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 is try1-opt2.repack-nonPC, the same backbone as our model 2, but METHOD with the sidechains repacked by Rosetta. It has the lowest Rosetta METHOD energy of our repacked models. METHOD REMARK 6 REMARK 6 T0275 model 3 Fri Aug 13 12:40:56 2004 MODEL 3 PARENT 1tq8_A 1mjh_A 1mjh_B 1jmv_A 1q77_A REMARK 7 REMARK 7 ALLPARENTS 1tq8_A 1mjh_A 1mjh_B 1jmv_A 1q77_A 1np7_A 1qnf REMARK 7 ALLPARENTS 1owl_A 1fmt_A 1kor_A 1iqr_A 1gox 1o97_C ATOM 1 N MET 1 8.285 -19.967 -7.223 1.00 0.00 ATOM 2 CA MET 1 9.236 -18.813 -7.169 1.00 0.00 ATOM 3 CB MET 1 9.807 -18.534 -8.557 1.00 0.00 ATOM 4 CG MET 1 10.609 -19.684 -9.151 1.00 0.00 ATOM 5 SD MET 1 12.057 -20.106 -8.162 1.00 0.00 ATOM 6 CE MET 1 13.081 -18.661 -8.428 1.00 0.00 ATOM 7 O MET 1 7.502 -17.237 -7.155 1.00 0.00 ATOM 8 C MET 1 8.564 -17.571 -6.621 1.00 0.00 ATOM 9 N PHE 2 9.181 -16.881 -5.648 1.00 0.00 ATOM 10 CA PHE 2 8.640 -15.574 -5.185 1.00 0.00 ATOM 11 CB PHE 2 8.501 -15.563 -3.662 1.00 0.00 ATOM 12 CG PHE 2 7.506 -16.560 -3.137 1.00 0.00 ATOM 13 CD1 PHE 2 7.931 -17.754 -2.574 1.00 0.00 ATOM 14 CD2 PHE 2 6.145 -16.306 -3.206 1.00 0.00 ATOM 15 CE1 PHE 2 7.018 -18.672 -2.091 1.00 0.00 ATOM 16 CE2 PHE 2 5.230 -17.221 -2.723 1.00 0.00 ATOM 17 CZ PHE 2 5.667 -18.405 -2.165 1.00 0.00 ATOM 18 O PHE 2 9.564 -13.353 -4.963 1.00 0.00 ATOM 19 C PHE 2 9.502 -14.423 -5.626 1.00 0.00 ATOM 20 N LYS 3 10.229 -14.518 -6.863 1.00 0.00 ATOM 21 CA LYS 3 11.097 -13.413 -7.335 1.00 0.00 ATOM 22 CB LYS 3 11.545 -13.663 -8.777 1.00 0.00 ATOM 23 CG LYS 3 12.576 -14.772 -8.932 1.00 0.00 ATOM 24 CD LYS 3 13.072 -14.869 -10.367 1.00 0.00 ATOM 25 CE LYS 3 12.009 -15.460 -11.282 1.00 0.00 ATOM 26 NZ LYS 3 12.521 -15.676 -12.663 1.00 0.00 ATOM 27 O LYS 3 11.456 -11.046 -7.117 1.00 0.00 ATOM 28 C LYS 3 10.668 -11.973 -7.353 1.00 0.00 ATOM 29 N THR 4 9.354 -11.762 -7.615 1.00 0.00 ATOM 30 CA THR 4 8.850 -10.392 -7.745 1.00 0.00 ATOM 31 CB THR 4 8.522 -10.048 -9.210 1.00 0.00 ATOM 32 CG2 THR 4 8.012 -8.619 -9.321 1.00 0.00 ATOM 33 OG1 THR 4 9.699 -10.196 -10.014 1.00 0.00 ATOM 34 O THR 4 6.730 -11.082 -6.946 1.00 0.00 ATOM 35 C THR 4 7.597 -10.208 -6.877 1.00 0.00 ATOM 36 N ILE 5 7.689 -9.259 -5.974 1.00 0.00 ATOM 37 CA ILE 5 6.601 -9.004 -5.018 1.00 0.00 ATOM 38 CB ILE 5 7.111 -9.013 -3.565 1.00 0.00 ATOM 39 CG1 ILE 5 7.695 -10.383 -3.212 1.00 0.00 ATOM 40 CG2 ILE 5 5.990 -8.644 -2.605 1.00 0.00 ATOM 41 CD1 ILE 5 8.229 -10.475 -1.802 1.00 0.00 ATOM 42 O ILE 5 6.566 -6.627 -5.463 1.00 0.00 ATOM 43 C ILE 5 5.917 -7.673 -5.294 1.00 0.00 ATOM 44 N LEU 6 4.549 -7.682 -5.193 1.00 0.00 ATOM 45 CA LEU 6 3.869 -6.379 -5.260 1.00 0.00 ATOM 46 CB LEU 6 2.622 -6.477 -6.147 1.00 0.00 ATOM 47 CG LEU 6 1.803 -5.185 -6.267 1.00 0.00 ATOM 48 CD1 LEU 6 2.605 -4.126 -7.011 1.00 0.00 ATOM 49 CD2 LEU 6 0.495 -5.477 -6.989 1.00 0.00 ATOM 50 O LEU 6 2.929 -6.661 -3.074 1.00 0.00 ATOM 51 C LEU 6 3.508 -5.910 -3.859 1.00 0.00 ATOM 52 N LEU 7 3.891 -4.602 -3.566 1.00 0.00 ATOM 53 CA LEU 7 3.624 -4.009 -2.263 1.00 0.00 ATOM 54 CB LEU 7 4.940 -3.755 -1.517 1.00 0.00 ATOM 55 CG LEU 7 5.873 -4.967 -1.406 1.00 0.00 ATOM 56 CD1 LEU 7 7.271 -4.516 -1.005 1.00 0.00 ATOM 57 CD2 LEU 7 5.312 -5.950 -0.390 1.00 0.00 ATOM 58 O LEU 7 3.358 -1.614 -2.535 1.00 0.00 ATOM 59 C LEU 7 2.834 -2.704 -2.278 1.00 0.00 ATOM 60 N ALA 8 1.517 -2.797 -2.146 1.00 0.00 ATOM 61 CA ALA 8 0.662 -1.591 -2.106 1.00 0.00 ATOM 62 CB ALA 8 -0.748 -1.925 -2.572 1.00 0.00 ATOM 63 O ALA 8 0.344 -1.760 0.312 1.00 0.00 ATOM 64 C ALA 8 0.591 -1.051 -0.690 1.00 0.00 ATOM 65 N TYR 9 0.986 0.231 -0.551 1.00 0.00 ATOM 66 CA TYR 9 0.965 0.859 0.766 1.00 0.00 ATOM 67 CB TYR 9 2.382 1.231 1.205 1.00 0.00 ATOM 68 CG TYR 9 3.350 0.069 1.204 1.00 0.00 ATOM 69 CD1 TYR 9 4.302 -0.065 0.205 1.00 0.00 ATOM 70 CD2 TYR 9 3.311 -0.889 2.206 1.00 0.00 ATOM 71 CE1 TYR 9 5.188 -1.126 0.199 1.00 0.00 ATOM 72 CE2 TYR 9 4.192 -1.953 2.212 1.00 0.00 ATOM 73 CZ TYR 9 5.129 -2.067 1.206 1.00 0.00 ATOM 74 OH TYR 9 6.010 -3.124 1.208 1.00 0.00 ATOM 75 O TYR 9 0.080 2.898 -0.067 1.00 0.00 ATOM 76 C TYR 9 0.100 2.098 0.865 1.00 0.00 ATOM 77 N ASP 10 -0.575 2.254 1.982 1.00 0.00 ATOM 78 CA ASP 10 -1.328 3.448 2.334 1.00 0.00 ATOM 79 CB ASP 10 -2.727 3.072 2.826 1.00 0.00 ATOM 80 CG ASP 10 -3.551 2.375 1.762 1.00 0.00 ATOM 81 OD1 ASP 10 -3.632 2.902 0.632 1.00 0.00 ATOM 82 OD2 ASP 10 -4.116 1.301 2.056 1.00 0.00 ATOM 83 O ASP 10 -1.181 5.053 4.069 1.00 0.00 ATOM 84 C ASP 10 -0.574 4.191 3.453 1.00 0.00 ATOM 85 N GLY 11 0.649 3.785 3.718 1.00 0.00 ATOM 86 CA GLY 11 1.503 4.383 4.759 1.00 0.00 ATOM 87 O GLY 11 1.378 4.738 7.076 1.00 0.00 ATOM 88 C GLY 11 0.934 4.125 6.134 1.00 0.00 ATOM 89 N SER 12 -0.094 3.180 6.316 1.00 0.00 ATOM 90 CA SER 12 -0.680 2.835 7.603 1.00 0.00 ATOM 91 CB SER 12 -1.967 1.998 7.420 1.00 0.00 ATOM 92 OG SER 12 -1.700 0.780 6.745 1.00 0.00 ATOM 93 O SER 12 1.239 1.410 8.049 1.00 0.00 ATOM 94 C SER 12 0.245 1.986 8.465 1.00 0.00 ATOM 95 N GLU 13 -0.182 1.854 9.731 1.00 0.00 ATOM 96 CA GLU 13 0.645 1.047 10.646 1.00 0.00 ATOM 97 CB GLU 13 0.137 1.178 12.084 1.00 0.00 ATOM 98 CG GLU 13 0.969 0.429 13.115 1.00 0.00 ATOM 99 CD GLU 13 0.446 0.655 14.507 1.00 0.00 ATOM 100 OE1 GLU 13 -0.513 1.375 14.651 1.00 0.00 ATOM 101 OE2 GLU 13 0.933 0.021 15.413 1.00 0.00 ATOM 102 O GLU 13 1.668 -1.073 10.254 1.00 0.00 ATOM 103 C GLU 13 0.645 -0.409 10.211 1.00 0.00 ATOM 104 N HIS 14 -0.501 -0.896 9.761 1.00 0.00 ATOM 105 CA HIS 14 -0.587 -2.269 9.301 1.00 0.00 ATOM 106 CB HIS 14 -2.047 -2.670 9.066 1.00 0.00 ATOM 107 CG HIS 14 -2.900 -2.584 10.294 1.00 0.00 ATOM 108 CD2 HIS 14 -3.684 -1.587 10.767 1.00 0.00 ATOM 109 ND1 HIS 14 -3.008 -3.620 11.199 1.00 0.00 ATOM 110 CE1 HIS 14 -3.822 -3.262 12.176 1.00 0.00 ATOM 111 NE2 HIS 14 -4.246 -2.035 11.938 1.00 0.00 ATOM 112 O HIS 14 0.993 -3.456 7.841 1.00 0.00 ATOM 113 C HIS 14 0.202 -2.514 8.035 1.00 0.00 ATOM 114 N ALA 15 0.191 -1.543 7.111 1.00 0.00 ATOM 115 CA ALA 15 1.037 -1.634 5.909 1.00 0.00 ATOM 116 CB ALA 15 0.825 -0.418 5.019 1.00 0.00 ATOM 117 O ALA 15 3.289 -2.436 5.682 1.00 0.00 ATOM 118 C ALA 15 2.517 -1.685 6.280 1.00 0.00 ATOM 119 N ARG 16 2.916 -0.887 7.267 1.00 0.00 ATOM 120 CA ARG 16 4.305 -0.879 7.699 1.00 0.00 ATOM 121 CB ARG 16 4.582 0.214 8.720 1.00 0.00 ATOM 122 CG ARG 16 4.574 1.628 8.162 1.00 0.00 ATOM 123 CD ARG 16 5.118 2.655 9.087 1.00 0.00 ATOM 124 NE ARG 16 4.339 2.845 10.300 1.00 0.00 ATOM 125 CZ ARG 16 3.287 3.680 10.411 1.00 0.00 ATOM 126 NH1 ARG 16 2.908 4.430 9.401 1.00 0.00 ATOM 127 NH2 ARG 16 2.660 3.743 11.574 1.00 