PFRMAT TS TARGET T0213 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD This is try3-opt2.repack-nonPC, which has an undertaker-created METHOD backbone, but with the sidechains repacked by Rosetta. It has the METHOD lowest Rosetta energy of any of our repacked models. METHOD METHOD REMARK 6 REMARK 6 T0213 model 3 Thu Aug 12 17:13:28 2004 MODEL 3 PARENT 1t62_A 1ov3_A 1aze_A 1ng2_A 1l6o_A REMARK 7 REMARK 7 ALLPARENTS 1t62_A 1ov3_A 1aze_A 1ng2_A 1l6o_A 1dp7_P 1ov3_A ATOM 1 N MET 1 8.370 2.570 -6.002 1.00 0.00 ATOM 2 CA MET 1 9.656 1.879 -5.813 1.00 0.00 ATOM 3 CB MET 1 10.685 2.834 -5.211 1.00 0.00 ATOM 4 CG MET 1 12.083 2.247 -5.070 1.00 0.00 ATOM 5 SD MET 1 13.289 3.457 -4.493 1.00 0.00 ATOM 6 CE MET 1 13.521 4.436 -5.974 1.00 0.00 ATOM 7 O MET 1 9.856 -0.461 -5.320 1.00 0.00 ATOM 8 C MET 1 9.486 0.648 -4.924 1.00 0.00 ATOM 9 N GLN 2 8.852 0.821 -3.769 1.00 0.00 ATOM 10 CA GLN 2 8.671 -0.313 -2.863 1.00 0.00 ATOM 11 CB GLN 2 8.088 0.156 -1.527 1.00 0.00 ATOM 12 CG GLN 2 9.052 0.967 -0.678 1.00 0.00 ATOM 13 CD GLN 2 8.405 1.495 0.588 1.00 0.00 ATOM 14 OE1 GLN 2 7.203 1.322 0.805 1.00 0.00 ATOM 15 NE2 GLN 2 9.199 2.146 1.431 1.00 0.00 ATOM 16 O GLN 2 7.987 -2.585 -3.287 1.00 0.00 ATOM 17 C GLN 2 7.761 -1.389 -3.456 1.00 0.00 ATOM 18 N PRO 3 6.726 -1.004 -4.188 1.00 0.00 ATOM 19 CA PRO 3 5.862 -2.008 -4.821 1.00 0.00 ATOM 20 CB PRO 3 4.758 -1.164 -5.466 1.00 0.00 ATOM 21 CG PRO 3 5.362 0.189 -5.623 1.00 0.00 ATOM 22 CD PRO 3 6.300 0.370 -4.471 1.00 0.00 ATOM 23 O PRO 3 6.181 -3.911 -6.217 1.00 0.00 ATOM 24 C PRO 3 6.613 -2.808 -5.874 1.00 0.00 ATOM 25 N ASN 4 7.796 -2.257 -6.380 1.00 0.00 ATOM 26 CA ASN 4 8.555 -3.015 -7.372 1.00 0.00 ATOM 27 CB ASN 4 9.360 -2.099 -8.275 1.00 0.00 ATOM 28 CG ASN 4 8.519 -1.297 -9.229 1.00 0.00 ATOM 29 ND2 ASN 4 9.093 -0.234 -9.731 1.00 0.00 ATOM 30 OD1 ASN 4 7.390 -1.676 -9.562 1.00 0.00 ATOM 31 O ASN 4 10.035 -4.852 -7.530 1.00 0.00 ATOM 32 C ASN 4 9.492 -4.055 -6.763 1.00 0.00 ATOM 33 N ASP 5 9.699 -4.050 -5.448 1.00 0.00 ATOM 34 CA ASP 5 10.620 -5.038 -4.877 1.00 0.00 ATOM 35 CB ASP 5 10.905 -4.719 -3.407 1.00 0.00 ATOM 36 CG ASP 5 11.810 -3.514 -3.189 1.00 0.00 ATOM 37 OD1 ASP 5 12.370 -3.035 -4.146 1.00 0.00 ATOM 38 OD2 ASP 5 11.809 -2.985 -2.102 1.00 0.00 ATOM 39 O ASP 5 8.848 -6.641 -4.851 1.00 0.00 ATOM 40 C ASP 5 10.048 -6.445 -5.017 1.00 0.00 ATOM 41 N ILE 6 10.900 -7.424 -5.300 1.00 0.00 ATOM 42 CA ILE 6 10.433 -8.778 -5.565 1.00 0.00 ATOM 43 CB ILE 6 11.584 -9.693 -6.022 1.00 0.00 ATOM 44 CG1 ILE 6 12.094 -9.261 -7.399 1.00 0.00 ATOM 45 CG2 ILE 6 11.129 -11.144 -6.051 1.00 0.00 ATOM 46 CD1 ILE 6 13.388 -9.929 -7.807 1.00 0.00 ATOM 47 O ILE 6 8.721 -9.952 -4.353 1.00 0.00 ATOM 48 C ILE 6 9.783 -9.332 -4.300 1.00 0.00 ATOM 49 N THR 7 10.415 -9.107 -3.156 1.00 0.00 ATOM 50 CA THR 7 9.868 -9.582 -1.896 1.00 0.00 ATOM 51 CB THR 7 10.787 -9.228 -0.711 1.00 0.00 ATOM 52 CG2 THR 7 10.180 -9.709 0.597 1.00 0.00 ATOM 53 OG1 THR 7 12.064 -9.854 -0.890 1.00 0.00 ATOM 54 O THR 7 7.489 -9.645 -1.542 1.00 0.00 ATOM 55 C THR 7 8.508 -8.954 -1.641 1.00 0.00 ATOM 56 N PHE 8 8.480 -7.565 -1.564 1.00 0.00 ATOM 57 CA PHE 8 7.247 -6.834 -1.333 1.00 0.00 ATOM 58 CB PHE 8 7.554 -5.297 -1.303 1.00 0.00 ATOM 59 CG PHE 8 8.260 -4.822 -0.058 1.00 0.00 ATOM 60 CD1 PHE 8 8.368 -5.640 1.061 1.00 0.00 ATOM 61 CD2 PHE 8 8.794 -3.535 0.002 1.00 0.00 ATOM 62 CE1 PHE 8 8.993 -5.187 2.223 1.00 0.00 ATOM 63 CE2 PHE 8 9.420 -3.076 1.159 1.00 0.00 ATOM 64 CZ PHE 8 9.521 -3.896 2.267 1.00 0.00 ATOM 65 O PHE 8 5.014 -7.300 -2.088 1.00 0.00 ATOM 66 C PHE 8 6.206 -7.206 -2.389 1.00 0.00 ATOM 67 N PHE 9 6.660 -7.417 -3.621 1.00 0.00 ATOM 68 CA PHE 9 5.746 -7.779 -4.690 1.00 0.00 ATOM 69 CB PHE 9 6.487 -7.843 -6.028 1.00 0.00 ATOM 70 CG PHE 9 5.616 -8.249 -7.182 1.00 0.00 ATOM 71 CD1 PHE 9 4.768 -7.332 -7.785 1.00 0.00 ATOM 72 CD2 PHE 9 5.643 -9.547 -7.668 1.00 0.00 ATOM 73 CE1 PHE 9 3.966 -7.705 -8.848 1.00 0.00 ATOM 74 CE2 PHE 9 4.845 -9.921 -8.731 1.00 0.00 ATOM 75 CZ PHE 9 4.005 -8.999 -9.321 1.00 0.00 ATOM 76 O PHE 9 3.843 -9.269 -4.466 1.00 0.00 ATOM 77 C PHE 9 5.067 -9.128 -4.383 1.00 0.00 ATOM 78 N GLN 10 5.886 -10.075 -4.052 1.00 0.00 ATOM 79 CA GLN 10 5.396 -11.418 -3.741 1.00 0.00 ATOM 80 CB GLN 10 6.567 -12.372 -3.497 1.00 0.00 ATOM 81 CG GLN 10 7.384 -12.689 -4.737 1.00 0.00 ATOM 82 CD GLN 10 6.571 -13.410 -5.796 1.00 0.00 ATOM 83 OE1 GLN 10 5.857 -14.373 -5.502 1.00 0.00 ATOM 84 NE2 GLN 10 6.678 -12.951 -7.037 1.00 0.00 ATOM 85 O GLN 10 3.359 -11.950 -2.586 1.00 0.00 ATOM 86 C GLN 10 4.476 -11.429 -2.522 1.00 0.00 ATOM 87 N ARG 11 5.003 -10.859 -1.348 1.00 0.00 ATOM 88 CA ARG 11 4.283 -10.772 -0.079 1.00 0.00 ATOM 89 CB ARG 11 5.134 -10.159 1.024 1.00 0.00 ATOM 90 CG ARG 11 6.269 -11.042 1.520 1.00 0.00 ATOM 91 CD ARG 11 7.174 -10.383 2.497 1.00 0.00 ATOM 92 NE ARG 11 6.548 -10.044 3.766 1.00 0.00 ATOM 93 CZ ARG 11 7.099 -9.249 4.702 1.00 0.00 ATOM 94 NH1 ARG 11 8.299 -8.737 4.535 1.00 0.00 ATOM 95 NH2 ARG 11 6.411 -9.014 5.806 1.00 0.00 ATOM 96 O ARG 11 1.895 -10.507 0.186 1.00 0.00 ATOM 97 C ARG 11 2.950 -10.022 -0.237 1.00 0.00 ATOM 98 N PHE 12 2.975 -8.869 -0.841 1.00 0.00 ATOM 99 CA PHE 12 1.750 -8.096 -1.032 1.00 0.00 ATOM 100 CB PHE 12 2.078 -6.687 -1.527 1.00 0.00 ATOM 101 CG PHE 12 2.964 -5.909 -0.595 1.00 0.00 ATOM 102 CD1 PHE 12 3.140 -6.315 0.719 1.00 0.00 ATOM 103 CD2 PHE 12 3.623 -4.770 -1.032 1.00 0.00 ATOM 104 CE1 PHE 12 3.955 -5.600 1.576 1.00 0.00 ATOM 105 CE2 PHE 12 4.439 -4.054 -0.177 1.00 0.00 ATOM 106 CZ PHE 12 4.604 -4.470 1.128 1.00 0.00 ATOM 107 O PHE 12 -0.389 -8.866 -1.785 1.00 0.00 ATOM 108 C PHE 12 0.835 -8.816 -2.014 1.00 0.00 ATOM 109 N GLN 13 1.346 -9.395 -3.171 1.00 0.00 ATOM 110 CA GLN 13 0.498 -10.110 -4.131 1.00 0.00 ATOM 111 CB GLN 13 1.347 -10.699 -5.261 1.00 0.00 ATOM 112 CG GLN 13 1.815 -9.679 -6.285 1.00 0.00 ATOM 113 CD GLN 13 0.663 -8.914 -6.907 1.00 0.00 ATOM 114 OE1 GLN 13 0.560 -7.692 -6.761 1.00 0.00 ATOM 115 NE2 GLN 13 -0.213 -9.628 -7.604 1.00 0.00 ATOM 116 O GLN 13 -1.490 -11.379 -3.694 1.00 0.00 ATOM 117 C GLN 13 -0.287 -11.214 -3.453 1.00 0.00 ATOM 118 N ASP 14 0.380 -12.009 -2.577 1.00 0.00 ATOM 119 CA ASP 14 -0.288 -13.090 -1.867 1.00 0.00 ATOM 120 CB ASP 14 0.731 -13.936 -1.101 1.00 0.00 ATOM 121 CG ASP 14 1.582 -14.795 -2.015 1.00 0.00 ATOM 122 OD1 ASP 14 1.230 -14.925 -3.206 1.00 0.00 ATOM 123 OD2 ASP 14 2.602 -15.337 -1.541 1.00 0.00 ATOM 124 O ASP 14 -2.447 -13.015 -0.839 1.00 0.00 ATOM 125 C ASP 14 -1.302 -12.565 -0.866 1.00 0.00 ATOM 126 N ASP 15 -0.888 -11.608 -0.043 1.00 0.00 ATOM 127 CA ASP 15 -1.799 -11.040 0.938 1.00 0.00 ATOM 128 CB ASP 15 -1.124 -9.895 1.697 1.00 0.00 ATOM 129 CG ASP 15 0.069 -10.318 2.544 1.00 0.00 ATOM 130 OD1 ASP 15 0.254 -11.498 2.725 1.00 0.00 ATOM 131 OD2 ASP 15 0.870 -9.476 2.868 1.00 0.00 ATOM 132 O ASP 15 -4.151 -10.610 0.873 1.00 0.00 ATOM 133 C ASP 15 -3.080 -10.548 0.276 1.00 0.00 ATOM 134 N ILE 16 -2.968 -10.064 -0.960 1.00 0.00 ATOM 135 CA ILE 16 -4.126 -9.558 -1.682 1.00 0.00 ATOM 136 CB ILE 16 -3.710 -8.788 -2.948 1.00 0.00 ATOM 137 CG1 ILE 16 -2.976 -7.499 -2.571 1.00 0.00 ATOM 138 CG2 ILE 16 -4.933 -8.421 -3.774 1.00 0.00 ATOM 139 CD1 ILE 16 -2.302 -6.816 -3.740 1.00 0.00 ATOM 140 O ILE 16 -6.251 -10.637 -1.886 1.00 0.00 ATOM 141 C ILE 16 -5.045 -10.681 -2.119 1.00 0.00 ATOM 142 N LEU 17 -4.482 -11.662 -2.804 1.00 0.00 ATOM 143 CA LEU 17 -5.270 -12.800 -3.248 1.00 0.00 ATOM 144 CB LEU 17 -4.385 -13.791 -4.014 1.00 0.00 ATOM 145 CG LEU 17 -5.122 -14.996 -4.613 1.00 0.00 ATOM 146 CD1 LEU 17 -6.165 -14.523 -5.616 1.00 0.00 ATOM 147 CD2 LEU 17 -4.119 -15.928 -5.277 1.00 0.00 ATOM 148 O LEU 17 -7.030 -13.962 -2.107 1.00 0.00 ATOM 149 C LEU 17 -5.917 -13.443 -2.028 1.00 0.00 ATOM 150 N ALA 18 -5.220 -13.373 -0.895 1.00 0.00 ATOM 151 CA ALA 18 -5.682 -13.951 0.364 1.00 0.00 ATOM 152 CB ALA 18 -4.563 -13.945 1.394 1.00 0.00 ATOM 153 O ALA 18 -7.641 -13.731 1.709 1.00 0.00 ATOM 154 C ALA 18 -6.854 -13.184 0.954 1.00 0.00 ATOM 155 N GLY 19 -6.879 -11.848 0.732 1.00 0.00 ATOM 156 CA GLY 19 -7.890 -11.024 1.363 1.00 0.00 ATOM 157 O GLY 19 -8.071 -9.673 3.328 1.00 0.00 ATOM 158 C GLY 19 -7.347 -10.394 2.635 1.00 0.00 ATOM 159 N ARG 20 -6.006 -10.570 3.017 1.00 0.00 ATOM 160 CA ARG 20 -5.366 -10.029 4.212 1.00 0.00 ATOM 161 CB ARG 20 -4.331 -10.983 4.790 1.00 0.00 ATOM 162 CG ARG 20 -4.898 -12.276 5.353 1.00 0.00 ATOM 163 CD ARG 20 -3.875 -13.205 5.900 1.00 0.00 ATOM 164 NE ARG 20 -4.413 -14.444 6.440 1.00 0.00 ATOM 165 CZ ARG 20 -3.666 -15.463 6.907 1.00 0.00 ATOM 166 NH1 ARG 20 -2.353 -15.414 6.867 1.00 0.00 ATOM 167 NH2 ARG 20 -4.290 -16.526 7.384 1.00 0.00 ATOM 168 O ARG 20 -4.717 -7.818 4.925 1.00 0.00 ATOM 169 C ARG 20 -4.744 -8.645 4.009 1.00 0.00 ATOM 170 N LYS 21 -4.243 -8.407 2.802 1.00 0.00 ATOM 171 CA LYS 21 -3.610 -7.143 2.456 1.00 0.00 ATOM 172 CB LYS 21 -2.235 -7.385 1.830 1.00 0.00 ATOM 173 CG LYS 21 -1.479 -6.116 1.460 1.00 0.00 ATOM 174 CD LYS 21 -1.058 -5.342 2.700 1.00 0.00 ATOM 175 CE LYS 21 -0.046 -6.124 3.525 1.00 0.00 ATOM 176 NZ LYS 21 1.244 -6.297 2.805 1.00 0.00 ATOM 177 O LYS 21 -4.641 -6.715 0.336 1.00 0.00 ATOM 178 C LYS 21 -4.505 -6.359 1.508 1.00 0.00 ATOM 179 N THR 22 -5.098 -5.280 2.009 1.00 0.00 ATOM 180 CA THR 22 -6.003 -4.461 1.212 1.00 0.00 ATOM 181 CB THR 22 -7.405 -4.392 1.844 1.00 0.00 ATOM 182 CG2 THR 22 -8.034 -5.775 1.897 1.00 0.00 ATOM 183 OG1 THR 22 -7.306 -3.875 3.177 1.00 0.00 ATOM 184 O THR 22 -6.390 -2.131 0.825 1.00 0.00 ATOM 185 C THR 22 -5.563 -3.012 1.032 1.00 0.00 ATOM 186 N ILE 23 -4.266 -2.760 1.116 1.00 0.00 ATOM 187 CA ILE 23 -3.752 -1.414 0.925 1.00 0.00 ATOM 188 CB ILE 23 -3.911 -0.561 2.197 1.00 0.00 ATOM 189 CG1 ILE 23 -5.372 -0.559 2.659 1.00 0.00 ATOM 190 CG2 ILE 23 -3.426 0.858 1.951 1.00 0.00 ATOM 191 CD1 ILE 23 -5.589 0.119 3.992 1.00 0.00 ATOM 192 O ILE 23 -1.507 -2.226 1.089 1.00 0.00 ATOM 193 C ILE 23 -2.287 -1.466 0.523 1.00 0.00 ATOM 194 N THR 24 -1.825 -0.570 -0.447 1.00 0.00 ATOM 195 CA THR 24 -0.446 -0.497 -0.883 1.00 0.00 ATOM 196 CB THR 24 -0.246 -1.187 -2.245 1.00 0.00 ATOM 197 CG2 THR 24 1.138 -0.885 -2.799 1.00 0.00 ATOM 198 OG1 THR 24 -0.395 -2.605 -2.091 1.00 0.00 ATOM 199 O THR 24 -0.893 1.838 -1.125 1.00 0.00 ATOM 200 C THR 24 -0.043 0.966 -0.964 1.00 0.00 ATOM 201 N ILE 25 1.247 1.240 -0.802 1.00 0.00 ATOM 202 CA ILE 25 1.740 2.610 -0.875 1.00 0.00 ATOM 203 CB ILE 25 2.197 3.120 0.504 1.00 0.00 ATOM 204 CG1 ILE 25 3.426 2.342 0.980 1.00 0.00 