PFRMAT TS TARGET T0275 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD This model is created by sidechain replacement on our second-best METHOD template (1mjhA). METHOD The sidechains were repacked by SCWRL. METHOD METHOD The alignment was done with a 3-state HMM: METHOD T0275-1mjhA-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD METHOD REMARK 6 REMARK 6 T0275 model 5 Fri Aug 13 12:40:57 2004 MODEL 5 PARENT 1mjh_A ATOM 1 N MET 1 8.600 -19.806 -7.110 1.00 0.00 ATOM 2 CA MET 1 9.743 -19.044 -6.665 1.00 0.00 ATOM 3 CB MET 1 10.841 -19.054 -7.731 1.00 0.00 ATOM 4 CG MET 1 12.136 -18.390 -7.293 1.00 0.00 ATOM 5 SD MET 1 12.989 -19.312 -5.999 1.00 0.00 ATOM 6 CE MET 1 13.520 -20.761 -6.908 1.00 0.00 ATOM 7 O MET 1 8.766 -16.968 -7.345 1.00 0.00 ATOM 8 C MET 1 9.312 -17.593 -6.403 1.00 0.00 ATOM 9 N PHE 2 9.564 -17.028 -5.233 1.00 0.00 ATOM 10 CA PHE 2 9.173 -15.649 -4.980 1.00 0.00 ATOM 11 CB PHE 2 8.882 -15.438 -3.494 1.00 0.00 ATOM 12 CG PHE 2 7.685 -16.200 -2.997 1.00 0.00 ATOM 13 CD1 PHE 2 7.843 -17.378 -2.288 1.00 0.00 ATOM 14 CD2 PHE 2 6.403 -15.737 -3.238 1.00 0.00 ATOM 15 CE1 PHE 2 6.742 -18.078 -1.831 1.00 0.00 ATOM 16 CE2 PHE 2 5.303 -16.437 -2.780 1.00 0.00 ATOM 17 CZ PHE 2 5.468 -17.603 -2.079 1.00 0.00 ATOM 18 O PHE 2 10.934 -14.110 -4.511 1.00 0.00 ATOM 19 C PHE 2 10.260 -14.656 -5.380 1.00 0.00 ATOM 20 N LYS 3 10.397 -14.449 -6.699 1.00 0.00 ATOM 21 CA LYS 3 11.464 -13.528 -7.140 1.00 0.00 ATOM 22 CB LYS 3 11.938 -13.892 -8.549 1.00 0.00 ATOM 23 CG LYS 3 12.618 -15.249 -8.643 1.00 0.00 ATOM 24 CD LYS 3 13.103 -15.525 -10.056 1.00 0.00 ATOM 25 CE LYS 3 13.760 -16.893 -10.157 1.00 0.00 ATOM 26 NZ LYS 3 14.212 -17.191 -11.544 1.00 0.00 ATOM 27 O LYS 3 11.778 -11.153 -6.932 1.00 0.00 ATOM 28 C LYS 3 11.010 -12.096 -7.175 1.00 0.00 ATOM 29 N THR 4 9.699 -11.910 -7.462 1.00 0.00 ATOM 30 CA THR 4 9.172 -10.549 -7.611 1.00 0.00 ATOM 31 CB THR 4 8.818 -10.239 -9.077 1.00 0.00 ATOM 32 CG2 THR 4 8.301 -8.814 -9.210 1.00 0.00 ATOM 33 OG1 THR 4 9.985 -10.386 -9.896 1.00 0.00 ATOM 34 O THR 4 7.031 -11.249 -6.869 1.00 0.00 ATOM 35 C THR 4 7.900 -10.381 -6.767 1.00 0.00 ATOM 36 N ILE 5 7.960 -9.423 -5.870 1.00 0.00 ATOM 37 CA ILE 5 6.851 -9.182 -4.935 1.00 0.00 ATOM 38 CB ILE 5 7.345 -9.120 -3.478 1.00 0.00 ATOM 39 CG1 ILE 5 7.976 -10.454 -3.072 1.00 0.00 ATOM 40 CG2 ILE 5 6.188 -8.829 -2.535 1.00 0.00 ATOM 41 CD1 ILE 5 8.699 -10.408 -1.743 1.00 0.00 ATOM 42 O ILE 5 6.780 -6.814 -5.430 1.00 0.00 ATOM 43 C ILE 5 6.149 -7.865 -5.233 1.00 0.00 ATOM 44 N LEU 6 4.780 -7.898 -5.156 1.00 0.00 ATOM 45 CA LEU 6 4.080 -6.607 -5.245 1.00 0.00 ATOM 46 CB LEU 6 2.827 -6.736 -6.114 1.00 0.00 ATOM 47 CG LEU 6 1.968 -5.478 -6.256 1.00 0.00 ATOM 48 CD1 LEU 6 2.731 -4.383 -6.984 1.00 0.00 ATOM 49 CD2 LEU 6 0.700 -5.778 -7.040 1.00 0.00 ATOM 50 O LEU 6 3.119 -7.022 -3.070 1.00 0.00 ATOM 51 C LEU 6 3.701 -6.219 -3.819 1.00 0.00 ATOM 52 N LEU 7 4.225 -5.041 -3.416 1.00 0.00 ATOM 53 CA LEU 7 3.891 -4.537 -2.085 1.00 0.00 ATOM 54 CB LEU 7 5.164 -4.266 -1.280 1.00 0.00 ATOM 55 CG LEU 7 6.030 -5.483 -0.952 1.00 0.00 ATOM 56 CD1 LEU 7 7.331 -5.054 -0.289 1.00 0.00 ATOM 57 CD2 LEU 7 5.301 -6.422 -0.004 1.00 0.00 ATOM 58 O LEU 7 3.641 -2.154 -2.465 1.00 0.00 ATOM 59 C LEU 7 3.102 -3.238 -2.213 1.00 0.00 ATOM 60 N ALA 8 1.778 -3.334 -2.185 1.00 0.00 ATOM 61 CA ALA 8 0.918 -2.132 -2.258 1.00 0.00 ATOM 62 CB ALA 8 -0.447 -2.492 -2.824 1.00 0.00 ATOM 63 O ALA 8 0.406 -2.216 0.132 1.00 0.00 ATOM 64 C ALA 8 0.731 -1.542 -0.871 1.00 0.00 ATOM 65 N TYR 9 1.110 -0.253 -0.749 1.00 0.00 ATOM 66 CA TYR 9 0.979 0.421 0.539 1.00 0.00 ATOM 67 CB TYR 9 2.350 0.875 1.048 1.00 0.00 ATOM 68 CG TYR 9 3.297 -0.262 1.352 1.00 0.00 ATOM 69 CD1 TYR 9 4.170 -0.741 0.383 1.00 0.00 ATOM 70 CD2 TYR 9 3.318 -0.853 2.608 1.00 0.00 ATOM 71 CE1 TYR 9 5.039 -1.781 0.654 1.00 0.00 ATOM 72 CE2 TYR 9 4.180 -1.894 2.897 1.00 0.00 ATOM 73 CZ TYR 9 5.046 -2.355 1.906 1.00 0.00 ATOM 74 OH TYR 9 5.911 -3.390 2.178 1.00 0.00 ATOM 75 O TYR 9 0.159 2.423 -0.437 1.00 0.00 ATOM 76 C TYR 9 0.106 1.657 0.523 1.00 0.00 ATOM 77 N ASP 10 -0.658 1.850 1.574 1.00 0.00 ATOM 78 CA ASP 10 -1.441 3.051 1.820 1.00 0.00 ATOM 79 CB ASP 10 -2.876 2.686 2.211 1.00 0.00 ATOM 80 CG ASP 10 -2.943 1.870 3.486 1.00 0.00 ATOM 81 OD1 ASP 10 -1.872 1.558 4.049 1.00 0.00 ATOM 82 OD2 ASP 10 -4.066 1.543 3.923 1.00 0.00 ATOM 83 O ASP 10 -1.449 4.705 3.513 1.00 0.00 ATOM 84 C ASP 10 -0.783 3.838 2.970 1.00 0.00 ATOM 85 N GLY 11 0.415 3.450 3.347 1.00 0.00 ATOM 86 CA GLY 11 1.180 4.088 4.431 1.00 0.00 ATOM 87 O GLY 11 0.711 4.757 6.742 1.00 0.00 ATOM 88 C GLY 11 0.512 3.960 5.783 1.00 0.00 ATOM 89 N SER 12 -0.338 2.953 5.966 1.00 0.00 ATOM 90 CA SER 12 -1.055 2.723 7.225 1.00 0.00 ATOM 91 CB SER 12 -2.348 1.947 6.971 1.00 0.00 ATOM 92 OG SER 12 -2.075 0.628 6.533 1.00 0.00 ATOM 93 O SER 12 0.845 1.336 7.840 1.00 0.00 ATOM 94 C SER 12 -0.177 1.920 8.173 1.00 0.00 ATOM 95 N GLU 13 -0.677 1.836 9.417 1.00 0.00 ATOM 96 CA GLU 13 0.100 1.073 10.410 1.00 0.00 ATOM 97 CB GLU 13 -0.499 1.248 11.807 1.00 0.00 ATOM 98 CG GLU 13 -0.315 2.638 12.393 1.00 0.00 ATOM 99 CD GLU 13 -0.999 2.800 13.735 1.00 0.00 ATOM 100 OE1 GLU 13 -1.672 1.845 14.179 1.00 0.00 ATOM 101 OE2 GLU 13 -0.865 3.882 14.344 1.00 0.00 ATOM 102 O GLU 13 1.142 -1.075 10.224 1.00 0.00 ATOM 103 C GLU 13 0.095 -0.417 10.064 1.00 0.00 ATOM 104 N HIS 14 -1.044 -0.858 9.478 1.00 0.00 ATOM 105 CA HIS 14 -1.031 -2.310 9.146 1.00 0.00 ATOM 106 CB HIS 14 -2.446 -2.801 8.835 1.00 0.00 ATOM 107 CG HIS 14 -3.346 -2.848 10.031 1.00 0.00 ATOM 108 CD2 HIS 14 -4.560 -2.159 10.445 1.00 0.00 ATOM 109 ND1 HIS 14 -3.121 -3.690 11.099 1.00 0.00 ATOM 110 CE1 HIS 14 -4.092 -3.506 12.013 1.00 0.00 ATOM 111 NE2 HIS 14 -4.958 -2.589 11.627 1.00 0.00 ATOM 112 O HIS 14 0.641 -3.540 7.832 1.00 0.00 ATOM 113 C HIS 14 -0.167 -2.598 7.941 1.00 0.00 ATOM 114 N ALA 15 -0.129 -1.666 6.979 1.00 0.00 ATOM 115 CA ALA 15 0.786 -1.797 5.833 1.00 0.00 ATOM 116 CB ALA 15 0.618 -0.621 4.883 1.00 0.00 ATOM 117 O ALA 15 3.122 -2.474 5.749 1.00 0.00 ATOM 118 C ALA 15 2.232 -1.833 6.282 1.00 0.00 ATOM 119 N ARG 16 2.528 -1.104 7.406 1.00 0.00 ATOM 120 CA ARG 16 3.906 -1.105 7.935 1.00 0.00 ATOM 121 CB ARG 16 4.053 -0.067 9.048 1.00 0.00 ATOM 122 CG ARG 16 4.013 1.373 8.564 1.00 0.00 ATOM 