0.00 ATOM 128 O ARG 16 5.754 -2.773 7.960 1.00 0.00 ATOM 129 C ARG 16 4.660 -2.271 8.204 1.00 0.00 ATOM 130 N ARG 17 3.725 -2.919 8.922 1.00 0.00 ATOM 131 CA ARG 17 3.946 -4.290 9.362 1.00 0.00 ATOM 132 CB ARG 17 2.840 -4.782 10.284 1.00 0.00 ATOM 133 CG ARG 17 2.689 -3.998 11.578 1.00 0.00 ATOM 134 CD ARG 17 1.569 -4.451 12.441 1.00 0.00 ATOM 135 NE ARG 17 1.399 -3.680 13.663 1.00 0.00 ATOM 136 CZ ARG 17 0.412 -3.873 14.559 1.00 0.00 ATOM 137 NH1 ARG 17 -0.516 -4.782 14.359 1.00 0.00 ATOM 138 NH2 ARG 17 0.388 -3.107 15.636 1.00 0.00 ATOM 139 O ARG 17 5.044 -6.028 8.121 1.00 0.00 ATOM 140 C ARG 17 4.136 -5.197 8.152 1.00 0.00 ATOM 141 N ALA 18 3.283 -5.019 7.159 1.00 0.00 ATOM 142 CA ALA 18 3.351 -5.823 5.945 1.00 0.00 ATOM 143 CB ALA 18 2.211 -5.475 5.001 1.00 0.00 ATOM 144 O ALA 18 5.270 -6.604 4.732 1.00 0.00 ATOM 145 C ALA 18 4.692 -5.641 5.242 1.00 0.00 ATOM 146 N ALA 19 5.189 -4.394 5.215 1.00 0.00 ATOM 147 CA ALA 19 6.463 -4.088 4.577 1.00 0.00 ATOM 148 CB ALA 19 6.755 -2.596 4.622 1.00 0.00 ATOM 149 O ALA 19 8.516 -5.345 4.541 1.00 0.00 ATOM 150 C ALA 19 7.647 -4.795 5.220 1.00 0.00 ATOM 151 N GLU 20 7.684 -4.781 6.574 1.00 0.00 ATOM 152 CA GLU 20 8.733 -5.479 7.304 1.00 0.00 ATOM 153 CB GLU 20 8.484 -5.393 8.812 1.00 0.00 ATOM 154 CG GLU 20 8.724 -4.014 9.411 1.00 0.00 ATOM 155 CD GLU 20 8.371 -3.984 10.872 1.00 0.00 ATOM 156 OE1 GLU 20 7.885 -4.973 11.366 1.00 0.00 ATOM 157 OE2 GLU 20 8.689 -3.015 11.520 1.00 0.00 ATOM 158 O GLU 20 9.855 -7.473 6.536 1.00 0.00 ATOM 159 C GLU 20 8.785 -6.935 6.831 1.00 0.00 ATOM 160 N VAL 21 7.620 -7.542 6.750 1.00 0.00 ATOM 161 CA VAL 21 7.513 -8.930 6.321 1.00 0.00 ATOM 162 CB VAL 21 6.079 -9.464 6.486 1.00 0.00 ATOM 163 CG1 VAL 21 5.947 -10.843 5.855 1.00 0.00 ATOM 164 CG2 VAL 21 5.694 -9.515 7.957 1.00 0.00 ATOM 165 O VAL 21 8.678 -9.933 4.473 1.00 0.00 ATOM 166 C VAL 21 7.957 -9.016 4.859 1.00 0.00 ATOM 167 N ALA 22 7.521 -8.046 4.058 1.00 0.00 ATOM 168 CA ALA 22 7.882 -7.994 2.646 1.00 0.00 ATOM 169 CB ALA 22 7.258 -6.775 1.984 1.00 0.00 ATOM 170 O ALA 22 9.992 -8.579 1.654 1.00 0.00 ATOM 171 C ALA 22 9.401 -7.913 2.506 1.00 0.00 ATOM 172 N LYS 23 10.024 -7.091 3.344 1.00 0.00 ATOM 173 CA LYS 23 11.474 -6.928 3.323 1.00 0.00 ATOM 174 CB LYS 23 11.905 -5.836 4.303 1.00 0.00 ATOM 175 CG LYS 23 13.413 -5.706 4.475 1.00 0.00 ATOM 176 CD LYS 23 13.766 -4.553 5.404 1.00 0.00 ATOM 177 CE LYS 23 15.270 -4.447 5.609 1.00 0.00 ATOM 178 NZ LYS 23 15.629 -3.341 6.538 1.00 0.00 ATOM 179 O LYS 23 13.135 -8.611 2.956 1.00 0.00 ATOM 180 C LYS 23 12.198 -8.224 3.650 1.00 0.00 ATOM 181 N ALA 24 11.746 -8.871 4.713 1.00 0.00 ATOM 182 CA ALA 24 12.345 -10.123 5.150 1.00 0.00 ATOM 183 CB ALA 24 11.635 -10.645 6.389 1.00 0.00 ATOM 184 O ALA 24 13.210 -11.863 3.749 1.00 0.00 ATOM 185 C ALA 24 12.249 -11.148 4.027 1.00 0.00 ATOM 186 N GLU 25 11.120 -11.210 3.342 1.00 0.00 ATOM 187 CA GLU 25 10.973 -12.160 2.241 1.00 0.00 ATOM 188 CB GLU 25 9.517 -12.214 1.772 1.00 0.00 ATOM 189 CG GLU 25 8.564 -12.878 2.754 1.00 0.00 ATOM 190 CD GLU 25 8.981 -14.291 3.051 1.00 0.00 ATOM 191 OE1 GLU 25 9.177 -15.040 2.123 1.00 0.00 ATOM 192 OE2 GLU 25 9.215 -14.593 4.198 1.00 0.00 ATOM 193 O GLU 25 12.464 -12.688 0.432 1.00 0.00 ATOM 194 C GLU 25 11.883 -11.804 1.072 1.00 0.00 ATOM 195 N ALA 26 11.996 -10.502 0.768 1.00 0.00 ATOM 196 CA ALA 26 12.853 -10.046 -0.321 1.00 0.00 ATOM 197 CB ALA 26 12.752 -8.536 -0.472 1.00 0.00 ATOM 198 O ALA 26 15.021 -10.940 -0.867 1.00 0.00 ATOM 199 C ALA 26 14.291 -10.451 -0.003 1.00 0.00 ATOM 200 N GLU 27 14.693 -10.237 1.246 1.00 0.00 ATOM 201 CA GLU 27 16.033 -10.610 1.694 1.00 0.00 ATOM 202 CB GLU 27 16.287 -10.095 3.113 1.00 0.00 ATOM 203 CG GLU 27 16.437 -8.583 3.215 1.00 0.00 ATOM 204 CD GLU 27 16.553 -8.142 4.648 1.00 0.00 ATOM 205 OE1 GLU 27 16.446 -8.974 5.516 1.00 0.00 ATOM 206 OE2 GLU 27 16.861 -6.995 4.872 1.00 0.00 ATOM 207 O GLU 27 17.281 -12.615 1.211 1.00 0.00 ATOM 208 C GLU 27 16.235 -12.125 1.644 1.00 0.00 ATOM 209 N ALA 28 15.216 -12.876 2.112 1.00 0.00 ATOM 210 CA ALA 28 15.330 -14.334 2.114 1.00 0.00 ATOM 211 CB ALA 28 14.068 -14.900 2.749 1.00 0.00 ATOM 212 O ALA 28 16.146 -15.909 0.491 1.00 0.00 ATOM 213 C ALA 28 15.433 -14.930 0.708 1.00 0.00 ATOM 214 N HIS 29 14.700 -14.347 -0.231 1.00 0.00 ATOM 215 CA HIS 29 14.702 -14.813 -1.612 1.00 0.00 ATOM 216 CB HIS 29 13.292 -14.747 -2.207 1.00 0.00 ATOM 217 CG HIS 29 12.312 -15.658 -1.536 1.00 0.00 ATOM 218 CD2 HIS 29 11.239 -15.393 -0.754 1.00 0.00 ATOM 219 ND1 HIS 29 12.382 -17.031 -1.638 1.00 0.00 ATOM 220 CE1 HIS 29 11.394 -17.571 -0.947 1.00 0.00 ATOM 221 NE2 HIS 29 10.686 -16.599 -0.401 1.00 0.00 ATOM 222 O HIS 29 15.698 -14.347 -3.744 1.00 0.00 ATOM 223 C HIS 29 15.648 -14.052 -2.552 1.00 0.00 ATOM 224 N GLY 30 16.381 -13.081 -2.025 1.00 0.00 ATOM 225 CA GLY 30 17.297 -12.313 -2.852 1.00 0.00 ATOM 226 O GLY 30 17.156 -11.544 -5.112 1.00 0.00 ATOM 227 C GLY 30 16.648 -11.529 -3.981 1.00 0.00 ATOM 228 N ALA 31 16.048 -10.469 -5.917 1.00 0.00 ATOM 229 CA ALA 31 14.602 -10.336 -5.830 1.00 0.00 ATOM 230 CB ALA 31 14.115 -10.738 -4.446 1.00 0.00 ATOM 231 O ALA 31 15.060 -7.949 -5.835 1.00 0.00 ATOM 232 C ALA 31 14.272 -8.872 -6.102 1.00 0.00 ATOM 233 N ARG 32 13.030 -8.676 -6.563 1.00 0.00 ATOM 234 CA ARG 32 12.551 -7.364 -6.924 1.00 0.00 ATOM 235 CB ARG 32 12.548 -7.148 -8.430 1.00 0.00 ATOM 236 CG ARG 32 12.321 -5.711 -8.869 1.00 0.00 ATOM 237 CD ARG 32 12.459 -5.489 -10.331 1.00 0.00 ATOM 238 NE ARG 32 11.438 -6.139 -11.138 1.00 0.00 ATOM 239 CZ ARG 32 11.433 -6.171 -12.485 1.00 0.00 ATOM 240 NH1 ARG 32 12.369 -5.562 -13.181 1.00 0.00 ATOM 241 NH2 ARG 32 10.449 -6.812 -13.091 1.00 0.00 ATOM 242 O ARG 32 10.424 -8.069 -6.078 1.00 0.00 ATOM 243 C ARG 32 11.179 -7.121 -6.307 1.00 0.00 ATOM 244 N LEU 33 11.027 -5.774 -5.965 1.00 0.00 ATOM 245 CA LEU 33 9.779 -5.375 -5.317 1.00 0.00 ATOM 246 CB LEU 33 10.046 -4.962 -3.864 1.00 0.00 ATOM 247 CG LEU 33 10.824 -5.984 -3.026 1.00 0.00 ATOM 248 CD1 LEU 33 10.960 -5.490 -1.593 1.00 0.00 ATOM 249 CD2 LEU 33 10.108 -7.326 -3.068 1.00 0.00 ATOM 250 O LEU 33 9.863 -3.199 -6.505 1.00 0.00 ATOM 251 C LEU 33 9.243 -4.245 -6.195 1.00 0.00 ATOM 252 N ILE 34 7.990 -4.448 -6.634 1.00 0.00 ATOM 253 CA ILE 34 7.242 -3.328 -7.203 1.00 0.00 ATOM 254 CB ILE 34 6.269 -3.798 -8.299 1.00 0.00 ATOM 255 CG1 ILE 34 6.987 -4.712 -9.296 1.00 0.00 ATOM 256 CG2 ILE 34 5.656 -2.603 -9.014 1.00 0.00 ATOM 257 CD1 ILE 34 8.163 -4.058 -9.986 1.00 0.00 ATOM 258 O ILE 34 5.630 -3.272 -5.389 1.00 0.00 ATOM 259 C ILE 34 6.519 -2.679 -6.049 1.00 