PFRMAT TS TARGET T0210 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 This is the model built by alignment to 1j58A, our second-best template: METHOD T0210-1j58A-t04-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 METHOD with sidechains repacked by SCWRL. METHOD REMARK 6 REMARK 6 T0210 model 5 Mon Jul 12 16:20:48 2004 MODEL 5 PARENT 1j58_A ATOM 2 N GLU 18 -35.070 20.146 33.761 1.00 0.00 ATOM 3 CA GLU 18 -34.347 21.032 32.862 1.00 0.00 ATOM 4 CB GLU 18 -32.888 21.167 33.302 1.00 0.00 ATOM 5 CG GLU 18 -32.080 22.155 32.477 1.00 0.00 ATOM 6 CD GLU 18 -30.646 22.279 32.956 1.00 0.00 ATOM 7 OE1 GLU 18 -30.298 21.626 33.961 1.00 0.00 ATOM 8 OE2 GLU 18 -29.873 23.031 32.327 1.00 0.00 ATOM 9 O GLU 18 -33.821 19.340 31.251 1.00 0.00 ATOM 10 C GLU 18 -34.461 20.362 31.503 1.00 0.00 ATOM 11 N GLY 19 -35.308 20.920 30.642 1.00 0.00 ATOM 12 CA GLY 19 -35.503 20.350 29.324 1.00 0.00 ATOM 13 O GLY 19 -37.267 19.656 27.875 1.00 0.00 ATOM 14 C GLY 19 -36.951 20.007 29.012 1.00 0.00 ATOM 15 N GLY 20 -37.835 20.092 30.005 1.00 0.00 ATOM 16 CA GLY 20 -39.236 19.790 29.753 1.00 0.00 ATOM 17 O GLY 20 -39.718 19.762 32.098 1.00 0.00 ATOM 18 C GLY 20 -40.051 19.395 30.973 1.00 0.00 ATOM 19 N PHE 21 -41.136 18.660 30.748 1.00 0.00 ATOM 20 CA PHE 21 -41.983 18.209 31.843 1.00 0.00 ATOM 21 CB PHE 21 -43.011 19.284 32.204 1.00 0.00 ATOM 22 CG PHE 21 -43.976 19.596 31.097 1.00 0.00 ATOM 23 CD1 PHE 21 -45.195 18.947 31.019 1.00 0.00 ATOM 24 CD2 PHE 21 -43.665 20.540 30.133 1.00 0.00 ATOM 25 CE1 PHE 21 -46.083 19.234 29.999 1.00 0.00 ATOM 26 CE2 PHE 21 -44.553 20.826 29.113 1.00 0.00 ATOM 27 CZ PHE 21 -45.758 20.178 29.045 1.00 0.00 ATOM 28 O PHE 21 -42.787 16.503 30.353 1.00 0.00 ATOM 29 C PHE 21 -42.755 16.941 31.502 1.00 0.00 ATOM 30 N TYR 22 -43.371 16.352 32.519 1.00 0.00 ATOM 31 CA TYR 22 -44.153 15.140 32.336 1.00 0.00 ATOM 32 CB TYR 22 -43.246 13.909 32.366 1.00 0.00 ATOM 33 CG TYR 22 -43.974 12.607 32.122 1.00 0.00 ATOM 34 CD1 TYR 22 -44.375 12.243 30.841 1.00 0.00 ATOM 35 CD2 TYR 22 -44.259 11.743 33.172 1.00 0.00 ATOM 36 CE1 TYR 22 -45.042 11.055 30.609 1.00 0.00 ATOM 37 CE2 TYR 22 -44.924 10.551 32.958 1.00 0.00 ATOM 38 CZ TYR 22 -45.315 10.212 31.663 1.00 0.00 ATOM 39 OH TYR 22 -45.978 9.027 31.435 1.00 0.00 ATOM 40 O TYR 22 -44.883 15.154 34.622 1.00 0.00 ATOM 41 C TYR 22 -45.193 14.994 33.440 1.00 0.00 ATOM 42 N ARG 23 -46.431 14.714 33.046 1.00 0.00 ATOM 43 CA ARG 23 -47.515 14.505 34.003 1.00 0.00 ATOM 44 CB ARG 23 -48.460 15.709 34.012 1.00 0.00 ATOM 45 CG ARG 23 -47.813 17.001 34.484 1.00 0.00 ATOM 46 CD ARG 23 -48.789 18.165 34.412 1.00 0.00 ATOM 47 NE ARG 23 -48.190 19.412 34.883 1.00 0.00 ATOM 48 CZ ARG 23 -48.816 20.584 34.893 1.00 0.00 ATOM 49 NH1 ARG 23 -48.191 21.665 35.340 1.00 0.00 ATOM 50 NH2 ARG 23 -50.066 20.672 34.460 1.00 0.00 ATOM 51 O ARG 23 -48.302 12.935 32.371 1.00 0.00 ATOM 52 C ARG 23 -48.261 13.250 33.561 1.00 0.00 ATOM 53 N SER 24 -48.847 12.529 34.509 1.00 0.00 ATOM 54 CA SER 24 -49.513 11.275 34.171 1.00 0.00 ATOM 55 CB SER 24 -48.693 10.083 34.669 1.00 0.00 ATOM 56 OG SER 24 -47.425 10.037 34.038 1.00 0.00 ATOM 57 O SER 24 -51.264 11.656 35.777 1.00 0.00 ATOM 58 C SER 24 -50.908 11.078 34.751 1.00 0.00 ATOM 59 N SER 25 -51.690 10.253 34.060 1.00 0.00 ATOM 60 CA SER 25 -53.029 9.888 34.501 1.00 0.00 ATOM 61 CB SER 25 -54.079 10.421 33.523 1.00 0.00 ATOM 62 OG SER 25 -55.383 10.016 33.904 1.00 0.00 ATOM 63 O SER 25 -52.886 7.723 33.480 1.00 0.00 ATOM 64 C SER 25 -52.999 8.370 34.525 1.00 0.00 ATOM 65 N TYR 26 -53.077 7.807 35.725 1.00 0.00 ATOM 66 CA TYR 26 -53.017 6.362 35.894 1.00 0.00 ATOM 67 CB TYR 26 -51.759 5.965 36.670 1.00 0.00 ATOM 68 CG TYR 26 -50.469 6.378 35.997 1.00 0.00 ATOM 69 CD1 TYR 26 -49.803 7.533 36.386 1.00 0.00 ATOM 70 CD2 TYR 26 -49.923 5.611 34.976 1.00 0.00 ATOM 71 CE1 TYR 26 -48.624 7.917 35.777 1.00 0.00 ATOM 72 CE2 TYR 26 -48.744 5.982 34.355 1.00 0.00 ATOM 73 CZ TYR 26 -48.095 7.145 34.765 1.00 0.00 ATOM 74 OH TYR 26 -46.921 7.528 34.158 1.00 0.00 ATOM 75 O TYR 26 -55.153 6.593 36.948 1.00 0.00 ATOM 76 C TYR 26 -54.223 5.845 36.659 1.00 0.00 ATOM 77 N ARG 27 -54.193 4.561 36.993 1.00 0.00 ATOM 78 CA ARG 27 -55.284 3.937 37.732 1.00 0.00 ATOM 79 CB ARG 27 -55.018 2.444 37.925 1.00 0.00 ATOM 80 CG ARG 27 -53.895 2.135 38.901 1.00 0.00 ATOM 81 CD ARG 27 -53.621 0.642 38.973 1.00 0.00 ATOM 82 NE ARG 27 -52.554 0.325 39.921 1.00 0.00 ATOM 83 CZ ARG 27 -52.080 -0.898 40.130 1.00 0.00 ATOM 84 NH1 ARG 27 -51.108 -1.091 41.013 1.00 0.00 ATOM 85 NH2 ARG 27 -52.578 -1.927 39.458 1.00 0.00 ATOM 86 O ARG 27 -56.459 4.450 39.773 1.00 0.00 ATOM 87 C ARG 27 -55.428 4.590 39.108 1.00 0.00 ATOM 88 N SER 28 -54.396 5.311 39.535 1.00 0.00 ATOM 89 CA SER 28 -54.434 5.986 40.828 1.00 0.00 ATOM 90 CB SER 28 -53.020 6.354 41.283 1.00 0.00 ATOM 91 OG SER 28 -52.446 7.329 40.432 1.00 0.00 ATOM 92 O SER 28 -55.690 7.832 41.740 1.00 0.00 ATOM 93 C SER 28 -55.263 7.272 40.726 1.00 0.00 ATOM 94 N GLU 29 -55.489 7.724 39.493 1.00 0.00 ATOM 95 CA GLU 29 -56.289 8.917 39.218 1.00 0.00 ATOM 96 CB GLU 29 -55.583 9.813 38.198 1.00 0.00 ATOM 97 CG GLU 29 -54.272 10.402 38.693 1.00 0.00 ATOM 98 CD GLU 29 -53.566 11.225 37.633 1.00 0.00 ATOM 99 OE1 GLU 29 -54.097 11.321 36.507 1.00 0.00 ATOM 100 OE2 GLU 29 -52.483 11.771 37.929 1.00 0.00 ATOM 101 O GLU 29 -58.692 9.071 39.037 1.00 0.00 ATOM 102 C GLU 29 -57.659 8.514 38.652 1.00 0.00 ATOM 103 N THR 30 -57.650 7.545 37.739 1.00 0.00 ATOM 104 CA THR 30 -58.864 7.054 37.076 1.00 0.00 ATOM 105 CB THR 30 -58.861 7.387 35.573 1.00 0.00 ATOM 106 CG2 THR 30 -60.190 7.001 34.940 1.00 0.00 ATOM 107 OG1 THR 30 -58.653 8.794 35.394 1.00 0.00 ATOM 108 O THR 30 -58.458 4.776 36.401 1.00 0.00 ATOM 109 C THR 30 -58.922 5.531 37.255 1.00 0.00 ATOM 110 N ALA 31 -59.512 5.070 38.373 1.00 0.00 ATOM 111 CA ALA 31 -59.678 3.671 38.787 1.00 0.00 ATOM 112 CB ALA 31 -60.629 3.577 39.970 1.00 0.00 ATOM 113 O ALA 31 -59.847 1.544 37.695 1.00 0.00 ATOM 114 C ALA 31 -60.240 2.711 37.748 1.00 0.00 ATOM 115 N PHE 32 -61.170 3.196 36.935 1.00 0.00 ATOM 116 CA PHE 32 -61.791 2.345 35.931 1.00 0.00 ATOM 117 CB PHE 32 -62.894 3.106 35.193 1.00 0.00 ATOM 118 CG PHE 32 -64.162 3.253 35.985 1.00 0.00 ATOM 119 CD1 PHE 32 -64.473 4.452 36.602 1.00 0.00 ATOM 120 CD2 PHE 32 -65.043 2.194 36.112 1.00 0.00 ATOM 121 CE1 PHE 32 -65.640 4.589 37.330 1.00 0.00 ATOM 122 CE2 PHE 32 -66.209 2.330 36.841 1.00 0.00 ATOM 123 CZ PHE 32 -66.510 3.519 37.449 1.00 0.00 ATOM 124 O PHE 32 -60.942 0.772 34.327 1.00 0.00 ATOM 125 C PHE 32 -60.786 1.860 34.885 1.00 0.00 ATOM 129 N ARG 36 -59.752 2.658 34.631 1.00 0.00 ATOM 130 CA ARG 36 -58.737 2.300 33.639 1.00 0.00 