ATOM 205 CG2 ILE 25 1.066 3.006 1.514 1.00 0.00 ATOM 206 CD1 ILE 25 4.057 2.906 2.234 1.00 0.00 ATOM 207 O ILE 25 3.626 1.726 -2.068 1.00 0.00 ATOM 208 C ILE 25 2.899 2.698 -1.867 1.00 0.00 ATOM 209 N ARG 26 3.052 3.862 -2.468 1.00 0.00 ATOM 210 CA ARG 26 4.139 4.088 -3.422 1.00 0.00 ATOM 211 CB ARG 26 3.697 3.860 -4.860 1.00 0.00 ATOM 212 CG ARG 26 2.512 4.701 -5.306 1.00 0.00 ATOM 213 CD ARG 26 2.046 4.418 -6.687 1.00 0.00 ATOM 214 NE ARG 26 2.894 4.968 -7.733 1.00 0.00 ATOM 215 CZ ARG 26 2.573 4.996 -9.042 1.00 0.00 ATOM 216 NH1 ARG 26 1.446 4.476 -9.475 1.00 0.00 ATOM 217 NH2 ARG 26 3.435 5.540 -9.884 1.00 0.00 ATOM 218 O ARG 26 3.981 6.306 -2.556 1.00 0.00 ATOM 219 C ARG 26 4.672 5.484 -3.150 1.00 0.00 ATOM 220 N ASP 27 5.908 5.748 -3.550 1.00 0.00 ATOM 221 CA ASP 27 6.482 7.060 -3.314 1.00 0.00 ATOM 222 CB ASP 27 7.998 7.027 -3.525 1.00 0.00 ATOM 223 CG ASP 27 8.728 8.268 -3.030 1.00 0.00 ATOM 224 OD1 ASP 27 8.073 9.189 -2.603 1.00 0.00 ATOM 225 OD2 ASP 27 9.932 8.226 -2.935 1.00 0.00 ATOM 226 O ASP 27 5.917 8.041 -5.426 1.00 0.00 ATOM 227 C ASP 27 5.874 8.123 -4.199 1.00 0.00 ATOM 228 N GLU 28 5.184 9.182 -3.620 1.00 0.00 ATOM 229 CA GLU 28 4.597 10.249 -4.404 1.00 0.00 ATOM 230 CB GLU 28 3.816 11.208 -3.505 1.00 0.00 ATOM 231 CG GLU 28 3.112 12.335 -4.248 1.00 0.00 ATOM 232 CD GLU 28 2.326 13.204 -3.305 1.00 0.00 ATOM 233 OE1 GLU 28 2.324 12.924 -2.131 1.00 0.00 ATOM 234 OE2 GLU 28 1.820 14.211 -3.741 1.00 0.00 ATOM 235 O GLU 28 5.415 11.310 -6.367 1.00 0.00 ATOM 236 C GLU 28 5.631 11.030 -5.193 1.00 0.00 ATOM 237 N SER 29 6.776 11.352 -4.557 1.00 0.00 ATOM 238 CA SER 29 7.776 12.126 -5.288 1.00 0.00 ATOM 239 CB SER 29 8.928 12.489 -4.372 1.00 0.00 ATOM 240 OG SER 29 9.641 11.359 -3.950 1.00 0.00 ATOM 241 O SER 29 8.688 12.041 -7.506 1.00 0.00 ATOM 242 C SER 29 8.320 11.405 -6.517 1.00 0.00 ATOM 243 N GLU 30 8.364 10.078 -6.449 1.00 0.00 ATOM 244 CA GLU 30 8.869 9.250 -7.539 1.00 0.00 ATOM 245 CB GLU 30 8.875 7.775 -7.132 1.00 0.00 ATOM 246 CG GLU 30 9.471 6.837 -8.173 1.00 0.00 ATOM 247 CD GLU 30 9.526 5.423 -7.667 1.00 0.00 ATOM 248 OE1 GLU 30 9.134 5.197 -6.547 1.00 0.00 ATOM 249 OE2 GLU 30 9.853 4.550 -8.436 1.00 0.00 ATOM 250 O GLU 30 8.476 9.334 -9.913 1.00 0.00 ATOM 251 C GLU 30 8.033 9.450 -8.796 1.00 0.00 ATOM 252 N SER 31 6.733 9.724 -8.593 1.00 0.00 ATOM 253 CA SER 31 5.873 9.986 -9.715 1.00 0.00 ATOM 254 CB SER 31 4.443 10.167 -9.247 1.00 0.00 ATOM 255 OG SER 31 3.582 10.499 -10.301 1.00 0.00 ATOM 256 O SER 31 6.720 12.217 -9.960 1.00 0.00 ATOM 257 C SER 31 6.298 11.209 -10.525 1.00 0.00 ATOM 258 N HIS 32 6.195 11.126 -11.845 1.00 0.00 ATOM 259 CA HIS 32 6.568 12.248 -12.704 1.00 0.00 ATOM 260 CB HIS 32 7.234 11.746 -13.990 1.00 0.00 ATOM 261 CG HIS 32 8.518 11.012 -13.755 1.00 0.00 ATOM 262 CD2 HIS 32 8.817 9.693 -13.822 1.00 0.00 ATOM 263 ND1 HIS 32 9.688 11.654 -13.405 1.00 0.00 ATOM 264 CE1 HIS 32 10.651 10.760 -13.266 1.00 0.00 ATOM 265 NE2 HIS 32 10.148 9.564 -13.513 1.00 0.00 ATOM 266 O HIS 32 4.416 12.580 -13.740 1.00 0.00 ATOM 267 C HIS 32 5.272 13.006 -12.959 1.00 0.00 ATOM 268 N PHE 33 5.113 14.083 -12.085 1.00 0.00 ATOM 269 CA PHE 33 3.933 14.901 -12.171 1.00 0.00 ATOM 270 CB PHE 33 4.099 16.173 -11.335 1.00 0.00 ATOM 271 CG PHE 33 2.887 17.059 -11.332 1.00 0.00 ATOM 272 CD1 PHE 33 1.791 16.754 -10.544 1.00 0.00 ATOM 273 CD2 PHE 33 2.843 18.198 -12.116 1.00 0.00 ATOM 274 CE1 PHE 33 0.676 17.570 -10.541 1.00 0.00 ATOM 275 CE2 PHE 33 1.729 19.014 -12.113 1.00 0.00 ATOM 276 CZ PHE 33 0.647 18.705 -11.330 1.00 0.00 ATOM 277 O PHE 33 2.332 14.978 -13.951 1.00 0.00 ATOM 278 C PHE 33 3.476 15.186 -13.606 1.00 0.00 ATOM 279 N LYS 34 4.381 15.682 -14.444 1.00 0.00 ATOM 280 CA LYS 34 4.003 16.101 -15.799 1.00 0.00 ATOM 281 CB LYS 34 5.103 16.966 -16.418 1.00 0.00 ATOM 282 CG LYS 34 5.254 18.342 -15.782 1.00 0.00 ATOM 283 CD LYS 34 6.359 19.143 -16.454 1.00 0.00 ATOM 284 CE LYS 34 6.515 20.516 -15.817 1.00 0.00 ATOM 285 NZ LYS 34 7.605 21.305 -16.450 1.00 0.00 ATOM 286 O LYS 34 2.880 15.057 -17.660 1.00 0.00 ATOM 287 C LYS 34 3.705 14.935 -16.744 1.00 0.00 ATOM 288 N THR 35 4.414 13.754 -16.545 1.00 0.00 ATOM 289 CA THR 35 4.296 12.672 -17.520 1.00 0.00 ATOM 290 CB THR 35 5.630 11.923 -17.696 1.00 0.00 ATOM 291 CG2 THR 35 6.721 12.877 -18.157 1.00 0.00 ATOM 292 OG1 THR 35 6.015 11.328 -16.450 1.00 0.00 ATOM 293 O THR 35 2.950 10.818 -18.194 1.00 0.00 ATOM 294 C THR 35 3.265 11.578 -17.280 1.00 0.00 ATOM 295 N GLY 36 2.747 11.491 -16.057 1.00 0.00 ATOM 296 CA GLY 36 1.759 10.461 -15.696 1.00 0.00 ATOM 297 O GLY 36 1.045 12.018 -14.052 1.00 0.00 ATOM 298 C GLY 36 0.807 10.968 -14.631 1.00 0.00 ATOM 299 N ASP 37 -0.261 10.221 -14.367 1.00 0.00 ATOM 300 CA ASP 37 -1.221 10.615 -13.332 1.00 0.00 ATOM 301 CB ASP 37 -2.640 10.645 -13.899 1.00 0.00 ATOM 302 CG ASP 37 -2.812 11.691 -14.984 1.00 0.00 ATOM 303 OD1 ASP 37 -2.395 12.847 -14.765 1.00 0.00 ATOM 304 OD2 ASP 37 -3.365 11.353 -16.052 1.00 0.00 ATOM 305 O ASP 37 -0.562 8.529 -12.368 1.00 0.00 ATOM 306 C ASP 37 -1.145 9.597 -12.200 1.00 0.00 ATOM 307 N VAL 38 -1.720 9.926 -11.049 1.00 0.00 ATOM 308 CA VAL 38 -1.662 9.009 -9.915 1.00 0.00 ATOM 309 CB VAL 38 -1.764 9.762 -8.575 1.00 0.00 ATOM 310 CG1 VAL 