0.00 ATOM 260 N VAL 35 6.897 -1.455 -5.678 1.00 0.00 ATOM 261 CA VAL 35 6.337 -0.765 -4.541 1.00 0.00 ATOM 262 CB VAL 35 7.420 -0.003 -3.754 1.00 0.00 ATOM 263 CG1 VAL 35 6.802 0.741 -2.580 1.00 0.00 ATOM 264 CG2 VAL 35 8.465 -0.968 -3.215 1.00 0.00 ATOM 265 O VAL 35 5.716 1.070 -5.869 1.00 0.00 ATOM 266 C VAL 35 5.308 0.216 -5.075 1.00 0.00 ATOM 267 N VAL 36 4.028 -0.001 -4.747 1.00 0.00 ATOM 268 CA VAL 36 2.981 0.797 -5.395 1.00 0.00 ATOM 269 CB VAL 36 2.110 -0.064 -6.330 1.00 0.00 ATOM 270 CG1 VAL 36 1.294 -1.063 -5.525 1.00 0.00 ATOM 271 CG2 VAL 36 1.198 0.817 -7.169 1.00 0.00 ATOM 272 O VAL 36 1.523 0.970 -3.420 1.00 0.00 ATOM 273 C VAL 36 2.062 1.492 -4.420 1.00 0.00 ATOM 274 N HIS 37 1.792 2.827 -4.786 1.00 0.00 ATOM 275 CA HIS 37 0.878 3.630 -4.051 1.00 0.00 ATOM 276 CB HIS 37 1.611 4.773 -3.342 1.00 0.00 ATOM 277 CG HIS 37 0.729 5.591 -2.449 1.00 0.00 ATOM 278 CD2 HIS 37 0.751 5.786 -1.110 1.00 0.00 ATOM 279 ND1 HIS 37 -0.332 6.331 -2.927 1.00 0.00 ATOM 280 CE1 HIS 37 -0.925 6.946 -1.919 1.00 0.00 ATOM 281 NE2 HIS 37 -0.288 6.631 -0.806 1.00 0.00 ATOM 282 O HIS 37 0.159 4.659 -6.062 1.00 0.00 ATOM 283 C HIS 37 -0.219 4.194 -4.972 1.00 0.00 ATOM 284 N ALA 38 -1.472 3.938 -4.696 1.00 0.00 ATOM 285 CA ALA 38 -2.559 4.491 -5.509 1.00 0.00 ATOM 286 CB ALA 38 -3.622 3.434 -5.763 1.00 0.00 ATOM 287 O ALA 38 -3.688 5.578 -3.645 1.00 0.00 ATOM 288 C ALA 38 -3.181 5.662 -4.766 1.00 0.00 ATOM 289 N TYR 39 -3.259 6.831 -5.452 1.00 0.00 ATOM 290 CA TYR 39 -4.029 7.951 -4.900 1.00 0.00 ATOM 291 CB TYR 39 -3.465 9.283 -5.398 1.00 0.00 ATOM 292 CG TYR 39 -4.325 10.480 -5.056 1.00 0.00 ATOM 293 CD1 TYR 39 -4.579 10.820 -3.734 1.00 0.00 ATOM 294 CD2 TYR 39 -4.879 11.267 -6.054 1.00 0.00 ATOM 295 CE1 TYR 39 -5.364 11.910 -3.416 1.00 0.00 ATOM 296 CE2 TYR 39 -5.665 12.361 -5.747 1.00 0.00 ATOM 297 CZ TYR 39 -5.905 12.679 -4.426 1.00 0.00 ATOM 298 OH TYR 39 -6.687 13.768 -4.115 1.00 0.00 ATOM 299 O TYR 39 -5.826 7.720 -6.481 1.00 0.00 ATOM 300 C TYR 39 -5.491 7.761 -5.311 1.00 0.00 ATOM 301 N GLU 40 -6.486 7.754 -4.337 1.00 0.00 ATOM 302 CA GLU 40 -7.855 7.354 -4.719 1.00 0.00 ATOM 303 CB GLU 40 -8.601 6.778 -3.513 1.00 0.00 ATOM 304 CG GLU 40 -10.003 6.273 -3.823 1.00 0.00 ATOM 305 CD GLU 40 -10.669 5.720 -2.594 1.00 0.00 ATOM 306 OE1 GLU 40 -10.059 5.739 -1.552 1.00 0.00 ATOM 307 OE2 GLU 40 -11.827 5.382 -2.672 1.00 0.00 ATOM 308 O GLU 40 -8.861 9.543 -4.627 1.00 0.00 ATOM 309 C GLU 40 -8.628 8.524 -5.299 1.00 0.00 ATOM 310 N PRO 41 -8.982 8.377 -6.574 1.00 0.00 ATOM 311 CA PRO 41 -9.633 9.481 -7.270 1.00 0.00 ATOM 312 CB PRO 41 -9.689 9.008 -8.699 1.00 0.00 ATOM 313 CG PRO 41 -9.721 7.486 -8.581 1.00 0.00 ATOM 314 CD PRO 41 -8.874 7.153 -7.394 1.00 0.00 ATOM 315 O PRO 41 -11.731 8.759 -6.378 1.00 0.00 ATOM 316 C PRO 41 -11.023 9.716 -6.726 1.00 0.00 ATOM 317 N VAL 42 -11.390 10.983 -6.646 1.00 0.00 ATOM 318 CA VAL 42 -12.721 11.397 -6.245 1.00 0.00 ATOM 319 CB VAL 42 -12.682 12.697 -5.421 1.00 0.00 ATOM 320 CG1 VAL 42 -14.092 13.142 -5.061 1.00 0.00 ATOM 321 CG2 VAL 42 -11.902 12.487 -4.131 1.00 0.00 ATOM 322 O VAL 42 -13.142 12.375 -8.388 1.00 0.00 ATOM 323 C VAL 42 -13.550 11.632 -7.503 1.00 0.00 ATOM 324 N PRO 43 -14.735 11.030 -7.640 1.00 0.00 ATOM 325 CA PRO 43 -15.557 11.314 -8.826 1.00 0.00 ATOM 326 CB PRO 43 -16.873 10.586 -8.550 1.00 0.00 ATOM 327 CG PRO 43 -16.494 9.464 -7.639 1.00 0.00 ATOM 328 CD PRO 43 -15.436 10.012 -6.723 1.00 0.00 ATOM 329 O PRO 43 -16.048 13.560 -8.128 1.00 0.00 ATOM 330 C PRO 43 -15.818 12.788 -9.063 1.00 0.00 ATOM 331 N ASP 44 -15.743 13.262 -10.307 1.00 0.00 ATOM 332 CA ASP 44 -15.954 14.691 -10.571 1.00 0.00 ATOM 333 CB ASP 44 -15.667 15.014 -12.037 1.00 0.00 ATOM 334 CG ASP 44 -14.186 14.985 -12.362 1.00 0.00 ATOM 335 OD1 ASP 44 -13.371 14.960 -11.415 1.00 0.00 ATOM 336 OD2 ASP 44 -13.840 14.986 -13.561 1.00 0.00 ATOM 337 O ASP 44 -17.644 16.192 -9.730 1.00 0.00 ATOM 338 C ASP 44 -17.390 15.108 -10.263 1.00 0.00 ATOM 339 N TYR 45 -18.323 14.232 -10.613 1.00 0.00 ATOM 340 CA TYR 45 -19.739 14.497 -10.322 1.00 0.00 ATOM 341 CB TYR 45 -20.619 13.376 -10.880 1.00 0.00 ATOM 342 CG TYR 45 -20.758 13.398 -12.386 1.00 0.00 ATOM 343 CD1 TYR 45 -20.099 12.466 -13.175 1.00 0.00 ATOM 344 CD2 TYR 45 -21.547 14.349 -13.013 1.00 0.00 ATOM 345 CE1 TYR 45 -20.223 12.481 -14.551 1.00 0.00 ATOM 346 CE2 TYR 45 -21.679 14.374 -14.389 1.00 0.00 ATOM 347 CZ TYR 45 -21.014 13.438 -15.154 1.00 0.00 ATOM 348 OH TYR 45 -21.142 13.458 -16.524 1.00 0.00 ATOM 349 O TYR 45 -20.861 15.486 -8.462 1.00 0.00 ATOM 350 C TYR 45 -20.022 14.658 -8.828 1.00 0.00 ATOM 351 N LEU 46 -19.107 13.923 -7.948 1.00 0.00 ATOM 352 CA LEU 46 -19.279 14.087 -6.500 1.00 0.00 ATOM 353 CB LEU 46 -18.566 12.954 -5.751 1.00 0.00 ATOM 354 CG LEU 46 -18.830 12.904 -4.240 1.00 0.00 ATOM 355 CD1 LEU 46 -20.317 12.712 -3.976 1.00 0.00 ATOM 356 CD2 LEU 46 -18.021 11.775 -3.620 1.00 0.00 ATOM 357 O LEU 46 -19.203 15.940 -4.982 1.00 0.00 ATOM 358 C LEU 46 -18.772 15.419 -6.020 1.00 0.00 ATOM 359 N GLY 47 -17.856 16.012 -6.804 1.00 0.00 ATOM 360 CA GLY 47 -17.331 17.333 -6.513 1.00 0.00 ATOM 361 O GLY 47 -15.531 16.790 -7.985 1.00 0.00 ATOM 362 C GLY 47 -16.068 17.647 -7.283 1.00 0.00 ATOM 363 N GLU 48 -15.576 18.867 -7.126 1.00 0.00 ATOM 364 CA GLU 48 -14.364 19.291 -7.831 1.00 0.00 ATOM 365 CB GLU 48 -14.120 20.787 -7.625 1.00 0.00 ATOM 366 CG GLU 48 -15.142 21.690 -8.301 1.00 0.00 ATOM 367 CD GLU 48 -16.351 21.894 -7.431 1.00 0.00 ATOM 368 OE1 GLU 48 -16.409 21.305 -6.379 1.00 0.00 ATOM 369 OE2 GLU 48 -17.164 22.725 -7.764 1.00 0.00 ATOM 370 O GLU 48 -12.209 18.297 -8.207 1.00 0.00 ATOM 371 C GLU 48 -13.128 18.507 -7.386 1.00 0.00 ATOM 372 N PRO 49 -11.321 21.774 -8.040 1.00 0.00 ATOM 373 CA PRO 49 -10.055 22.393 -7.676 1.00 0.00 ATOM 374 CB PRO 49 -10.303 23.899 -7.832 1.00 0.00 ATOM 375 CG PRO 49 -11.458 23.986 -8.798 1.00 0.00 ATOM 376 CD PRO 49 -12.318 22.765 -8.538 1.00 0.00 ATOM 377 O PRO 49 -8.450 21.844 -5.962 1.00 0.00 ATOM 378 C PRO 49 -9.633 21.880 -6.299 1.00 0.00 ATOM 379 N PHE 50 -10.612 21.408 -5.529 1.00 0.00 ATOM 380 CA PHE 50 -10.397 20.791 -4.236 1.00 0.00 ATOM 381 CB PHE 50 -11.726 20.625 -3.496 1.00 0.00 ATOM 382 CG PHE 50 -11.592 19.979 -2.147 1.00 0.00 ATOM 383 CD1 PHE 50 -11.147 20.709 -1.055 1.00 0.00 ATOM 384 CD2 PHE 50 -11.909 18.641 -1.966 1.00 0.00 ATOM 385 CE1 PHE 50 -11.023 20.116 0.189 1.00 0.00 ATOM 386 CE2 PHE 50 -11.788 18.046 -0.726 1.00 0.00 ATOM 387 CZ PHE 50 -11.343 18.785 0.352 1.00 0.00 ATOM 388 O PHE 50 -8.721 19.117 -3.810 1.00 0.00 ATOM 389 C PHE 50 -9.702 19.455 -4.478 1.00 0.00 ATOM 390 N PHE 51 -10.218 18.692 -5.446 1.00 0.00 ATOM 391 CA PHE 51 -9.665 17.388 -5.784 1.00 0.00 ATOM 392 CB PHE 51 -10.486 16.730 -6.895 1.00 0.00 ATOM 393 CG PHE 51 -10.052 15.330 -7.220 1.00 0.00 ATOM 394 CD1 PHE 51 -9.345 14.575 -6.297 1.00 0.00 ATOM 395 CD2 PHE 51 -10.348 14.764 -8.452 1.00 0.00 ATOM 396 CE1 PHE 51 -8.945 13.286 -6.596 1.00 0.00 ATOM 397 CE2 PHE 51 -9.951 13.476 -8.753 1.00 0.00 ATOM 398 CZ PHE 51 -9.248 12.736 -7.823 1.00 0.00 ATOM 399 O PHE 51 -7.340 16.734 -5.766 1.00 0.00 ATOM 400 C PHE 51 -8.194 17.499 -6.213 1.00 0.00 ATOM 401 N GLU 52 -7.929 18.416 -7.097 1.00 0.00 ATOM 402 CA GLU 52 -6.573 18.622 -7.604 1.00 0.00 ATOM 403 CB GLU 52 -6.568 19.730 -8.658 1.00 0.00 ATOM 404 CG GLU 52 -7.243 19.348 -9.964 1.00 0.00 ATOM 405 CD GLU 52 -7.330 20.508 -10.938 1.00 0.00 ATOM 406 OE1 GLU 52 -6.927 21.629 -10.563 1.00 0.00 ATOM 407 OE2 GLU 52 -7.799 20.295 -12.076 1.00 0.00 ATOM 408 O GLU 52 -4.504 18.532 -6.409 1.00 0.00 ATOM 409 C GLU 52 -5.631 19.021 -6.477 1.00 0.00 ATOM 410 N GLU 53 -6.078 19.898 -5.594 1.00 0.00 ATOM 411 CA GLU 53 -5.317 20.304 -4.428 1.00 0.00 ATOM 412 CB GLU 53 -6.093 21.343 -3.616 1.00 0.00 ATOM 413 CG GLU 53 -5.355 21.865 -2.392 1.00 0.00 ATOM 414 CD GLU 53 -6.162 22.908 -1.669 1.00 0.00 ATOM 415 OE1 GLU 53 -7.240 23.214 -2.120 1.00 0.00 ATOM 416 OE2 GLU 53 -5.755 23.315 -0.608 1.00 0.00 ATOM 417 O GLU 53 -3.848 18.880 -3.175 1.00 0.00 ATOM 418 C GLU 53 -5.000 19.070 -3.589 1.00 0.00 ATOM 419 N ALA 54 -6.032 18.241 -3.322 1.00 0.00 ATOM 420 CA ALA 54 -5.839 17.016 -2.548 1.00 0.00 ATOM 421 CB ALA 54 -7.177 16.312 -2.374 1.00 0.00 ATOM 422 O ALA 54 -4.097 15.405 -2.663 1.00 0.00 ATOM 423 C ALA 54 -4.920 16.062 -3.286 1.00 0.00 ATOM 424 N LEU 55 -5.064 15.995 -4.602 1.00 0.00 ATOM 425 CA LEU 55 -4.227 15.128 -5.443 1.00 0.00 ATOM 426 CB LEU 55 -4.698 15.190 -6.902 1.00 0.00 ATOM 427 CG LEU 55 -4.159 14.076 -7.809 1.00 0.00 ATOM 428 CD1 LEU 55 -4.895 14.087 -9.143 1.00 0.00 ATOM 429 CD2 LEU 55 -2.664 14.270 -8.017 1.00 0.00 ATOM 430 O LEU 55 -1.896 14.622 -5.312 1.00 0.00 ATOM 431 C LEU 55 -2.751 15.508 -5.354 1.00 0.00 ATOM 432 N ARG 56 -2.470 16.808 -5.430 1.00 0.00 ATOM 433 CA ARG 56 -1.112 17.305 -5.357 1.00 0.00 ATOM 434 CB ARG 56 -1.029 18.795 -5.655 1.00 0.00 ATOM 435 CG ARG 56 -1.262 19.170 -7.109 1.00 0.00 ATOM 436 CD ARG 56 -0.907 20.574 -7.444 1.00 0.00 ATOM 437 NE ARG 56 -1.720 21.576 -6.775 1.00 0.00 ATOM 438 CZ ARG 56 -2.897 22.039 -7.238 1.00 0.00 ATOM 439 NH1 ARG 56 -3.385 21.624 -8.386 1.00 0.00 ATOM 440 NH2 ARG 56 -3.539 22.944 -6.518 1.00 0.00 ATOM 441 O ARG 56 0.680 16.566 -3.947 1.00 0.00 ATOM 442 C ARG 56 -0.483 16.963 -4.014 1.00 0.00 ATOM 443 N ARG 57 -1.257 17.108 -2.946 1.00 0.00 ATOM 444 CA ARG 57 -0.778 16.805 -1.606 1.00 0.00 ATOM 445 CB ARG 57 -1.725 17.314 -0.528 1.00 0.00 ATOM 446 CG ARG 57 -1.758 18.825 -0.369 1.00 0.00 ATOM 447 CD ARG 57 -2.727 19.314 0.646 1.00 0.00 ATOM 448 NE ARG 57 -2.779 20.761 0.782 1.00 0.00 ATOM 449 CZ ARG 57 -3.618 21.421 1.603 1.00 0.00 ATOM 450 NH1 ARG 57 -4.502 20.775 2.332 1.00 0.00 ATOM 451 NH2 ARG 57 -3.548 22.740 1.638 1.00 0.00 ATOM 452 O ARG 57 0.523 14.910 -0.972 1.00 0.00 ATOM 453 C ARG 57 -0.514 15.301 -1.494 1.00 0.00 ATOM 454 N ARG 58 -1.443 14.452 -1.968 1.00 0.00 ATOM 455 CA ARG 58 -1.275 13.004 -1.879 1.00 0.00 ATOM 456 CB ARG 58 -2.543 12.254 -2.259 1.00 0.00 ATOM 457 CG ARG 58 -3.502 11.995 -1.107 1.00 0.00 ATOM 458 CD ARG 58 -4.282 13.185 -0.680 1.00 0.00 ATOM 459 NE ARG 58 -3.672 13.950 0.396 1.00 0.00 ATOM 460 CZ ARG 58 -4.052 15.188 0.765 1.00 0.00 ATOM 461 NH1 ARG 58 -5.011 15.821 0.126 1.00 0.00 ATOM 462 NH2 ARG 58 -3.417 15.763 1.771 1.00 0.00 ATOM 463 O ARG 58 0.732 11.769 -2.248 1.00 0.00 ATOM 464 C ARG 58 -0.086 12.567 -2.707 1.00 0.00 ATOM 465 N LEU 59 0.091 13.114 -3.927 1.00 0.00 ATOM 466 CA LEU 59 1.230 12.722 -4.751 1.00 0.00 ATOM 467 CB LEU 59 1.124 13.364 -6.140 1.00 0.00 ATOM 468 CG LEU 59 2.025 12.743 -7.216 1.00 0.00 ATOM 469 CD1 LEU 59 1.657 13.295 -8.586 1.00 0.00 ATOM 470 CD2 LEU 59 3.482 13.037 -6.891 1.00 0.00 ATOM 471 O LEU 59 3.489 12.364 -4.025 1.00 0.00 ATOM 472 C LEU 59 2.524 13.118 -4.064 1.00 0.00 ATOM 473 N GLU 60 2.585 14.287 -3.511 1.00 0.00 ATOM 474 CA GLU 60 3.742 14.754 -2.801 1.00 0.00 ATOM 475 CB GLU 60 3.531 16.192 -2.321 1.00 0.00 ATOM 476 CG GLU 60 4.727 16.796 -1.598 1.00 0.00 ATOM 477 CD GLU 60 4.460 18.218 -1.194 1.00 0.00 ATOM 478 OE1 GLU 60 3.395 18.708 -1.482 1.00 0.00 ATOM 479 OE2 GLU 60 5.274 18.781 -0.500 1.00 0.00 ATOM 480 O GLU 60 5.206 13.445 -1.425 1.00 0.00 ATOM 481 C GLU 60 4.058 13.844 -1.620 1.00 0.00 ATOM 482 N ARG 61 3.027 13.502 -0.837 1.00 0.00 ATOM 483 CA ARG 61 3.222 12.647 0.326 1.00 0.00 ATOM 484 CB ARG 61 2.036 12.694 1.279 1.00 0.00 ATOM 485 CG ARG 61 1.881 14.000 2.043 1.00 0.00 ATOM 486 CD ARG 61 0.679 14.061 2.913 1.00 0.00 ATOM 487 NE ARG 61 0.525 15.310 3.641 1.00 0.00 ATOM 488 CZ ARG 61 -0.535 15.619 4.414 1.00 0.00 ATOM 489 NH1 ARG 61 -1.551 14.794 4.531 1.00 0.00 ATOM 490 NH2 ARG 61 -0.536 16.787 5.033 1.00 0.00 ATOM 491 O ARG 61 4.299 10.527 0.651 1.00 0.00 ATOM 492 C ARG 61 3.551 11.204 -0.051 1.00 0.00 ATOM 493 N ALA 62 2.947 10.686 -1.077 1.00 0.00 ATOM 494 CA ALA 62 3.156 9.314 -1.525 1.00 0.00 ATOM 495 CB ALA 62 2.341 8.946 -2.694 1.00 0.00 ATOM 496 O ALA 62 5.189 8.071 -1.486 1.00 0.00 ATOM 497 C ALA 62 4.638 9.118 -1.885 1.00 0.00 ATOM 498 N GLU 63 5.228 10.045 -2.611 1.00 0.00 ATOM 499 CA GLU 63 6.640 9.933 -2.994 1.00 0.00 ATOM 500 CB GLU 63 7.031 11.074 -3.937 1.00 0.00 ATOM 501 CG GLU 63 6.422 10.976 -5.328 1.00 0.00 ATOM 502 CD GLU 63 6.749 12.189 -6.153 1.00 0.00 ATOM 503 OE1 GLU 63 7.360 13.092 -5.633 1.00 0.00 ATOM 504 OE2 GLU 63 6.490 12.167 -7.333 1.00 0.00 ATOM 505 O GLU 63 8.533 9.194 -1.678 1.00 0.00 ATOM 506 C GLU 63 7.537 9.934 -1.766 1.00 0.00 ATOM 507 N GLY 64 7.155 10.796 -0.818 1.00 0.00 ATOM 508 CA GLY 64 7.985 10.868 0.426 1.00 0.00 ATOM 509 O GLY 64 8.962 9.063 1.640 1.00 0.00 ATOM 510 C GLY 64 7.924 9.573 1.239 1.00 0.00 ATOM 511 N VAL 65 6.722 9.005 1.367 1.00 0.00 ATOM 512 CA VAL 65 6.602 7.720 2.065 1.00 0.00 ATOM 513 CB VAL 65 5.128 7.337 2.294 1.00 0.00 ATOM 514 CG1 VAL 65 5.024 5.923 2.844 1.00 0.00 ATOM 515 CG2 VAL 65 4.478 8.288 3.287 1.00 0.00 ATOM 516 O VAL 65 7.942 5.697 1.862 1.00 0.00 ATOM 517 C VAL 65 7.277 6.574 1.284 1.00 0.00 ATOM 518 N LEU 66 7.096 6.561 -0.045 1.00 0.00 ATOM 519 CA LEU 66 7.673 5.478 -0.848 1.00 0.00 ATOM 520 CB LEU 66 7.182 5.601 -2.292 1.00 0.00 ATOM 521 CG LEU 66 5.687 