ATOM 131 CB ARG 36 -58.137 3.558 33.009 1.00 0.00 ATOM 132 CG ARG 36 -59.146 4.430 32.279 1.00 0.00 ATOM 133 CD ARG 36 -58.469 5.613 31.608 1.00 0.00 ATOM 134 NE ARG 36 -59.430 6.481 30.930 1.00 0.00 ATOM 135 CZ ARG 36 -59.104 7.595 30.284 1.00 0.00 ATOM 136 NH1 ARG 36 -60.046 8.322 29.698 1.00 0.00 ATOM 137 NH2 ARG 36 -57.837 7.981 30.225 1.00 0.00 ATOM 138 O ARG 36 -56.540 2.041 34.598 1.00 0.00 ATOM 139 C ARG 36 -57.601 1.502 34.272 1.00 0.00 ATOM 140 N GLN 37 -57.831 0.203 34.434 1.00 0.00 ATOM 141 CA GLN 37 -56.845 -0.677 35.045 1.00 0.00 ATOM 142 CB GLN 37 -57.527 -1.905 35.652 1.00 0.00 ATOM 143 CG GLN 37 -58.434 -1.593 36.831 1.00 0.00 ATOM 144 CD GLN 37 -59.121 -2.827 37.381 1.00 0.00 ATOM 145 OE1 GLN 37 -58.885 -3.941 36.911 1.00 0.00 ATOM 146 NE2 GLN 37 -59.975 -2.633 38.378 1.00 0.00 ATOM 147 O GLN 37 -54.717 -1.608 34.491 1.00 0.00 ATOM 148 C GLN 37 -55.796 -1.195 34.073 1.00 0.00 ATOM 149 N LEU 38 -56.104 -1.157 32.780 1.00 0.00 ATOM 150 CA LEU 38 -55.203 -1.693 31.768 1.00 0.00 ATOM 151 CB LEU 38 -55.982 -2.501 30.728 1.00 0.00 ATOM 152 CG LEU 38 -56.725 -3.736 31.247 1.00 0.00 ATOM 153 CD1 LEU 38 -57.534 -4.383 30.133 1.00 0.00 ATOM 154 CD2 LEU 38 -55.744 -4.766 31.784 1.00 0.00 ATOM 155 O LEU 38 -53.504 -1.102 30.197 1.00 0.00 ATOM 156 C LEU 38 -54.390 -0.698 30.950 1.00 0.00 ATOM 157 N TRP 39 -54.680 0.591 31.096 1.00 0.00 ATOM 158 CA TRP 39 -53.967 1.606 30.333 1.00 0.00 ATOM 159 CB TRP 39 -54.782 2.029 29.109 1.00 0.00 ATOM 160 CG TRP 39 -54.998 0.923 28.122 1.00 0.00 ATOM 161 CD1 TRP 39 -56.032 0.034 28.101 1.00 0.00 ATOM 162 CD2 TRP 39 -54.157 0.589 27.010 1.00 0.00 ATOM 163 CE2 TRP 39 -54.745 -0.513 26.359 1.00 0.00 ATOM 164 CE3 TRP 39 -52.966 1.115 26.500 1.00 0.00 ATOM 165 NE1 TRP 39 -55.889 -0.835 27.046 1.00 0.00 ATOM 166 CZ2 TRP 39 -54.182 -1.099 25.228 1.00 0.00 ATOM 167 CZ3 TRP 39 -52.411 0.530 25.378 1.00 0.00 ATOM 168 CH2 TRP 39 -53.016 -0.564 24.752 1.00 0.00 ATOM 169 O TRP 39 -54.541 3.266 31.976 1.00 0.00 ATOM 170 C TRP 39 -53.702 2.854 31.173 1.00 0.00 ATOM 171 N SER 40 -52.526 3.444 30.986 1.00 0.00 ATOM 172 CA SER 40 -52.142 4.657 31.704 1.00 0.00 ATOM 173 CB SER 40 -51.145 4.327 32.816 1.00 0.00 ATOM 174 OG SER 40 -49.928 3.837 32.283 1.00 0.00 ATOM 175 O SER 40 -51.068 5.129 29.619 1.00 0.00 ATOM 176 C SER 40 -51.507 5.584 30.676 1.00 0.00 ATOM 177 N SER 41 -51.436 6.873 30.981 1.00 0.00 ATOM 178 CA SER 41 -50.883 7.820 30.019 1.00 0.00 ATOM 179 CB SER 41 -52.007 8.536 29.267 1.00 0.00 ATOM 180 OG SER 41 -52.782 9.332 30.144 1.00 0.00 ATOM 181 O SER 41 -50.188 9.309 31.771 1.00 0.00 ATOM 182 C SER 41 -50.017 8.914 30.619 1.00 0.00 ATOM 183 N ILE 42 -49.079 9.397 29.810 1.00 0.00 ATOM 184 CA ILE 42 -48.185 10.467 30.207 1.00 0.00 ATOM 185 CB ILE 42 -46.743 9.959 30.392 1.00 0.00 ATOM 186 CG1 ILE 42 -46.691 8.891 31.486 1.00 0.00 ATOM 187 CG2 ILE 42 -45.822 11.102 30.791 1.00 0.00 ATOM 188 CD1 ILE 42 -45.355 8.188 31.592 1.00 0.00 ATOM 189 O ILE 42 -48.108 11.234 27.930 1.00 0.00 ATOM 190 C ILE 42 -48.193 11.541 29.121 1.00 0.00 ATOM 191 N TYR 43 -48.325 12.793 29.542 1.00 0.00 ATOM 192 CA TYR 43 -48.279 13.937 28.638 1.00 0.00 ATOM 193 CB TYR 43 -49.348 14.963 29.018 1.00 0.00 ATOM 194 CG TYR 43 -50.765 14.488 28.786 1.00 0.00 ATOM 195 CD1 TYR 43 -51.479 13.858 29.798 1.00 0.00 ATOM 196 CD2 TYR 43 -51.383 14.669 27.555 1.00 0.00 ATOM 197 CE1 TYR 43 -52.773 13.420 29.594 1.00 0.00 ATOM 198 CE2 TYR 43 -52.677 14.238 27.333 1.00 0.00 ATOM 199 CZ TYR 43 -53.371 13.609 28.367 1.00 0.00 ATOM 200 OH TYR 43 -54.661 13.175 28.162 1.00 0.00 ATOM 201 O TYR 43 -46.534 14.938 29.946 1.00 0.00 ATOM 202 C TYR 43 -46.858 14.449 28.861 1.00 0.00 ATOM 203 N PHE 44 -46.000 14.299 27.854 1.00 0.00 ATOM 204 CA PHE 44 -44.607 14.724 27.979 1.00 0.00 ATOM 205 CB PHE 44 -43.662 13.565 27.655 1.00 0.00 ATOM 206 CG PHE 44 -42.209 13.941 27.684 1.00 0.00 ATOM 207 CD1 PHE 44 -41.527 14.036 28.885 1.00 0.00 ATOM 208 CD2 PHE 44 -41.524 14.202 26.510 1.00 0.00 ATOM 209 CE1 PHE 44 -40.190 14.382 28.912 1.00 0.00 ATOM 210 CE2 PHE 44 -40.185 14.549 26.537 1.00 0.00 ATOM 211 CZ PHE 44 -39.518 14.640 27.732 1.00 0.00 ATOM 212 O PHE 44 -44.721 15.920 25.898 1.00 0.00 ATOM 213 C PHE 44 -44.256 15.868 27.040 1.00 0.00 ATOM 214 N LEU 45 -43.419 16.776 27.539 1.00 0.00 ATOM 215 CA LEU 45 -42.982 17.950 26.791 1.00 0.00 ATOM 216 CB LEU 45 -43.546 19.225 27.419 1.00 0.00 ATOM 217 CG LEU 45 -43.117 20.546 26.775 1.00 0.00 ATOM 218 CD1 LEU 45 -43.686 20.668 25.369 1.00 0.00 ATOM 219 CD2 LEU 45 -43.611 21.728 27.593 1.00 0.00 ATOM 220 O LEU 45 -40.833 17.815 27.862 1.00 0.00 ATOM 221 C LEU 45 -41.454 18.009 26.814 1.00 0.00 ATOM 222 N LEU 46 -40.850 18.271 25.660 1.00 0.00 ATOM 223 CA LEU 46 -39.397 18.380 25.570 1.00 0.00 ATOM 224 CB LEU 46 -38.814 17.177 24.825 1.00 0.00 ATOM 225 CG LEU 46 -39.021 15.810 25.479 1.00 0.00 ATOM 226 CD1 LEU 46 -38.560 14.696 24.553 1.00 0.00 ATOM 227 CD2 LEU 46 -38.230 15.709 26.775 1.00 0.00 ATOM 228 O LEU 46 -39.635 19.972 23.799 1.00 0.00 ATOM 229 C LEU 46 -39.030 19.652 24.819 1.00 0.00 ATOM 230 N ARG 47 -38.049 20.380 25.341 1.00 0.00 ATOM 231 CA ARG 47 -37.579 21.604 24.706 1.00 0.00 ATOM 232 CB ARG 47 -36.807 22.465 25.709 1.00 0.00 ATOM 233 CG ARG 47 -37.660 23.020 26.837 1.00 0.00 ATOM 234 CD ARG 47 -36.854 23.940 27.738 1.00 0.00 ATOM 235 NE ARG 47 -37.669 24.514 28.806 1.00 0.00 ATOM 236 CZ ARG 47 -37.219 25.383 29.706 1.00 0.00 ATOM 237 NH1 ARG 47 -38.034 25.850 30.641 1.00 0.00 ATOM 238 NH2 ARG 47 -35.954 25.778 29.670 1.00 0.00 ATOM 239 O ARG 47 -36.231 20.052 23.480 1.00 0.00 ATOM 240 C ARG 47 -36.665 21.197 23.554 1.00 0.00 ATOM 241 N THR 48 -36.367 22.126 22.635 1.00 0.00 ATOM 242 CA THR 48 -35.496 21.794 21.504 1.00 0.00 ATOM 243 CB THR 48 -35.108 23.050 20.701 1.00 0.00 ATOM 244 CG2 THR 48 -34.248 22.674 19.505 1.00 0.00 ATOM 245 OG1 THR 48 -36.294 23.704 20.233 1.00 0.00 ATOM 246 O THR 48 -33.450 21.658 22.759 1.00 0.00 ATOM 247 C THR 48 -34.184 21.130 21.924 1.00 0.00 ATOM 248 N GLY 49 -33.908 19.964 21.348 1.00 0.00 ATOM 249 CA GLY 49 -32.683 19.244 21.658 1.00 0.00 ATOM 250 O GLY 49 -31.855 17.571 23.144 1.00 0.00 ATOM 251 C GLY 49 -32.709 18.436 22.944 1.00 0.00 ATOM 252 N GLU 50 -33.683 18.702 23.812 1.00 0.00 ATOM 253 CA GLU 50 -33.781 17.995 25.088 1.00 0.00 ATOM 254 CB GLU 50 -34.975 18.509 25.895 1.00 0.00 ATOM 255 CG GLU 50 -35.092 17.903 27.284 1.00 0.00 ATOM 256 CD GLU 50 -34.072 18.468 28.253 1.00 0.00 ATOM 257 OE1 GLU 50 -33.385 19.445 27.891 1.00 0.00 ATOM 258 OE2 GLU 50 -33.961 17.933 29.376 1.00 0.00 ATOM 259 O GLU 50 -34.646 16.047 23.973 1.00 0.00 ATOM 260 C GLU 50 -33.964 16.497 24.898 1.00 0.00 ATOM 