123 CD ARG 16 4.081 2.349 9.728 1.00 0.00 ATOM 124 NE ARG 16 4.033 3.739 9.281 1.00 0.00 ATOM 125 CZ ARG 16 3.945 4.784 10.096 1.00 0.00 ATOM 126 NH1 ARG 16 3.908 6.013 9.598 1.00 0.00 ATOM 127 NH2 ARG 16 3.895 4.599 11.409 1.00 0.00 ATOM 128 O ARG 16 5.449 -2.876 8.374 1.00 0.00 ATOM 129 C ARG 16 4.334 -2.455 8.525 1.00 0.00 ATOM 130 N ARG 17 3.371 -3.161 9.098 1.00 0.00 ATOM 131 CA ARG 17 3.572 -4.525 9.576 1.00 0.00 ATOM 132 CB ARG 17 2.318 -5.031 10.293 1.00 0.00 ATOM 133 CG ARG 17 2.067 -4.374 11.640 1.00 0.00 ATOM 134 CD ARG 17 0.771 -4.869 12.262 1.00 0.00 ATOM 135 NE ARG 17 0.500 -4.226 13.546 1.00 0.00 ATOM 136 CZ ARG 17 -0.602 -4.425 14.263 1.00 0.00 ATOM 137 NH1 ARG 17 -0.763 -3.796 15.419 1.00 0.00 ATOM 138 NH2 ARG 17 -1.540 -5.252 13.821 1.00 0.00 ATOM 139 O ARG 17 4.798 -6.167 8.334 1.00 0.00 ATOM 140 C ARG 17 3.864 -5.388 8.344 1.00 0.00 ATOM 141 N ALA 18 3.071 -5.153 7.285 1.00 0.00 ATOM 142 CA ALA 18 3.326 -5.969 6.080 1.00 0.00 ATOM 143 CB ALA 18 2.319 -5.634 4.991 1.00 0.00 ATOM 144 O ALA 18 5.307 -6.668 4.921 1.00 0.00 ATOM 145 C ALA 18 4.699 -5.757 5.488 1.00 0.00 ATOM 146 N ALA 19 5.272 -4.556 5.629 1.00 0.00 ATOM 147 CA ALA 19 6.629 -4.291 5.160 1.00 0.00 ATOM 148 CB ALA 19 7.013 -2.845 5.435 1.00 0.00 ATOM 149 O ALA 19 8.623 -5.641 5.174 1.00 0.00 ATOM 150 C ALA 19 7.683 -5.182 5.849 1.00 0.00 ATOM 151 N GLU 20 7.469 -5.568 7.106 1.00 0.00 ATOM 152 CA GLU 20 8.410 -6.506 7.741 1.00 0.00 ATOM 153 CB GLU 20 8.039 -6.724 9.210 1.00 0.00 ATOM 154 CG GLU 20 8.301 -5.521 10.101 1.00 0.00 ATOM 155 CD GLU 20 7.811 -5.730 11.519 1.00 0.00 ATOM 156 OE1 GLU 20 7.198 -6.786 11.787 1.00 0.00 ATOM 157 OE2 GLU 20 8.037 -4.838 12.364 1.00 0.00 ATOM 158 O GLU 20 9.413 -8.543 7.001 1.00 0.00 ATOM 159 C GLU 20 8.378 -7.860 7.027 1.00 0.00 ATOM 160 N VAL 21 7.176 -8.269 6.569 1.00 0.00 ATOM 161 CA VAL 21 7.084 -9.545 5.861 1.00 0.00 ATOM 162 CB VAL 21 5.619 -9.966 5.643 1.00 0.00 ATOM 163 CG1 VAL 21 5.544 -11.192 4.745 1.00 0.00 ATOM 164 CG2 VAL 21 4.958 -10.303 6.971 1.00 0.00 ATOM 165 O VAL 21 8.449 -10.375 4.047 1.00 0.00 ATOM 166 C VAL 21 7.738 -9.480 4.501 1.00 0.00 ATOM 167 N ALA 22 7.629 -8.355 3.755 1.00 0.00 ATOM 168 CA ALA 22 8.350 -8.176 2.523 1.00 0.00 ATOM 169 CB ALA 22 8.111 -6.780 1.966 1.00 0.00 ATOM 170 O ALA 22 10.524 -9.111 2.023 1.00 0.00 ATOM 171 C ALA 22 9.859 -8.354 2.732 1.00 0.00 ATOM 172 N LYS 23 10.376 -7.729 3.801 1.00 0.00 ATOM 173 CA LYS 23 11.812 -7.860 4.091 1.00 0.00 ATOM 174 CB LYS 23 12.209 -6.949 5.255 1.00 0.00 ATOM 175 CG LYS 23 12.181 -5.467 4.921 1.00 0.00 ATOM 176 CD LYS 23 12.579 -4.623 6.120 1.00 0.00 ATOM 177 CE LYS 23 12.551 -3.140 5.786 1.00 0.00 ATOM 178 NZ LYS 23 12.911 -2.299 6.961 1.00 0.00 ATOM 179 O LYS 23 13.257 -9.778 4.083 1.00 0.00 ATOM 180 C LYS 23 12.195 -9.302 4.476 1.00 0.00 ATOM 181 N ALA 24 11.279 -10.012 5.114 1.00 0.00 ATOM 182 CA ALA 24 11.557 -11.413 5.469 1.00 0.00 ATOM 183 CB ALA 24 10.463 -11.956 6.376 1.00 0.00 ATOM 184 O ALA 24 12.129 -13.415 4.241 1.00 0.00 ATOM 185 C ALA 24 11.624 -12.295 4.246 1.00 0.00 ATOM 186 N GLU 25 11.077 -11.865 3.084 1.00 0.00 ATOM 187 CA GLU 25 11.177 -12.648 1.873 1.00 0.00 ATOM 188 CB GLU 25 10.163 -12.164 0.835 1.00 0.00 ATOM 189 CG GLU 25 8.713 -12.382 1.237 1.00 0.00 ATOM 190 CD GLU 25 8.369 -13.850 1.406 1.00 0.00 ATOM 191 OE1 GLU 25 8.601 -14.627 0.456 1.00 0.00 ATOM 192 OE2 GLU 25 7.869 -14.221 2.489 1.00 0.00 ATOM 193 O GLU 25 12.824 -13.358 0.353 1.00 0.00 ATOM 194 C GLU 25 12.541 -12.559 1.248 1.00 0.00 ATOM 195 N ALA 26 13.438 -11.715 1.786 1.00 0.00 ATOM 196 CA ALA 26 14.735 -11.614 1.129 1.00 0.00 ATOM 197 CB ALA 26 15.500 -10.407 1.648 1.00 0.00 ATOM 198 O ALA 26 15.318 -13.495 2.505 1.00 0.00 ATOM 199 C ALA 26 15.495 -12.905 1.448 1.00 0.00 ATOM 200 N GLU 27 16.191 -13.440 0.479 1.00 0.00 ATOM 201 CA GLU 27 17.092 -14.548 0.455 1.00 0.00 ATOM 202 CB GLU 27 16.546 -15.664 -0.439 1.00 0.00 ATOM 203 CG GLU 27 15.258 -16.291 0.069 1.00 0.00 ATOM 204 CD GLU 27 14.755 -17.398 -0.836 1.00 0.00 ATOM 205 OE1 GLU 27 15.352 -17.605 -1.913 1.00 0.00 ATOM 206 OE2 GLU 27 13.761 -18.059 -0.468 1.00 0.00 ATOM 207 O GLU 27 18.770 -12.907 -0.220 1.00 0.00 ATOM 208 C GLU 27 18.464 -14.101 -0.093 1.00 0.00 ATOM 209 N ALA 28 19.238 -15.052 -0.600 1.00 0.00 ATOM 210 CA ALA 28 20.533 -14.796 -1.213 1.00 0.00 ATOM 211 CB ALA 28 21.430 -16.017 -1.088 1.00 0.00 ATOM 212 O ALA 28 21.349 -13.973 -3.337 1.00 0.00 ATOM 213 C ALA 28 20.407 -14.461 -2.698 1.00 0.00 ATOM 214 N HIS 29 19.232 -14.755 -3.255 1.00 0.00 ATOM 215 CA HIS 29 19.011 -14.577 -4.684 1.00 0.00 ATOM 216 CB HIS 29 17.924 -15.533 -5.180 1.00 0.00 ATOM 217 CG HIS 29 18.332 -16.974 -5.160 1.00 0.00 ATOM 218 CD2 HIS 29 18.093 -18.107 -4.277 1.00 0.00 ATOM 219 ND1 HIS 29 19.126 -17.536 -6.135 1.00 0.00 ATOM 220 CE1 HIS 29 19.318 -18.836 -5.846 1.00 0.00 ATOM 221 NE2 HIS 29 18.702 -19.185 -4.734 1.00 0.00 ATOM 222 O HIS 29 18.239 -12.414 -4.056 1.00 0.00 ATOM 223 C HIS 29 18.570 -13.154 -4.979 1.00 0.00 ATOM 224 N GLY 30 18.633 -12.766 -6.244 1.00 0.00 ATOM 225 CA GLY 30 18.191 -11.436 -6.649 1.00 0.00 ATOM 226 O GLY 30 15.967 -12.231 -7.034 1.00 0.00 ATOM 227 C GLY 30 16.665 -11.362 -6.531 1.00 0.00 ATOM 228 N ALA 31 16.182 -10.373 -5.792 1.00 0.00 ATOM 229 CA ALA 31 14.747 -10.236 -5.598 1.00 0.00 ATOM 230 CB ALA 31 14.376 -10.528 -4.151 1.00 0.00 ATOM 231 O ALA 31 15.185 -7.855 -5.828 1.00 0.00 ATOM 232 C ALA 31 14.384 -8.797 -5.956 1.00 0.00 ATOM 233 N ARG 32 13.108 -8.640 -6.328 1.00 0.00 ATOM 234 CA ARG 32 12.591 -7.362 -6.750 1.00 0.00 ATOM 235 CB ARG 32 12.379 -7.344 -8.266 1.00 0.00 ATOM 236 CG ARG 32 11.811 -6.038 -8.797 1.00 0.00 ATOM 237 CD ARG 32 11.740 -6.044 -10.316 1.00 0.00 ATOM 238 NE ARG 32 11.157 -4.812 -10.842 1.00 0.00 ATOM 239 CZ ARG 32 11.038 -4.535 -12.136 1.00 0.00 ATOM 240 NH1 ARG 32 10.495 -3.388 -12.520 1.00 0.00 ATOM 241 NH2 ARG 32 11.464 -5.404 -13.042 1.00 0.00 ATOM 242 O ARG 32 10.503 -8.019 -5.851 1.00 0.00 ATOM 243 C ARG 32 11.246 -7.044 -6.086 1.00 0.00 ATOM 244 N LEU 33 11.069 -5.806 -5.686 1.00 0.00 ATOM 245 CA LEU 33 9.812 -5.377 -5.101 1.00 0.00 ATOM 246 CB LEU 33 10.041 -4.800 -3.703 1.00 0.00 ATOM 247 CG LEU 33 10.651 -5.750 -2.669 1.00 0.00 ATOM 248 CD1 LEU 33 10.944 -5.013 -1.370 1.00 0.00 ATOM 249 CD2 LEU 