38 -0.616 10.750 -8.432 1.00 0.00 ATOM 311 CG2 VAL 38 -3.074 10.531 -8.495 1.00 0.00 ATOM 312 O VAL 38 -3.749 8.168 -10.622 1.00 0.00 ATOM 313 C VAL 38 -2.739 7.935 -10.004 1.00 0.00 ATOM 314 N LEU 39 -2.578 6.808 -9.191 1.00 0.00 ATOM 315 CA LEU 39 -3.585 5.740 -9.246 1.00 0.00 ATOM 316 CB LEU 39 -3.140 4.545 -8.394 1.00 0.00 ATOM 317 CG LEU 39 -1.898 3.804 -8.908 1.00 0.00 ATOM 318 CD1 LEU 39 -1.484 2.728 -7.913 1.00 0.00 ATOM 319 CD2 LEU 39 -2.198 3.194 -10.268 1.00 0.00 ATOM 320 O LEU 39 -4.987 7.048 -7.783 1.00 0.00 ATOM 321 C LEU 39 -4.924 6.307 -8.771 1.00 0.00 ATOM 322 N ARG 40 -5.988 5.960 -9.488 1.00 0.00 ATOM 323 CA ARG 40 -7.329 6.439 -9.187 1.00 0.00 ATOM 324 CB ARG 40 -7.947 7.188 -10.358 1.00 0.00 ATOM 325 CG ARG 40 -7.228 8.469 -10.748 1.00 0.00 ATOM 326 CD ARG 40 -7.840 9.191 -11.894 1.00 0.00 ATOM 327 NE ARG 40 -7.178 10.438 -12.243 1.00 0.00 ATOM 328 CZ ARG 40 -7.435 11.154 -13.355 1.00 0.00 ATOM 329 NH1 ARG 40 -8.308 10.735 -14.244 1.00 0.00 ATOM 330 NH2 ARG 40 -6.767 12.279 -13.540 1.00 0.00 ATOM 331 O ARG 40 -7.974 4.128 -9.006 1.00 0.00 ATOM 332 C ARG 40 -8.226 5.303 -8.717 1.00 0.00 ATOM 333 N VAL 41 -9.293 5.673 -8.007 1.00 0.00 ATOM 334 CA VAL 41 -10.279 4.715 -7.522 1.00 0.00 ATOM 335 CB VAL 41 -11.346 5.398 -6.646 1.00 0.00 ATOM 336 CG1 VAL 41 -10.703 6.037 -5.424 1.00 0.00 ATOM 337 CG2 VAL 41 -12.110 6.440 -7.450 1.00 0.00 ATOM 338 O VAL 41 -11.157 4.716 -9.740 1.00 0.00 ATOM 339 C VAL 41 -10.910 4.054 -8.740 1.00 0.00 ATOM 340 N GLY 42 -11.151 2.750 -8.660 1.00 0.00 ATOM 341 CA GLY 42 -11.758 2.036 -9.759 1.00 0.00 ATOM 342 O GLY 42 -11.185 0.576 -11.520 1.00 0.00 ATOM 343 C GLY 42 -10.768 1.362 -10.684 1.00 0.00 ATOM 344 N ARG 43 -9.469 1.636 -10.565 1.00 0.00 ATOM 345 CA ARG 43 -8.524 0.995 -11.480 1.00 0.00 ATOM 346 CB ARG 43 -7.299 1.859 -11.739 1.00 0.00 ATOM 347 CG ARG 43 -7.580 3.165 -12.467 1.00 0.00 ATOM 348 CD ARG 43 -6.366 3.954 -12.797 1.00 0.00 ATOM 349 NE ARG 43 -6.633 5.215 -13.472 1.00 0.00 ATOM 350 CZ ARG 43 -5.686 6.093 -13.855 1.00 0.00 ATOM 351 NH1 ARG 43 -4.415 5.873 -13.599 1.00 0.00 ATOM 352 NH2 ARG 43 -6.070 7.196 -14.472 1.00 0.00 ATOM 353 O ARG 43 -8.263 -0.762 -9.864 1.00 0.00 ATOM 354 C ARG 43 -8.101 -0.396 -11.031 1.00 0.00 ATOM 355 N PHE 44 -7.554 -1.163 -11.967 1.00 0.00 ATOM 356 CA PHE 44 -7.118 -2.519 -11.682 1.00 0.00 ATOM 357 CB PHE 44 -7.796 -3.509 -12.631 1.00 0.00 ATOM 358 CG PHE 44 -9.285 -3.596 -12.453 1.00 0.00 ATOM 359 CD1 PHE 44 -10.136 -2.821 -13.227 1.00 0.00 ATOM 360 CD2 PHE 44 -9.838 -4.451 -11.512 1.00 0.00 ATOM 361 CE1 PHE 44 -11.506 -2.899 -13.065 1.00 0.00 ATOM 362 CE2 PHE 44 -11.207 -4.533 -11.349 1.00 0.00 ATOM 363 CZ PHE 44 -12.042 -3.756 -12.126 1.00 0.00 ATOM 364 O PHE 44 -4.910 -2.077 -12.483 1.00 0.00 ATOM 365 C PHE 44 -5.627 -2.754 -11.760 1.00 0.00 ATOM 366 N GLU 45 -5.167 -3.751 -11.019 1.00 0.00 ATOM 367 CA GLU 45 -3.755 -4.106 -11.021 1.00 0.00 ATOM 368 CB GLU 45 -3.486 -5.241 -10.031 1.00 0.00 ATOM 369 CG GLU 45 -2.012 -5.548 -9.810 1.00 0.00 ATOM 370 CD GLU 45 -1.824 -6.589 -8.741 1.00 0.00 ATOM 371 OE1 GLU 45 -2.317 -6.396 -7.657 1.00 0.00 ATOM 372 OE2 GLU 45 -1.285 -7.629 -9.042 1.00 0.00 ATOM 373 O GLU 45 -3.985 -5.215 -13.133 1.00 0.00 ATOM 374 C GLU 45 -3.301 -4.505 -12.421 1.00 0.00 ATOM 375 N ASP 46 -2.084 -4.028 -12.752 1.00 0.00 ATOM 376 CA ASP 46 -1.553 -4.340 -14.049 1.00 0.00 ATOM 377 CB ASP 46 -0.249 -3.576 -14.292 1.00 0.00 ATOM 378 CG ASP 46 -0.477 -2.098 -14.537 1.00 0.00 ATOM 379 OD1 ASP 46 -1.642 -1.705 -14.764 1.00 0.00 ATOM 380 OD2 ASP 46 0.508 -1.331 -14.503 1.00 0.00 ATOM 381 O ASP 46 -1.407 -6.359 -15.244 1.00 0.00 ATOM 382 C ASP 46 -1.266 -5.804 -14.175 1.00 0.00 ATOM 383 N ASP 47 -0.832 -6.427 -13.093 1.00 0.00 ATOM 384 CA ASP 47 -0.519 -7.884 -13.202 1.00 0.00 ATOM 385 CB ASP 47 0.545 -8.283 -12.176 1.00 0.00 ATOM 386 CG ASP 47 0.984 -9.739 -12.260 1.00 0.00 ATOM 387 OD1 ASP 47 0.405 -10.471 -13.028 1.00 0.00 ATOM 388 OD2 ASP 47 1.989 -10.069 -11.678 1.00 0.00 ATOM 389 O ASP 47 -2.315 -8.820 -11.850 1.00 0.00 ATOM 390 C ASP 47 -1.862 -8.630 -12.994 1.00 0.00 ATOM 391 N GLY 48 -2.509 -8.986 -14.051 1.00 0.00 ATOM 392 CA GLY 48 -3.816 -9.622 -14.075 1.00 0.00 ATOM 393 O GLY 48 -4.930 -11.630 -13.360 1.00 0.00 ATOM 394 C GLY 48 -3.877 -11.059 -13.592 1.00 0.00 ATOM 395 N TYR 49 -2.693 -11.633 -13.482 1.00 0.00 ATOM 396 CA TYR 49 -2.520 -13.025 -13.041 1.00 0.00 ATOM 397 CB TYR 49 -1.047 -13.432 -13.122 1.00 0.00 ATOM 398 CG TYR 49 -0.782 -14.863 -12.707 1.00 0.00 ATOM 399 CD1 TYR 49 -1.012 -15.914 -13.583 1.00 0.00 ATOM 400 CD2 TYR 49 -0.303 -15.158 -11.439 1.00 0.00 ATOM 401 CE1 TYR 49 -0.772 -17.222 -13.208 1.00 0.00 ATOM 402 CE2 TYR 49 -0.060 -16.462 -11.054 1.00 0.00 ATOM 403 CZ TYR 49 -0.296 -17.492 -11.941 1.00 0.00 ATOM 404 OH TYR 49 -0.054 -18.792 -11.563 1.00 0.00 ATOM 405 O TYR 49 -3.868 -14.255 -11.490 1.00 0.00 ATOM 406 C TYR 49 -2.981 -13.420 -11.641 1.00 0.00 ATOM 407 N PHE 50 -2.263 -12.967 -10.463 1.00 0.00 ATOM 408 CA PHE 50 -2.626 -13.289 -9.091 1.00 0.00 ATOM 409 CB PHE 50 -1.694 -12.573 -8.111 1.00 0.00 ATOM 410 CG PHE 50 -0.343 -13.216 -7.980 1.00 0.00 ATOM 411 CD1 PHE 50 0.749 -12.714 -8.672 1.00 0.00 ATOM 412 CD2 PHE 50 -0.160 -14.323 -7.166 1.00 0.00 ATOM 413 CE1 PHE 50 1.994 -13.304 -8.553 1.00 0.00 ATOM 414 CE2 PHE 50 1.082 -14.914 -7.044 1.00 0.00 ATOM 415 CZ PHE 50 2.160 -14.404 -7.739 1.00 0.00 ATOM 416 O PHE 50 -4.927 -13.658 -8.622 1.00 0.00 ATOM 417 C PHE 50 -4.060 -12.863 -8.989 1.00 0.00 ATOM 418 N CYS 51 -4.300 -11.594 -9.305 1.00 0.00 ATOM 419 CA CYS 51 -5.635 -11.029 -9.223 1.00 0.00 ATOM 420 CB CYS 51 -6.138 -11.011 -7.750 1.00 0.00 ATOM 421 SG CYS 51 -5.358 -9.804 -6.619 1.00 0.00 ATOM 422 O CYS 51 -4.635 -9.048 -10.111 1.00 0.00 ATOM 423 C CYS 51 -5.663 -9.615 -9.751 1.00 0.00 ATOM 424 N THR 52 -6.868 -9.064 -9.808 1.00 0.00 ATOM 425 CA THR 52 -7.064 -7.688 -10.215 1.00 0.00 ATOM 426 CB THR 52 -7.906 -7.593 -11.501 1.00 0.00 ATOM 427 CG2 THR 52 -7.230 -8.345 -12.637 1.00 0.00 ATOM 428 OG1 THR 52 -9.204 -8.153 -11.268 1.00 0.00 ATOM 429 O THR 52 -8.607 -7.652 -8.375 1.00 0.00 ATOM 430 C THR 52 -7.741 -7.047 -9.010 1.00 0.00 ATOM 431 N ILE 53 -7.341 -5.826 -8.691 1.00 0.00 ATOM 432 CA ILE 53 -7.898 -5.121 -7.548 1.00 0.00 ATOM 433 CB ILE 53 -6.841 -4.897 -6.451 1.00 0.00 ATOM 434 CG1 ILE 53 -5.693 -4.035 -6.984 1.00 0.00 ATOM 435 CG2 ILE 53 -6.317 -6.231 -5.939 1.00 0.00 ATOM 436 CD1 ILE 53 -5.901 -2.552 -6.785 1.00 0.00 ATOM 437 O ILE 53 -8.051 -3.209 -8.971 1.00 0.00 ATOM 438 C ILE 53 -8.472 -3.786 -7.972 1.00 0.00 ATOM 439 N GLU 54 -9.426 -3.290 -7.197 1.00 0.00 ATOM 440 CA GLU 54 -10.013 -1.995 -7.479 1.00 0.00 ATOM 441 CB GLU 54 -11.523 -2.126 -7.689 1.00 0.00 ATOM 442 CG GLU 54 -12.232 -0.811 -7.986 1.00 0.00 ATOM 443 CD GLU 54 -13.705 -1.023 -8.202 1.00 0.00 ATOM 444 OE1 GLU 54 -14.151 -2.138 -8.076 1.00 0.00 ATOM 445 OE2 GLU 54 -14.403 -0.053 -8.380 1.00 0.00 ATOM 446 O GLU 54 -9.764 -1.523 -5.143 1.00 0.00 ATOM 447 C GLU 54 -9.655 -1.107 -6.298 1.00 0.00 ATOM 448 N VAL 55 -9.162 0.091 -6.598 1.00 0.00 ATOM 449 CA VAL 55 -8.762 1.042 -5.567 1.00 0.00 ATOM 450 CB VAL 55 -7.726 2.049 -6.099 1.00 0.00 ATOM 451 CG1 VAL 55 -7.379 3.073 -5.028 1.00 0.00 ATOM 452 CG2 VAL 55 -6.472 1.328 -6.568 1.00 0.00 ATOM 453 O VAL 55 -10.731 2.396 -5.824 1.00 0.00 ATOM 454 C VAL 55 -9.996 1.784 -5.049 1.00 0.00 ATOM 455 N THR 56 -10.233 1.693 -3.763 1.00 0.00 ATOM 456 CA THR 56 -11.365 2.390 -3.159 1.00 0.00 ATOM 457 CB THR 56 -11.979 1.549 -2.025 1.00 0.00 ATOM 458 CG2 THR 56 -12.438 0.198 -2.553 1.00 0.00 ATOM 459 OG1 THR 56 -11.002 1.338 -0.998 1.00 0.00 ATOM 460 O THR 56 -11.947 4.574 -2.370 1.00 0.00 ATOM 461 C THR 56 -11.043 3.769 -2.602 1.00 0.00 ATOM 462 N ALA 57 -9.754 4.080 -2.420 1.00 0.00 ATOM 463 CA ALA 57 -9.371 5.378 -1.888 1.00 0.00 ATOM 464 CB ALA 57 -9.668 5.409 -0.396 1.00 0.00 ATOM 465 O ALA 57 -7.091 4.709 -2.223 1.00 0.00 ATOM 466 C ALA 57 -7.880 5.638 -2.076 1.00 0.00 ATOM 467 N THR 58 -7.497 6.906 -2.006 1.00 0.00 ATOM 468 CA THR 58 -6.097 7.299 -2.134 1.00 0.00 ATOM 469 CB THR 58 -5.767 7.747 -3.570 1.00 0.00 ATOM 470 CG2 THR 58 -5.939 6.590 -4.542 1.00 0.00 ATOM 471 OG1 THR 58 -6.644 8.813 -3.955 1.00 0.00 ATOM 472 O THR 58 -6.479 9.520 -1.284 1.00 0.00 ATOM 473 C THR 58 -5.859 8.456 -1.172 1.00 0.00 ATOM 474 N SER 59 -4.840 8.294 -0.232 1.00 0.00 ATOM 475 CA SER 59 -4.510 9.331 0.724 1.00 0.00 ATOM 476 CB SER 59 -5.054 8.972 2.092 1.00 0.00 ATOM 477 OG SER 59 -4.732 9.937 3.057 1.00 0.00 ATOM 478 O SER 59 -2.274 8.533 0.710 1.00 0.00 ATOM 479 C SER 59 -3.008 9.515 0.754 1.00 0.00 ATOM 480 N THR 60 -2.554 10.767 0.804 1.00 0.00 ATOM 481 CA THR 60 -1.127 11.064 0.871 1.00 0.00 ATOM 482 CB THR 60 -0.799 12.412 0.201 1.00 0.00 ATOM 483 CG2 THR 60 0.688 12.711 0.307 1.00 0.00 ATOM 484 OG1 THR 60 -1.163 12.359 -1.184 1.00 0.00 ATOM 485 O THR 60 -1.292 11.783 3.170 1.00 0.00 ATOM 486 C THR 60 -0.673 11.099 2.340 1.00 0.00 ATOM 487 N VAL 61 0.350 10.360 2.689 1.00 0.00 ATOM 488 CA VAL 61 0.844 10.310 4.082 1.00 0.00 ATOM 489 CB VAL 61 0.269 9.100 4.842 1.00 0.00 ATOM 490 CG1 VAL 61 0.649 9.166 6.313 1.00 0.00 ATOM 491 CG2 VAL 61 -1.243 9.041 4.685 1.00 0.00 ATOM 492 O VAL 61 3.053 9.604 3.421 1.00 0.00 ATOM 493 C VAL 61 2.361 10.247 4.218 1.00 0.00 ATOM 494 N THR 62 2.902 10.937 5.229 1.00 0.00 ATOM 495 CA THR 62 4.347 10.932 5.462 1.00 0.00 ATOM 496 CB THR 62 4.788 12.147 6.299 1.00 0.00 ATOM 497 CG2 THR 62 4.416 13.443 5.593 1.00 0.00 ATOM 498 OG1 THR 62 4.150 12.105 7.581 1.00 0.00 ATOM 499 O THR 62 3.835 9.118 6.955 1.00 0.00 ATOM 500 C THR 62 4.652 9.606 6.173 1.00 0.00 ATOM 501 N LEU 63 5.924 9.053 5.963 1.00 0.00 ATOM 502 CA LEU 63 6.300 7.815 6.637 1.00 0.00 ATOM 503 CB LEU 63 7.722 7.403 6.233 1.00 0.00 ATOM 504 CG LEU 63 8.033 5.908 6.377 1.00 0.00 ATOM 505 CD1 LEU 63 8.164 5.542 7.848 1.00 0.00 ATOM 506 CD2 LEU 63 6.933 5.093 5.713 1.00 0.00 ATOM 507 O LEU 63 5.620 7.110 8.832 1.00 0.00 ATOM 508 C LEU 63 6.203 7.953 8.151 1.00 0.00 ATOM 509 N ASP 64 6.759 9.047 8.657 1.00 0.00 ATOM 510 CA ASP 64 6.748 9.335 10.079 1.00 0.00 ATOM 511 CB ASP 64 7.596 10.572 10.381 1.00 0.00 ATOM 512 CG ASP 64 9.082 10.309 10.243 1.00 0.00 ATOM 513 OD1 ASP 64 9.471 9.123 10.160 1.00 0.00 ATOM 514 OD2 ASP 64 9.859 11.286 10.216 1.00 0.00 ATOM 515 O ASP 64 5.334 9.628 11.924 1.00 0.00 ATOM 516 C ASP 64 5.385 9.616 10.694 1.00 0.00 ATOM 517 N THR 65 4.438 9.572 9.670 1.00 0.00 ATOM 