ATOM 954 CA GLU 150 12.839 18.173 4.021 1.00 0.00 ATOM 955 CB GLU 150 12.206 19.563 3.917 1.00 0.00 ATOM 956 CG GLU 150 13.158 20.704 4.231 1.00 0.00 ATOM 957 CD GLU 150 12.533 22.065 3.999 1.00 0.00 ATOM 958 OE1 GLU 150 11.378 22.116 3.525 1.00 0.00 ATOM 959 OE2 GLU 150 13.195 23.082 4.292 1.00 0.00 ATOM 960 O GLU 150 11.128 16.908 5.092 1.00 0.00 ATOM 961 C GLU 150 11.714 17.177 4.019 1.00 0.00 ATOM 962 N VAL 151 11.168 16.881 2.861 1.00 0.00 ATOM 963 CA VAL 151 10.073 15.894 2.776 1.00 0.00 ATOM 964 CB VAL 151 9.735 15.549 1.314 1.00 0.00 ATOM 965 CG1 VAL 151 8.760 14.384 1.254 1.00 0.00 ATOM 966 CG2 VAL 151 9.102 16.744 0.618 1.00 0.00 ATOM 967 O VAL 151 9.731 14.042 4.246 1.00 0.00 ATOM 968 C VAL 151 10.486 14.632 3.482 1.00 0.00 ATOM 969 N ALA 152 11.671 14.044 3.105 1.00 0.00 ATOM 970 CA ALA 152 12.164 12.877 3.824 1.00 0.00 ATOM 971 CB ALA 152 13.508 12.437 3.263 1.00 0.00 ATOM 972 O ALA 152 12.080 12.167 6.125 1.00 0.00 ATOM 973 C ALA 152 12.384 13.076 5.353 1.00 0.00 ATOM 974 N LYS 153 12.936 14.199 5.781 1.00 0.00 ATOM 975 CA LYS 153 13.132 14.565 7.179 1.00 0.00 ATOM 976 CB LYS 153 13.785 15.945 7.285 1.00 0.00 ATOM 977 CG LYS 153 14.070 16.388 8.710 1.00 0.00 ATOM 978 CD LYS 153 14.787 17.728 8.739 1.00 0.00 ATOM 979 CE LYS 153 15.046 18.186 10.164 1.00 0.00 ATOM 980 NZ LYS 153 15.736 19.505 10.207 1.00 0.00 ATOM 981 O LYS 153 11.629 13.980 8.874 1.00 0.00 ATOM 982 C LYS 153 11.755 14.596 7.883 1.00 0.00 ATOM 983 N MET 154 10.710 15.149 7.249 1.00 0.00 ATOM 984 CA MET 154 9.385 15.115 7.895 1.00 0.00 ATOM 985 CB MET 154 8.370 15.919 7.079 1.00 0.00 ATOM 986 CG MET 154 8.611 17.420 7.095 1.00 0.00 ATOM 987 SD MET 154 8.523 18.121 8.753 1.00 0.00 ATOM 988 CE MET 154 6.778 17.928 9.110 1.00 0.00 ATOM 989 O MET 154 8.239 13.214 9.011 1.00 0.00 ATOM 990 C MET 154 8.868 13.700 8.017 1.00 0.00 ATOM 991 N LEU 155 9.112 12.918 6.968 1.00 0.00 ATOM 992 CA LEU 155 8.721 11.526 6.902 1.00 0.00 ATOM 993 CB LEU 155 9.204 10.896 5.594 1.00 0.00 ATOM 994 CG LEU 155 8.875 9.416 5.392 1.00 0.00 ATOM 995 CD1 LEU 155 7.369 9.197 5.371 1.00 0.00 ATOM 996 CD2 LEU 155 9.447 8.911 4.076 1.00 0.00 ATOM 997 O LEU 155 8.727 9.802 8.739 1.00 0.00 ATOM 998 C LEU 155 9.302 10.688 8.053 1.00 0.00 ATOM 999 N GLY 156 10.584 10.899 8.205 1.00 0.00 ATOM 1000 CA GLY 156 11.366 10.256 9.254 1.00 0.00 ATOM 1001 O GLY 156 10.810 9.820 11.538 1.00 0.00 ATOM 1002 C GLY 156 10.858 10.651 10.643 1.00 0.00 ATOM 1003 N LEU 157 10.626 11.989 10.874 1.00 0.00 ATOM 1004 CA LEU 157 10.041 12.279 12.192 1.00 0.00 ATOM 1005 CB LEU 157 9.663 13.758 12.298 1.00 0.00 ATOM 1006 CG LEU 157 10.825 14.751 12.370 1.00 0.00 ATOM 1007 CD1 LEU 157 10.314 16.182 12.303 1.00 0.00 ATOM 1008 CD2 LEU 157 