33 9.697 -6.893 -2.362 1.00 0.00 ATOM 250 O LEU 33 9.821 -3.274 -6.416 1.00 0.00 ATOM 251 C LEU 33 9.228 -4.309 -6.023 1.00 0.00 ATOM 252 N ILE 34 7.962 -4.552 -6.401 1.00 0.00 ATOM 253 CA ILE 34 7.177 -3.476 -7.006 1.00 0.00 ATOM 254 CB ILE 34 6.137 -4.026 -7.999 1.00 0.00 ATOM 255 CG1 ILE 34 6.817 -4.886 -9.065 1.00 0.00 ATOM 256 CG2 ILE 34 5.407 -2.886 -8.693 1.00 0.00 ATOM 257 CD1 ILE 34 7.866 -4.147 -9.868 1.00 0.00 ATOM 258 O ILE 34 5.631 -3.332 -5.141 1.00 0.00 ATOM 259 C ILE 34 6.489 -2.769 -5.865 1.00 0.00 ATOM 260 N VAL 35 6.863 -1.521 -5.580 1.00 0.00 ATOM 261 CA VAL 35 6.335 -0.774 -4.465 1.00 0.00 ATOM 262 CB VAL 35 7.434 0.047 -3.764 1.00 0.00 ATOM 263 CG1 VAL 35 6.849 0.850 -2.614 1.00 0.00 ATOM 264 CG2 VAL 35 8.511 -0.871 -3.210 1.00 0.00 ATOM 265 O VAL 35 5.638 0.974 -5.874 1.00 0.00 ATOM 266 C VAL 35 5.272 0.163 -5.015 1.00 0.00 ATOM 267 N VAL 36 4.008 -0.050 -4.629 1.00 0.00 ATOM 268 CA VAL 36 2.927 0.696 -5.282 1.00 0.00 ATOM 269 CB VAL 36 2.007 -0.237 -6.092 1.00 0.00 ATOM 270 CG1 VAL 36 0.868 0.553 -6.718 1.00 0.00 ATOM 271 CG2 VAL 36 2.788 -0.919 -7.204 1.00 0.00 ATOM 272 O VAL 36 1.556 0.974 -3.256 1.00 0.00 ATOM 273 C VAL 36 2.034 1.435 -4.314 1.00 0.00 ATOM 274 N HIS 37 1.715 2.693 -4.639 1.00 0.00 ATOM 275 CA HIS 37 0.788 3.509 -3.932 1.00 0.00 ATOM 276 CB HIS 37 1.500 4.703 -3.296 1.00 0.00 ATOM 277 CG HIS 37 0.590 5.616 -2.537 1.00 0.00 ATOM 278 CD2 HIS 37 0.069 6.962 -2.734 1.00 0.00 ATOM 279 ND1 HIS 37 0.011 5.263 -1.338 1.00 0.00 ATOM 280 CE1 HIS 37 -0.750 6.283 -0.900 1.00 0.00 ATOM 281 NE2 HIS 37 -0.720 7.305 -1.734 1.00 0.00 ATOM 282 O HIS 37 0.086 4.489 -5.973 1.00 0.00 ATOM 283 C HIS 37 -0.300 4.046 -4.876 1.00 0.00 ATOM 284 N ALA 38 -1.555 3.790 -4.609 1.00 0.00 ATOM 285 CA ALA 38 -2.637 4.320 -5.446 1.00 0.00 ATOM 286 CB ALA 38 -3.693 3.252 -5.688 1.00 0.00 ATOM 287 O ALA 38 -3.819 5.428 -3.633 1.00 0.00 ATOM 288 C ALA 38 -3.271 5.502 -4.736 1.00 0.00 ATOM 289 N TYR 39 -3.348 6.654 -5.449 1.00 0.00 ATOM 290 CA TYR 39 -4.130 7.784 -4.930 1.00 0.00 ATOM 291 CB TYR 39 -3.606 9.104 -5.500 1.00 0.00 ATOM 292 CG TYR 39 -4.331 10.325 -4.982 1.00 0.00 ATOM 293 CD1 TYR 39 -4.067 10.824 -3.712 1.00 0.00 ATOM 294 CD2 TYR 39 -5.278 10.975 -5.763 1.00 0.00 ATOM 295 CE1 TYR 39 -4.724 11.940 -3.230 1.00 0.00 ATOM 296 CE2 TYR 39 -5.946 12.093 -5.297 1.00 0.00 ATOM 297 CZ TYR 39 -5.661 12.572 -4.020 1.00 0.00 ATOM 298 OH TYR 39 -6.317 13.682 -3.542 1.00 0.00 ATOM 299 O TYR 39 -5.909 7.507 -6.526 1.00 0.00 ATOM 300 C TYR 39 -5.587 7.576 -5.354 1.00 0.00 ATOM 301 N GLU 40 -6.468 7.408 -4.350 1.00 0.00 ATOM 302 CA GLU 40 -7.834 6.968 -4.702 1.00 0.00 ATOM 303 CB GLU 40 -8.585 6.505 -3.451 1.00 0.00 ATOM 304 CG GLU 40 -9.956 5.913 -3.735 1.00 0.00 ATOM 305 CD GLU 40 -10.659 5.443 -2.478 1.00 0.00 ATOM 306 OE1 GLU 40 -10.049 5.525 -1.390 1.00 0.00 ATOM 307 OE2 GLU 40 -11.819 4.993 -2.578 1.00 0.00 ATOM 308 O GLU 40 -8.872 9.144 -4.719 1.00 0.00 ATOM 309 C GLU 40 -8.626 8.095 -5.339 1.00 0.00 ATOM 310 N PRO 41 -8.986 7.879 -6.593 1.00 0.00 ATOM 311 CA PRO 41 -9.661 8.934 -7.358 1.00 0.00 ATOM 312 CB PRO 41 -9.767 8.356 -8.771 1.00 0.00 ATOM 313 CG PRO 41 -9.737 6.877 -8.574 1.00 0.00 ATOM 314 CD PRO 41 -8.821 6.632 -7.407 1.00 0.00 ATOM 315 O PRO 41 -11.554 10.385 -7.001 1.00 0.00 ATOM 316 C PRO 41 -11.034 9.271 -6.814 1.00 0.00 ATOM 317 N VAL 42 -11.653 8.328 -6.116 1.00 0.00 ATOM 318 CA VAL 42 -12.969 8.502 -5.547 1.00 0.00 ATOM 319 CB VAL 42 -13.545 7.168 -5.037 1.00 0.00 ATOM 320 CG1 VAL 42 -14.854 7.401 -4.296 1.00 0.00 ATOM 321 CG2 VAL 42 -13.811 6.223 -6.198 1.00 0.00 ATOM 322 O VAL 42 -13.964 10.021 -4.050 1.00 0.00 ATOM 323 C VAL 42 -12.917 9.473 -4.372 1.00 0.00 ATOM 324 N PRO 43 -11.762 9.745 -3.780 1.00 0.00 ATOM 325 CA PRO 43 -11.650 10.667 -2.661 1.00 0.00 ATOM 326 CB PRO 43 -10.597 10.023 -1.755 1.00 0.00 ATOM 327 CG PRO 43 -9.615 9.414 -2.699 1.00 0.00 ATOM 328 CD PRO 43 -10.417 8.905 -3.863 1.00 0.00 ATOM 329 O PRO 43 -11.152 13.007 -2.285 1.00 0.00 ATOM 330 C PRO 43 -11.213 12.065 -3.083 1.00 0.00 ATOM 334 N GLU 48 -12.224 22.909 -9.301 1.00 0.00 ATOM 335 CA GLU 48 -11.367 22.071 -10.139 1.00 0.00 ATOM 336 CB GLU 48 -11.621 22.361 -11.621 1.00 0.00 ATOM 337 CG GLU 48 -12.963 21.860 -12.128 1.00 0.00 ATOM 338 CD GLU 48 -13.220 22.246 -13.573 1.00 0.00 ATOM 339 OE1 GLU 48 -12.379 22.963 -14.154 1.00 0.00 ATOM 340 OE2 GLU 48 -14.262 21.830 -14.122 1.00 0.00 ATOM 341 O GLU 48 -9.018 21.527 -9.865 1.00 0.00 ATOM 342 C GLU 48 -9.903 22.374 -9.811 1.00 0.00 ATOM 343 N PRO 49 -9.684 23.608 -9.365 1.00 0.00 ATOM 344 CA PRO 49 -8.383 24.059 -8.892 1.00 0.00 ATOM 345 CB PRO 49 -8.480 25.586 -8.942 1.00 0.00 ATOM 346 CG PRO 49 -9.932 25.873 -8.759 1.00 0.00 ATOM 347 CD PRO 49 -10.668 24.751 -9.436 1.00 0.00 ATOM 348 O PRO 49 -7.036 23.376 -7.011 1.00 0.00 ATOM 349 C PRO 49 -8.165 23.534 -7.473 1.00 0.00 ATOM 350 N PHE 50 -9.267 23.224 -6.792 1.00 0.00 ATOM 351 CA PHE 50 -9.260 22.623 -5.473 1.00 0.00 ATOM 352 CB PHE 50 -10.663 22.653 -4.863 1.00 0.00 ATOM 353 CG PHE 50 -10.738 22.062 -3.484 1.00 0.00 ATOM 354 CD1 PHE 50 -10.298 22.777 -2.384 1.00 0.00 ATOM 355 CD2 PHE 50 -11.248 20.792 -3.288 1.00 0.00 ATOM 356 CE1 PHE 50 -10.366 22.233 -1.116 1.00 0.00 ATOM 357 CE2 PHE 50 -11.316 20.247 -2.020 1.00 0.00 ATOM 358 CZ PHE 50 -10.878 20.962 -0.935 1.00 0.00 ATOM 359 O PHE 50 -8.039 20.710 -4.725 1.00 0.00 ATOM 360 C PHE 50 -8.797 21.168 -5.571 1.00 0.00 ATOM 361 N PHE 51 -9.255 20.478 -6.606 1.00 0.00 ATOM 362 CA PHE 51 -8.898 19.097 -6.869 1.00 0.00 ATOM 363 CB PHE 51 -9.663 18.568 -8.083 1.00 0.00 ATOM 364 CG PHE 51 -9.318 17.152 -8.447 1.00 0.00 ATOM 365 CD1 PHE 51 -9.862 16.090 -7.747 1.00 0.00 ATOM 366 CD2 PHE 51 -8.449 16.881 -9.490 1.00 0.00 ATOM 367 CE1 PHE 51 -9.545 14.787 -8.081 1.00 0.00 ATOM 368 CE2 PHE 51 -8.132 15.579 -9.824 1.00 0.00 ATOM 369 CZ PHE 51 -8.675 14.533 -9.125 1.00 0.00 ATOM 370 O PHE 51 -6.721 18.111 -6.573 1.00 0.00 ATOM 371 C PHE 51 -7.407 18.944 -7.154 1.00 0.00 ATOM 372 N GLU 52 -6.928 19.785 -8.074 1.00 0.00 ATOM 373 CA GLU 52 -5.525 19.789 -8.463 1.00 0.00 ATOM 374 CB GLU 52 -5.267 20.854 -9.530 1.00 0.00 ATOM 375 CG GLU 52 -5.866 20.530 -10.889 1.00 0.00 ATOM 376 CD GLU 52 -5.699 21.661 -11.884 1.00 0.00 ATOM 377 OE1 GLU 52 -5.180 22.727 -11.491 