261 N VAL 51 -33.370 15.730 25.805 1.00 0.00 ATOM 262 CA VAL 51 -33.415 14.282 25.732 1.00 0.00 ATOM 263 CB VAL 51 -32.001 13.671 25.731 1.00 0.00 ATOM 264 CG1 VAL 51 -32.076 12.153 25.698 1.00 0.00 ATOM 265 CG2 VAL 51 -31.219 14.141 24.514 1.00 0.00 ATOM 266 O VAL 51 -33.952 13.932 28.040 1.00 0.00 ATOM 267 C VAL 51 -34.148 13.592 26.874 1.00 0.00 ATOM 268 N SER 52 -35.004 12.637 26.523 1.00 0.00 ATOM 269 CA SER 52 -35.679 11.813 27.517 1.00 0.00 ATOM 270 CB SER 52 -37.070 11.411 27.023 1.00 0.00 ATOM 271 OG SER 52 -37.699 10.527 27.935 1.00 0.00 ATOM 272 O SER 52 -34.553 9.876 26.646 1.00 0.00 ATOM 273 C SER 52 -34.688 10.650 27.594 1.00 0.00 ATOM 274 N HIS 53 -33.983 10.559 28.715 1.00 0.00 ATOM 275 CA HIS 53 -32.953 9.550 28.934 1.00 0.00 ATOM 276 CB HIS 53 -32.623 9.436 30.424 1.00 0.00 ATOM 277 CG HIS 53 -33.764 8.948 31.260 1.00 0.00 ATOM 278 CD2 HIS 53 -34.826 9.575 32.036 1.00 0.00 ATOM 279 ND1 HIS 53 -34.026 7.610 31.454 1.00 0.00 ATOM 280 CE1 HIS 53 -35.106 7.485 32.245 1.00 0.00 ATOM 281 NE2 HIS 53 -35.592 8.660 32.596 1.00 0.00 ATOM 282 O HIS 53 -34.322 7.591 28.728 1.00 0.00 ATOM 283 C HIS 53 -33.237 8.117 28.505 1.00 0.00 ATOM 284 N PHE 54 -32.226 7.494 27.904 1.00 0.00 ATOM 285 CA PHE 54 -32.296 6.101 27.475 1.00 0.00 ATOM 286 CB PHE 54 -30.905 5.579 27.112 1.00 0.00 ATOM 287 CG PHE 54 -30.306 6.242 25.905 1.00 0.00 ATOM 288 CD1 PHE 54 -29.263 7.141 26.035 1.00 0.00 ATOM 289 CD2 PHE 54 -30.787 5.966 24.635 1.00 0.00 ATOM 290 CE1 PHE 54 -28.712 7.750 24.924 1.00 0.00 ATOM 291 CE2 PHE 54 -30.237 6.576 23.524 1.00 0.00 ATOM 292 CZ PHE 54 -29.204 7.464 23.664 1.00 0.00 ATOM 293 O PHE 54 -32.363 5.360 29.752 1.00 0.00 ATOM 294 C PHE 54 -32.868 5.285 28.633 1.00 0.00 ATOM 295 N HIS 55 -33.903 4.499 28.352 1.00 0.00 ATOM 296 CA HIS 55 -34.563 3.721 29.392 1.00 0.00 ATOM 297 CB HIS 55 -35.476 4.616 30.232 1.00 0.00 ATOM 298 CG HIS 55 -36.606 5.223 29.459 1.00 0.00 ATOM 299 CD2 HIS 55 -38.006 4.894 29.239 1.00 0.00 ATOM 300 ND1 HIS 55 -36.466 6.373 28.716 1.00 0.00 ATOM 301 CE1 HIS 55 -37.644 6.669 28.139 1.00 0.00 ATOM 302 NE2 HIS 55 -38.573 5.785 28.450 1.00 0.00 ATOM 303 O HIS 55 -35.526 2.465 27.581 1.00 0.00 ATOM 304 C HIS 55 -35.416 2.608 28.799 1.00 0.00 ATOM 305 N ARG 56 -36.035 1.829 29.679 1.00 0.00 ATOM 306 CA ARG 56 -36.926 0.757 29.262 1.00 0.00 ATOM 307 CB ARG 56 -36.135 -0.525 28.994 1.00 0.00 ATOM 308 CG ARG 56 -35.454 -1.101 30.224 1.00 0.00 ATOM 309 CD ARG 56 -34.675 -2.361 29.884 1.00 0.00 ATOM 310 NE ARG 56 -34.011 -2.927 31.056 1.00 0.00 ATOM 311 CZ ARG 56 -34.578 -3.790 31.892 1.00 0.00 ATOM 312 NH1 ARG 56 -33.897 -4.251 32.933 1.00 0.00 ATOM 313 NH2 ARG 56 -35.826 -4.189 31.688 1.00 0.00 ATOM 314 O ARG 56 -37.745 1.058 31.491 1.00 0.00 ATOM 315 C ARG 56 -37.920 0.534 30.395 1.00 0.00 ATOM 316 N LEU 57 -38.991 -0.196 30.116 1.00 0.00 ATOM 317 CA LEU 57 -39.970 -0.503 31.149 1.00 0.00 ATOM 318 CB LEU 57 -41.021 0.604 31.236 1.00 0.00 ATOM 319 CG LEU 57 -42.050 0.654 30.105 1.00 0.00 ATOM 320 CD1 LEU 57 -43.182 1.610 30.449 1.00 0.00 ATOM 321 CD2 LEU 57 -41.405 1.128 28.812 1.00 0.00 ATOM 322 O LEU 57 -40.519 -2.357 29.750 1.00 0.00 ATOM 323 C LEU 57 -40.671 -1.806 30.839 1.00 0.00 ATOM 324 N THR 58 -41.425 -2.306 31.809 1.00 0.00 ATOM 325 CA THR 58 -42.140 -3.558 31.628 1.00 0.00 ATOM 326 CB THR 58 -42.747 -4.058 32.953 1.00 0.00 ATOM 327 CG2 THR 58 -41.655 -4.293 33.983 1.00 0.00 ATOM 328 OG1 THR 58 -43.663 -3.080 33.461 1.00 0.00 ATOM 329 O THR 58 -43.606 -4.357 29.906 1.00 0.00 ATOM 330 C THR 58 -43.288 -3.418 30.633 1.00 0.00 ATOM 331 N ALA 59 -43.893 -2.236 30.591 1.00 0.00 ATOM 332 CA ALA 59 -45.026 -1.994 29.712 1.00 0.00 ATOM 333 CB ALA 59 -45.870 -0.845 30.240 1.00 0.00 ATOM 334 O ALA 59 -43.564 -1.100 28.029 1.00 0.00 ATOM 335 C ALA 59 -44.649 -1.626 28.281 1.00 0.00 ATOM 339 N GLU 61 -45.545 -1.927 27.345 1.00 0.00 ATOM 340 CA GLU 61 -45.330 -1.550 25.952 1.00 0.00 ATOM 341 CB GLU 61 -46.205 -2.398 25.027 1.00 0.00 ATOM 342 CG GLU 61 -45.863 -3.880 25.037 1.00 0.00 ATOM 343 CD GLU 61 -46.721 -4.682 24.078 1.00 0.00 ATOM 344 OE1 GLU 61 -47.616 -4.087 23.441 1.00 0.00 ATOM 345 OE2 GLU 61 -46.496 -5.905 23.962 1.00 0.00 ATOM 346 O GLU 61 -46.573 0.345 26.740 1.00 0.00 ATOM 347 C GLU 61 -45.731 -0.077 25.941 1.00 0.00 ATOM 348 N MET 62 -45.135 0.700 25.044 1.00 0.00 ATOM 349 CA MET 62 -45.424 2.129 24.966 1.00 0.00 ATOM 350 CB MET 62 -44.182 2.948 25.326 1.00 0.00 ATOM 351 CG MET 62 -43.689 2.734 26.748 1.00 0.00 ATOM 352 SD MET 62 -42.223 3.712 27.130 1.00 0.00 ATOM 353 CE MET 62 -42.904 5.367 27.107 1.00 0.00 ATOM 354 O MET 62 -45.227 2.230 22.580 1.00 0.00 ATOM 355 C MET 62 -45.864 2.566 23.573 1.00 0.00 ATOM 356 N TRP 63 -46.963 3.313 23.524 1.00 0.00 ATOM 357 CA TRP 63 -47.522 3.831 22.276 1.00 0.00 ATOM 358 CB TRP 63 -48.945 3.311 22.070 1.00 0.00 ATOM 359 CG TRP 63 -49.017 1.830 21.852 1.00 0.00 ATOM 360 CD1 TRP 63 -47.968 0.961 21.776 1.00 0.00 ATOM 361 CD2 TRP 63 -50.204 1.045 21.681 1.00 0.00 ATOM 362 CE2 TRP 63 -49.796 -0.293 21.506 1.00 0.00 ATOM 363 CE3 TRP 63 -51.570 1.339 21.657 1.00 0.00 ATOM 364 NE1 TRP 63 -48.425 -0.319 21.570 1.00 0.00 ATOM 365 CZ2 TRP 63 -50.704 -1.332 21.311 1.00 0.00 ATOM 366 CZ3 TRP 63 -52.468 0.307 21.463 1.00 0.00 ATOM 367 CH2 TRP 63 -52.034 -1.013 21.293 1.00 0.00 ATOM 368 O TRP 63 -47.742 5.873 23.496 1.00 0.00 ATOM 369 C TRP 63 -47.521 5.348 22.404 1.00 0.00 ATOM 370 N TYR 64 -47.286 6.056 21.304 1.00 0.00 ATOM 371 CA TYR 64 -47.276 7.513 21.368 1.00 0.00 ATOM 372 CB TYR 64 -45.846 8.031 21.532 1.00 0.00 ATOM 373 CG TYR 64 -45.152 7.535 22.781 1.00 0.00 ATOM 374 CD1 TYR 64 -44.408 6.362 22.764 1.00 0.00 ATOM 375 CD2 TYR 64 -45.244 8.242 23.973 1.00 0.00 ATOM 376 CE1 TYR 64 -43.771 5.902 23.900 1.00 0.00 ATOM 377 CE2 TYR 64 -44.614 7.795 25.120 1.00 0.00 ATOM 378 CZ TYR 64 -43.874 6.615 25.075 1.00 0.00 ATOM 379 OH TYR 64 -43.241 6.158 26.206 1.00 0.00 ATOM 380 O TYR 64 -47.805 7.687 19.030 1.00 0.00 ATOM 381 C TYR 64 -47.842 8.213 20.140 1.00 0.00 ATOM 382 N PHE 65 -48.370 9.411 20.365 1.00 0.00 ATOM 383 CA PHE 65 -48.919 10.245 19.301 1.00 0.00 ATOM 384 CB PHE 65 -50.437 10.370 19.450 1.00 0.00 ATOM 385 CG PHE 65 -51.091 11.158 18.351 1.00 0.00 ATOM 386 CD1 PHE 65 -51.269 10.605 17.094 1.00 0.00 ATOM 387 CD2 PHE 65 -51.527 12.452 18.574 1.00 0.00 ATOM 388 CE1 PHE 65 -51.870 11.332 16.084 1.00 0.00 ATOM 389 CE2 PHE 65 -52.128 13.179 17.563 1.00 0.00 ATOM 390 CZ PHE 65 -52.301 12.624 16.322 1.00 0.00 ATOM 391 O PHE 65 -48.322 12.235 20.502 1.00 0.00 ATOM 392 C PHE 65 -48.254 11.615 19.439 1.00 0.00 ATOM 393 N HIS 66 -47.599 12.081 18.377 1.00 0.00 ATOM 394 CA HIS 66 -46.930 13.380 18.404 1.00 