5.369 -2.523 1.00 0.00 ATOM 522 CD1 LEU 66 5.312 5.673 -3.964 1.00 0.00 ATOM 523 CD2 LEU 66 5.317 3.922 -2.229 1.00 0.00 ATOM 524 O LEU 66 9.919 4.518 -0.757 1.00 0.00 ATOM 525 C LEU 66 9.192 5.493 -0.868 1.00 0.00 ATOM 526 N GLU 67 9.802 6.693 -0.840 1.00 0.00 ATOM 527 CA GLU 67 11.258 6.798 -0.795 1.00 0.00 ATOM 528 CB GLU 67 11.693 8.262 -0.884 1.00 0.00 ATOM 529 CG GLU 67 13.202 8.470 -0.900 1.00 0.00 ATOM 530 CD GLU 67 13.551 9.926 -1.034 1.00 0.00 ATOM 531 OE1 GLU 67 12.652 10.727 -1.124 1.00 0.00 ATOM 532 OE2 GLU 67 14.711 10.250 -0.935 1.00 0.00 ATOM 533 O GLU 67 12.748 5.371 0.454 1.00 0.00 ATOM 534 C GLU 67 11.790 6.148 0.494 1.00 0.00 ATOM 535 N GLU 68 11.147 6.445 1.620 1.00 0.00 ATOM 536 CA GLU 68 11.566 5.888 2.910 1.00 0.00 ATOM 537 CB GLU 68 10.757 6.512 4.051 1.00 0.00 ATOM 538 CG GLU 68 11.086 7.972 4.328 1.00 0.00 ATOM 539 CD GLU 68 10.168 8.550 5.369 1.00 0.00 ATOM 540 OE1 GLU 68 9.273 7.858 5.794 1.00 0.00 ATOM 541 OE2 GLU 68 10.427 9.639 5.823 1.00 0.00 ATOM 542 O GLU 68 12.290 3.661 3.424 1.00 0.00 ATOM 543 C GLU 68 11.414 4.370 2.927 1.00 0.00 ATOM 544 N ALA 69 10.307 3.869 2.389 1.00 0.00 ATOM 545 CA ALA 69 10.061 2.428 2.356 1.00 0.00 ATOM 546 CB ALA 69 8.682 2.118 1.791 1.00 0.00 ATOM 547 O ALA 69 11.663 0.692 1.863 1.00 0.00 ATOM 548 C ALA 69 11.130 1.739 1.491 1.00 0.00 ATOM 549 N ARG 70 11.439 2.303 0.327 1.00 0.00 ATOM 550 CA ARG 70 12.446 1.714 -0.546 1.00 0.00 ATOM 551 CB ARG 70 12.480 2.380 -1.913 1.00 0.00 ATOM 552 CG ARG 70 13.601 1.909 -2.826 1.00 0.00 ATOM 553 CD ARG 70 13.840 2.782 -4.004 1.00 0.00 ATOM 554 NE ARG 70 14.314 4.118 -3.677 1.00 0.00 ATOM 555 CZ ARG 70 15.582 4.419 -3.339 1.00 0.00 ATOM 556 NH1 ARG 70 16.499 3.480 -3.245 1.00 0.00 ATOM 557 NH2 ARG 70 15.877 5.681 -3.080 1.00 0.00 ATOM 558 O ARG 70 14.586 0.770 -0.036 1.00 0.00 ATOM 559 C ARG 70 13.810 1.723 0.113 1.00 0.00 ATOM 560 N ALA 71 14.121 2.780 0.849 1.00 0.00 ATOM 561 CA ALA 71 15.425 2.836 1.520 1.00 0.00 ATOM 562 CB ALA 71 15.635 4.210 2.146 1.00 0.00 ATOM 563 O ALA 71 16.606 1.091 2.705 1.00 0.00 ATOM 564 C ALA 71 15.547 1.736 2.573 1.00 0.00 ATOM 565 N LEU 72 14.489 1.560 3.366 1.00 0.00 ATOM 566 CA LEU 72 14.496 0.559 4.421 1.00 0.00 ATOM 567 CB LEU 72 13.236 0.692 5.286 1.00 0.00 ATOM 568 CG LEU 72 13.170 1.958 6.152 1.00 0.00 ATOM 569 CD1 LEU 72 11.808 2.059 6.823 1.00 0.00 ATOM 570 CD2 LEU 72 14.282 1.923 7.190 1.00 0.00 ATOM 571 O LEU 72 15.363 -1.703 4.306 1.00 0.00 ATOM 572 C LEU 72 14.597 -0.860 3.829 1.00 0.00 ATOM 573 N THR 73 13.945 -1.051 2.697 1.00 0.00 ATOM 574 CA THR 73 13.972 -2.358 2.060 1.00 0.00 ATOM 575 CB THR 73 12.940 -2.452 0.921 1.00 0.00 ATOM 576 CG2 THR 73 11.526 -2.491 1.482 1.00 0.00 ATOM 577 OG1 THR 73 13.075 -1.318 0.054 1.00 0.00 ATOM 578 O THR 73 15.900 -3.734 1.733 1.00 0.00 ATOM 579 C THR 73 15.366 -2.647 1.513 1.00 0.00 ATOM 580 N GLY 74 15.988 -1.635 0.906 1.00 0.00 ATOM 581 CA GLY 74 17.342 -1.781 0.419 1.00 0.00 ATOM 582 O GLY 74 18.614 -3.205 -1.030 1.00 0.00 ATOM 583 C GLY 74 17.496 -2.698 -0.808 1.00 0.00 ATOM 584 N VAL 75 16.325 -3.038 -1.638 1.00 0.00 ATOM 585 CA VAL 75 16.410 -3.929 -2.832 1.00 0.00 ATOM 586 CB VAL 75 15.012 -4.320 -3.346 1.00 0.00 ATOM 587 CG1 VAL 75 15.125 -5.140 -4.623 1.00 0.00 ATOM 588 CG2 VAL 75 14.250 -5.095 -2.283 1.00 0.00 ATOM 589 O VAL 75 16.817 -2.027 -4.260 1.00 0.00 ATOM 590 C VAL 75 17.211 -3.173 -3.910 1.00 0.00 ATOM 591 N PRO 76 18.271 -3.758 -4.475 1.00 0.00 ATOM 592 CA PRO 76 19.078 -2.963 -5.438 1.00 0.00 ATOM 593 CB PRO 76 20.203 -3.914 -5.852 1.00 0.00 ATOM 594 CG PRO 76 20.376 -4.821 -4.679 1.00 0.00 ATOM 595 CD PRO 76 18.995 -5.077 -4.144 1.00 0.00 ATOM 596 O PRO 76 18.325 -1.371 -7.064 1.00 0.00 ATOM 597 C PRO 76 18.235 -2.521 -6.635 1.00 0.00 ATOM 598 N LYS 77 17.405 -3.371 -7.141 1.00 0.00 ATOM 599 CA LYS 77 16.563 -3.050 -8.291 1.00 0.00 ATOM 600 CB LYS 77 15.810 -4.294 -8.767 1.00 0.00 ATOM 601 CG LYS 77 16.703 -5.394 -9.326 1.00 0.00 ATOM 602 CD LYS 77 17.348 -4.971 -10.637 1.00 0.00 ATOM 603 CE LYS 77 18.212 -6.082 -11.213 1.00 0.00 ATOM 604 NZ LYS 77 18.879 -5.670 -12.477 1.00 0.00 ATOM 605 O LYS 77 15.357 -1.036 -8.777 1.00 0.00 ATOM 606 C LYS 77 15.574 -1.923 -7.936 1.00 0.00 ATOM 607 N GLU 78 14.347 -2.324 -6.736 1.00 0.00 ATOM 608 CA GLU 78 12.992 -1.852 -6.449 1.00 0.00 ATOM 609 CB GLU 78 12.973 -1.031 -5.158 1.00 0.00 ATOM 610 CG GLU 78 11.579 -0.721 -4.632 1.00 0.00 ATOM 611 CD GLU 78 11.021 0.524 -5.264 1.00 0.00 ATOM 612 OE1 GLU 78 11.776 1.255 -5.859 1.00 0.00 ATOM 613 OE2 GLU 78 9.823 0.686 -5.252 1.00 0.00 ATOM 614 O GLU 78 13.154 -0.117 -8.128 1.00 0.00 ATOM 615 C GLU 78 12.475 -1.031 -7.624 1.00 0.00 ATOM 616 N ASP 79 11.278 -1.361 -8.112 1.00 0.00 ATOM 617 CA ASP 79 10.602 -0.547 -9.138 1.00 0.00 ATOM 618 CB ASP 79 10.146 -1.426 -10.306 1.00 0.00 ATOM 619 CG ASP 79 9.469 -0.665 -11.439 1.00 0.00 ATOM 620 OD1 ASP 79 9.271 0.518 -11.299 1.00 0.00 ATOM 621 OD2 ASP 79 9.296 -1.235 -12.489 1.00 0.00 ATOM 622 O ASP 79 8.465 -0.534 -8.010 1.00 0.00 ATOM 623 C ASP 79 9.447 0.142 -8.436 1.00 0.00 ATOM 624 N ALA 80 9.536 1.408 -8.111 1.00 0.00 ATOM 625 CA ALA 80 8.572 2.209 -7.394 1.00 0.00 ATOM 626 CB ALA 80 9.270 3.327 -6.636 1.00 0.00 ATOM 627 O ALA 80 7.893 3.424 -9.360 1.00 0.00 ATOM 628 C ALA 80 7.551 2.850 -8.340 1.00 0.00 ATOM 629 N LEU 81 6.265 2.677 -8.037 1.00 0.00 ATOM 630 CA LEU 81 5.150 3.147 -8.877 1.00 0.00 ATOM 631 CB LEU 81 4.481 1.968 -9.587 1.00 0.00 ATOM 632 CG LEU 81 3.261 2.300 -10.449 1.00 0.00 ATOM 633 CD1 LEU 81 3.665 3.139 -11.652 1.00 0.00 ATOM 634 CD2 LEU 81 2.599 1.027 -10.954 1.00 0.00 ATOM 635 O LEU 81 3.597 3.475 -6.969 1.00 0.00 ATOM 636 C LEU 81 4.105 3.850 -8.052 1.00 0.00 ATOM 637 N LEU 82 3.883 5.108 -8.636 1.00 0.00 ATOM 638 CA LEU 82 2.847 5.918 -8.070 1.00 0.00 ATOM 639 CB LEU 82 3.436 7.227 -7.527 1.00 0.00 ATOM 640 CG LEU 82 2.413 8.213 -6.950 1.00 0.00 ATOM 641 CD1 LEU 82 1.768 7.625 -5.701 1.00 0.00 ATOM 642 CD2 LEU 82 3.100 9.533 -6.632 1.00 0.00 ATOM 643 O LEU 82 2.234 6.499 -10.301 1.00 0.00 ATOM 644 C LEU 82 1.836 6.120 -9.216 1.00 0.00 ATOM 645 N LEU 83 0.582 5.823 -8.945 1.00 0.00 ATOM 646 CA LEU 83 -0.493 5.996 -9.894 1.00 0.00 ATOM 647 CB LEU 83 -0.840 4.655 -10.553 1.00 0.00 ATOM 648 CG LEU 83 -1.256 3.540 -9.584 1.00 0.00 ATOM 649 CD1 LEU 83 -2.722 3.698 -9.206 1.00 0.00 ATOM 650 CD2 LEU 83 -1.009 2.186 -10.231 1.00 0.00 ATOM 651 O LEU 83 -1.932 6.484 -7.975 1.00 0.00 ATOM 652 C LEU 83 -1.694 6.590 -9.193 1.00 0.00 ATOM 653 N GLU 84 -2.480 7.312 -9.969 1.00 0.00 ATOM 654 CA GLU 84 -3.765 7.863 -9.470 1.00 0.00 ATOM 655 CB GLU 84 -3.912 9.331 -9.875 1.00 0.00 ATOM 656 CG GLU 84 -2.912 10.269 -9.215 1.00 0.00 ATOM 657 CD GLU 84 -1.670 10.417 -10.048 1.00 0.00 ATOM 658 OE1 GLU 84 -1.080 9.418 -10.385 1.00 0.00 ATOM 659 OE2 GLU 84 -1.371 11.519 -10.443 1.00 0.00 ATOM 660 O GLU 84 -4.975 6.679 -11.221 1.00 0.00 ATOM 661 C GLU 84 -4.866 6.994 -10.040 1.00 0.00 ATOM 662 N GLY 85 -5.708 6.400 -9.160 1.00 0.00 ATOM 663 CA GLY 85 -6.779 5.544 -9.665 1.00 0.00 ATOM 664 O GLY 85 -7.239 5.294 -7.341 1.00 0.00 ATOM 665 C GLY 85 -7.432 4.864 -8.477 1.00 0.00 ATOM 666 N VAL 86 -8.275 3.766 -8.764 1.00 0.00 ATOM 667 CA VAL 86 -8.913 2.997 -7.718 1.00 0.00 ATOM 668 CB VAL 86 -10.171 2.274 -8.235 1.00 0.00 ATOM 669 CG1 VAL 86 -10.787 1.425 -7.134 1.00 0.00 ATOM 670 CG2 VAL 86 -11.184 3.279 -8.761 1.00 0.00 ATOM 671 O VAL 86 -7.472 1.104 -7.912 1.00 0.00 ATOM 672 C VAL 86 -7.930 1.971 -7.142 1.00 0.00 ATOM 673 N PRO 87 -7.518 2.067 -5.885 1.00 0.00 ATOM 674 CA PRO 87 -6.424 1.271 -5.347 1.00 0.00 ATOM 675 CB PRO 87 -6.495 1.515 -3.839 1.00 0.00 ATOM 676 CG PRO 87 -7.045 2.896 -3.710 1.00 0.00 ATOM 677 CD PRO 87 -8.116 3.018 -4.757 1.00 0.00 ATOM 678 O PRO 87 -5.469 -0.793 -6.138 1.00 0.00 ATOM 679 C PRO 87 -6.439 -0.223 -5.620 1.00 0.00 ATOM 680 N ALA 88 -7.538 -0.908 -5.258 1.00 0.00 ATOM 681 CA ALA 88 -7.645 -2.350 -5.492 1.00 0.00 ATOM 682 CB ALA 88 -8.933 -2.949 -4.948 1.00 0.00 ATOM 683 O ALA 88 -6.869 -3.739 -7.288 1.00 0.00 ATOM 684 C ALA 88 -7.529 -2.752 -6.960 1.00 0.00 ATOM 685 N GLU 89 -8.157 -1.973 -7.829 1.00 0.00 ATOM 686 CA GLU 89 -8.119 -2.247 -9.261 1.00 0.00 ATOM 687 CB GLU 89 -9.077 -1.317 -10.010 1.00 0.00 ATOM 688 CG GLU 89 -10.552 -1.608 -9.771 1.00 0.00 ATOM 689 CD GLU 89 -11.425 -0.576 -10.427 1.00 0.00 ATOM 690 OE1 GLU 89 -10.897 0.360 -10.977 1.00 0.00 ATOM 691 OE2 GLU 89 -12.616 -0.780 -10.478 1.00 0.00 ATOM 692 O GLU 89 -6.240 -2.946 -10.623 1.00 0.00 ATOM 693 C GLU 89 -6.699 -2.102 -9.834 1.00 0.00 ATOM 694 N ALA 90 -6.057 -1.025 -9.464 1.00 0.00 ATOM 695 CA ALA 90 -4.667 -0.756 -9.892 1.00 0.00 ATOM 696 CB ALA 90 -4.213 0.607 -9.395 1.00 0.00 ATOM 697 O ALA 90 -2.838 -2.240 -10.042 1.00 0.00 ATOM 698 C ALA 90 -3.717 -1.811 -9.318 1.00 0.00 ATOM 699 N ILE 91 -3.845 -2.224 -8.069 1.00 0.00 ATOM 700 CA ILE 91 -3.033 -3.296 -7.533 1.00 0.00 ATOM 701 CB ILE 91 -3.367 -3.573 -6.056 1.00 0.00 ATOM 702 CG1 ILE 91 -3.048 -2.347 -5.197 1.00 0.00 ATOM 703 CG2 ILE 91 -2.602 -4.790 -5.557 1.00 0.00 ATOM 704 CD1 ILE 91 -3.724 -2.356 -3.844 1.00 0.00 ATOM 705 O ILE 91 -2.240 -5.216 -8.739 1.00 0.00 ATOM 706 C ILE 91 -3.219 -4.583 -8.343 1.00 0.00 ATOM 707 N LEU 92 -4.475 -4.962 -8.629 1.00 0.00 ATOM 708 CA LEU 92 -4.765 -6.169 -9.440 1.00 0.00 ATOM 709 CB LEU 92 -6.280 -6.390 -9.537 1.00 0.00 ATOM 710 CG LEU 92 -6.710 -7.601 -10.376 1.00 0.00 ATOM 711 CD1 LEU 92 -6.928 -7.181 -11.823 1.00 0.00 ATOM 712 CD2 LEU 92 -5.650 -8.687 -10.282 1.00 0.00 ATOM 713 O LEU 92 -3.442 -6.963 -11.321 1.00 0.00 ATOM 714 C LEU 92 -4.143 -6.042 -10.844 1.00 0.00 ATOM 715 N GLN 93 -4.353 -4.910 -11.497 1.00 0.00 ATOM 716 CA GLN 93 -3.793 -4.701 -12.834 1.00 0.00 ATOM 717 CB GLN 93 -4.265 -3.362 -13.410 1.00 0.00 ATOM 718 CG GLN 93 -5.737 -3.329 -13.782 1.00 0.00 ATOM 719 CD GLN 93 -6.189 -1.951 -14.228 1.00 0.00 ATOM 720 OE1 GLN 93 -5.423 -0.984 -14.179 1.00 0.00 ATOM 721 NE2 GLN 93 -7.441 -1.852 -14.661 1.00 0.00 ATOM 722 O GLN 93 -1.680 -5.354 -13.767 1.00 0.00 ATOM 723 C GLN 93 -2.269 -4.728 -12.886 1.00 0.00 ATOM 724 N ALA 94 -1.605 -4.040 -11.961 1.00 0.00 ATOM 725 CA ALA 94 -0.142 -3.994 -11.943 1.00 0.00 ATOM 726 CB ALA 94 0.379 -2.889 -11.037 1.00 0.00 ATOM 727 O ALA 94 1.413 -5.753 -12.220 1.00 0.00 ATOM 728 C ALA 94 0.442 -5.349 -11.597 1.00 0.00 ATOM 729 N ALA 95 -0.138 -6.063 -10.611 1.00 0.00 ATOM 730 CA ALA 95 0.378 -7.381 -10.241 1.00 0.00 ATOM 731 CB ALA 95 -0.507 -8.024 -9.185 1.00 0.00 ATOM 732 O ALA 95 1.395 -8.919 -11.768 1.00 0.00 ATOM 733 C ALA 95 0.412 -8.242 -11.494 1.00 0.00 ATOM 734 N ARG 96 -0.645 -8.186 -12.321 1.00 0.00 ATOM 735 CA ARG 96 -0.701 -8.955 -13.559 1.00 0.00 ATOM 736 CB ARG 96 -2.112 -9.028 -14.126 1.00 0.00 ATOM 737 CG ARG 96 -3.076 -9.896 -13.333 1.00 0.00 ATOM 738 CD ARG 96 -4.471 -9.884 -13.843 1.00 0.00 ATOM 739 NE ARG 96 -4.636 -10.477 -15.160 1.00 0.00 ATOM 740 CZ ARG 96 -5.738 -10.345 -15.925 1.00 0.00 ATOM 741 NH1 ARG 96 -6.785 -9.677 -15.495 1.00 0.00 ATOM 742 NH2 ARG 96 -5.746 -10.927 -17.112 1.00 0.00 ATOM 743 O ARG 96 0.949 -9.246 -15.284 1.00 0.00 ATOM 744 C ARG 96 0.274 -8.453 -14.625 1.00 0.00 ATOM 745 N ALA 97 0.325 -7.139 -14.801 1.00 0.00 ATOM 746 CA ALA 97 1.211 -6.556 -15.810 1.00 0.00 ATOM 747 CB ALA 97 0.958 -5.067 -15.985 1.00 0.00 ATOM 748 O ALA 97 3.495 -6.902 -16.448 1.00 0.00 ATOM 749 C ALA 97 2.685 -6.728 -15.517 1.00 0.00 ATOM 750 N GLU 98 3.009 -6.768 -14.216 1.00 0.00 ATOM 751 CA GLU 98 4.433 -7.018 -13.864 1.00 0.00 ATOM 752 CB GLU 98 4.781 -6.349 -12.533 1.00 0.00 ATOM 753 CG GLU 98 4.604 -4.840 -12.532 1.00 0.00 ATOM 754 CD GLU 98 5.461 -4.152 -13.579 1.00 0.00 ATOM 755 OE1 GLU 98 6.680 -4.418 -13.615 1.00 0.00 ATOM 756 OE2 GLU 98 4.911 -3.347 -14.360 1.00 0.00 ATOM 757 O GLU 98 5.971 -8.750 -13.362 1.00 0.00 ATOM 758 C GLU 98 4.800 -8.462 -13.712 1.00 0.00 ATOM 759 N LYS 99 3.880 -9.425 -13.833 1.00 0.00 ATOM 760 CA LYS 99 4.139 -10.835 -13.676 1.00 0.00 ATOM 761 CB LYS 99 5.088 -11.330 -14.769 1.00 0.00 ATOM 762 CG LYS 99 4.535 -11.211 -16.183 1.00 0.00 ATOM 763 CD LYS 99 5.524 -11.737 -17.211 1.00 0.00 ATOM 764 CE LYS 99 4.991 -11.580 -18.627 1.00 0.00 ATOM 765 NZ LYS 99 5.986 -12.003 -19.648 1.00 0.00 ATOM 766 O LYS 99 5.582 -12.037 -12.202 1.00 0.00 ATOM 767 C LYS 99 4.728 -11.150 -12.288 1.00 0.00 ATOM 768 N ALA 100 4.091 -10.598 -11.248 1.00 0.00 ATOM 769 CA ALA 100 4.656 -10.928 -9.903 1.00 0.00 ATOM 770 CB ALA 100 4.103 -9.981 -8.850 1.00 0.00 ATOM 771 O ALA 100 3.327 -12.921 -9.876 1.00 0.00 ATOM 772 C ALA 100 4.323 -12.330 -9.475 1.00 0.00 ATOM 773 N ASP 101 5.077 -12.828 -8.473 1.00 0.00 ATOM 774 CA ASP 101 4.885 -14.174 -7.934 1.00 0.00 ATOM 775 CB ASP 101 6.232 -14.806 -7.577 1.00 0.00 ATOM 776 CG ASP 101 7.153 -15.037 -8.768 1.00 0.00 ATOM 777 OD1 ASP 101 6.735 -15.681 -9.701 1.00 0.00 ATOM 778 OD2 ASP 101 8.203 -14.442 -8.805 1.00 0.00 ATOM 779 O ASP 101 3.364 -15.123 -6.320 1.00 0.00 ATOM 780 C ASP 101 3.966 -14.114 -6.705 1.00 0.00 ATOM 781 N LEU 102 4.052 -12.896 -5.942 1.00 0.00 ATOM 782 CA LEU 102 3.276 -12.757 -4.716 1.00 0.00 ATOM 783 CB LEU 102 4.031 -13.385 -3.537 1.00 0.00 ATOM 