1.00 0.00 ATOM 378 OE2 GLU 52 -6.085 21.481 -13.059 1.00 0.00 ATOM 379 O GLU 52 -3.621 19.435 -7.062 1.00 0.00 ATOM 380 C GLU 52 -4.645 20.088 -7.258 1.00 0.00 ATOM 381 N GLU 53 -5.047 21.045 -6.437 1.00 0.00 ATOM 382 CA GLU 53 -4.346 21.377 -5.210 1.00 0.00 ATOM 383 CB GLU 53 -5.061 22.513 -4.476 1.00 0.00 ATOM 384 CG GLU 53 -4.369 22.960 -3.198 1.00 0.00 ATOM 385 CD GLU 53 -5.086 24.107 -2.517 1.00 0.00 ATOM 386 OE1 GLU 53 -6.118 24.565 -3.052 1.00 0.00 ATOM 387 OE2 GLU 53 -4.616 24.551 -1.449 1.00 0.00 ATOM 388 O GLU 53 -3.239 19.861 -3.722 1.00 0.00 ATOM 389 C GLU 53 -4.294 20.151 -4.287 1.00 0.00 ATOM 390 N ALA 54 -5.421 19.473 -4.129 1.00 0.00 ATOM 391 CA ALA 54 -5.464 18.275 -3.293 1.00 0.00 ATOM 392 CB ALA 54 -6.891 17.757 -3.182 1.00 0.00 ATOM 393 O ALA 54 -3.788 16.565 -3.210 1.00 0.00 ATOM 394 C ALA 54 -4.591 17.175 -3.901 1.00 0.00 ATOM 395 N LEU 55 -4.728 16.960 -5.199 1.00 0.00 ATOM 396 CA LEU 55 -3.948 16.014 -5.965 1.00 0.00 ATOM 397 CB LEU 55 -4.250 16.154 -7.458 1.00 0.00 ATOM 398 CG LEU 55 -3.484 15.218 -8.395 1.00 0.00 ATOM 399 CD1 LEU 55 -3.836 13.766 -8.109 1.00 0.00 ATOM 400 CD2 LEU 55 -3.828 15.513 -9.847 1.00 0.00 ATOM 401 O LEU 55 -1.715 15.225 -5.642 1.00 0.00 ATOM 402 C LEU 55 -2.444 16.208 -5.789 1.00 0.00 ATOM 403 N ARG 56 -1.991 17.457 -5.908 1.00 0.00 ATOM 404 CA ARG 56 -0.588 17.779 -5.762 1.00 0.00 ATOM 405 CB ARG 56 -0.353 19.270 -6.014 1.00 0.00 ATOM 406 CG ARG 56 -0.512 19.686 -7.467 1.00 0.00 ATOM 407 CD ARG 56 -0.338 21.187 -7.634 1.00 0.00 ATOM 408 NE ARG 56 -0.515 21.608 -9.022 1.00 0.00 ATOM 409 CZ ARG 56 -0.487 22.873 -9.428 1.00 0.00 ATOM 410 NH1 ARG 56 -0.659 23.162 -10.711 1.00 0.00 ATOM 411 NH2 ARG 56 -0.288 23.847 -8.550 1.00 0.00 ATOM 412 O ARG 56 1.058 17.019 -4.229 1.00 0.00 ATOM 413 C ARG 56 -0.073 17.460 -4.365 1.00 0.00 ATOM 414 N ARG 57 -0.886 17.838 -3.371 1.00 0.00 ATOM 415 CA ARG 57 -0.474 17.574 -1.995 1.00 0.00 ATOM 416 CB ARG 57 -1.472 18.186 -1.010 1.00 0.00 ATOM 417 CG ARG 57 -1.437 19.705 -0.952 1.00 0.00 ATOM 418 CD ARG 57 -2.501 20.246 -0.011 1.00 0.00 ATOM 419 NE ARG 57 -2.498 21.706 0.035 1.00 0.00 ATOM 420 CZ ARG 57 -3.373 22.433 0.722 1.00 0.00 ATOM 421 NH1 ARG 57 -3.294 23.757 0.706 1.00 0.00 ATOM 422 NH2 ARG 57 -4.327 21.835 1.422 1.00 0.00 ATOM 423 O ARG 57 0.634 15.619 -1.320 1.00 0.00 ATOM 424 C ARG 57 -0.412 16.050 -1.777 1.00 0.00 ATOM 425 N ARG 58 -1.388 15.306 -2.284 1.00 0.00 ATOM 426 CA ARG 58 -1.325 13.846 -2.121 1.00 0.00 ATOM 427 CB ARG 58 -2.589 13.190 -2.680 1.00 0.00 ATOM 428 CG ARG 58 -3.863 13.560 -1.936 1.00 0.00 ATOM 429 CD ARG 58 -3.865 12.989 -0.528 1.00 0.00 ATOM 430 NE ARG 58 -5.128 13.239 0.161 1.00 0.00 ATOM 431 CZ ARG 58 -5.351 12.953 1.441 1.00 0.00 ATOM 432 NH1 ARG 58 -6.533 13.217 1.983 1.00 0.00 ATOM 433 NH2 ARG 58 -4.391 12.408 2.174 1.00 0.00 ATOM 434 O ARG 58 0.574 12.413 -2.308 1.00 0.00 ATOM 435 C ARG 58 -0.134 13.263 -2.849 1.00 0.00 ATOM 436 N LEU 59 0.172 13.737 -4.075 1.00 0.00 ATOM 437 CA LEU 59 1.318 13.206 -4.805 1.00 0.00 ATOM 438 CB LEU 59 1.390 13.816 -6.207 1.00 0.00 ATOM 439 CG LEU 59 0.294 13.391 -7.188 1.00 0.00 ATOM 440 CD1 LEU 59 0.377 14.203 -8.471 1.00 0.00 ATOM 441 CD2 LEU 59 0.435 11.919 -7.546 1.00 0.00 ATOM 442 O LEU 59 3.518 12.679 -4.065 1.00 0.00 ATOM 443 C LEU 59 2.621 13.514 -4.099 1.00 0.00 ATOM 444 N GLU 60 2.732 14.782 -3.642 1.00 0.00 ATOM 445 CA GLU 60 3.924 15.187 -2.908 1.00 0.00 ATOM 446 CB GLU 60 3.814 16.651 -2.475 1.00 0.00 ATOM 447 CG GLU 60 5.039 17.174 -1.740 1.00 0.00 ATOM 448 CD GLU 60 4.908 18.635 -1.357 1.00 0.00 ATOM 449 OE1 GLU 60 3.865 19.242 -1.680 1.00 0.00 ATOM 450 OE2 GLU 60 5.848 19.172 -0.736 1.00 0.00 ATOM 451 O GLU 60 5.219 13.826 -1.428 1.00 0.00 ATOM 452 C GLU 60 4.118 14.334 -1.650 1.00 0.00 ATOM 453 N ARG 61 3.057 14.147 -0.894 1.00 0.00 ATOM 454 CA ARG 61 3.134 13.371 0.343 1.00 0.00 ATOM 455 CB ARG 61 1.809 13.444 1.105 1.00 0.00 ATOM 456 CG ARG 61 1.525 14.800 1.729 1.00 0.00 ATOM 457 CD ARG 61 0.161 14.824 2.401 1.00 0.00 ATOM 458 NE ARG 61 -0.129 16.123 3.002 1.00 0.00 ATOM 459 CZ ARG 61 -1.283 16.436 3.583 1.00 0.00 ATOM 460 NH1 ARG 61 -1.457 17.644 4.103 1.00 0.00 ATOM 461 NH2 ARG 61 -2.259 15.542 3.641 1.00 0.00 ATOM 462 O ARG 61 4.358 11.346 0.605 1.00 0.00 ATOM 463 C ARG 61 3.435 11.912 0.019 1.00 0.00 ATOM 464 N ALA 62 2.810 11.375 -1.047 1.00 0.00 ATOM 465 CA ALA 62 3.156 10.007 -1.434 1.00 0.00 ATOM 466 CB ALA 62 2.329 9.569 -2.633 1.00 0.00 ATOM 467 O ALA 62 5.252 8.822 -1.460 1.00 0.00 ATOM 468 C ALA 62 4.599 9.804 -1.822 1.00 0.00 ATOM 469 N GLU 63 5.194 10.700 -2.628 1.00 0.00 ATOM 470 CA GLU 63 6.580 10.599 -3.048 1.00 0.00 ATOM 471 CB GLU 63 6.942 11.757 -3.980 1.00 0.00 ATOM 472 CG GLU 63 6.295 11.676 -5.353 1.00 0.00 ATOM 473 CD GLU 63 6.577 12.897 -6.205 1.00 0.00 ATOM 474 OE1 GLU 63 7.216 13.842 -5.696 1.00 0.00 ATOM 475 OE2 GLU 63 6.158 12.911 -7.382 1.00 0.00 ATOM 476 O GLU 63 8.548 9.930 -1.895 1.00 0.00 ATOM 477 C GLU 63 7.554 10.640 -1.859 1.00 0.00 ATOM 478 N GLY 64 7.264 11.448 -0.863 1.00 0.00 ATOM 479 CA GLY 64 8.128 11.539 0.316 1.00 0.00 ATOM 480 O GLY 64 9.144 9.724 1.483 1.00 0.00 ATOM 481 C GLY 64 8.092 10.249 1.135 1.00 0.00 ATOM 482 N VAL 65 6.891 9.697 1.327 1.00 0.00 ATOM 483 CA VAL 65 6.791 8.416 2.036 1.00 0.00 ATOM 484 CB VAL 65 5.325 8.054 2.342 1.00 0.00 ATOM 485 CG1 VAL 65 5.232 6.643 2.903 1.00 0.00 ATOM 486 CG2 VAL 65 4.741 9.016 3.363 1.00 0.00 ATOM 487 O VAL 65 8.060 6.419 1.815 1.00 0.00 ATOM 488 C VAL 65 7.371 7.283 1.232 1.00 0.00 ATOM 489 N LEU 66 7.194 7.253 -0.083 1.00 0.00 ATOM 490 CA LEU 66 7.679 6.152 -0.930 1.00 0.00 ATOM 491 CB LEU 66 7.122 6.283 -2.350 1.00 0.00 ATOM 492 CG LEU 66 7.432 5.131 -3.308 1.00 0.00 ATOM 493 CD1 LEU 66 6.868 3.822 -2.776 1.00 0.00 ATOM 494 CD2 LEU 66 6.819 5.391 -4.675 1.00 0.00 ATOM 495 O LEU 66 9.917 5.165 -0.945 1.00 0.00 ATOM 496 C LEU 66 9.197 6.148 -1.023 1.00 0.00 ATOM 497 N GLU 67 9.823 7.354 -1.024 1.00 0.00 ATOM 498 CA GLU 67 11.286 7.428 -1.050 1.00 0.00 ATOM 499 CB GLU 67 11.750 8.884 -1.001 1.00 0.00 ATOM 500 CG GLU 67 11.475 9.665 -2.275 1.00 0.00 ATOM 501 CD GLU 67 11.835 11.134 -2.148 1.00 0.00 ATOM 502 OE1 GLU 67 12.230 11.554 -1.041 1.00 0.00 ATOM 503 OE2 GLU 67 11.721 11.863 -3.156 1.00 0.00 ATOM 504 O GLU 67 12.949 5.995 -0.035 1.00 