0.00 ATOM 395 CB HIS 66 -45.834 13.440 17.338 1.00 0.00 ATOM 396 CG HIS 66 -44.768 12.405 17.508 1.00 0.00 ATOM 397 CD2 HIS 66 -44.460 11.120 16.896 1.00 0.00 ATOM 398 ND1 HIS 66 -43.746 12.533 18.423 1.00 0.00 ATOM 399 CE1 HIS 66 -42.949 11.452 18.344 1.00 0.00 ATOM 400 NE2 HIS 66 -43.372 10.600 17.431 1.00 0.00 ATOM 401 O HIS 66 -48.462 14.596 17.011 1.00 0.00 ATOM 402 C HIS 66 -47.958 14.473 18.129 1.00 0.00 ATOM 403 N ALA 67 -48.271 15.264 19.148 1.00 0.00 ATOM 404 CA ALA 67 -49.258 16.328 18.996 1.00 0.00 ATOM 405 CB ALA 67 -49.890 16.661 20.338 1.00 0.00 ATOM 406 O ALA 67 -49.174 18.249 17.551 1.00 0.00 ATOM 407 C ALA 67 -48.623 17.594 18.445 1.00 0.00 ATOM 408 N GLY 68 -47.460 17.935 18.987 1.00 0.00 ATOM 409 CA GLY 68 -46.739 19.132 18.579 1.00 0.00 ATOM 410 O GLY 68 -44.632 18.103 19.078 1.00 0.00 ATOM 411 C GLY 68 -45.256 18.878 18.357 1.00 0.00 ATOM 412 N GLN 69 -44.695 19.552 17.359 1.00 0.00 ATOM 413 CA GLN 69 -43.276 19.431 17.086 1.00 0.00 ATOM 414 CB GLN 69 -42.470 19.528 18.382 1.00 0.00 ATOM 415 CG GLN 69 -42.504 20.901 19.033 1.00 0.00 ATOM 416 CD GLN 69 -43.822 21.182 19.730 1.00 0.00 ATOM 417 OE1 GLN 69 -44.407 20.296 20.352 1.00 0.00 ATOM 418 NE2 GLN 69 -44.293 22.420 19.625 1.00 0.00 ATOM 419 O GLN 69 -43.480 17.563 15.594 1.00 0.00 ATOM 420 C GLN 69 -42.798 18.154 16.431 1.00 0.00 ATOM 421 N SER 70 -41.596 17.738 16.810 1.00 0.00 ATOM 422 CA SER 70 -41.003 16.534 16.258 1.00 0.00 ATOM 423 CB SER 70 -40.410 16.814 14.875 1.00 0.00 ATOM 424 OG SER 70 -39.303 17.694 14.962 1.00 0.00 ATOM 425 O SER 70 -39.416 16.789 18.036 1.00 0.00 ATOM 426 C SER 70 -39.898 16.047 17.178 1.00 0.00 ATOM 427 N LEU 71 -39.495 14.800 16.999 1.00 0.00 ATOM 428 CA LEU 71 -38.448 14.241 17.838 1.00 0.00 ATOM 429 CB LEU 71 -39.021 13.794 19.184 1.00 0.00 ATOM 430 CG LEU 71 -40.129 12.740 19.133 1.00 0.00 ATOM 431 CD1 LEU 71 -39.538 11.340 19.080 1.00 0.00 ATOM 432 CD2 LEU 71 -41.019 12.834 20.363 1.00 0.00 ATOM 433 O LEU 71 -38.385 12.417 16.285 1.00 0.00 ATOM 434 C LEU 71 -37.805 13.038 17.177 1.00 0.00 ATOM 435 N THR 72 -36.592 12.727 17.611 1.00 0.00 ATOM 436 CA THR 72 -35.886 11.571 17.091 1.00 0.00 ATOM 437 CB THR 72 -34.417 11.906 16.770 1.00 0.00 ATOM 438 CG2 THR 72 -33.692 10.674 16.253 1.00 0.00 ATOM 439 OG1 THR 72 -34.364 12.931 15.770 1.00 0.00 ATOM 440 O THR 72 -35.726 10.787 19.341 1.00 0.00 ATOM 441 C THR 72 -35.952 10.503 18.167 1.00 0.00 ATOM 442 N ILE 73 -36.276 9.280 17.768 1.00 0.00 ATOM 443 CA ILE 73 -36.348 8.187 18.721 1.00 0.00 ATOM 444 CB ILE 73 -37.749 7.548 18.743 1.00 0.00 ATOM 445 CG1 ILE 73 -37.804 6.416 19.770 1.00 0.00 ATOM 446 CG2 ILE 73 -38.095 6.977 17.377 1.00 0.00 ATOM 447 CD1 ILE 73 -39.206 5.950 20.093 1.00 0.00 ATOM 448 O ILE 73 -34.964 6.976 17.186 1.00 0.00 ATOM 449 C ILE 73 -35.340 7.112 18.351 1.00 0.00 ATOM 450 N TYR 74 -34.880 6.371 19.351 1.00 0.00 ATOM 451 CA TYR 74 -33.969 5.261 19.101 1.00 0.00 ATOM 452 CB TYR 74 -32.563 5.597 19.603 1.00 0.00 ATOM 453 CG TYR 74 -31.932 6.782 18.907 1.00 0.00 ATOM 454 CD1 TYR 74 -32.117 8.072 19.391 1.00 0.00 ATOM 455 CD2 TYR 74 -31.154 6.609 17.770 1.00 0.00 ATOM 456 CE1 TYR 74 -31.543 9.160 18.763 1.00 0.00 ATOM 457 CE2 TYR 74 -30.574 7.686 17.128 1.00 0.00 ATOM 458 CZ TYR 74 -30.775 8.969 17.636 1.00 0.00 ATOM 459 OH TYR 74 -30.203 10.053 17.008 1.00 0.00 ATOM 460 O TYR 74 -35.229 4.223 20.850 1.00 0.00 ATOM 461 C TYR 74 -34.528 4.067 19.851 1.00 0.00 ATOM 462 N MET 75 -34.230 2.879 19.350 1.00 0.00 ATOM 463 CA MET 75 -34.655 1.650 19.994 1.00 0.00 ATOM 464 CB MET 75 -36.125 1.364 19.679 1.00 0.00 ATOM 465 CG MET 75 -36.689 0.152 20.405 1.00 0.00 ATOM 466 SD MET 75 -38.443 -0.102 20.076 1.00 0.00 ATOM 467 CE MET 75 -38.386 -0.745 18.406 1.00 0.00 ATOM 468 O MET 75 -33.419 0.544 18.269 1.00 0.00 ATOM 469 C MET 75 -33.772 0.542 19.446 1.00 0.00 ATOM 470 N ILE 76 -33.372 -0.370 20.323 1.00 0.00 ATOM 471 CA ILE 76 -32.544 -1.500 19.931 1.00 0.00 ATOM 472 CB ILE 76 -31.151 -1.434 20.583 1.00 0.00 ATOM 473 CG1 ILE 76 -30.421 -0.161 20.152 1.00 0.00 ATOM 474 CG2 ILE 76 -30.312 -2.634 20.173 1.00 0.00 ATOM 475 CD1 ILE 76 -29.133 0.090 20.906 1.00 0.00 ATOM 476 O ILE 76 -33.785 -2.738 21.552 1.00 0.00 ATOM 477 C ILE 76 -33.316 -2.721 20.413 1.00 0.00 ATOM 478 N SER 77 -33.477 -3.728 19.559 1.00 0.00 ATOM 479 CA SER 77 -34.229 -4.907 19.977 1.00 0.00 ATOM 480 CB SER 77 -34.886 -5.579 18.768 1.00 0.00 ATOM 481 OG SER 77 -33.915 -6.164 17.921 1.00 0.00 ATOM 482 O SER 77 -32.175 -5.790 20.869 1.00 0.00 ATOM 483 C SER 77 -33.377 -5.974 20.660 1.00 0.00 ATOM 484 N PRO 78 -34.012 -7.088 21.012 1.00 0.00 ATOM 485 CA PRO 78 -33.330 -8.179 21.703 1.00 0.00 ATOM 486 CB PRO 78 -34.462 -9.126 22.107 1.00 0.00 ATOM 487 CG PRO 78 -35.523 -8.900 21.083 1.00 0.00 ATOM 488 CD PRO 78 -35.454 -7.440 20.729 1.00 0.00 ATOM 489 O PRO 78 -31.617 -9.813 21.312 1.00 0.00 ATOM 490 C PRO 78 -32.309 -8.914 20.835 1.00 0.00 ATOM 491 N GLU 79 -32.214 -8.538 19.565 1.00 0.00 ATOM 492 CA GLU 79 -31.256 -9.174 18.668 1.00 0.00 ATOM 493 CB GLU 79 -31.939 -9.598 17.366 1.00 0.00 ATOM 494 CG GLU 79 -33.022 -10.648 17.546 1.00 0.00 ATOM 495 CD GLU 79 -33.669 -11.049 16.236 1.00 0.00 ATOM 496 OE1 GLU 79 -33.233 -10.545 15.179 1.00 0.00 ATOM 497 OE2 GLU 79 -34.613 -11.867 16.263 1.00 0.00 ATOM 498 O GLU 79 -29.279 -8.500 17.483 1.00 0.00 ATOM 499 C GLU 79 -30.124 -8.212 18.328 1.00 0.00 ATOM 500 N GLY 80 -30.113 -7.068 19.004 1.00 0.00 ATOM 501 CA GLY 80 -29.073 -6.082 18.775 1.00 0.00 ATOM 502 O GLY 80 -28.297 -4.629 17.045 1.00 0.00 ATOM 503 C GLY 80 -29.255 -5.234 17.527 1.00 0.00 ATOM 504 N GLU 81 -30.473 -5.181 16.999 1.00 0.00 ATOM 505 CA GLU 81 -30.733 -4.385 15.803 1.00 0.00 ATOM 506 CB GLU 81 -31.761 -5.082 14.909 1.00 0.00 ATOM 507 CG GLU 81 -31.273 -6.385 14.300 1.00 0.00 ATOM 508 CD GLU 81 -32.334 -7.071 13.463 1.00 0.00 ATOM 509 OE1 GLU 81 -33.461 -6.539 13.379 1.00 0.00 ATOM 510 OE2 GLU 81 -32.038 -8.140 12.889 1.00 0.00 ATOM 511 O GLU 81 -32.132 -2.945 17.105 1.00 0.00 ATOM 512 C GLU 81 -31.273 -3.028 16.229 1.00 0.00 ATOM 513 N LEU 82 -30.759 -1.964 15.622 1.00 0.00 ATOM 514 CA LEU 82 -31.199 -0.627 15.984 1.00 0.00 ATOM 515 CB LEU 82 -29.999 0.306 16.150 1.00 0.00 ATOM 516 CG LEU 82 -29.276 0.249 17.497 1.00 0.00 ATOM 517 CD1 LEU 82 -28.789 -1.163 17.785 1.00 0.00 ATOM 518 CD2 LEU 82 -28.072 1.178 17.502 1.00 0.00 ATOM 519 O LEU 82 -32.019 -0.235 13.756 1.00 0.00 ATOM 520 C LEU 82 -32.113 0.019 14.958 1.00 0.00 ATOM 521 N THR 83 -33.001 0.863 15.465 1.00 0.00 ATOM 522 CA THR 83 -33.944 1.599 14.643 1.00 0.00 ATOM 523 CB THR 83 -35.364 1.017 14.755 1.00 0.00 ATOM 524 CG2 THR 83 -36.328 1.788 13.866 1.00 0.00 ATOM 525 