784 CG LEU 102 3.446 -13.081 -2.152 1.00 0.00 ATOM 785 CD1 LEU 102 2.188 -13.908 -1.923 1.00 0.00 ATOM 786 CD2 LEU 102 4.488 -13.378 -1.084 1.00 0.00 ATOM 787 O LEU 102 3.783 -10.437 -4.849 1.00 0.00 ATOM 788 C LEU 102 2.977 -11.288 -4.451 1.00 0.00 ATOM 789 N ILE 103 1.867 -10.963 -3.813 1.00 0.00 ATOM 790 CA ILE 103 1.490 -9.652 -3.352 1.00 0.00 ATOM 791 CB ILE 103 0.069 -9.278 -3.813 1.00 0.00 ATOM 792 CG1 ILE 103 -0.008 -9.255 -5.341 1.00 0.00 ATOM 793 CG2 ILE 103 -0.317 -7.904 -3.290 1.00 0.00 ATOM 794 CD1 ILE 103 -1.415 -9.123 -5.881 1.00 0.00 ATOM 795 O ILE 103 0.889 -10.568 -1.231 1.00 0.00 ATOM 796 C ILE 103 1.553 -9.702 -1.812 1.00 0.00 ATOM 797 N VAL 104 2.306 -8.793 -1.224 1.00 0.00 ATOM 798 CA VAL 104 2.409 -8.775 0.251 1.00 0.00 ATOM 799 CB VAL 104 3.866 -8.957 0.718 1.00 0.00 ATOM 800 CG1 VAL 104 3.975 -8.735 2.219 1.00 0.00 ATOM 801 CG2 VAL 104 4.376 -10.340 0.345 1.00 0.00 ATOM 802 O VAL 104 2.223 -6.370 0.081 1.00 0.00 ATOM 803 C VAL 104 1.815 -7.417 0.576 1.00 0.00 ATOM 804 N MET 105 0.839 -7.425 1.569 1.00 0.00 ATOM 805 CA MET 105 0.119 -6.209 1.931 1.00 0.00 ATOM 806 CB MET 105 -0.916 -5.870 0.861 1.00 0.00 ATOM 807 CG MET 105 -2.015 -6.910 0.694 1.00 0.00 ATOM 808 SD MET 105 -3.078 -6.579 -0.724 1.00 0.00 ATOM 809 CE MET 105 -4.016 -5.178 -0.123 1.00 0.00 ATOM 810 O MET 105 -0.821 -7.431 3.788 1.00 0.00 ATOM 811 C MET 105 -0.572 -6.329 3.303 1.00 0.00 ATOM 812 N GLY 106 -0.877 -5.217 3.895 1.00 0.00 ATOM 813 CA GLY 106 -1.584 -5.202 5.184 1.00 0.00 ATOM 814 O GLY 106 -3.696 -5.587 4.111 1.00 0.00 ATOM 815 C GLY 106 -3.000 -5.683 5.116 1.00 0.00 ATOM 816 N THR 107 -3.528 -6.075 6.306 1.00 0.00 ATOM 817 CA THR 107 -4.979 -6.376 6.330 1.00 0.00 ATOM 818 CB THR 107 -5.354 -7.255 7.537 1.00 0.00 ATOM 819 CG2 THR 107 -5.279 -6.452 8.826 1.00 0.00 ATOM 820 OG1 THR 107 -6.685 -7.761 7.368 1.00 0.00 ATOM 821 O THR 107 -6.990 -5.096 6.016 1.00 0.00 ATOM 822 C THR 107 -5.807 -5.106 6.370 1.00 0.00 ATOM 823 N ARG 108 -5.204 -3.979 6.966 1.00 0.00 ATOM 824 CA ARG 108 -5.830 -2.675 7.210 1.00 0.00 ATOM 825 CB ARG 108 -6.343 -2.543 8.637 1.00 0.00 ATOM 826 CG ARG 108 -7.646 -3.274 8.918 1.00 0.00 ATOM 827 CD ARG 108 -8.246 -2.970 10.243 1.00 0.00 ATOM 828 NE ARG 108 -7.449 -3.400 11.379 1.00 0.00 ATOM 829 CZ ARG 108 -7.480 -4.638 11.910 1.00 0.00 ATOM 830 NH1 ARG 108 -8.292 -5.558 11.437 1.00 0.00 ATOM 831 NH2 ARG 108 -6.689 -4.897 12.936 1.00 0.00 ATOM 832 O ARG 108 -3.699 -1.813 6.500 1.00 0.00 ATOM 833 C ARG 108 -4.853 -1.577 6.836 1.00 0.00 ATOM 834 N GLY 109 -5.335 -0.318 6.909 1.00 0.00 ATOM 835 CA GLY 109 -4.590 0.781 6.317 1.00 0.00 ATOM 836 O GLY 109 -4.732 2.062 8.356 1.00 0.00 ATOM 837 C GLY 109 -4.745 2.072 7.113 1.00 0.00 ATOM 838 N LEU 110 -4.945 3.179 6.271 1.00 0.00 ATOM 839 CA LEU 110 -5.049 4.483 6.938 1.00 0.00 ATOM 840 CB LEU 110 -5.083 5.610 5.897 1.00 0.00 ATOM 841 CG LEU 110 -3.768 5.839 5.141 1.00 0.00 ATOM 842 CD1 LEU 110 -3.980 6.847 4.019 1.00 0.00 ATOM 843 CD2 LEU 110 -2.702 6.329 6.110 1.00 0.00 ATOM 844 O LEU 110 -6.264 5.048 8.934 1.00 0.00 ATOM 845 C LEU 110 -6.291 4.508 7.817 1.00 0.00 ATOM 846 N GLY 111 -7.416 3.985 7.303 1.00 0.00 ATOM 847 CA GLY 111 -8.666 4.068 8.067 1.00 0.00 ATOM 848 O GLY 111 -8.749 3.891 10.507 1.00 0.00 ATOM 849 C GLY 111 -8.582 3.332 9.390 1.00 0.00 ATOM 850 N ALA 112 -8.288 2.051 9.285 1.00 0.00 ATOM 851 CA ALA 112 -8.059 1.158 10.420 1.00 0.00 ATOM 852 CB ALA 112 -6.774 1.536 11.140 1.00 0.00 ATOM 853 O ALA 112 -8.744 0.757 12.659 1.00 0.00 ATOM 854 C ALA 112 -9.099 1.101 11.523 1.00 0.00 ATOM 855 N LEU 113 -10.398 1.248 11.027 1.00 0.00 ATOM 856 CA LEU 113 -11.398 1.054 12.066 1.00 0.00 ATOM 857 CB LEU 113 -12.806 1.239 11.488 1.00 0.00 ATOM 858 CG LEU 113 -13.145 2.666 11.038 1.00 0.00 ATOM 859 CD1 LEU 113 -14.509 2.691 10.362 1.00 0.00 ATOM 860 CD2 LEU 113 -13.124 3.597 12.242 1.00 0.00 ATOM 861 O LEU 113 -11.236 -1.378 12.141 1.00 0.00 ATOM 862 C LEU 113 -11.326 -0.323 12.766 1.00 0.00 ATOM 863 N GLY 114 -11.408 -0.268 14.090 1.00 0.00 ATOM 864 CA GLY 114 -11.328 -1.489 14.900 1.00 0.00 ATOM 865 O GLY 114 -12.008 -3.734 14.442 1.00 0.00 ATOM 866 C GLY 114 -12.321 -2.531 14.438 1.00 0.00 ATOM 867 N SER 115 -13.630 -2.099 14.225 1.00 0.00 ATOM 868 CA SER 115 -14.719 -3.001 13.896 1.00 0.00 ATOM 869 CB SER 115 -16.038 -2.253 13.910 1.00 0.00 ATOM 870 OG SER 115 -16.109 -1.292 12.894 1.00 0.00 ATOM 871 O SER 115 -15.227 -4.686 12.296 1.00 0.00 ATOM 872 C SER 115 -14.571 -3.710 12.538 1.00 0.00 ATOM 873 N LEU 116 -13.802 -3.065 11.669 1.00 0.00 ATOM 874 CA LEU 116 -13.601 -3.623 10.312 1.00 0.00 ATOM 875 CB LEU 116 -13.225 -2.507 9.329 1.00 0.00 ATOM 876 CG LEU 116 -13.026 -2.955 7.876 1.00 0.00 ATOM 877 CD1 LEU 116 -14.343 -3.455 7.298 1.00 0.00 ATOM 878 CD2 LEU 116 -12.482 -1.795 7.055 1.00 0.00 ATOM 879 O LEU 116 -11.439 -4.417 10.922 1.00 0.00 ATOM 880 C LEU 116 -12.521 -4.693 10.412 1.00 0.00 ATOM 881 N PHE 117 -12.818 -5.904 9.909 1.00 0.00 ATOM 882 CA PHE 117 -11.849 -6.983 10.116 1.00 0.00 ATOM 883 CB PHE 117 -12.565 -8.274 10.517 1.00 0.00 ATOM 884 CG PHE 117 -13.292 -8.180 11.829 1.00 0.00 ATOM 885 CD1 PHE 117 -14.670 -8.026 11.864 1.00 0.00 ATOM 886 CD2 PHE 117 -12.600 -8.247 13.029 1.00 0.00 ATOM 887 CE1 PHE 117 -15.340 -7.941 13.070 1.00 0.00 ATOM 888 CE2 PHE 117 -13.268 -8.162 14.235 1.00 0.00 ATOM 889 CZ PHE 117 -14.639 -8.009 14.255 1.00 0.00 ATOM 890 O PHE 117 -9.961 -7.964 9.099 1.00 0.00 ATOM 891 C PHE 117 -10.967 -7.272 8.892 1.00 0.00 ATOM 892 N LEU 118 -11.326 -6.589 7.810 1.00 0.00 ATOM 893 CA LEU 118 -10.403 -6.724 6.626 1.00 0.00 ATOM 894 CB LEU 118 -10.705 -8.010 5.856 1.00 0.00 ATOM 895 CG LEU 118 -9.840 -8.280 4.622 1.00 0.00 ATOM 896 CD1 LEU 118 -8.399 -8.556 5.025 1.00 0.00 ATOM 897 CD2 LEU 118 -10.359 -9.487 3.855 1.00 0.00 ATOM 898 O LEU 118 -11.907 -5.197 5.506 1.00 0.00 ATOM 899 C LEU 118 -10.721 -5.463 5.806 1.00 0.00 ATOM 900 N GLY 119 -9.679 -4.757 5.467 1.00 0.00 ATOM 901 CA GLY 119 -9.821 -3.556 4.662 1.00 0.00 ATOM 902 O GLY 119 -10.172 -4.955 2.759 1.00 0.00 ATOM 903 C GLY 119 -10.406 -3.874 3.274 1.00 0.00 ATOM 904 N SER 120 -11.159 -2.993 2.446 1.00 0.00 ATOM 905 CA SER 120 -11.794 -3.275 1.147 1.00 0.00 ATOM 906 CB SER 120 -12.705 -2.118 0.733 1.00 0.00 ATOM 907 OG SER 120 -11.955 -0.942 0.482 1.00 0.00 ATOM 908 O SER 120 -11.025 -4.271 -0.887 1.00 0.00 ATOM 909 C SER 120 -10.778 -3.489 0.031 1.00 0.00 ATOM 910 N GLN 121 -9.649 -2.807 0.113 1.00 0.00 ATOM 911 CA GLN 121 -8.615 -2.943 -0.905 1.00 0.00 ATOM 912 CB GLN 121 -7.438 -2.017 -0.591 1.00 0.00 ATOM 