0.00 ATOM 505 C GLU 67 11.960 6.712 0.124 1.00 0.00 ATOM 506 N GLU 68 11.424 6.873 1.322 1.00 0.00 ATOM 507 CA GLU 68 11.971 6.234 2.510 1.00 0.00 ATOM 508 CB GLU 68 11.321 6.803 3.773 1.00 0.00 ATOM 509 CG GLU 68 11.715 8.237 4.082 1.00 0.00 ATOM 510 CD GLU 68 10.958 8.807 5.265 1.00 0.00 ATOM 511 OE1 GLU 68 10.075 8.106 5.800 1.00 0.00 ATOM 512 OE2 GLU 68 11.251 9.956 5.659 1.00 0.00 ATOM 513 O GLU 68 12.700 3.988 2.828 1.00 0.00 ATOM 514 C GLU 68 11.756 4.728 2.542 1.00 0.00 ATOM 515 N ALA 69 10.566 4.291 2.080 1.00 0.00 ATOM 516 CA ALA 69 10.361 2.823 1.989 1.00 0.00 ATOM 517 CB ALA 69 8.927 2.511 1.589 1.00 0.00 ATOM 518 O ALA 69 11.813 1.109 1.141 1.00 0.00 ATOM 519 C ALA 69 11.269 2.215 0.976 1.00 0.00 ATOM 520 N ARG 70 11.440 2.854 -0.205 1.00 0.00 ATOM 521 CA ARG 70 12.301 2.386 -1.250 1.00 0.00 ATOM 522 CB ARG 70 12.335 3.389 -2.404 1.00 0.00 ATOM 523 CG ARG 70 13.198 2.955 -3.579 1.00 0.00 ATOM 524 CD ARG 70 13.097 3.940 -4.733 1.00 0.00 ATOM 525 NE ARG 70 13.953 3.559 -5.854 1.00 0.00 ATOM 526 CZ ARG 70 14.088 4.272 -6.966 1.00 0.00 ATOM 527 NH1 ARG 70 14.890 3.848 -7.935 1.00 0.00 ATOM 528 NH2 ARG 70 13.423 5.412 -7.108 1.00 0.00 ATOM 529 O ARG 70 14.341 1.166 -0.950 1.00 0.00 ATOM 530 C ARG 70 13.733 2.196 -0.739 1.00 0.00 ATOM 531 N ALA 71 14.237 3.160 0.033 1.00 0.00 ATOM 532 CA ALA 71 15.632 3.022 0.503 1.00 0.00 ATOM 533 CB ALA 71 16.096 4.306 1.174 1.00 0.00 ATOM 534 O ALA 71 16.752 1.122 1.466 1.00 0.00 ATOM 535 C ALA 71 15.776 1.890 1.509 1.00 0.00 ATOM 536 N LEU 72 14.753 1.772 2.374 1.00 0.00 ATOM 537 CA LEU 72 14.773 0.705 3.397 1.00 0.00 ATOM 538 CB LEU 72 13.564 0.830 4.325 1.00 0.00 ATOM 539 CG LEU 72 13.428 2.150 5.088 1.00 0.00 ATOM 540 CD1 LEU 72 12.126 2.185 5.873 1.00 0.00 ATOM 541 CD2 LEU 72 14.578 2.327 6.067 1.00 0.00 ATOM 542 O LEU 72 15.467 -1.580 3.042 1.00 0.00 ATOM 543 C LEU 72 14.733 -0.640 2.723 1.00 0.00 ATOM 544 N THR 73 18.236 -3.691 2.144 1.00 0.00 ATOM 545 CA THR 73 18.289 -5.117 2.459 1.00 0.00 ATOM 546 CB THR 73 16.962 -5.612 3.063 1.00 0.00 ATOM 547 CG2 THR 73 16.669 -4.890 4.370 1.00 0.00 ATOM 548 OG1 THR 73 15.893 -5.359 2.144 1.00 0.00 ATOM 549 O THR 73 18.651 -7.119 1.146 1.00 0.00 ATOM 550 C THR 73 18.566 -5.888 1.175 1.00 0.00 ATOM 551 N GLY 74 18.777 -5.175 0.073 1.00 0.00 ATOM 552 CA GLY 74 19.211 -5.703 -1.178 1.00 0.00 ATOM 553 O GLY 74 18.460 -6.601 -3.196 1.00 0.00 ATOM 554 C GLY 74 18.142 -5.925 -2.238 1.00 0.00 ATOM 555 N VAL 75 16.952 -5.340 -2.057 1.00 0.00 ATOM 556 CA VAL 75 16.000 -5.556 -3.178 1.00 0.00 ATOM 557 CB VAL 75 14.542 -5.334 -2.731 1.00 0.00 ATOM 558 CG1 VAL 75 13.603 -5.402 -3.927 1.00 0.00 ATOM 559 CG2 VAL 75 14.124 -6.399 -1.730 1.00 0.00 ATOM 560 O VAL 75 16.660 -3.464 -4.027 1.00 0.00 ATOM 561 C VAL 75 16.278 -4.601 -4.323 1.00 0.00 ATOM 562 N PRO 76 15.921 -4.943 -5.553 1.00 0.00 ATOM 563 CA PRO 76 15.761 -3.934 -6.621 1.00 0.00 ATOM 564 CB PRO 76 15.992 -4.721 -7.912 1.00 0.00 ATOM 565 CG PRO 76 15.527 -6.103 -7.594 1.00 0.00 ATOM 566 CD PRO 76 15.793 -6.307 -6.129 1.00 0.00 ATOM 567 O PRO 76 13.469 -4.286 -6.272 1.00 0.00 ATOM 568 C PRO 76 14.322 -3.405 -6.458 1.00 0.00 ATOM 569 N LYS 77 14.068 -2.113 -6.424 1.00 0.00 ATOM 570 CA LYS 77 12.705 -1.641 -6.174 1.00 0.00 ATOM 571 CB LYS 77 12.669 -0.741 -4.937 1.00 0.00 ATOM 572 CG LYS 77 12.993 -1.459 -3.636 1.00 0.00 ATOM 573 CD LYS 77 12.853 -0.529 -2.442 1.00 0.00 ATOM 574 CE LYS 77 13.214 -1.237 -1.147 1.00 0.00 ATOM 575 NZ LYS 77 13.057 -0.345 0.035 1.00 0.00 ATOM 576 O LYS 77 12.897 0.059 -7.886 1.00 0.00 ATOM 577 C LYS 77 12.210 -0.846 -7.376 1.00 0.00 ATOM 581 N ASP 79 11.024 -1.191 -7.881 1.00 0.00 ATOM 582 CA ASP 79 10.365 -0.401 -8.936 1.00 0.00 ATOM 583 CB ASP 79 9.879 -1.313 -10.064 1.00 0.00 ATOM 584 CG ASP 79 9.229 -0.544 -11.197 1.00 0.00 ATOM 585 OD1 ASP 79 9.073 0.688 -11.066 1.00 0.00 ATOM 586 OD2 ASP 79 8.876 -1.173 -12.216 1.00 0.00 ATOM 587 O ASP 79 8.206 -0.372 -7.853 1.00 0.00 ATOM 588 C ASP 79 9.195 0.299 -8.272 1.00 0.00 ATOM 589 N ALA 80 9.274 1.571 -7.973 1.00 0.00 ATOM 590 CA ALA 80 8.292 2.385 -7.292 1.00 0.00 ATOM 591 CB ALA 80 8.973 3.522 -6.544 1.00 0.00 ATOM 592 O ALA 80 7.649 3.501 -9.324 1.00 0.00 ATOM 593 C ALA 80 7.288 3.002 -8.272 1.00 0.00 ATOM 594 N LEU 81 5.999 2.830 -7.991 1.00 0.00 ATOM 595 CA LEU 81 4.899 3.278 -8.863 1.00 0.00 ATOM 596 CB LEU 81 4.246 2.083 -9.561 1.00 0.00 ATOM 597 CG LEU 81 3.044 2.393 -10.454 1.00 0.00 ATOM 598 CD1 LEU 81 3.467 3.207 -11.665 1.00 0.00 ATOM 599 CD2 LEU 81 2.395 1.108 -10.946 1.00 0.00 ATOM 600 O LEU 81 3.290 3.629 -7.006 1.00 0.00 ATOM 601 C LEU 81 3.834 3.995 -8.074 1.00 0.00 ATOM 602 N LEU 82 3.410 5.182 -8.596 1.00 0.00 ATOM 603 CA LEU 82 2.352 5.960 -8.028 1.00 0.00 ATOM 604 CB LEU 82 2.887 7.299 -7.515 1.00 0.00 ATOM 605 CG LEU 82 3.952 7.229 -6.421 1.00 0.00 ATOM 606 CD1 LEU 82 4.488 8.615 -6.102 1.00 0.00 ATOM 607 CD2 LEU 82 3.373 6.638 -5.144 1.00 0.00 ATOM 608 O LEU 82 1.752 6.567 -10.256 1.00 0.00 ATOM 609 C LEU 82 1.350 6.161 -9.182 1.00 0.00 ATOM 610 N LEU 83 0.099 5.833 -8.930 1.00 0.00 ATOM 611 CA LEU 83 -0.969 6.000 -9.889 1.00 0.00 ATOM 612 CB LEU 83 -1.332 4.658 -10.526 1.00 0.00 ATOM 613 CG LEU 83 -0.247 3.998 -11.381 1.00 0.00 ATOM 614 CD1 LEU 83 -0.650 2.583 -11.765 1.00 0.00 ATOM 615 CD2 LEU 83 -0.014 4.790 -12.659 1.00 0.00 ATOM 616 O LEU 83 -2.438 6.429 -7.978 1.00 0.00 ATOM 617 C LEU 83 -2.189 6.557 -9.192 1.00 0.00 ATOM 618 N GLU 84 -2.982 7.277 -9.964 1.00 0.00 ATOM 619 CA GLU 84 -4.284 7.792 -9.471 1.00 0.00 ATOM 620 CB GLU 84 -4.485 9.244 -9.908 1.00 0.00 ATOM 621 CG GLU 84 -5.803 9.853 -9.453 1.00 0.00 ATOM 622 CD GLU 84 -5.973 11.286 -9.915 1.00 0.00 ATOM 623 OE1 GLU 84 -5.062 11.803 -10.595 1.00 0.00 ATOM 624 OE2 GLU 84 -7.019 11.892 -9.600 1.00 0.00 ATOM 625 O GLU 84 -5.465 6.635 -11.258 1.00 0.00 ATOM 626 C GLU 84 -5.358 6.911 -10.068 1.00 0.00 ATOM 627 N GLY 85 -6.199 6.285 -9.207 1.00 0.00 ATOM 628 CA GLY 85 -7.247 5.416 -9.740 1.00 0.00 ATOM 629 O GLY 85 -8.112 5.332 -7.530 1.00 0.00 ATOM 630 C GLY 85 -8.020 4.749 -8.611 1.00 0.00 ATOM 631 N VAL 86 -8.543 3.548 -8.869 1.00 0.00 ATOM 632 CA VAL 86 -9.276 2.843 -7.783 1.00 0.00 ATOM 633 CB VAL 86 -10.533 2.133 -8.319 1.00 0.00 ATOM 634 CG1 VAL 86 -11.242 1.388 -7.199 1.00 0.00 ATOM 635 CG2 VAL 86 -11.503 