OG1 THR 83 -35.355 -0.357 14.346 1.00 0.00 ATOM 526 O THR 83 -34.132 3.267 16.350 1.00 0.00 ATOM 527 C THR 83 -33.913 3.029 15.164 1.00 0.00 ATOM 528 N THR 84 -33.619 3.972 14.279 1.00 0.00 ATOM 529 CA THR 84 -33.567 5.383 14.638 1.00 0.00 ATOM 530 CB THR 84 -32.119 5.907 14.653 1.00 0.00 ATOM 531 CG2 THR 84 -32.089 7.377 15.044 1.00 0.00 ATOM 532 OG1 THR 84 -31.346 5.160 15.602 1.00 0.00 ATOM 533 O THR 84 -34.201 5.883 12.389 1.00 0.00 ATOM 534 C THR 84 -34.383 6.112 13.582 1.00 0.00 ATOM 535 N ALA 85 -35.291 6.980 14.016 1.00 0.00 ATOM 536 CA ALA 85 -36.139 7.686 13.066 1.00 0.00 ATOM 537 CB ALA 85 -37.313 6.812 12.652 1.00 0.00 ATOM 538 O ALA 85 -36.751 9.147 14.875 1.00 0.00 ATOM 539 C ALA 85 -36.707 8.974 13.653 1.00 0.00 ATOM 540 N GLN 86 -37.123 9.883 12.776 1.00 0.00 ATOM 541 CA GLN 86 -37.712 11.143 13.206 1.00 0.00 ATOM 542 CB GLN 86 -37.246 12.289 12.306 1.00 0.00 ATOM 543 CG GLN 86 -35.743 12.515 12.318 1.00 0.00 ATOM 544 CD GLN 86 -35.319 13.661 11.419 1.00 0.00 ATOM 545 OE1 GLN 86 -36.157 14.404 10.909 1.00 0.00 ATOM 546 NE2 GLN 86 -34.013 13.807 11.224 1.00 0.00 ATOM 547 O GLN 86 -39.780 10.467 12.184 1.00 0.00 ATOM 548 C GLN 86 -39.229 11.033 13.133 1.00 0.00 ATOM 549 N LEU 87 -39.891 11.592 14.140 1.00 0.00 ATOM 550 CA LEU 87 -41.342 11.555 14.246 1.00 0.00 ATOM 551 CB LEU 87 -41.767 10.846 15.534 1.00 0.00 ATOM 552 CG LEU 87 -41.326 9.389 15.683 1.00 0.00 ATOM 553 CD1 LEU 87 -41.698 8.852 17.057 1.00 0.00 ATOM 554 CD2 LEU 87 -41.995 8.514 14.634 1.00 0.00 ATOM 555 O LEU 87 -41.502 13.797 15.073 1.00 0.00 ATOM 556 C LEU 87 -41.911 12.968 14.264 1.00 0.00 ATOM 557 N GLY 88 -42.854 13.237 13.367 1.00 0.00 ATOM 558 CA GLY 88 -43.453 14.560 13.309 1.00 0.00 ATOM 559 O GLY 88 -45.429 13.530 14.185 1.00 0.00 ATOM 560 C GLY 88 -44.895 14.566 13.773 1.00 0.00 ATOM 561 N LEU 89 -45.531 15.732 13.708 1.00 0.00 ATOM 562 CA LEU 89 -46.921 15.859 14.131 1.00 0.00 ATOM 563 CB LEU 89 -47.427 17.282 13.887 1.00 0.00 ATOM 564 CG LEU 89 -48.849 17.587 14.364 1.00 0.00 ATOM 565 CD1 LEU 89 -48.940 17.501 15.879 1.00 0.00 ATOM 566 CD2 LEU 89 -49.270 18.986 13.941 1.00 0.00 ATOM 567 O LEU 89 -47.772 14.848 12.129 1.00 0.00 ATOM 568 C LEU 89 -47.814 14.898 13.357 1.00 0.00 ATOM 572 N ARG 96 -48.614 14.127 14.088 1.00 0.00 ATOM 573 CA ARG 96 -49.505 13.173 13.458 1.00 0.00 ATOM 574 CB ARG 96 -49.848 13.619 12.035 1.00 0.00 ATOM 575 CG ARG 96 -50.670 14.895 11.966 1.00 0.00 ATOM 576 CD ARG 96 -50.948 15.296 10.527 1.00 0.00 ATOM 577 NE ARG 96 -49.746 15.783 9.852 1.00 0.00 ATOM 578 CZ ARG 96 -49.398 17.063 9.779 1.00 0.00 ATOM 579 NH1 ARG 96 -48.287 17.413 9.146 1.00 0.00 ATOM 580 NH2 ARG 96 -50.162 17.990 10.339 1.00 0.00 ATOM 581 O ARG 96 -49.607 10.838 12.969 1.00 0.00 ATOM 582 C ARG 96 -48.912 11.779 13.356 1.00 0.00 ATOM 583 N PRO 97 -47.632 11.642 13.691 1.00 0.00 ATOM 584 CA PRO 97 -46.965 10.344 13.634 1.00 0.00 ATOM 585 CB PRO 97 -45.518 10.686 13.278 1.00 0.00 ATOM 586 CG PRO 97 -45.267 11.995 13.949 1.00 0.00 ATOM 587 CD PRO 97 -46.547 12.776 13.832 1.00 0.00 ATOM 588 O PRO 97 -47.290 10.224 16.010 1.00 0.00 ATOM 589 C PRO 97 -47.049 9.615 14.969 1.00 0.00 ATOM 590 N GLN 98 -46.817 8.307 14.921 1.00 0.00 ATOM 591 CA GLN 98 -46.865 7.457 16.104 1.00 0.00 ATOM 592 CB GLN 98 -48.059 6.504 16.031 1.00 0.00 ATOM 593 CG GLN 98 -49.409 7.202 16.027 1.00 0.00 ATOM 594 CD GLN 98 -50.565 6.233 15.869 1.00 0.00 ATOM 595 OE1 GLN 98 -50.361 5.033 15.680 1.00 0.00 ATOM 596 NE2 GLN 98 -51.786 6.750 15.949 1.00 0.00 ATOM 597 O GLN 98 -44.787 6.554 15.309 1.00 0.00 ATOM 598 C GLN 98 -45.603 6.625 16.225 1.00 0.00 ATOM 599 N PHE 99 -45.453 6.000 17.387 1.00 0.00 ATOM 600 CA PHE 99 -44.374 5.058 17.614 1.00 0.00 ATOM 601 CB PHE 99 -43.148 5.776 18.182 1.00 0.00 ATOM 602 CG PHE 99 -43.378 6.391 19.532 1.00 0.00 ATOM 603 CD1 PHE 99 -43.082 5.691 20.688 1.00 0.00 ATOM 604 CD2 PHE 99 -43.890 7.672 19.647 1.00 0.00 ATOM 605 CE1 PHE 99 -43.293 6.258 21.931 1.00 0.00 ATOM 606 CE2 PHE 99 -44.102 8.239 20.888 1.00 0.00 ATOM 607 CZ PHE 99 -43.805 7.538 22.028 1.00 0.00 ATOM 608 O PHE 99 -45.904 4.327 19.304 1.00 0.00 ATOM 609 C PHE 99 -44.928 4.053 18.605 1.00 0.00 ATOM 610 N LEU 100 -44.347 2.863 18.608 1.00 0.00 ATOM 611 CA LEU 100 -44.763 1.811 19.516 1.00 0.00 ATOM 612 CB LEU 100 -45.782 0.890 18.841 1.00 0.00 ATOM 613 CG LEU 100 -46.551 -0.060 19.760 1.00 0.00 ATOM 614 CD1 LEU 100 -47.702 -0.716 19.013 1.00 0.00 ATOM 615 CD2 LEU 100 -45.637 -1.157 20.284 1.00 0.00 ATOM 616 O LEU 100 -42.795 0.567 18.985 1.00 0.00 ATOM 617 C LEU 100 -43.503 1.056 19.867 1.00 0.00 ATOM 618 N VAL 101 -43.226 0.973 21.159 1.00 0.00 ATOM 619 CA VAL 101 -42.045 0.283 21.643 1.00 0.00 ATOM 620 CB VAL 101 -41.188 1.193 22.543 1.00 0.00 ATOM 621 CG1 VAL 101 -39.972 0.437 23.061 1.00 0.00 ATOM 622 CG2 VAL 101 -40.704 2.407 21.766 1.00 0.00 ATOM 623 O VAL 101 -43.135 -0.775 23.486 1.00 0.00 ATOM 624 C VAL 101 -42.504 -0.925 22.444 1.00 0.00 ATOM 625 N PRO 102 -42.207 -2.137 21.953 1.00 0.00 ATOM 626 CA PRO 102 -42.600 -3.366 22.649 1.00 0.00 ATOM 627 CB PRO 102 -41.988 -4.482 21.801 1.00 0.00 ATOM 628 CG PRO 102 -41.826 -3.879 20.447 1.00 0.00 ATOM 629 CD PRO 102 -41.460 -2.438 20.674 1.00 0.00 ATOM 630 O PRO 102 -41.018 -2.762 24.352 1.00 0.00 ATOM 631 C PRO 102 -42.052 -3.371 24.068 1.00 0.00 ATOM 632 N LYS 103 -42.744 -4.068 24.960 1.00 0.00 ATOM 633 CA LYS 103 -42.322 -4.145 26.348 1.00 0.00 ATOM 634 CB LYS 103 -43.162 -5.175 27.107 1.00 0.00 ATOM 635 CG LYS 103 -42.907 -6.613 26.688 1.00 0.00 ATOM 636 CD LYS 103 -43.775 -7.580 27.476 1.00 0.00 ATOM 637 CE LYS 103 -43.457 -9.023 27.120 1.00 0.00 ATOM 638 NZ LYS 103 -44.280 -9.984 27.907 1.00 0.00 ATOM 639 O LYS 103 -40.374 -5.434 25.770 1.00 0.00 ATOM 640 C LYS 103 -40.859 -4.554 26.486 1.00 0.00 ATOM 641 N GLY 104 -40.151 -3.889 27.394 1.00 0.00 ATOM 642 CA GLY 104 -38.761 -4.220 27.648 1.00 0.00 ATOM 643 O GLY 104 -36.502 -3.866 27.026 1.00 0.00 ATOM 644 C GLY 104 -37.677 -3.759 26.690 1.00 0.00 ATOM 645 N CYS 105 -38.038 -3.263 25.510 1.00 0.00 ATOM 646 CA CYS 105 -37.017 -2.811 24.569 1.00 0.00 ATOM 647 CB CYS 105 -37.561 -2.832 23.139 1.00 0.00 ATOM 648 SG CYS 105 -37.916 -4.485 22.499 1.00 0.00 ATOM 649 O CYS 105 -37.446 -0.504 25.092 1.00 0.00 ATOM 650 C CYS 105 -36.602 -1.387 24.923 1.00 0.00 ATOM 651 N ILE 106 -35.288 -1.149 25.047 1.00 0.00 ATOM 652 CA ILE 106 -34.733 0.163 25.396 1.00 0.00 ATOM 653 CB ILE 106 -33.225 0.078 25.691 1.00 0.00 ATOM 654 CG1 ILE 106 -32.972 -0.779 26.935 1.00 0.00 ATOM 655 CG2 ILE 106 -32.652 1.465 25.938 1.00 0.00 ATOM 656 CD1 ILE 106 -31.516 -1.127 27.149 1.00 0.00 ATOM 657 O ILE 106 -34.698 0.937 23.128 1.00 0.00 ATOM 658 