913 CG GLN 121 -7.746 -0.541 -0.774 1.00 0.00 ATOM 914 CD GLN 121 -6.604 0.352 -0.329 1.00 0.00 ATOM 915 OE1 GLN 121 -6.661 1.571 -0.484 1.00 0.00 ATOM 916 NE2 GLN 121 -5.562 -0.255 0.227 1.00 0.00 ATOM 917 O GLN 121 -8.012 -5.061 -1.959 1.00 0.00 ATOM 918 C GLN 121 -8.120 -4.397 -0.940 1.00 0.00 ATOM 919 N SER 122 -7.751 -4.894 0.255 1.00 0.00 ATOM 920 CA SER 122 -7.270 -6.297 0.330 1.00 0.00 ATOM 921 CB SER 122 -6.782 -6.607 1.731 1.00 0.00 ATOM 922 OG SER 122 -7.818 -6.556 2.673 1.00 0.00 ATOM 923 O SER 122 -8.053 -8.281 -0.742 1.00 0.00 ATOM 924 C SER 122 -8.351 -7.291 -0.077 1.00 0.00 ATOM 925 N GLN 123 -9.580 -7.066 0.356 1.00 0.00 ATOM 926 CA GLN 123 -10.668 -8.004 0.008 1.00 0.00 ATOM 927 CB GLN 123 -11.985 -7.555 0.642 1.00 0.00 ATOM 928 CG GLN 123 -13.156 -8.485 0.369 1.00 0.00 ATOM 929 CD GLN 123 -14.439 -8.017 1.028 1.00 0.00 ATOM 930 OE1 GLN 123 -14.484 -6.944 1.628 1.00 0.00 ATOM 931 NE2 GLN 123 -15.488 -8.825 0.918 1.00 0.00 ATOM 932 O GLN 123 -10.884 -9.127 -2.082 1.00 0.00 ATOM 933 C GLN 123 -10.815 -8.043 -1.509 1.00 0.00 ATOM 934 N ARG 124 -10.842 -6.887 -2.161 1.00 0.00 ATOM 935 CA ARG 124 -11.019 -6.847 -3.600 1.00 0.00 ATOM 936 CB ARG 124 -11.267 -5.435 -4.109 1.00 0.00 ATOM 937 CG ARG 124 -12.623 -4.852 -3.745 1.00 0.00 ATOM 938 CD ARG 124 -12.830 -3.454 -4.201 1.00 0.00 ATOM 939 NE ARG 124 -14.115 -2.882 -3.828 1.00 0.00 ATOM 940 CZ ARG 124 -14.493 -1.616 -4.088 1.00 0.00 ATOM 941 NH1 ARG 124 -13.680 -0.776 -4.688 1.00 0.00 ATOM 942 NH2 ARG 124 -15.699 -1.233 -3.704 1.00 0.00 ATOM 943 O ARG 124 -10.052 -8.192 -5.272 1.00 0.00 ATOM 944 C ARG 124 -9.806 -7.521 -4.257 1.00 0.00 ATOM 945 N VAL 125 -8.602 -7.176 -3.809 1.00 0.00 ATOM 946 CA VAL 125 -7.441 -7.792 -4.534 1.00 0.00 ATOM 947 CB VAL 125 -6.096 -7.294 -3.974 1.00 0.00 ATOM 948 CG1 VAL 125 -4.942 -8.075 -4.582 1.00 0.00 ATOM 949 CG2 VAL 125 -5.901 -5.819 -4.294 1.00 0.00 ATOM 950 O VAL 125 -7.149 -10.001 -5.443 1.00 0.00 ATOM 951 C VAL 125 -7.438 -9.328 -4.447 1.00 0.00 ATOM 952 N VAL 126 -7.761 -9.885 -3.276 1.00 0.00 ATOM 953 CA VAL 126 -7.812 -11.324 -3.071 1.00 0.00 ATOM 954 CB VAL 126 -8.178 -11.731 -1.632 1.00 0.00 ATOM 955 CG1 VAL 126 -8.512 -13.213 -1.566 1.00 0.00 ATOM 956 CG2 VAL 126 -7.018 -11.457 -0.688 1.00 0.00 ATOM 957 O VAL 126 -8.552 -12.873 -4.801 1.00 0.00 ATOM 958 C VAL 126 -8.828 -11.933 -4.036 1.00 0.00 ATOM 959 N ALA 127 -10.047 -11.381 -3.983 1.00 0.00 ATOM 960 CA ALA 127 -11.115 -11.868 -4.857 1.00 0.00 ATOM 961 CB ALA 127 -12.452 -11.232 -4.502 1.00 0.00 ATOM 962 O ALA 127 -11.419 -12.486 -7.093 1.00 0.00 ATOM 963 C ALA 127 -10.888 -11.663 -6.349 1.00 0.00 ATOM 964 N GLU 128 -10.184 -10.619 -6.788 1.00 0.00 ATOM 965 CA GLU 128 -10.103 -10.331 -8.233 1.00 0.00 ATOM 966 CB GLU 128 -10.273 -8.832 -8.491 1.00 0.00 ATOM 967 CG GLU 128 -11.627 -8.273 -8.079 1.00 0.00 ATOM 968 CD GLU 128 -11.695 -6.787 -8.300 1.00 0.00 ATOM 969 OE1 GLU 128 -10.717 -6.224 -8.731 1.00 0.00 ATOM 970 OE2 GLU 128 -12.756 -6.231 -8.142 1.00 0.00 ATOM 971 O GLU 128 -8.655 -11.298 -9.869 1.00 0.00 ATOM 972 C GLU 128 -8.759 -10.848 -8.729 1.00 0.00 ATOM 973 N ALA 129 -7.453 -10.869 -8.042 1.00 0.00 ATOM 974 CA ALA 129 -6.157 -11.355 -8.519 1.00 0.00 ATOM 975 CB ALA 129 -5.056 -10.751 -7.661 1.00 0.00 ATOM 976 O ALA 129 -6.420 -13.528 -7.575 1.00 0.00 ATOM 977 C ALA 129 -5.961 -12.853 -8.493 1.00 0.00 ATOM 978 N PRO 130 -5.184 -13.424 -9.437 1.00 0.00 ATOM 979 CA PRO 130 -4.824 -14.840 -9.270 1.00 0.00 ATOM 980 CB PRO 130 -4.764 -15.378 -10.701 1.00 0.00 ATOM 981 CG PRO 130 -4.219 -14.244 -11.503 1.00 0.00 ATOM 982 CD PRO 130 -4.816 -12.995 -10.919 1.00 0.00 ATOM 983 O PRO 130 -3.073 -16.270 -8.481 1.00 0.00 ATOM 984 C PRO 130 -3.498 -15.121 -8.575 1.00 0.00 ATOM 985 N CYS 131 -2.804 -13.988 -8.082 1.00 0.00 ATOM 986 CA CYS 131 -1.510 -14.072 -7.428 1.00 0.00 ATOM 987 CB CYS 131 -0.768 -12.740 -7.537 1.00 0.00 ATOM 988 SG CYS 131 -0.400 -12.225 -9.231 1.00 0.00 ATOM 989 O CYS 131 -2.758 -14.054 -5.354 1.00 0.00 ATOM 990 C CYS 131 -1.721 -14.417 -5.933 1.00 0.00 ATOM 991 N PRO 132 -0.775 -15.119 -5.351 1.00 0.00 ATOM 992 CA PRO 132 -0.800 -15.373 -3.901 1.00 0.00 ATOM 993 CB PRO 132 0.471 -16.187 -3.644 1.00 0.00 ATOM 994 CG PRO 132 0.766 -16.840 -4.953 1.00 0.00 ATOM 995 CD PRO 132 0.392 -15.840 -6.011 1.00 0.00 ATOM 996 O PRO 132 -0.181 -13.067 -3.670 1.00 0.00 ATOM 997 C PRO 132 -0.791 -14.007 -3.191 1.00 0.00 ATOM 998 N VAL 133 -1.557 -13.845 -2.118 1.00 0.00 ATOM 999 CA VAL 133 -1.626 -12.582 -1.369 1.00 0.00 ATOM 1000 CB VAL 133 -3.021 -11.938 -1.476 1.00 0.00 ATOM 1001 CG1 VAL 133 -3.076 -10.649 -0.671 1.00 0.00 ATOM 1002 CG2 VAL 133 -3.348 -11.615 -2.925 1.00 0.00 ATOM 1003 O VAL 133 -1.826 -13.819 0.651 1.00 0.00 ATOM 1004 C VAL 133 -1.305 -12.870 0.081 1.00 0.00 ATOM 1005 N LEU 134 -0.404 -12.064 0.662 1.00 0.00 ATOM 1006 CA LEU 134 -0.038 -12.237 2.054 1.00 0.00 ATOM 1007 CB LEU 134 1.487 -12.314 2.195 1.00 0.00 ATOM 1008 CG LEU 134 2.004 -12.442 3.633 1.00 0.00 ATOM 1009 CD1 LEU 134 1.573 -13.776 4.228 1.00 0.00 ATOM 1010 CD2 LEU 134 3.520 -12.313 3.643 1.00 0.00 ATOM 1011 O LEU 134 -0.427 -9.897 2.474 1.00 0.00 ATOM 1012 C LEU 134 -0.628 -11.078 2.835 1.00 0.00 ATOM 1013 N LEU 135 -1.396 -11.317 3.923 1.00 0.00 ATOM 1014 CA LEU 135 -1.998 -10.259 4.726 1.00 0.00 ATOM 1015 CB LEU 135 -3.482 -10.560 4.973 1.00 0.00 ATOM 1016 CG LEU 135 -4.345 -10.667 3.709 1.00 0.00 ATOM 1017 CD1 LEU 135 -5.772 -11.042 4.082 1.00 0.00 ATOM 1018 CD2 LEU 135 -4.313 -9.344 2.957 1.00 0.00 ATOM 1019 O LEU 135 -1.000 -11.160 6.712 1.00 0.00 ATOM 1020 C LEU 135 -1.208 -10.153 6.028 1.00 0.00 ATOM 1021 N VAL 136 -0.739 -8.949 6.326 1.00 0.00 ATOM 1022 CA VAL 136 0.034 -8.704 7.554 1.00 0.00 ATOM 1023 CB VAL 136 1.361 -7.982 7.253 1.00 0.00 ATOM 1024 CG1 VAL 136 2.059 -7.589 8.545 1.00 0.00 ATOM 1025 CG2 VAL 136 2.266 -8.863 6.405 1.00 0.00 ATOM 1026 O VAL 136 -1.376 -6.813 8.077 1.00 0.00 ATOM 1027 C VAL 136 -0.909 -7.873 8.436 1.00 0.00 ATOM 1028 N ARG 137 -1.243 -8.460 9.610 1.00 0.00 ATOM 1029 CA ARG 137 -2.173 -7.799 10.493 1.00 0.00 ATOM 1030 CB ARG 137 -2.743 -8.747 11.538 1.00 0.00 ATOM 1031 CG ARG 137 -3.807 -8.139 12.439 1.00 0.00 ATOM 1032 CD ARG 137 -4.439 -9.102 13.377 1.00 0.00 ATOM 1033 NE ARG 137 -5.501 -8.540 14.194 1.00 0.00 ATOM 1034 CZ ARG 137 -5.310 -7.895 15.361 1.00 0.00 ATOM 1035 NH1 ARG 137 -4.105 -7.763 15.872 1.00 0.00 ATOM 1036 NH2 ARG 137 -6.368 -7.421 15.994 1.00 0.00 ATOM 1037 O ARG 137 -0.470 -6.384 11.502 1.00 0.00 ATOM 1038 C ARG 137 -1.633 -6.523 11.214 1.00 0.00 TER END