3.145 -8.912 1.00 0.00 ATOM 636 O VAL 86 -7.841 0.940 -7.947 1.00 0.00 ATOM 637 C VAL 86 -8.314 1.807 -7.187 1.00 0.00 ATOM 638 N PRO 87 -7.962 1.872 -5.910 1.00 0.00 ATOM 639 CA PRO 87 -6.891 1.067 -5.342 1.00 0.00 ATOM 640 CB PRO 87 -7.032 1.273 -3.833 1.00 0.00 ATOM 641 CG PRO 87 -7.595 2.649 -3.694 1.00 0.00 ATOM 642 CD PRO 87 -8.618 2.792 -4.786 1.00 0.00 ATOM 643 O PRO 87 -5.979 -0.963 -6.191 1.00 0.00 ATOM 644 C PRO 87 -6.958 -0.414 -5.664 1.00 0.00 ATOM 645 N ALA 88 -8.083 -1.102 -5.390 1.00 0.00 ATOM 646 CA ALA 88 -8.082 -2.554 -5.635 1.00 0.00 ATOM 647 CB ALA 88 -9.391 -3.172 -5.169 1.00 0.00 ATOM 648 O ALA 88 -7.254 -3.855 -7.514 1.00 0.00 ATOM 649 C ALA 88 -7.916 -2.895 -7.117 1.00 0.00 ATOM 650 N GLU 89 -8.465 -2.058 -7.998 1.00 0.00 ATOM 651 CA GLU 89 -8.347 -2.336 -9.420 1.00 0.00 ATOM 652 CB GLU 89 -9.231 -1.381 -10.225 1.00 0.00 ATOM 653 CG GLU 89 -10.720 -1.631 -10.068 1.00 0.00 ATOM 654 CD GLU 89 -11.565 -0.595 -10.780 1.00 0.00 ATOM 655 OE1 GLU 89 -10.986 0.361 -11.339 1.00 0.00 ATOM 656 OE2 GLU 89 -12.806 -0.735 -10.781 1.00 0.00 ATOM 657 O GLU 89 -6.424 -2.960 -10.753 1.00 0.00 ATOM 658 C GLU 89 -6.903 -2.169 -9.921 1.00 0.00 ATOM 659 N ALA 90 -6.285 -1.099 -9.495 1.00 0.00 ATOM 660 CA ALA 90 -4.879 -0.815 -9.851 1.00 0.00 ATOM 661 CB ALA 90 -4.456 0.538 -9.298 1.00 0.00 ATOM 662 O ALA 90 -2.992 -2.282 -9.985 1.00 0.00 ATOM 663 C ALA 90 -3.917 -1.845 -9.302 1.00 0.00 ATOM 664 N ILE 91 -4.203 -2.395 -8.112 1.00 0.00 ATOM 665 CA ILE 91 -3.305 -3.418 -7.516 1.00 0.00 ATOM 666 CB ILE 91 -3.671 -3.705 -6.049 1.00 0.00 ATOM 667 CG1 ILE 91 -3.381 -2.482 -5.177 1.00 0.00 ATOM 668 CG2 ILE 91 -2.862 -4.879 -5.518 1.00 0.00 ATOM 669 CD1 ILE 91 -3.952 -2.580 -3.778 1.00 0.00 ATOM 670 O ILE 91 -2.475 -5.339 -8.695 1.00 0.00 ATOM 671 C ILE 91 -3.435 -4.711 -8.322 1.00 0.00 ATOM 672 N LEU 92 -4.657 -5.112 -8.721 1.00 0.00 ATOM 673 CA LEU 92 -4.881 -6.300 -9.540 1.00 0.00 ATOM 674 CB LEU 92 -6.378 -6.516 -9.773 1.00 0.00 ATOM 675 CG LEU 92 -6.763 -7.721 -10.634 1.00 0.00 ATOM 676 CD1 LEU 92 -6.302 -9.017 -9.982 1.00 0.00 ATOM 677 CD2 LEU 92 -8.271 -7.792 -10.816 1.00 0.00 ATOM 678 O LEU 92 -3.507 -7.053 -11.390 1.00 0.00 ATOM 679 C LEU 92 -4.190 -6.143 -10.911 1.00 0.00 ATOM 680 N GLN 93 -4.415 -4.986 -11.531 1.00 0.00 ATOM 681 CA GLN 93 -3.819 -4.718 -12.855 1.00 0.00 ATOM 682 CB GLN 93 -4.278 -3.358 -13.384 1.00 0.00 ATOM 683 CG GLN 93 -5.742 -3.313 -13.793 1.00 0.00 ATOM 684 CD GLN 93 -6.189 -1.924 -14.204 1.00 0.00 ATOM 685 OE1 GLN 93 -5.430 -0.961 -14.101 1.00 0.00 ATOM 686 NE2 GLN 93 -7.428 -1.817 -14.671 1.00 0.00 ATOM 687 O GLN 93 -1.648 -5.337 -13.647 1.00 0.00 ATOM 688 C GLN 93 -2.301 -4.697 -12.831 1.00 0.00 ATOM 689 N ALA 94 -1.700 -4.021 -11.828 1.00 0.00 ATOM 690 CA ALA 94 -0.224 -3.920 -11.826 1.00 0.00 ATOM 691 CB ALA 94 0.232 -2.821 -10.879 1.00 0.00 ATOM 692 O ALA 94 1.458 -5.619 -11.911 1.00 0.00 ATOM 693 C ALA 94 0.446 -5.192 -11.387 1.00 0.00 ATOM 694 N ALA 95 -0.201 -6.048 -10.545 1.00 0.00 ATOM 695 CA ALA 95 0.342 -7.331 -10.187 1.00 0.00 ATOM 696 CB ALA 95 -0.558 -8.022 -9.175 1.00 0.00 ATOM 697 O ALA 95 1.406 -8.902 -11.699 1.00 0.00 ATOM 698 C ALA 95 0.438 -8.189 -11.464 1.00 0.00 ATOM 699 N ARG 96 -0.608 -8.109 -12.318 1.00 0.00 ATOM 700 CA ARG 96 -0.572 -8.862 -13.574 1.00 0.00 ATOM 701 CB ARG 96 -1.928 -8.790 -14.280 1.00 0.00 ATOM 702 CG ARG 96 -3.030 -9.578 -13.592 1.00 0.00 ATOM 703 CD ARG 96 -4.356 -9.422 -14.317 1.00 0.00 ATOM 704 NE ARG 96 -5.433 -10.153 -13.654 1.00 0.00 ATOM 705 CZ ARG 96 -6.695 -10.166 -14.071 1.00 0.00 ATOM 706 NH1 ARG 96 -7.607 -10.859 -13.402 1.00 0.00 ATOM 707 NH2 ARG 96 -7.042 -9.485 -15.154 1.00 0.00 ATOM 708 O ARG 96 1.292 -9.052 -15.108 1.00 0.00 ATOM 709 C ARG 96 0.485 -8.304 -14.518 1.00 0.00 ATOM 710 N ALA 97 0.446 -6.961 -14.665 1.00 0.00 ATOM 711 CA ALA 97 1.342 -6.355 -15.701 1.00 0.00 ATOM 712 CB ALA 97 1.049 -4.870 -15.854 1.00 0.00 ATOM 713 O ALA 97 3.657 -6.617 -16.268 1.00 0.00 ATOM 714 C ALA 97 2.811 -6.488 -15.362 1.00 0.00 ATOM 715 N GLU 98 3.092 -6.545 -14.050 1.00 0.00 ATOM 716 CA GLU 98 4.511 -6.760 -13.657 1.00 0.00 ATOM 717 CB GLU 98 4.793 -6.109 -12.301 1.00 0.00 ATOM 718 CG GLU 98 4.571 -4.605 -12.276 1.00 0.00 ATOM 719 CD GLU 98 5.439 -3.871 -13.279 1.00 0.00 ATOM 720 OE1 GLU 98 6.666 -4.098 -13.280 1.00 0.00 ATOM 721 OE2 GLU 98 4.890 -3.067 -14.061 1.00 0.00 ATOM 722 O GLU 98 6.099 -8.455 -13.184 1.00 0.00 ATOM 723 C GLU 98 4.917 -8.194 -13.521 1.00 0.00 ATOM 724 N LYS 99 4.034 -9.182 -13.694 1.00 0.00 ATOM 725 CA LYS 99 4.331 -10.588 -13.556 1.00 0.00 ATOM 726 CB LYS 99 5.380 -11.016 -14.585 1.00 0.00 ATOM 727 CG LYS 99 4.919 -10.890 -16.028 1.00 0.00 ATOM 728 CD LYS 99 6.002 -11.344 -16.994 1.00 0.00 ATOM 729 CE LYS 99 5.556 -11.185 -18.439 1.00 0.00 ATOM 730 NZ LYS 99 6.643 -11.526 -19.396 1.00 0.00 ATOM 731 O LYS 99 5.760 -11.776 -12.059 1.00 0.00 ATOM 732 C LYS 99 4.883 -10.912 -12.156 1.00 0.00 ATOM 733 N ALA 100 4.195 -10.404 -11.126 1.00 0.00 ATOM 734 CA ALA 100 4.724 -10.744 -9.770 1.00 0.00 ATOM 735 CB ALA 100 4.104 -9.838 -8.717 1.00 0.00 ATOM 736 O ALA 100 3.458 -12.778 -9.831 1.00 0.00 ATOM 737 C ALA 100 4.422 -12.165 -9.383 1.00 0.00 ATOM 738 N ASP 101 5.157 -12.660 -8.366 1.00 0.00 ATOM 739 CA ASP 101 4.989 -14.023 -7.862 1.00 0.00 ATOM 740 CB ASP 101 6.339 -14.605 -7.437 1.00 0.00 ATOM 741 CG ASP 101 7.304 -14.747 -8.596 1.00 0.00 ATOM 742 OD1 ASP 101 6.906 -15.317 -9.634 1.00 0.00 ATOM 743 OD2 ASP 101 8.459 -14.288 -8.467 1.00 0.00 ATOM 744 O ASP 101 3.573 -15.113 -6.271 1.00 0.00 ATOM 745 C ASP 101 4.048 -14.045 -6.642 1.00 0.00 ATOM 746 N LEU 102 3.937 -12.897 -6.020 1.00 0.00 ATOM 747 CA LEU 102 3.138 -12.799 -4.800 1.00 0.00 ATOM 748 CB LEU 102 3.905 -13.376 -3.609 1.00 0.00 ATOM 749 CG LEU 102 3.200 -13.313 -2.253 1.00 0.00 ATOM 750 CD1 LEU 102 1.985 -14.227 -2.236 1.00 0.00 ATOM 751 CD2 LEU 102 4.139 -13.748 -1.137 1.00 0.00 ATOM 752 O LEU 102 3.588 -10.463 -4.852 1.00 0.00 ATOM 753 C LEU 102 2.798 -11.347 -4.493 1.00 0.00 ATOM 754 N ILE 103 1.670 -11.069 -3.864 1.00 0.00 ATOM 755 CA ILE 103 1.254 -9.784 -3.366 1.00 0.00 ATOM 756 CB ILE 103 -0.168 -9.428 -3.839 1.00 0.00 ATOM 757 CG1 ILE 103 -0.219 -9.354 -5.366 1.00 0.00 ATOM 758 CG2 ILE 103 -0.595 -8.081 -3.277 1.00 0.00 ATOM 759 CD1 