C ILE 106 -34.886 1.217 24.308 1.00 0.00 ATOM 659 N PHE 107 -35.214 2.436 24.722 1.00 0.00 ATOM 660 CA PHE 107 -35.423 3.530 23.785 1.00 0.00 ATOM 661 CB PHE 107 -36.880 3.560 23.313 1.00 0.00 ATOM 662 CG PHE 107 -37.868 3.824 24.414 1.00 0.00 ATOM 663 CD1 PHE 107 -38.292 5.113 24.688 1.00 0.00 ATOM 664 CD2 PHE 107 -38.374 2.784 25.174 1.00 0.00 ATOM 665 CE1 PHE 107 -39.200 5.355 25.702 1.00 0.00 ATOM 666 CE2 PHE 107 -39.283 3.027 26.185 1.00 0.00 ATOM 667 CZ PHE 107 -39.696 4.306 26.451 1.00 0.00 ATOM 668 O PHE 107 -34.839 5.031 25.576 1.00 0.00 ATOM 669 C PHE 107 -35.120 4.901 24.383 1.00 0.00 ATOM 670 N GLY 108 -35.176 5.919 23.531 1.00 0.00 ATOM 671 CA GLY 108 -34.927 7.297 23.929 1.00 0.00 ATOM 672 O GLY 108 -36.158 7.804 21.932 1.00 0.00 ATOM 673 C GLY 108 -35.705 8.220 23.000 1.00 0.00 ATOM 674 N SER 109 -35.854 9.470 23.422 1.00 0.00 ATOM 675 CA SER 109 -36.552 10.482 22.644 1.00 0.00 ATOM 676 CB SER 109 -37.965 10.697 23.188 1.00 0.00 ATOM 677 OG SER 109 -38.654 11.687 22.443 1.00 0.00 ATOM 678 O SER 109 -35.285 12.113 23.843 1.00 0.00 ATOM 679 C SER 109 -35.742 11.766 22.758 1.00 0.00 ATOM 680 N ALA 110 -35.544 12.459 21.641 1.00 0.00 ATOM 681 CA ALA 110 -34.825 13.730 21.659 1.00 0.00 ATOM 682 CB ALA 110 -33.399 13.539 21.163 1.00 0.00 ATOM 683 O ALA 110 -35.722 14.423 19.550 1.00 0.00 ATOM 684 C ALA 110 -35.577 14.685 20.741 1.00 0.00 ATOM 685 N MET 111 -36.069 15.784 21.303 1.00 0.00 ATOM 686 CA MET 111 -36.823 16.754 20.521 1.00 0.00 ATOM 687 CB MET 111 -37.430 17.821 21.433 1.00 0.00 ATOM 688 CG MET 111 -38.465 17.286 22.411 1.00 0.00 ATOM 689 SD MET 111 -39.932 16.640 21.587 1.00 0.00 ATOM 690 CE MET 111 -39.638 14.877 21.702 1.00 0.00 ATOM 691 O MET 111 -34.732 17.636 19.740 1.00 0.00 ATOM 692 C MET 111 -35.929 17.453 19.505 1.00 0.00 ATOM 693 N ASN 112 -36.515 17.832 18.374 1.00 0.00 ATOM 694 CA ASN 112 -35.765 18.533 17.348 1.00 0.00 ATOM 695 CB ASN 112 -36.289 18.167 15.957 1.00 0.00 ATOM 696 CG ASN 112 -35.962 16.738 15.570 1.00 0.00 ATOM 697 ND2 ASN 112 -36.778 16.162 14.696 1.00 0.00 ATOM 698 OD1 ASN 112 -34.987 16.161 16.051 1.00 0.00 ATOM 699 O ASN 112 -36.259 20.493 18.641 1.00 0.00 ATOM 700 C ASN 112 -35.907 20.046 17.548 1.00 0.00 ATOM 701 N GLN 113 -35.660 20.828 16.500 1.00 0.00 ATOM 702 CA GLN 113 -35.674 22.287 16.620 1.00 0.00 ATOM 703 CB GLN 113 -35.373 22.940 15.268 1.00 0.00 ATOM 704 CG GLN 113 -33.936 22.772 14.805 1.00 0.00 ATOM 705 CD GLN 113 -33.686 23.397 13.446 1.00 0.00 ATOM 706 OE1 GLN 113 -34.581 24.004 12.858 1.00 0.00 ATOM 707 NE2 GLN 113 -32.465 23.250 12.944 1.00 0.00 ATOM 708 O GLN 113 -36.859 24.147 17.537 1.00 0.00 ATOM 709 C GLN 113 -36.936 23.009 17.081 1.00 0.00 ATOM 710 N ASP 114 -38.093 22.368 16.975 1.00 0.00 ATOM 711 CA ASP 114 -39.332 23.004 17.411 1.00 0.00 ATOM 712 CB ASP 114 -40.476 22.659 16.455 1.00 0.00 ATOM 713 CG ASP 114 -40.237 23.175 15.049 1.00 0.00 ATOM 714 OD1 ASP 114 -39.880 24.363 14.906 1.00 0.00 ATOM 715 OD2 ASP 114 -40.407 22.392 14.092 1.00 0.00 ATOM 716 O ASP 114 -40.669 23.026 19.407 1.00 0.00 ATOM 717 C ASP 114 -39.712 22.529 18.808 1.00 0.00 ATOM 718 N GLY 115 -38.941 21.585 19.333 1.00 0.00 ATOM 719 CA GLY 115 -39.262 21.027 20.630 1.00 0.00 ATOM 720 O GLY 115 -40.566 19.663 19.166 1.00 0.00 ATOM 721 C GLY 115 -40.322 19.981 20.335 1.00 0.00 ATOM 722 N PHE 116 -40.967 19.446 21.365 1.00 0.00 ATOM 723 CA PHE 116 -41.988 18.438 21.133 1.00 0.00 ATOM 724 CB PHE 116 -41.345 17.085 20.823 1.00 0.00 ATOM 725 CG PHE 116 -42.338 15.990 20.552 1.00 0.00 ATOM 726 CD1 PHE 116 -42.933 15.869 19.309 1.00 0.00 ATOM 727 CD2 PHE 116 -42.673 15.082 21.540 1.00 0.00 ATOM 728 CE1 PHE 116 -43.846 14.862 19.060 1.00 0.00 ATOM 729 CE2 PHE 116 -43.587 14.074 21.290 1.00 0.00 ATOM 730 CZ PHE 116 -44.172 13.963 20.058 1.00 0.00 ATOM 731 O PHE 116 -42.499 18.422 23.472 1.00 0.00 ATOM 732 C PHE 116 -42.904 18.234 22.330 1.00 0.00 ATOM 733 N SER 117 -44.150 17.874 22.057 1.00 0.00 ATOM 734 CA SER 117 -45.095 17.564 23.120 1.00 0.00 ATOM 735 CB SER 117 -45.944 18.791 23.455 1.00 0.00 ATOM 736 OG SER 117 -46.876 18.501 24.483 1.00 0.00 ATOM 737 O SER 117 -46.533 16.546 21.488 1.00 0.00 ATOM 738 C SER 117 -45.950 16.439 22.571 1.00 0.00 ATOM 739 N LEU 118 -46.016 15.351 23.324 1.00 0.00 ATOM 740 CA LEU 118 -46.729 14.176 22.867 1.00 0.00 ATOM 741 CB LEU 118 -45.763 13.183 22.217 1.00 0.00 ATOM 742 CG LEU 118 -44.806 12.451 23.162 1.00 0.00 ATOM 743 CD1 LEU 118 -44.091 11.323 22.433 1.00 0.00 ATOM 744 CD2 LEU 118 -43.755 13.405 23.706 1.00 0.00 ATOM 745 O LEU 118 -47.233 13.674 25.165 1.00 0.00 ATOM 746 C LEU 118 -47.446 13.425 23.975 1.00 0.00 ATOM 747 N VAL 119 -48.306 12.509 23.558 1.00 0.00 ATOM 748 CA VAL 119 -49.073 11.689 24.480 1.00 0.00 ATOM 749 CB VAL 119 -50.569 11.677 24.115 1.00 0.00 ATOM 750 CG1 VAL 119 -51.342 10.775 25.065 1.00 0.00 ATOM 751 CG2 VAL 119 -51.150 13.080 24.204 1.00 0.00 ATOM 752 O VAL 119 -48.421 9.686 23.341 1.00 0.00 ATOM 753 C VAL 119 -48.538 10.269 24.420 1.00 0.00 ATOM 754 N GLY 120 -48.203 9.719 25.582 1.00 0.00 ATOM 755 CA GLY 120 -47.708 8.352 25.660 1.00 0.00 ATOM 756 O GLY 120 -49.484 8.003 27.218 1.00 0.00 ATOM 757 C GLY 120 -48.790 7.519 26.329 1.00 0.00 ATOM 758 N CYS 121 -48.947 6.278 25.887 1.00 0.00 ATOM 759 CA CYS 121 -49.928 5.377 26.482 1.00 0.00 ATOM 760 CB CYS 121 -51.097 5.149 25.522 1.00 0.00 ATOM 761 SG CYS 121 -52.039 6.640 25.123 1.00 0.00 ATOM 762 O CYS 121 -48.554 3.512 25.880 1.00 0.00 ATOM 763 C CYS 121 -49.209 4.065 26.761 1.00 0.00 ATOM 764 N MET 122 -49.321 3.583 27.995 1.00 0.00 ATOM 765 CA MET 122 -48.668 2.344 28.410 1.00 0.00 ATOM 766 CB MET 122 -47.849 2.571 29.682 1.00 0.00 ATOM 767 CG MET 122 -46.710 3.563 29.518 1.00 0.00 ATOM 768 SD MET 122 -45.443 2.987 28.371 1.00 0.00 ATOM 769 CE MET 122 -44.759 1.608 29.287 1.00 0.00 ATOM 770 O MET 122 -50.791 1.618 29.223 1.00 0.00 ATOM 771 C MET 122 -49.734 1.295 28.680 1.00 0.00 ATOM 772 N VAL 123 -49.463 0.042 28.315 1.00 0.00 ATOM 773 CA VAL 123 -50.469 -0.993 28.501 1.00 0.00 ATOM 774 CB VAL 123 -50.233 -2.186 27.556 1.00 0.00 ATOM 775 CG1 VAL 123 -50.324 -1.741 26.104 1.00 0.00 ATOM 776 CG2 VAL 123 -48.855 -2.786 27.790 1.00 0.00 ATOM 777 O VAL 123 -50.734 -2.881 29.977 1.00 0.00 ATOM 778 C VAL 123 -50.611 -1.659 29.872 1.00 0.00 ATOM 779 N SER 124 -50.600 -0.832 30.915 1.00 0.00 ATOM 780 CA SER 124 -50.821 -1.272 32.296 1.00 0.00 ATOM 781 CB SER 124 -49.539 -1.869 32.879 1.00 0.00 ATOM 782 OG SER 124 -49.718 -2.236 34.236 1.00 0.00 ATOM 783 O SER 124 -50.488 0.962 33.097 1.00 0.00 ATOM 784 C SER 124 -51.235 -0.014 33.051 1.00 0.00 ATOM 785 N PRO 125 -52.432 -0.030 33.631 1.00 0.00 ATOM 786 CA PRO 125 -52.908 1.136 34.352 1.00 0.00 ATOM 787 CB PRO 125 -54.341 0.768 34.744 1.00 0.00 ATOM 788 CG PRO 125 -54.348 -0.723 34.775 1.00 0.00 ATOM 789 CD PRO 125 -53.412 -1.167 33.687 1.00 0.00 ATOM 790 O PRO 125 -52.126 2.614 36.064 1.00 0.00 ATOM 791 C PRO 125 -52.101 1.476 35.591 1.00 0.00 ATOM 792 N GLY 126 -51.379 0.495 36.122 1.00 0.00 ATOM 793 CA GLY 126 -50.575 0.713 37.317 1.00 0.00 ATOM 794 O GLY 126 -48.402 1.519 37.919 1.00 0.00 ATOM 795 C GLY 126 -49.222 1.347 37.018 1.00 0.00 ATOM 796 N PHE 127 -48.997 1.695 35.756 1.00 0.00 ATOM 797 CA PHE 127 -47.748 2.330 35.341 1.00 0.00 ATOM 798 CB PHE 127 -47.919 3.011 33.980 1.00 0.00 ATOM 799 CG PHE 127 -46.688 3.726 33.501 1.00 0.00 ATOM 800 CD1 PHE 127 -45.632 3.020 32.948 1.00 0.00 ATOM 801 CD2 PHE 127 -46.585 5.101 33.603 1.00 0.00 ATOM 802 CE1 PHE 127 -44.499 3.677 32.507 1.00 0.00 ATOM 803 CE2 PHE 127 -45.452 5.758 33.162 1.00 0.00 ATOM 804 CZ PHE 127 -44.412 5.052 32.616 1.00 0.00 ATOM 805 O PHE 127 -48.173 4.204 36.778 1.00 0.00 ATOM 806 C PHE 127 -47.351 3.378 36.379 1.00 0.00 ATOM 807 N THR 128 -46.094 3.342 36.813 1.00 0.00 ATOM 808 CA THR 128 -45.604 4.280 37.819 1.00 0.00 ATOM 809 CB THR 128 -45.958 3.819 39.243 1.00 0.00 ATOM 810 CG2 THR 128 -45.223 2.532 39.585 1.00 0.00 ATOM 811 OG1 THR 128 -45.583 4.831 40.185 1.00 0.00 ATOM 812 O THR 128 -43.471 4.234 36.711 1.00 0.00 ATOM 813 C THR 128 -44.087 4.437 37.761 1.00 0.00 ATOM 814 N PHE 129 -43.492 4.804 38.895 1.00 0.00 ATOM 815 CA PHE 129 -42.047 4.998 38.987 1.00 0.00 ATOM 816 CB PHE 129 -41.684 5.699 40.298 1.00 0.00 ATOM 817 CG PHE 129 -42.002 7.167 40.309 1.00 0.00 ATOM 818 CD1 PHE 129 -43.118 7.642 40.976 1.00 0.00 ATOM 819 CD2 PHE 129 -41.186 8.072 39.655 1.00 0.00 ATOM 820 CE1 PHE 129 -43.411 8.992 40.986 1.00 0.00 ATOM 821 CE2 PHE 129 -41.479 9.422 39.666 1.00 0.00 ATOM 822 CZ PHE 129 -42.586 9.884 40.327 1.00 0.00 ATOM 823 O PHE 129 -40.173 3.624 38.412 1.00 0.00 ATOM 824 C PHE 129 -41.278 3.683 38.945 1.00 0.00 ATOM 825 N ASP 130 -41.862 2.634 39.514 1.00 0.00 ATOM 826 CA ASP 130 -41.217 1.325 39.531 1.00 0.00 ATOM 827 CB ASP 130 -41.857 0.426 40.591 1.00 0.00 ATOM 828 CG ASP 130 -41.515 0.856 42.003 1.00 0.00 ATOM 829 OD1 ASP 130 -40.572 1.658 42.168 1.00 0.00 ATOM 830 OD2 ASP 130 -42.190 0.389 42.946 1.00 0.00 ATOM 831 O ASP 130 -40.945 -0.512 38.008 1.00 0.00 ATOM 832 C ASP 130 -41.350 0.640 38.177 1.00 0.00 ATOM 833 N ASP 131 -41.920 1.356 37.212 1.00 0.00 ATOM 834 CA ASP 131 -42.107 0.815 35.872 1.00 0.00 ATOM 835 CB ASP 131 -43.376 1.386 35.235 1.00 0.00 ATOM 836 CG ASP 131 -44.641 0.859 35.884 1.00 0.00 ATOM 837 OD1 ASP 131 -44.557 -0.147 36.620 1.00 0.00 ATOM 838 OD2 ASP 131 -45.717 1.453 35.658 1.00 0.00 ATOM 839 O ASP 131 -40.663 0.381 34.019 1.00 0.00 ATOM 840 C ASP 131 -40.946 1.143 34.939 1.00 0.00 ATOM 844 N LEU 134 -40.272 2.264 35.184 1.00 0.00 ATOM 845 CA LEU 134 -39.187 2.704 34.307 1.00 0.00 ATOM 846 CB LEU 134 -39.358 4.180 33.941 1.00 0.00 ATOM 847 CG LEU 134 -40.646 4.550 33.203 1.00 0.00 ATOM 848 CD1 LEU 134 -40.724 6.053 32.979 1.00 0.00 ATOM 849 CD2 LEU 134 -40.705 3.864 31.846 1.00 0.00 ATOM 850 O LEU 134 -37.413 3.118 35.890 1.00 0.00 ATOM 851 C LEU 134 -37.752 2.610 34.822 1.00 0.00 ATOM 852 N PHE 135 -36.910 1.970 34.017 1.00 0.00 ATOM 853 CA PHE 135 -35.500 1.768 34.329 1.00 0.00 ATOM 854 CB PHE 135 -35.084 0.328 34.022 1.00 0.00 ATOM 855 CG PHE 135 -35.724 -0.691 34.921 1.00 0.00 ATOM 856 CD1 PHE 135 -36.917 -1.297 34.567 1.00 0.00 ATOM 857 CD2 PHE 135 -35.131 -1.045 36.121 1.00 0.00 ATOM 858 CE1 PHE 135 -37.505 -2.234 35.394 1.00 0.00 ATOM 859 CE2 PHE 135 -35.719 -1.985 36.948 1.00 0.00 ATOM 860 CZ PHE 135 -36.901 -2.577 36.589 1.00 0.00 ATOM 861 O PHE 135 -34.676 2.648 32.266 1.00 0.00 ATOM 862 C PHE 135 -34.646 2.718 33.490 1.00 0.00 ATOM 863 N SER 136 -33.891 3.596 34.145 1.00 0.00 ATOM 864 CA SER 136 -33.022 4.544 33.442 1.00 0.00 ATOM 865 CB SER 136 -32.985 5.885 34.178 1.00 0.00 ATOM 866 OG SER 136 -32.066 6.776 33.570 1.00 0.00 ATOM 867 O SER 136 -31.069 3.441 34.292 1.00 0.00 ATOM 868 C SER 136 -31.591 4.022 33.345 1.00 0.00 ATOM 869 N GLN 137 -30.957 4.257 32.201 1.00 0.00 ATOM 870 CA GLN 137 -29.582 3.827 31.971 1.00 0.00 ATOM 871 CB GLN 137 -29.055 4.402 30.654 1.00 0.00 ATOM 872 CG GLN 137 -27.641 3.967 30.310 1.00 0.00 ATOM 873 CD GLN 137 -27.160 4.538 28.989 1.00 0.00 ATOM 874 OE1 GLN 137 -27.854 5.334 28.357 1.00 0.00 ATOM 875 NE2 GLN 137 -25.967 4.133 28.570 1.00 0.00 ATOM 876 O GLN 137 -27.907 3.457 33.653 1.00 0.00 ATOM 877 C GLN 137 -28.623 4.275 33.073 1.00 0.00 ATOM 878 N GLU 138 -28.609 5.572 33.363 1.00 0.00 ATOM 879 CA GLU 138 -27.701 6.097 34.375 1.00 0.00 ATOM 880 CB GLU 138 -27.692 7.627 34.345 1.00 0.00 ATOM 881 CG GLU 138 -27.026 8.218 33.114 1.00 0.00 ATOM 882 CD GLU 138 -27.117 9.732 33.073 1.00 0.00 ATOM 883 OE1 GLU 138 -27.754 10.313 33.976 1.00 0.00 ATOM 884 OE2 GLU 138 -26.549 10.335 32.139 1.00 0.00 ATOM 885 O GLU 138 -27.205 5.620 36.666 1.00 0.00 ATOM 886 C GLU 138 -28.071 5.686 35.796 1.00 0.00 ATOM 887 N ALA 139 -29.351 5.404 36.034 1.00 0.00 ATOM 888 CA ALA 139 -29.784 4.981 37.363 1.00 0.00 ATOM 889 CB ALA 139 -31.302 5.000 37.457 1.00 0.00 ATOM 890 O ALA 139 -28.838 3.220 38.710 1.00 0.00 ATOM 891 C ALA 139 -29.271 3.560 37.606 1.00 0.00 ATOM 892 N LEU 140 -29.312 2.731 36.567 1.00 0.00 ATOM 893 CA LEU 140 -28.830 1.356 36.677 1.00 0.00 ATOM 894 CB LEU 140 -29.045 0.606 35.361 1.00 0.00 ATOM 895 CG LEU 140 -28.571 -0.848 35.324 1.00 0.00 ATOM 896 CD1 LEU 140 -29.320 -1.684 36.351 1.00 0.00 ATOM 897 CD2 LEU 140 -28.808 -1.457 33.950 1.00 0.00 ATOM 898 O LEU 140 -26.887 0.726 37.946 1.00 0.00 ATOM 899 C LEU 140 -27.342 1.376 37.004 1.00 0.00 ATOM 900 N LEU 141 -26.580 2.137 36.228 1.00 0.00 ATOM 901 CA LEU 141 -25.144 2.224 36.448 1.00 0.00 ATOM 902 CB LEU 141 -24.490 3.107 35.383 1.00 0.00 ATOM 903 CG LEU 141 -24.455 2.540 33.962 1.00 0.00 ATOM 904 CD1 LEU 141 -23.949 3.586 32.979 1.00 0.00 ATOM 905 CD2 LEU 141 -23.535 1.331 33.887 1.00 0.00 ATOM 906 O LEU 141 -23.833 2.394 38.451 1.00 0.00 ATOM 907 C LEU 141 -24.795 2.821 37.813 1.00 0.00 ATOM 908 N ALA 142 -25.584 3.792 38.269 1.00 0.00 ATOM 909 CA ALA 142 -25.326 4.431 39.557 1.00 0.00 ATOM 910 CB ALA 142 -26.245 5.629 39.747 1.00 0.00 ATOM 911 O ALA 142 -25.090 3.705 41.836 1.00 0.00 ATOM 912 C ALA 142 -25.561 3.470 40.719 1.00 0.00 ATOM 913 N MET 143 -26.287 2.388 40.453 1.00 0.00 ATOM 914 CA MET 143 -26.582 1.405 41.483 1.00 0.00 ATOM 915 CB MET 143 -28.092 1.190 41.603 1.00 0.00 ATOM 916 CG MET 143 -28.858 2.418 42.066 1.00 0.00 ATOM 917 SD MET 143 -30.622 2.102 42.269 1.00 0.00 ATOM 918 CE MET 143 -30.629 1.206 