518 CA THR 65 3.104 9.730 10.206 1.00 0.00 ATOM 519 CB THR 65 2.507 11.102 9.840 1.00 0.00 ATOM 520 CG2 THR 65 3.348 12.224 10.429 1.00 0.00 ATOM 521 OG1 THR 65 2.474 11.246 8.415 1.00 0.00 ATOM 522 O THR 65 0.802 9.109 9.837 1.00 0.00 ATOM 523 C THR 65 1.989 8.772 9.805 1.00 0.00 ATOM 524 N LEU 66 2.365 7.546 9.479 1.00 0.00 ATOM 525 CA LEU 66 1.367 6.565 9.100 1.00 0.00 ATOM 526 CB LEU 66 2.038 5.294 8.573 1.00 0.00 ATOM 527 CG LEU 66 2.813 5.431 7.261 1.00 0.00 ATOM 528 CD1 LEU 66 3.532 4.133 6.924 1.00 0.00 ATOM 529 CD2 LEU 66 1.873 5.767 6.115 1.00 0.00 ATOM 530 O LEU 66 1.097 6.052 11.427 1.00 0.00 ATOM 531 C LEU 66 0.542 6.240 10.343 1.00 0.00 ATOM 532 N THR 67 -0.875 6.130 10.160 1.00 0.00 ATOM 533 CA THR 67 -1.740 5.793 11.289 1.00 0.00 ATOM 534 CB THR 67 -3.210 6.149 11.002 1.00 0.00 ATOM 535 CG2 THR 67 -3.351 7.634 10.708 1.00 0.00 ATOM 536 OG1 THR 67 -3.675 5.397 9.874 1.00 0.00 ATOM 537 O THR 67 -1.197 3.531 10.725 1.00 0.00 ATOM 538 C THR 67 -1.605 4.301 11.589 1.00 0.00 ATOM 539 N GLU 68 -1.896 3.917 12.820 1.00 0.00 ATOM 540 CA GLU 68 -1.801 2.508 13.187 1.00 0.00 ATOM 541 CB GLU 68 -1.954 2.338 14.700 1.00 0.00 ATOM 542 CG GLU 68 -0.776 2.857 15.514 1.00 0.00 ATOM 543 CD GLU 68 -1.040 2.745 16.989 1.00 0.00 ATOM 544 OE1 GLU 68 -2.120 2.343 17.352 1.00 0.00 ATOM 545 OE2 GLU 68 -0.127 2.953 17.752 1.00 0.00 ATOM 546 O GLU 68 -2.612 0.489 12.194 1.00 0.00 ATOM 547 C GLU 68 -2.855 1.679 12.453 1.00 0.00 ATOM 548 N LYS 69 -4.026 2.239 12.152 1.00 0.00 ATOM 549 CA LYS 69 -5.028 1.460 11.383 1.00 0.00 ATOM 550 CB LYS 69 -6.305 2.283 11.202 1.00 0.00 ATOM 551 CG LYS 69 -7.439 1.530 10.525 1.00 0.00 ATOM 552 CD LYS 69 -8.699 2.376 10.454 1.00 0.00 ATOM 553 CE LYS 69 -9.822 1.635 9.746 1.00 0.00 ATOM 554 NZ LYS 69 -11.047 2.473 9.621 1.00 0.00 ATOM 555 O LYS 69 -4.589 -0.040 9.551 1.00 0.00 ATOM 556 C LYS 69 -4.503 1.110 9.990 1.00 0.00 ATOM 557 N HIS 70 -3.990 2.089 9.306 1.00 0.00 ATOM 558 CA HIS 70 -3.461 1.857 7.965 1.00 0.00 ATOM 559 CB HIS 70 -3.078 3.181 7.297 1.00 0.00 ATOM 560 CG HIS 70 -4.256 4.028 6.923 1.00 0.00 ATOM 561 CD2 HIS 70 -5.575 3.734 6.840 1.00 0.00 ATOM 562 ND1 HIS 70 -4.136 5.359 6.581 1.00 0.00 ATOM 563 CE1 HIS 70 -5.332 5.847 6.301 1.00 0.00 ATOM 564 NE2 HIS 70 -6.221 4.882 6.452 1.00 0.00 ATOM 565 O HIS 70 -2.022 0.069 7.256 1.00 0.00 ATOM 566 C HIS 70 -2.268 0.922 8.109 1.00 0.00 ATOM 567 N ALA 71 -1.585 1.103 9.189 1.00 0.00 ATOM 568 CA ALA 71 -0.423 0.270 9.452 1.00 0.00 ATOM 569 CB ALA 71 0.329 0.847 10.622 1.00 0.00 ATOM 570 O ALA 71 -0.219 -2.090 9.083 1.00 0.00 ATOM 571 C ALA 71 -0.861 -1.185 9.611 1.00 0.00 ATOM 572 N GLU 72 -1.902 -1.422 10.388 1.00 0.00 ATOM 573 CA GLU 72 -2.392 -2.778 10.572 1.00 0.00 ATOM 574 CB GLU 72 -3.642 -2.782 11.456 1.00 0.00 ATOM 575 CG GLU 72 -4.210 -4.165 11.736 1.00 0.00 ATOM 576 CD GLU 72 -5.416 -4.089 12.630 1.00 0.00 ATOM 577 OE1 GLU 72 -5.772 -3.006 13.026 1.00 0.00 ATOM 578 OE2 GLU 72 -6.049 -5.100 12.826 1.00 0.00 ATOM 579 O GLU 72 -2.237 -4.493 8.888 1.00 0.00 ATOM 580 C GLU 72 -2.679 -3.391 9.201 1.00 0.00 ATOM 581 N GLN 73 -3.465 -2.668 8.412 1.00 0.00 ATOM 582 CA GLN 73 -3.870 -3.102 7.083 1.00 0.00 ATOM 583 CB GLN 73 -4.786 -2.060 6.435 1.00 0.00 ATOM 584 CG GLN 73 -6.153 -1.944 7.084 1.00 0.00 ATOM 585 CD GLN 73 -6.970 -3.216 6.949 1.00 0.00 ATOM 586 OE1 GLN 73 -7.075 -3.789 5.862 1.00 0.00 ATOM 587 NE2 GLN 73 -7.556 -3.662 8.054 1.00 0.00 ATOM 588 O GLN 73 -2.570 -4.476 5.607 1.00 0.00 ATOM 589 C GLN 73 -2.707 -3.369 6.132 1.00 0.00 ATOM 590 N GLU 74 -1.799 -2.335 5.928 1.00 0.00 ATOM 591 CA GLU 74 -0.653 -2.495 5.040 1.00 0.00 ATOM 592 CB GLU 74 0.089 -1.167 4.878 1.00 0.00 ATOM 593 CG GLU 74 -0.655 -0.128 4.050 1.00 0.00 ATOM 594 CD GLU 74 -0.067 1.243 4.238 1.00 0.00 ATOM 595 OE1 GLU 74 1.105 1.404 3.999 1.00 0.00 ATOM 596 OE2 GLU 74 -0.812 2.153 4.513 1.00 0.00 ATOM 597 O GLU 74 1.145 -4.020 4.643 1.00 0.00 ATOM 598 C GLU 74 0.366 -3.545 5.465 1.00 0.00 ATOM 599 N ASN 75 0.390 -3.906 6.735 1.00 0.00 ATOM 600 CA ASN 75 1.308 -4.945 7.211 1.00 0.00 ATOM 601 CB ASN 75 0.941 -6.308 6.653 1.00 0.00 ATOM 602 CG ASN 75 1.574 -7.454 7.391 1.00 0.00 ATOM 603 ND2 ASN 75 1.852 -8.508 6.666 1.00 0.00 ATOM 604 OD1 ASN 75 1.876 -7.359 8.587 1.00 0.00 ATOM 605 O ASN 75 3.486 -5.529 6.406 1.00 0.00 ATOM 606 C ASN 75 2.758 -4.649 6.888 1.00 0.00 ATOM 607 N MET 76 3.185 -3.413 7.143 1.00 0.00 ATOM 608 CA MET 76 4.573 -2.990 6.903 1.00 0.00 ATOM 609 CB MET 76 4.606 -1.812 5.932 1.00 0.00 ATOM 610 CG MET 76 3.933 -2.081 4.593 1.00 0.00 ATOM 611 SD MET 76 4.021 -0.668 3.475 1.00 0.00 ATOM 612 CE MET 76 3.207 -1.332 2.025 1.00 0.00 ATOM 613 O MET 76 4.495 -2.015 9.079 1.00 0.00 ATOM 614 C MET 76 5.166 -2.645 8.275 1.00 0.00 ATOM 615 N THR 77 6.421 -2.998 8.544 1.00 0.00 ATOM 616 CA THR 77 6.969 -2.670 9.863 1.00 0.00 ATOM 617 CB THR 77 8.188 -3.548 10.202 1.00 0.00 ATOM 618 CG2 THR 77 8.737 -3.191 11.575 1.00 0.00 ATOM 619 OG1 THR 77 7.801 -4.927 10.202 1.00 0.00 ATOM 620 O THR 77 8.192 -0.787 9.005 1.00 0.00 ATOM 621 C THR 77 7.389 -1.201 9.825 1.00 0.00 ATOM 622 N LEU 78 6.803 -0.378 10.686 1.00 0.00 ATOM 623 CA LEU 78 7.105 1.042 10.736 1.00 0.00 ATOM 624 CB LEU 78 6.287 1.719 11.843 1.00 0.00 ATOM 