ILE 103 -1.620 -9.238 -5.927 1.00 0.00 ATOM 760 O ILE 103 0.639 -10.785 -1.288 1.00 0.00 ATOM 761 C ILE 103 1.291 -9.884 -1.828 1.00 0.00 ATOM 762 N VAL 104 2.013 -8.978 -1.196 1.00 0.00 ATOM 763 CA VAL 104 2.090 -9.007 0.279 1.00 0.00 ATOM 764 CB VAL 104 3.549 -9.080 0.766 1.00 0.00 ATOM 765 CG1 VAL 104 3.604 -9.072 2.285 1.00 0.00 ATOM 766 CG2 VAL 104 4.214 -10.354 0.268 1.00 0.00 ATOM 767 O VAL 104 1.853 -6.590 0.377 1.00 0.00 ATOM 768 C VAL 104 1.436 -7.715 0.772 1.00 0.00 ATOM 769 N MET 105 0.396 -7.797 1.586 1.00 0.00 ATOM 770 CA MET 105 -0.368 -6.588 1.934 1.00 0.00 ATOM 771 CB MET 105 -1.498 -6.360 0.928 1.00 0.00 ATOM 772 CG MET 105 -2.564 -7.444 0.937 1.00 0.00 ATOM 773 SD MET 105 -3.882 -7.134 -0.255 1.00 0.00 ATOM 774 CE MET 105 -4.701 -5.734 0.505 1.00 0.00 ATOM 775 O MET 105 -1.129 -7.775 3.831 1.00 0.00 ATOM 776 C MET 105 -1.000 -6.673 3.314 1.00 0.00 ATOM 777 N GLY 106 -1.492 -5.559 3.854 1.00 0.00 ATOM 778 CA GLY 106 -2.177 -5.667 5.155 1.00 0.00 ATOM 779 O GLY 106 -4.263 -6.113 4.058 1.00 0.00 ATOM 780 C GLY 106 -3.574 -6.201 5.067 1.00 0.00 ATOM 781 N THR 107 -4.101 -6.617 6.248 1.00 0.00 ATOM 782 CA THR 107 -5.539 -6.970 6.255 1.00 0.00 ATOM 783 CB THR 107 -5.905 -7.827 7.482 1.00 0.00 ATOM 784 CG2 THR 107 -5.102 -9.119 7.485 1.00 0.00 ATOM 785 OG1 THR 107 -5.617 -7.098 8.680 1.00 0.00 ATOM 786 O THR 107 -7.603 -5.775 5.957 1.00 0.00 ATOM 787 C THR 107 -6.415 -5.733 6.291 1.00 0.00 ATOM 788 N ARG 108 -5.851 -4.663 6.854 1.00 0.00 ATOM 789 CA ARG 108 -6.543 -3.391 7.093 1.00 0.00 ATOM 790 CB ARG 108 -6.940 -3.265 8.564 1.00 0.00 ATOM 791 CG ARG 108 -7.844 -4.381 9.062 1.00 0.00 ATOM 792 CD ARG 108 -8.194 -4.197 10.528 1.00 0.00 ATOM 793 NE ARG 108 -7.061 -4.489 11.404 1.00 0.00 ATOM 794 CZ ARG 108 -7.097 -4.394 12.729 1.00 0.00 ATOM 795 NH1 ARG 108 -6.016 -4.680 13.444 1.00 0.00 ATOM 796 NH2 ARG 108 -8.211 -4.013 13.337 1.00 0.00 ATOM 797 O ARG 108 -4.442 -2.420 6.430 1.00 0.00 ATOM 798 C ARG 108 -5.617 -2.247 6.728 1.00 0.00 ATOM 799 N GLY 109 -6.161 -1.014 6.796 1.00 0.00 ATOM 800 CA GLY 109 -5.465 0.122 6.211 1.00 0.00 ATOM 801 O GLY 109 -5.687 1.393 8.249 1.00 0.00 ATOM 802 C GLY 109 -5.690 1.403 7.005 1.00 0.00 ATOM 803 N LEU 110 -5.977 2.466 6.253 1.00 0.00 ATOM 804 CA LEU 110 -6.147 3.747 6.951 1.00 0.00 ATOM 805 CB LEU 110 -6.100 4.910 5.957 1.00 0.00 ATOM 806 CG LEU 110 -4.772 5.122 5.225 1.00 0.00 ATOM 807 CD1 LEU 110 -4.897 6.242 4.203 1.00 0.00 ATOM 808 CD2 LEU 110 -3.672 5.494 6.207 1.00 0.00 ATOM 809 O LEU 110 -7.632 4.642 8.597 1.00 0.00 ATOM 810 C LEU 110 -7.461 3.802 7.669 1.00 0.00 ATOM 811 N GLY 111 -8.494 3.035 7.294 1.00 0.00 ATOM 812 CA GLY 111 -9.761 3.149 8.013 1.00 0.00 ATOM 813 O GLY 111 -9.892 2.901 10.444 1.00 0.00 ATOM 814 C GLY 111 -9.674 2.381 9.317 1.00 0.00 ATOM 815 N ALA 112 -9.326 1.117 9.184 1.00 0.00 ATOM 816 CA ALA 112 -9.083 0.204 10.300 1.00 0.00 ATOM 817 CB ALA 112 -7.747 0.516 10.958 1.00 0.00 ATOM 818 O ALA 112 -9.862 0.620 12.533 1.00 0.00 ATOM 819 C ALA 112 -10.159 0.313 11.362 1.00 0.00 ATOM 820 N LEU 113 -11.406 0.072 10.989 1.00 0.00 ATOM 821 CA LEU 113 -12.521 0.097 11.957 1.00 0.00 ATOM 822 CB LEU 113 -13.855 0.285 11.233 1.00 0.00 ATOM 823 CG LEU 113 -14.040 1.608 10.486 1.00 0.00 ATOM 824 CD1 LEU 113 -15.352 1.610 9.715 1.00 0.00 ATOM 825 CD2 LEU 113 -14.058 2.776 11.459 1.00 0.00 ATOM 826 O LEU 113 -12.392 -2.293 12.095 1.00 0.00 ATOM 827 C LEU 113 -12.530 -1.224 12.704 1.00 0.00 ATOM 828 N GLY 114 -12.602 -1.165 14.050 1.00 0.00 ATOM 829 CA GLY 114 -12.557 -2.416 14.820 1.00 0.00 ATOM 830 O GLY 114 -13.128 -4.689 14.353 1.00 0.00 ATOM 831 C GLY 114 -13.483 -3.499 14.314 1.00 0.00 ATOM 832 N SER 115 -14.749 -3.186 14.048 1.00 0.00 ATOM 833 CA SER 115 -15.784 -4.129 13.663 1.00 0.00 ATOM 834 CB SER 115 -17.140 -3.425 13.571 1.00 0.00 ATOM 835 OG SER 115 -17.157 -2.486 12.512 1.00 0.00 ATOM 836 O SER 115 -16.159 -5.805 12.017 1.00 0.00 ATOM 837 C SER 115 -15.554 -4.808 12.300 1.00 0.00 ATOM 838 N LEU 116 -14.782 -4.114 11.471 1.00 0.00 ATOM 839 CA LEU 116 -14.507 -4.638 10.113 1.00 0.00 ATOM 840 CB LEU 116 -14.079 -3.506 9.177 1.00 0.00 ATOM 841 CG LEU 116 -15.122 -2.421 8.905 1.00 0.00 ATOM 842 CD1 LEU 116 -14.528 -1.302 8.064 1.00 0.00 ATOM 843 CD2 LEU 116 -16.314 -2.997 8.154 1.00 0.00 ATOM 844 O LEU 116 -12.336 -5.349 10.793 1.00 0.00 ATOM 845 C LEU 116 -13.386 -5.663 10.237 1.00 0.00 ATOM 846 N PHE 117 -13.611 -6.877 9.704 1.00 0.00 ATOM 847 CA PHE 117 -12.604 -7.917 9.930 1.00 0.00 ATOM 848 CB PHE 117 -13.278 -9.259 10.221 1.00 0.00 ATOM 849 CG PHE 117 -14.096 -9.266 11.480 1.00 0.00 ATOM 850 CD1 PHE 117 -15.476 -9.178 11.425 1.00 0.00 ATOM 851 CD2 PHE 117 -13.487 -9.364 12.718 1.00 0.00 ATOM 852 CE1 PHE 117 -16.230 -9.186 12.583 1.00 0.00 ATOM 853 CE2 PHE 117 -14.240 -9.372 13.876 1.00 0.00 ATOM 854 CZ PHE 117 -15.606 -9.283 13.813 1.00 0.00 ATOM 855 O PHE 117 -10.639 -8.797 8.970 1.00 0.00 ATOM 856 C PHE 117 -11.664 -8.145 8.736 1.00 0.00 ATOM 857 N LEU 118 -12.013 -7.458 7.652 1.00 0.00 ATOM 858 CA LEU 118 -11.042 -7.532 6.502 1.00 0.00 ATOM 859 CB LEU 118 -11.259 -8.816 5.699 1.00 0.00 ATOM 860 CG LEU 118 -10.338 -9.027 4.495 1.00 0.00 ATOM 861 CD1 LEU 118 -8.903 -9.249 4.948 1.00 0.00 ATOM 862 CD2 LEU 118 -10.777 -10.240 3.689 1.00 0.00 ATOM 863 O LEU 118 -12.568 -6.052 5.350 1.00 0.00 ATOM 864 C LEU 118 -11.383 -6.272 5.691 1.00 0.00 ATOM 865 N GLY 119 -10.361 -5.516 5.404 1.00 0.00 ATOM 866 CA GLY 119 -10.525 -4.307 4.615 1.00 0.00 ATOM 867 O GLY 119 -10.744 -5.686 2.676 1.00 0.00 ATOM 868 C GLY 119 -11.042 -4.625 3.200 1.00 0.00 ATOM 869 N SER 120 -11.666 -3.631 2.572 1.00 0.00 ATOM 870 CA SER 120 -12.258 -3.896 1.249 1.00 0.00 ATOM 871 CB SER 120 -13.261 -2.800 0.882 1.00 0.00 ATOM 872 OG SER 120 -12.612 -1.554 0.697 1.00 0.00 ATOM 873 O SER 120 -11.501 -4.677 -0.849 1.00 0.00 ATOM 874 C SER 120 -11.217 -3.945 0.138 1.00 0.00 ATOM 875 N GLN 121 -10.069 -3.307 0.340 1.00 0.00 ATOM 876 CA GLN 121 -9.046 -3.408 -0.717 1.00 0.00 ATOM 877 CB GLN 121 -7.884 -2.455 -0.431 1.00 0.00 ATOM 878 CG GLN 121 -8.235 -0.984 -0.583 1.00 0.00 ATOM 879 CD GLN 121 -7.108 -0.067 -0.150 1.00 0.00 ATOM 880 OE1 GLN 121 -6.088 -0.524 0.367 1.00 0.00 ATOM 881 NE2 GLN 121 -7.288 1.232 -0.363 1.00 0.00 ATOM 882 O GLN 121 -8.378 -5.488 -1.806 1.00 