11.597 14.581 13.669 1.00 0.00 ATOM 1009 O LEU 157 8.598 10.963 13.551 1.00 0.00 ATOM 1010 C LEU 157 8.794 11.471 12.452 1.00 0.00 ATOM 1011 N LYS 158 7.856 11.320 11.499 1.00 0.00 ATOM 1012 CA LYS 158 6.590 10.651 11.728 1.00 0.00 ATOM 1013 CB LYS 158 5.662 10.836 10.526 1.00 0.00 ATOM 1014 CG LYS 158 4.285 10.216 10.704 1.00 0.00 ATOM 1015 CD LYS 158 3.499 10.922 11.797 1.00 0.00 ATOM 1016 CE LYS 158 2.082 10.380 11.895 1.00 0.00 ATOM 1017 NZ LYS 158 1.303 11.056 12.969 1.00 0.00 ATOM 1018 O LYS 158 6.351 8.525 12.824 1.00 0.00 ATOM 1019 C LYS 158 6.873 9.199 11.931 1.00 0.00 ATOM 1020 N GLU 159 7.758 8.669 11.044 1.00 0.00 ATOM 1021 CA GLU 159 8.046 7.232 11.179 1.00 0.00 ATOM 1022 CB GLU 159 9.106 6.800 10.163 1.00 0.00 ATOM 1023 CG GLU 159 9.432 5.316 10.200 1.00 0.00 ATOM 1024 CD GLU 159 10.461 4.920 9.158 1.00 0.00 ATOM 1025 OE1 GLU 159 10.907 5.804 8.398 1.00 0.00 ATOM 1026 OE2 GLU 159 10.819 3.724 9.102 1.00 0.00 ATOM 1027 O GLU 159 8.282 5.788 13.189 1.00 0.00 ATOM 1028 C GLU 159 8.583 6.839 12.590 1.00 0.00 ATOM 1029 N GLU 160 9.512 7.523 13.112 1.00 0.00 ATOM 1030 CA GLU 160 10.200 7.392 14.355 1.00 0.00 ATOM 1031 CB GLU 160 11.322 8.427 14.459 1.00 0.00 ATOM 1032 CG GLU 160 12.140 8.330 15.737 1.00 0.00 ATOM 1033 CD GLU 160 13.261 9.349 15.789 1.00 0.00 ATOM 1034 OE1 GLU 160 13.407 10.123 14.820 1.00 0.00 ATOM 1035 OE2 GLU 160 13.995 9.373 16.800 1.00 0.00 ATOM 1036 O GLU 160 9.286 6.820 16.414 1.00 0.00 ATOM 1037 C GLU 160 9.164 7.617 15.484 1.00 0.00 ATOM 1038 N ASP 161 8.378 8.664 15.373 1.00 0.00 ATOM 1039 CA ASP 161 7.346 8.822 16.439 1.00 0.00 ATOM 1040 CB ASP 161 6.524 10.091 16.206 1.00 0.00 ATOM 1041 CG ASP 161 7.304 11.354 16.514 1.00 0.00 ATOM 1042 OD1 ASP 161 8.387 11.249 17.128 1.00 0.00 ATOM 1043 OD2 ASP 161 6.833 12.449 16.142 1.00 0.00 ATOM 1044 O ASP 161 6.076 7.132 17.568 1.00 0.00 ATOM 1045 C ASP 161 6.381 7.656 16.479 1.00 0.00 ATOM 1046 N VAL 162 5.885 7.180 15.342 1.00 0.00 ATOM 1047 CA VAL 162 5.095 5.931 15.331 1.00 0.00 ATOM 1048 CB VAL 162 4.693 5.530 13.899 1.00 0.00 ATOM 1049 CG1 VAL 162 4.055 4.150 13.892 1.00 0.00 ATOM 1050 CG2 VAL 162 3.692 6.525 13.330 1.00 0.00 ATOM 1051 O VAL 162 5.213 3.996 16.774 1.00 0.00 ATOM 1052 C VAL 162 5.794 4.704 15.906 1.00 0.00 ATOM 1053 N GLU 163 7.137 4.555 15.740 1.00 0.00 ATOM 1054 CA GLU 163 7.865 3.450 16.281 1.00 0.00 ATOM 1055 CB GLU 163 9.235 3.331 15.609 1.00 0.00 ATOM 1056 CG GLU 163 9.172 3.050 14.116 1.00 0.00 ATOM 1057 CD GLU 163 10.532 3.125 13.451 1.00 0.00 ATOM 1058 OE1 GLU 163 11.516 3.456 14.146 1.00 0.00 ATOM 1059 OE2 GLU 163 10.614 2.855 12.235 1.00 0.00 ATOM 1060 O GLU 163 7.759 2.669 18.505 1.00 0.00 ATOM 1061 C GLU 163 8.083 3.621 17.770 1.00 0.00 TER END