625 CG LEU 78 4.782 1.828 11.568 1.00 0.00 ATOM 626 CD1 LEU 78 4.061 2.342 12.807 1.00 0.00 ATOM 627 CD2 LEU 78 4.548 2.757 10.386 1.00 0.00 ATOM 628 O LEU 78 9.090 2.261 10.234 1.00 0.00 ATOM 629 C LEU 78 8.555 1.417 10.950 1.00 0.00 ATOM 630 N THR 79 9.212 0.801 11.920 1.00 0.00 ATOM 631 CA THR 79 10.595 1.171 12.166 1.00 0.00 ATOM 632 CB THR 79 11.147 0.486 13.431 1.00 0.00 ATOM 633 CG2 THR 79 12.609 0.849 13.638 1.00 0.00 ATOM 634 OG1 THR 79 10.387 0.902 14.573 1.00 0.00 ATOM 635 O THR 79 12.406 1.554 10.677 1.00 0.00 ATOM 636 C THR 79 11.481 0.820 10.995 1.00 0.00 ATOM 637 N GLU 80 11.180 -0.285 10.334 1.00 0.00 ATOM 638 CA GLU 80 11.978 -0.693 9.190 1.00 0.00 ATOM 639 CB GLU 80 11.472 -2.024 8.629 1.00 0.00 ATOM 640 CG GLU 80 12.280 -2.550 7.455 1.00 0.00 ATOM 641 CD GLU 80 11.770 -3.884 6.948 1.00 0.00 ATOM 642 OE1 GLU 80 10.793 -4.405 7.527 1.00 0.00 ATOM 643 OE2 GLU 80 12.348 -4.412 5.974 1.00 0.00 ATOM 644 O GLU 80 12.885 0.802 7.544 1.00 0.00 ATOM 645 C GLU 80 11.879 0.382 8.114 1.00 0.00 ATOM 646 N LEU 81 10.652 0.818 7.853 1.00 0.00 ATOM 647 CA LEU 81 10.404 1.855 6.858 1.00 0.00 ATOM 648 CB LEU 81 8.895 2.079 6.690 1.00 0.00 ATOM 649 CG LEU 81 8.135 0.929 6.017 1.00 0.00 ATOM 650 CD1 LEU 81 6.636 1.188 6.076 1.00 0.00 ATOM 651 CD2 LEU 81 8.602 0.785 4.576 1.00 0.00 ATOM 652 O LEU 81 11.683 3.841 6.423 1.00 0.00 ATOM 653 C LEU 81 11.104 3.147 7.262 1.00 0.00 ATOM 654 N LYS 82 11.025 3.504 8.546 1.00 0.00 ATOM 655 CA LYS 82 11.638 4.729 9.036 1.00 0.00 ATOM 656 CB LYS 82 11.245 4.978 10.493 1.00 0.00 ATOM 657 CG LYS 82 9.786 5.368 10.693 1.00 0.00 ATOM 658 CD LYS 82 9.473 5.600 12.164 1.00 0.00 ATOM 659 CE LYS 82 8.010 5.966 12.367 1.00 0.00 ATOM 660 NZ LYS 82 7.681 6.168 13.805 1.00 0.00 ATOM 661 O LYS 82 13.748 5.832 8.639 1.00 0.00 ATOM 662 C LYS 82 13.170 4.789 8.952 1.00 0.00 ATOM 663 N LYS 83 13.819 3.658 9.212 1.00 0.00 ATOM 664 CA LYS 83 15.277 3.537 9.166 1.00 0.00 ATOM 665 CB LYS 83 15.714 2.148 9.635 1.00 0.00 ATOM 666 CG LYS 83 17.221 1.926 9.627 1.00 0.00 ATOM 667 CD LYS 83 17.579 0.542 10.145 1.00 0.00 ATOM 668 CE LYS 83 19.083 0.312 10.118 1.00 0.00 ATOM 669 NZ LYS 83 19.447 -1.051 10.593 1.00 0.00 ATOM 670 O LYS 83 16.564 4.716 7.518 1.00 0.00 ATOM 671 C LYS 83 15.760 3.816 7.746 1.00 0.00 ATOM 672 N VAL 84 15.269 3.027 6.800 1.00 0.00 ATOM 673 CA VAL 84 15.655 3.169 5.403 1.00 0.00 ATOM 674 CB VAL 84 15.065 2.041 4.536 1.00 0.00 ATOM 675 CG1 VAL 84 15.317 2.315 3.061 1.00 0.00 ATOM 676 CG2 VAL 84 15.656 0.697 4.935 1.00 0.00 ATOM 677 O VAL 84 16.012 5.160 4.115 1.00 0.00 ATOM 678 C VAL 84 15.225 4.508 4.802 1.00 0.00 ATOM 679 N ILE 85 13.990 4.934 5.060 1.00 0.00 ATOM 680 CA ILE 85 13.530 6.204 4.513 1.00 0.00 ATOM 681 CB ILE 85 12.022 6.409 4.750 1.00 0.00 ATOM 682 CG1 ILE 85 11.232 6.070 3.483 1.00 0.00 ATOM 683 CG2 ILE 85 11.742 7.837 5.190 1.00 0.00 ATOM 684 CD1 ILE 85 11.302 4.612 3.092 1.00 0.00 ATOM 685 O ILE 85 14.642 8.334 4.386 1.00 0.00 ATOM 686 C ILE 85 14.270 7.394 5.096 1.00 0.00 ATOM 687 N ALA 86 14.572 7.364 6.384 1.00 0.00 ATOM 688 CA ALA 86 15.332 8.443 7.022 1.00 0.00 ATOM 689 CB ALA 86 15.528 8.160 8.504 1.00 0.00 ATOM 690 O ALA 86 17.188 9.649 6.084 1.00 0.00 ATOM 691 C ALA 86 16.693 8.545 6.331 1.00 0.00 ATOM 692 N ASP 87 17.258 7.393 6.042 1.00 0.00 ATOM 693 CA ASP 87 18.556 7.354 5.360 1.00 0.00 ATOM 694 CB ASP 87 19.091 5.921 5.304 1.00 0.00 ATOM 695 CG ASP 87 19.587 5.383 6.639 1.00 0.00 ATOM 696 OD1 ASP 87 19.746 6.161 7.549 1.00 0.00 ATOM 697 OD2 ASP 87 19.654 4.186 6.787 1.00 0.00 ATOM 698 O ASP 87 19.215 8.739 3.477 1.00 0.00 ATOM 699 C ASP 87 18.385 7.948 3.949 1.00 0.00 ATOM 700 N ILE 88 17.284 7.576 3.299 1.00 0.00 ATOM 701 CA ILE 88 16.969 8.048 1.953 1.00 0.00 ATOM 702 CB ILE 88 15.652 7.441 1.436 1.00 0.00 ATOM 703 CG1 ILE 88 15.806 5.933 1.224 1.00 0.00 ATOM 704 CG2 ILE 88 15.223 8.122 0.145 1.00 0.00 ATOM 705 CD1 ILE 88 14.498 5.211 0.992 1.00 0.00 ATOM 706 O ILE 88 17.560 10.230 1.094 1.00 0.00 ATOM 707 C ILE 88 16.859 9.575 1.876 1.00 0.00 ATOM 708 N TYR 89 15.971 10.127 2.700 1.00 0.00 ATOM 709 CA TYR 89 15.728 11.571 2.713 1.00 0.00 ATOM 710 CB TYR 89 14.326 11.883 2.186 1.00 0.00 ATOM 711 CG TYR 89 14.153 11.611 0.707 1.00 0.00 ATOM 712 CD1 TYR 89 15.245 11.602 -0.148 1.00 0.00 ATOM 713 CD2 TYR 89 12.898 11.363 0.172 1.00 0.00 ATOM 714 CE1 TYR 89 15.093 11.355 -1.499 1.00 0.00 ATOM 715 CE2 TYR 89 12.733 11.114 -1.176 1.00 0.00 ATOM 716 CZ TYR 89 13.833 11.110 -2.009 1.00 0.00 ATOM 717 OH TYR 89 13.675 10.862 -3.353 1.00 0.00 ATOM 718 O TYR 89 15.513 11.336 5.062 1.00 0.00 ATOM 719 C TYR 89 15.919 12.053 4.139 1.00 0.00 ATOM 720 N PRO 90 16.491 13.246 4.337 1.00 0.00 ATOM 721 CA PRO 90 16.602 13.812 5.681 1.00 0.00 ATOM 722 CB PRO 90 17.592 14.968 5.516 1.00 0.00 ATOM 723 CG PRO 90 17.449 15.380 4.088 1.00 0.00 ATOM 724 CD PRO 90 17.179 14.119 3.316 1.00 0.00 ATOM 725 O PRO 90 15.241 14.609 7.443 1.00 0.00 ATOM 726 C PRO 90 15.284 14.325 6.249 1.00 0.00 ATOM 727 N GLY 91 14.219 14.442 5.458 1.00 0.00 ATOM 728 CA GLY 91 12.916 14.851 5.978 1.00 0.00 ATOM 729 O GLY 91 11.927 12.762 5.325 1.00 0.00 ATOM 730 C GLY 91 11.783 13.979 5.494 1.00 0.00 ATOM 731 N GLN 92 10.620 14.564 5.213 1.00 0.00 ATOM 