0.00 ATOM 883 C GLN 121 -8.510 -4.845 -0.775 1.00 0.00 ATOM 884 N SER 122 -8.159 -5.364 0.416 1.00 0.00 ATOM 885 CA SER 122 -7.644 -6.755 0.467 1.00 0.00 ATOM 886 CB SER 122 -7.184 -7.104 1.884 1.00 0.00 ATOM 887 OG SER 122 -8.277 -7.116 2.786 1.00 0.00 ATOM 888 O SER 122 -8.322 -8.643 -0.746 1.00 0.00 ATOM 889 C SER 122 -8.696 -7.787 0.062 1.00 0.00 ATOM 890 N GLN 123 -9.962 -7.616 0.466 1.00 0.00 ATOM 891 CA GLN 123 -10.987 -8.544 0.016 1.00 0.00 ATOM 892 CB GLN 123 -12.349 -8.161 0.595 1.00 0.00 ATOM 893 CG GLN 123 -13.477 -9.103 0.207 1.00 0.00 ATOM 894 CD GLN 123 -14.807 -8.703 0.815 1.00 0.00 ATOM 895 OE1 GLN 123 -14.915 -7.663 1.466 1.00 0.00 ATOM 896 NE2 GLN 123 -15.826 -9.528 0.603 1.00 0.00 ATOM 897 O GLN 123 -11.147 -9.614 -2.126 1.00 0.00 ATOM 898 C GLN 123 -11.100 -8.540 -1.506 1.00 0.00 ATOM 899 N ARG 124 -11.129 -7.337 -2.100 1.00 0.00 ATOM 900 CA ARG 124 -11.243 -7.303 -3.573 1.00 0.00 ATOM 901 CB ARG 124 -11.377 -5.861 -4.067 1.00 0.00 ATOM 902 CG ARG 124 -12.712 -5.213 -3.734 1.00 0.00 ATOM 903 CD ARG 124 -12.758 -3.771 -4.211 1.00 0.00 ATOM 904 NE ARG 124 -14.016 -3.117 -3.856 1.00 0.00 ATOM 905 CZ ARG 124 -14.290 -1.840 -4.106 1.00 0.00 ATOM 906 NH1 ARG 124 -15.461 -1.333 -3.746 1.00 0.00 ATOM 907 NH2 ARG 124 -13.395 -1.077 -4.715 1.00 0.00 ATOM 908 O ARG 124 -10.195 -8.578 -5.251 1.00 0.00 ATOM 909 C ARG 124 -9.995 -7.928 -4.212 1.00 0.00 ATOM 910 N VAL 125 -8.813 -7.562 -3.723 1.00 0.00 ATOM 911 CA VAL 125 -7.617 -8.130 -4.431 1.00 0.00 ATOM 912 CB VAL 125 -6.301 -7.610 -3.821 1.00 0.00 ATOM 913 CG1 VAL 125 -5.111 -8.345 -4.417 1.00 0.00 ATOM 914 CG2 VAL 125 -6.137 -6.124 -4.098 1.00 0.00 ATOM 915 O VAL 125 -7.360 -10.297 -5.362 1.00 0.00 ATOM 916 C VAL 125 -7.593 -9.628 -4.345 1.00 0.00 ATOM 917 N VAL 126 -7.858 -10.240 -3.166 1.00 0.00 ATOM 918 CA VAL 126 -7.960 -11.707 -3.078 1.00 0.00 ATOM 919 CB VAL 126 -8.355 -12.161 -1.660 1.00 0.00 ATOM 920 CG1 VAL 126 -8.648 -13.652 -1.641 1.00 0.00 ATOM 921 CG2 VAL 126 -7.228 -11.880 -0.679 1.00 0.00 ATOM 922 O VAL 126 -8.723 -13.301 -4.683 1.00 0.00 ATOM 923 C VAL 126 -8.999 -12.283 -4.023 1.00 0.00 ATOM 924 N ALA 127 -10.145 -11.665 -4.154 1.00 0.00 ATOM 925 CA ALA 127 -11.184 -12.260 -5.003 1.00 0.00 ATOM 926 CB ALA 127 -12.545 -11.670 -4.668 1.00 0.00 ATOM 927 O ALA 127 -11.422 -12.820 -7.259 1.00 0.00 ATOM 928 C ALA 127 -10.921 -12.011 -6.481 1.00 0.00 ATOM 929 N GLU 128 -10.234 -10.938 -6.874 1.00 0.00 ATOM 930 CA GLU 128 -10.122 -10.609 -8.309 1.00 0.00 ATOM 931 CB GLU 128 -10.286 -9.104 -8.528 1.00 0.00 ATOM 932 CG GLU 128 -11.646 -8.561 -8.117 1.00 0.00 ATOM 933 CD GLU 128 -11.754 -7.060 -8.301 1.00 0.00 ATOM 934 OE1 GLU 128 -10.756 -6.440 -8.726 1.00 0.00 ATOM 935 OE2 GLU 128 -12.835 -6.503 -8.020 1.00 0.00 ATOM 936 O GLU 128 -8.725 -11.274 -10.112 1.00 0.00 ATOM 937 C GLU 128 -8.773 -11.015 -8.882 1.00 0.00 ATOM 938 N ALA 129 -7.685 -11.002 -8.094 1.00 0.00 ATOM 939 CA ALA 129 -6.384 -11.392 -8.606 1.00 0.00 ATOM 940 CB ALA 129 -5.278 -10.819 -7.733 1.00 0.00 ATOM 941 O ALA 129 -6.618 -13.607 -7.760 1.00 0.00 ATOM 942 C ALA 129 -6.175 -12.887 -8.652 1.00 0.00 ATOM 943 N PRO 130 -5.403 -13.409 -9.629 1.00 0.00 ATOM 944 CA PRO 130 -5.031 -14.828 -9.531 1.00 0.00 ATOM 945 CB PRO 130 -5.031 -15.313 -10.982 1.00 0.00 ATOM 946 CG PRO 130 -4.498 -14.157 -11.761 1.00 0.00 ATOM 947 CD PRO 130 -5.034 -12.920 -11.094 1.00 0.00 ATOM 948 O PRO 130 -3.170 -16.181 -8.824 1.00 0.00 ATOM 949 C PRO 130 -3.667 -15.036 -8.897 1.00 0.00 ATOM 950 N CYS 131 -3.054 -13.982 -8.315 1.00 0.00 ATOM 951 CA CYS 131 -1.753 -14.077 -7.669 1.00 0.00 ATOM 952 CB CYS 131 -1.040 -12.724 -7.697 1.00 0.00 ATOM 953 SG CYS 131 -0.691 -12.099 -9.358 1.00 0.00 ATOM 954 O CYS 131 -2.975 -14.217 -5.582 1.00 0.00 ATOM 955 C CYS 131 -1.936 -14.517 -6.196 1.00 0.00 ATOM 956 N PRO 132 -0.987 -15.268 -5.683 1.00 0.00 ATOM 957 CA PRO 132 -0.985 -15.618 -4.252 1.00 0.00 ATOM 958 CB PRO 132 0.279 -16.461 -4.079 1.00 0.00 ATOM 959 CG PRO 132 0.538 -17.030 -5.434 1.00 0.00 ATOM 960 CD PRO 132 0.155 -15.959 -6.416 1.00 0.00 ATOM 961 O PRO 132 -0.296 -13.353 -3.861 1.00 0.00 ATOM 962 C PRO 132 -0.942 -14.302 -3.454 1.00 0.00 ATOM 963 N VAL 133 -1.681 -14.202 -2.356 1.00 0.00 ATOM 964 CA VAL 133 -1.717 -12.991 -1.523 1.00 0.00 ATOM 965 CB VAL 133 -3.105 -12.324 -1.556 1.00 0.00 ATOM 966 CG1 VAL 133 -3.124 -11.092 -0.666 1.00 0.00 ATOM 967 CG2 VAL 133 -3.459 -11.901 -2.973 1.00 0.00 ATOM 968 O VAL 133 -2.115 -14.193 0.519 1.00 0.00 ATOM 969 C VAL 133 -1.386 -13.412 -0.089 1.00 0.00 ATOM 970 N LEU 134 -0.327 -12.734 0.431 1.00 0.00 ATOM 971 CA LEU 134 -0.021 -12.919 1.864 1.00 0.00 ATOM 972 CB LEU 134 1.491 -12.890 2.096 1.00 0.00 ATOM 973 CG LEU 134 1.957 -13.048 3.545 1.00 0.00 ATOM 974 CD1 LEU 134 1.555 -14.408 4.093 1.00 0.00 ATOM 975 CD2 LEU 134 3.471 -12.928 3.638 1.00 0.00 ATOM 976 O LEU 134 -0.397 -10.593 2.408 1.00 0.00 ATOM 977 C LEU 134 -0.698 -11.763 2.600 1.00 0.00 ATOM 978 N LEU 135 -1.692 -12.103 3.396 1.00 0.00 ATOM 979 CA LEU 135 -2.434 -11.138 4.210 1.00 0.00 ATOM 980 CB LEU 135 -3.883 -11.596 4.397 1.00 0.00 ATOM 981 CG LEU 135 -4.715 -11.745 3.122 1.00 0.00 ATOM 982 CD1 LEU 135 -6.092 -12.307 3.442 1.00 0.00 ATOM 983 CD2 LEU 135 -4.900 -10.397 2.438 1.00 0.00 ATOM 984 O LEU 135 -1.750 -12.005 6.323 1.00 0.00 ATOM 985 C LEU 135 -1.735 -11.045 5.579 1.00 0.00 ATOM 986 N VAL 136 -1.313 -9.830 5.902 1.00 0.00 ATOM 987 CA VAL 136 -0.643 -9.615 7.212 1.00 0.00 ATOM 988 CB VAL 136 0.647 -8.787 7.057 1.00 0.00 ATOM 989 CG1 VAL 136 1.292 -8.548 8.413 1.00 0.00 ATOM 990 CG2 VAL 136 1.645 -9.517 6.171 1.00 0.00 ATOM 991 O VAL 136 -2.141 -7.814 7.732 1.00 0.00 ATOM 992 C VAL 136 -1.622 -8.872 8.095 1.00 0.00 ATOM 993 N ARG 137 -1.988 -9.447 9.267 1.00 0.00 ATOM 994 CA ARG 137 -3.050 -8.896 10.058 1.00 0.00 ATOM 995 CB ARG 137 -3.549 -9.923 11.076 1.00 0.00 ATOM 996 CG ARG 137 -4.243 -11.125 10.455 1.00 0.00 ATOM 997 CD ARG 137 -4.707 -12.106 11.520 1.00 0.00 ATOM 998 NE ARG 137 -5.285 -13.314 10.937 1.00 0.00 ATOM 999 CZ ARG 137 -5.782 -14.321 11.647 1.00 0.00 ATOM 1000 NH1 ARG 137 -6.288 -15.381 11.030 1.00 0.00 ATOM 1001 NH2 ARG 137 -5.771 -14.268 12.972 1.00 0.00 ATOM 1002 O ARG 137 -1.484 -7.449 11.230 1.00 0.00 ATOM 1003 C ARG 137 -2.618 -7.627 10.860 1.00 0.00 TER END