43.820 1.00 0.00 ATOM 919 O MET 143 -26.459 -0.990 41.687 1.00 0.00 ATOM 920 C MET 143 -25.965 0.039 41.218 1.00 0.00 ATOM 921 N TYR 144 -24.870 0.050 40.466 1.00 0.00 ATOM 922 CA TYR 144 -24.123 -1.158 40.140 1.00 0.00 ATOM 923 CB TYR 144 -24.122 -1.396 38.630 1.00 0.00 ATOM 924 CG TYR 144 -23.327 -2.610 38.201 1.00 0.00 ATOM 925 CD1 TYR 144 -23.823 -3.891 38.402 1.00 0.00 ATOM 926 CD2 TYR 144 -22.084 -2.468 37.596 1.00 0.00 ATOM 927 CE1 TYR 144 -23.103 -5.006 38.014 1.00 0.00 ATOM 928 CE2 TYR 144 -21.352 -3.572 37.202 1.00 0.00 ATOM 929 CZ TYR 144 -21.872 -4.847 37.416 1.00 0.00 ATOM 930 OH TYR 144 -21.155 -5.956 37.029 1.00 0.00 ATOM 931 O TYR 144 -22.136 0.154 40.450 1.00 0.00 ATOM 932 C TYR 144 -22.702 -0.924 40.652 1.00 0.00 ATOM 933 N PRO 145 -22.108 -1.915 41.333 1.00 0.00 ATOM 934 CA PRO 145 -20.743 -1.723 41.838 1.00 0.00 ATOM 935 CB PRO 145 -20.351 -3.099 42.382 1.00 0.00 ATOM 936 CG PRO 145 -21.647 -3.729 42.770 1.00 0.00 ATOM 937 CD PRO 145 -22.643 -3.313 41.725 1.00 0.00 ATOM 938 O PRO 145 -19.809 -1.831 39.628 1.00 0.00 ATOM 939 C PRO 145 -19.797 -1.274 40.726 1.00 0.00 ATOM 940 N GLN 146 -18.981 -0.269 41.016 1.00 0.00 ATOM 941 CA GLN 146 -18.036 0.244 40.033 1.00 0.00 ATOM 942 CB GLN 146 -17.135 1.309 40.661 1.00 0.00 ATOM 943 CG GLN 146 -16.152 1.941 39.690 1.00 0.00 ATOM 944 CD GLN 146 -15.291 3.006 40.343 1.00 0.00 ATOM 945 OE1 GLN 146 -15.353 3.210 41.554 1.00 0.00 ATOM 946 NE2 GLN 146 -14.486 3.689 39.536 1.00 0.00 ATOM 947 O GLN 146 -16.853 -0.898 38.291 1.00 0.00 ATOM 948 C GLN 146 -17.141 -0.861 39.487 1.00 0.00 ATOM 949 N HIS 147 -16.696 -1.759 40.361 1.00 0.00 ATOM 950 CA HIS 147 -15.825 -2.850 39.933 1.00 0.00 ATOM 951 CB HIS 147 -15.372 -3.678 41.136 1.00 0.00 ATOM 952 CG HIS 147 -14.406 -2.967 42.031 1.00 0.00 ATOM 953 CD2 HIS 147 -14.412 -2.512 43.414 1.00 0.00 ATOM 954 ND1 HIS 147 -13.155 -2.569 41.610 1.00 0.00 ATOM 955 CE1 HIS 147 -12.523 -1.961 42.628 1.00 0.00 ATOM 956 NE2 HIS 147 -13.270 -1.921 43.713 1.00 0.00 ATOM 957 O HIS 147 -15.879 -4.405 38.106 1.00 0.00 ATOM 958 C HIS 147 -16.523 -3.793 38.960 1.00 0.00 ATOM 959 N LYS 148 -17.842 -3.909 39.087 1.00 0.00 ATOM 960 CA LYS 148 -18.616 -4.770 38.198 1.00 0.00 ATOM 961 CB LYS 148 -20.003 -5.035 38.786 1.00 0.00 ATOM 962 CG LYS 148 -19.994 -5.899 40.035 1.00 0.00 ATOM 963 CD LYS 148 -21.405 -6.171 40.530 1.00 0.00 ATOM 964 CE LYS 148 -21.394 -7.019 41.792 1.00 0.00 ATOM 965 NZ LYS 148 -22.771 -7.281 42.295 1.00 0.00 ATOM 966 O LYS 148 -18.679 -4.753 35.796 1.00 0.00 ATOM 967 C LYS 148 -18.781 -4.100 36.834 1.00 0.00 ATOM 968 N ALA 149 -19.045 -2.798 36.832 1.00 0.00 ATOM 969 CA ALA 149 -19.195 -2.071 35.576 1.00 0.00 ATOM 970 CB ALA 149 -19.584 -0.624 35.843 1.00 0.00 ATOM 971 O ALA 149 -17.811 -2.343 33.632 1.00 0.00 ATOM 972 C ALA 149 -17.859 -2.117 34.841 1.00 0.00 ATOM 973 N VAL 150 -16.778 -1.900 35.583 1.00 0.00 ATOM 974 CA VAL 150 -15.439 -1.915 35.005 1.00 0.00 ATOM 975 CB VAL 150 -14.359 -1.668 36.077 1.00 0.00 ATOM 976 CG1 VAL 150 -12.971 -1.885 35.494 1.00 0.00 ATOM 977 CG2 VAL 150 -14.445 -0.242 36.600 1.00 0.00 ATOM 978 O VAL 150 -14.655 -3.327 33.228 1.00 0.00 ATOM 979 C VAL 150 -15.150 -3.264 34.354 1.00 0.00 ATOM 980 N VAL 151 -15.469 -4.339 35.063 1.00 0.00 ATOM 981 CA VAL 151 -15.241 -5.685 34.550 1.00 0.00 ATOM 982 CB VAL 151 -15.531 -6.754 35.620 1.00 0.00 ATOM 983 CG1 VAL 151 -15.471 -8.146 35.011 1.00 0.00 ATOM 984 CG2 VAL 151 -14.509 -6.676 36.743 1.00 0.00 ATOM 985 O VAL 151 -15.734 -6.653 32.404 1.00 0.00 ATOM 986 C VAL 151 -16.138 -5.976 33.353 1.00 0.00 ATOM 987 N GLN 152 -17.358 -5.452 33.393 1.00 0.00 ATOM 988 CA GLN 152 -18.312 -5.680 32.318 1.00 0.00 ATOM 989 CB GLN 152 -19.653 -5.017 32.640 1.00 0.00 ATOM 990 CG GLN 152 -20.746 -5.300 31.624 1.00 0.00 ATOM 991 CD GLN 152 -21.114 -6.769 31.559 1.00 0.00 ATOM 992 OE1 GLN 152 -21.297 -7.419 32.589 1.00 0.00 ATOM 993 NE2 GLN 152 -21.225 -7.297 30.346 1.00 0.00 ATOM 994 O GLN 152 -18.084 -5.736 29.935 1.00 0.00 ATOM 995 C GLN 152 -17.852 -5.123 30.975 1.00 0.00 ATOM 996 N LYS 153 -17.186 -3.973 31.003 1.00 0.00 ATOM 997 CA LYS 153 -16.725 -3.327 29.778 1.00 0.00 ATOM 998 CB LYS 153 -16.997 -1.822 29.830 1.00 0.00 ATOM 999 CG LYS 153 -18.472 -1.459 29.866 1.00 0.00 ATOM 1000 CD LYS 153 -18.669 0.046 29.937 1.00 0.00 ATOM 1001 CE LYS 153 -20.145 0.409 29.965 1.00 0.00 ATOM 1002 NZ LYS 153 -20.354 1.884 29.954 1.00 0.00 ATOM 1003 O LYS 153 -14.752 -3.092 28.428 1.00 0.00 ATOM 1004 C LYS 153 -15.231 -3.479 29.497 1.00 0.00 ATOM 1005 N LEU 154 -14.498 -4.043 30.449 1.00 0.00 ATOM 1006 CA LEU 154 -13.070 -4.227 30.261 1.00 0.00 ATOM 1007 CB LEU 154 -12.778 -4.749 28.853 1.00 0.00 ATOM 1008 CG LEU 154 -13.400 -6.099 28.488 1.00 0.00 ATOM 1009 CD1 LEU 154 -13.093 -6.459 27.042 1.00 0.00 ATOM 1010 CD2 LEU 154 -12.851 -7.203 29.379 1.00 0.00 ATOM 1011 O LEU 154 -11.258 -2.741 29.770 1.00 0.00 ATOM 1012 C LEU 154 -12.276 -2.945 30.433 1.00 0.00 ATOM 1013 N SER 155 -12.741 -2.074 31.322 1.00 0.00 ATOM 1014 CA SER 155 -12.060 -0.811 31.587 1.00 0.00 ATOM 1015 CB SER 155 -12.954 0.369 31.205 1.00 0.00 ATOM 1016 OG SER 155 -14.077 0.459 32.066 1.00 0.00 ATOM 1017 O SER 155 -12.084 -1.603 33.842 1.00 0.00 ATOM 1018 C SER 155 -11.723 -0.719 33.068 1.00 0.00 ATOM 1019 N ARG 156 -11.023 0.339 33.463 1.00 0.00 ATOM 1020 CA ARG 156 -10.664 0.518 34.865 1.00 0.00 ATOM 1021 CB ARG 156 -9.312 1.223 34.985 1.00 0.00 ATOM 1022 CG ARG 156 -8.147 0.432 34.415 1.00 0.00 ATOM 1023 CD ARG 156 -6.823 1.137 34.668 1.00 0.00 ATOM 1024 NE ARG 156 -5.703 0.440 34.042 1.00 0.00 ATOM 1025 CZ ARG 156 -4.448 0.874 34.063 1.00 0.00 ATOM 1026 NH1 ARG 156 -3.493 0.173 33.467 1.00 0.00 ATOM 1027 NH2 ARG 156 -4.147 2.007 34.684 1.00 0.00 ATOM 1028 O ARG 156 -12.490 2.071 34.894 1.00 0.00 ATOM 1029 C ARG 156 -11.726 1.361 35.550 1.00 0.00 ATOM 1030 N PRO 157 -11.774 1.278 36.873 1.00 0.00 ATOM 1031 CA PRO 157 -12.739 2.048 37.636 1.00 0.00 ATOM 1032 CB PRO 157 -12.483 1.631 39.085 1.00 0.00 ATOM 1033 CG PRO 157 -11.904 0.259 38.982 1.00 0.00 ATOM 1034 CD PRO 157 -11.037 0.265 37.755 1.00 0.00 ATOM 1035 O PRO 157 -13.384 4.345 37.352 1.00 0.00 ATOM 1036 C PRO 157 -12.466 3.530 37.396 1.00 0.00 ATOM 1037 N GLU 158 -11.196 3.871 37.220 1.00 0.00 ATOM 1038 CA GLU 158 -10.804 5.255 36.978 1.00 0.00 ATOM 1039 CB GLU 158 -9.281 5.371 36.883 1.00 0.00 ATOM 1040 CG GLU 158 -8.548 5.002 38.161 1.00 0.00 ATOM 1041 CD GLU 158 -7.042 5.041 38.003 1.00 0.00 ATOM 1042 OE1 GLU 158 -6.570 5.338 36.884 1.00 0.00 ATOM 1043 OE2 GLU 158 -6.331 4.775 38.994 1.00 0.00 ATOM 1044 O GLU 158 -11.814 6.934 35.591 1.00 0.00 ATOM 1045 C GLU 158 -11.403 5.778 35.674 1.00 0.00 TER END