732 CA GLN 92 9.473 13.824 4.719 1.00 0.00 ATOM 733 CB GLN 92 8.193 14.292 5.417 1.00 0.00 ATOM 734 CG GLN 92 8.113 13.916 6.887 1.00 0.00 ATOM 735 CD GLN 92 8.953 14.826 7.763 1.00 0.00 ATOM 736 OE1 GLN 92 9.029 16.037 7.532 1.00 0.00 ATOM 737 NE2 GLN 92 9.594 14.248 8.773 1.00 0.00 ATOM 738 O GLN 92 9.860 14.932 2.603 1.00 0.00 ATOM 739 C GLN 92 9.343 13.996 3.205 1.00 0.00 ATOM 740 N THR 93 9.145 12.477 3.613 1.00 0.00 ATOM 741 CA THR 93 8.648 11.868 2.376 1.00 0.00 ATOM 742 CB THR 93 9.347 10.527 2.086 1.00 0.00 ATOM 743 CG2 THR 93 9.434 9.685 3.349 1.00 0.00 ATOM 744 OG1 THR 93 8.613 9.809 1.086 1.00 0.00 ATOM 745 O THR 93 6.592 10.983 3.227 1.00 0.00 ATOM 746 C THR 93 7.158 11.591 2.320 1.00 0.00 ATOM 747 N GLN 94 6.527 12.054 1.250 1.00 0.00 ATOM 748 CA GLN 94 5.104 11.855 1.077 1.00 0.00 ATOM 749 CB GLN 94 4.477 13.059 0.369 1.00 0.00 ATOM 750 CG GLN 94 4.567 14.357 1.151 1.00 0.00 ATOM 751 CD GLN 94 3.960 15.528 0.402 1.00 0.00 ATOM 752 OE1 GLN 94 3.355 15.356 -0.660 1.00 0.00 ATOM 753 NE2 GLN 94 4.121 16.728 0.949 1.00 0.00 ATOM 754 O GLN 94 5.563 10.317 -0.701 1.00 0.00 ATOM 755 C GLN 94 4.865 10.578 0.280 1.00 0.00 ATOM 756 N PHE 95 3.904 9.768 0.734 1.00 0.00 ATOM 757 CA PHE 95 3.547 8.508 0.075 1.00 0.00 ATOM 758 CB PHE 95 3.759 7.329 1.026 1.00 0.00 ATOM 759 CG PHE 95 5.204 6.989 1.257 1.00 0.00 ATOM 760 CD1 PHE 95 5.901 7.544 2.320 1.00 0.00 ATOM 761 CD2 PHE 95 5.869 6.114 0.412 1.00 0.00 ATOM 762 CE1 PHE 95 7.230 7.231 2.534 1.00 0.00 ATOM 763 CE2 PHE 95 7.198 5.799 0.623 1.00 0.00 ATOM 764 CZ PHE 95 7.879 6.359 1.686 1.00 0.00 ATOM 765 O PHE 95 1.218 9.022 0.199 1.00 0.00 ATOM 766 C PHE 95 2.118 8.473 -0.437 1.00 0.00 ATOM 767 N TYR 96 1.925 7.840 -1.674 1.00 0.00 ATOM 768 CA TYR 96 0.582 7.709 -2.222 1.00 0.00 ATOM 769 CB TYR 96 0.582 8.048 -3.738 1.00 0.00 ATOM 770 CG TYR 96 -0.761 8.420 -4.321 1.00 0.00 ATOM 771 CD1 TYR 96 -1.278 9.692 -4.098 1.00 0.00 ATOM 772 CD2 TYR 96 -1.524 7.560 -5.026 1.00 0.00 ATOM 773 CE1 TYR 96 -2.504 10.033 -4.590 1.00 0.00 ATOM 774 CE2 TYR 96 -2.740 7.905 -5.543 1.00 0.00 ATOM 775 CZ TYR 96 -3.234 9.170 -5.333 1.00 0.00 ATOM 776 OH TYR 96 -4.447 9.529 -5.823 1.00 0.00 ATOM 777 O TYR 96 0.517 5.310 -2.095 1.00 0.00 ATOM 778 C TYR 96 0.043 6.375 -1.698 1.00 0.00 ATOM 779 N VAL 97 -0.922 6.447 -0.784 1.00 0.00 ATOM 780 CA VAL 97 -1.479 5.260 -0.132 1.00 0.00 ATOM 781 CB VAL 97 -1.623 5.465 1.388 1.00 0.00 ATOM 782 CG1 VAL 97 -2.108 4.187 2.054 1.00 0.00 ATOM 783 CG2 VAL 97 -0.300 5.911 1.993 1.00 0.00 ATOM 784 O VAL 97 -3.762 5.751 -0.641 1.00 0.00 ATOM 785 C VAL 97 -2.838 4.940 -0.751 1.00 0.00 ATOM 786 N ILE 98 -2.961 3.775 -1.348 1.00 0.00 ATOM 787 CA ILE 98 -4.187 3.327 -2.005 1.00 0.00 ATOM 788 CB ILE 98 -3.928 2.921 -3.467 1.00 0.00 ATOM 789 CG1 ILE 98 -3.179 1.587 -3.527 1.00 0.00 ATOM 790 CG2 ILE 98 -3.146 4.007 -4.191 1.00 0.00 ATOM 791 CD1 ILE 98 -2.895 1.108 -4.933 1.00 0.00 ATOM 792 O ILE 98 -4.116 1.127 -1.039 1.00 0.00 ATOM 793 C ILE 98 -4.768 2.155 -1.228 1.00 0.00 ATOM 794 N GLU 99 -6.031 2.294 -0.844 1.00 0.00 ATOM 795 CA GLU 99 -6.737 1.234 -0.156 1.00 0.00 ATOM 796 CB GLU 99 -7.634 1.812 0.941 1.00 0.00 ATOM 797 CG GLU 99 -6.914 2.717 1.931 1.00 0.00 ATOM 798 CD GLU 99 -7.862 3.267 2.959 1.00 0.00 ATOM 799 OE1 GLU 99 -9.031 2.973 2.878 1.00 0.00 ATOM 800 OE2 GLU 99 -7.404 3.886 3.890 1.00 0.00 ATOM 801 O GLU 99 -8.058 1.209 -2.145 1.00 0.00 ATOM 802 C GLU 99 -7.487 0.543 -1.285 1.00 0.00 ATOM 803 N PHE 100 -7.409 -0.780 -1.337 1.00 0.00 ATOM 804 CA PHE 100 -8.067 -1.518 -2.398 1.00 0.00 ATOM 805 CB PHE 100 -7.123 -1.699 -3.588 1.00 0.00 ATOM 806 CG PHE 100 -5.908 -2.526 -3.277 1.00 0.00 ATOM 807 CD1 PHE 100 -5.964 -3.911 -3.320 1.00 0.00 ATOM 808 CD2 PHE 100 -4.706 -1.920 -2.940 1.00 0.00 ATOM 809 CE1 PHE 100 -4.846 -4.671 -3.034 1.00 0.00 ATOM 810 CE2 PHE 100 -3.587 -2.678 -2.655 1.00 0.00 ATOM 811 CZ PHE 100 -3.659 -4.056 -2.701 1.00 0.00 ATOM 812 O PHE 100 -8.210 -3.364 -0.852 1.00 0.00 ATOM 813 C PHE 100 -8.566 -2.881 -1.932 1.00 0.00 ATOM 814 N LYS 101 -9.436 -3.464 -2.745 1.00 0.00 ATOM 815 CA LYS 101 -9.987 -4.789 -2.508 1.00 0.00 ATOM 816 CB LYS 101 -11.467 -4.693 -2.128 1.00 0.00 ATOM 817 CG LYS 101 -11.723 -3.996 -0.802 1.00 0.00 ATOM 818 CD LYS 101 -13.205 -3.977 -0.466 1.00 0.00 ATOM 819 CE LYS 101 -13.464 -3.254 0.846 1.00 0.00 ATOM 820 NZ LYS 101 -14.914 -3.220 1.184 1.00 0.00 ATOM 821 O LYS 101 -10.059 -5.166 -4.887 1.00 0.00 ATOM 822 C LYS 101 -9.873 -5.658 -3.755 1.00 0.00 ATOM 823 N CYS 102 -9.664 -6.955 -3.553 1.00 0.00 ATOM 824 CA CYS 102 -9.656 -7.911 -4.641 1.00 0.00 ATOM 825 CB CYS 102 -9.083 -9.252 -4.177 1.00 0.00 ATOM 826 SG CYS 102 -8.944 -10.495 -5.481 1.00 0.00 ATOM 827 O CYS 102 -11.981 -8.345 -4.406 1.00 0.00 ATOM 828 C CYS 102 -11.063 -8.104 -5.190 1.00 0.00 ATOM 829 N LEU 103 -11.198 -8.046 -6.510 1.00 0.00 ATOM 830 CA LEU 103 -12.496 -8.220 -7.183 1.00 0.00 ATOM 831 CB LEU 103 -12.902 -6.923 -7.894 1.00 0.00 ATOM 832 CG LEU 103 -14.212 -6.996 -8.689 1.00 0.00 ATOM 833 CD1 LEU 103 -15.387 -7.193 -7.742 1.00 0.00 ATOM 834 CD2 LEU 103 -14.383 -5.723 -9.505 1.00 0.00 ATOM 835 O LEU 103 -11.419 -10.058 -8.360 1.00 0.00 ATOM 836 C LEU 103 -12.428 -9.385 -8.173 1.00 0.00 TER END