PFRMAT TS TARGET T0205 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 To make this model we fussed around a bit with strand pairing to try METHOD to get the alignment to produce a sheet with consistent exposure of METHOD the charged residues. We also had to tuck the initial and final METHOD helices out of the dimerization interface and what we believed to be METHOD the DNA-binding face. METHOD METHOD We played around mainly with a monomeric model, since undertaker only METHOD understands monomers, but this did not seem to cause much trouble for METHOD us, other than for the initial and final helices. METHOD METHOD This is the version output by undertaker, before the dimer repacking METHOD in Rosetta to form model1. REMARK 6 REMARK 6 T0205 model 2 Sat Jul 3 20:15:58 2004 MODEL 2 PARENT 1nfj_A 1nh9_A 1h0x_A 1udv_A 1ukk_A REMARK 7 REMARK 7 ALLPARENTS 1nfj_A 1nh9_A 1h0x_A 1udv_A 1ukk_A 1ml8_A 1i50_K ATOM 1 N SER 1 4.999 39.442 51.877 1.00 0.00 ATOM 2 CA SER 1 6.151 39.878 52.728 1.00 0.00 ATOM 3 CB SER 1 7.394 39.039 52.412 1.00 0.00 ATOM 4 OG SER 1 7.861 39.396 51.111 1.00 0.00 ATOM 5 O SER 1 5.724 42.005 51.669 1.00 0.00 ATOM 6 C SER 1 6.445 41.358 52.432 1.00 0.00 ATOM 7 N GLU 2 7.429 41.914 53.108 1.00 0.00 ATOM 8 CA GLU 2 7.782 43.305 52.867 1.00 0.00 ATOM 9 CB GLU 2 8.911 43.753 53.801 1.00 0.00 ATOM 10 CG GLU 2 8.548 43.780 55.285 1.00 0.00 ATOM 11 CD GLU 2 8.230 42.407 55.844 1.00 0.00 ATOM 12 OE1 GLU 2 8.972 41.449 55.550 1.00 0.00 ATOM 13 OE2 GLU 2 7.237 42.285 56.593 1.00 0.00 ATOM 14 O GLU 2 7.856 44.486 50.787 1.00 0.00 ATOM 15 C GLU 2 8.219 43.501 51.416 1.00 0.00 ATOM 16 N GLU 3 9.008 42.566 50.912 1.00 0.00 ATOM 17 CA GLU 3 9.481 42.645 49.509 1.00 0.00 ATOM 18 CB GLU 3 10.564 41.590 49.229 1.00 0.00 ATOM 19 CG GLU 3 11.851 41.805 50.021 1.00 0.00 ATOM 20 CD GLU 3 12.821 40.656 49.982 1.00 0.00 ATOM 21 OE1 GLU 3 12.368 39.518 49.847 1.00 0.00 ATOM 22 OE2 GLU 3 14.042 40.925 50.045 1.00 0.00 ATOM 23 O GLU 3 8.256 43.355 47.568 1.00 0.00 ATOM 24 C GLU 3 8.331 42.570 48.521 1.00 0.00 ATOM 25 N ILE 4 7.426 41.627 48.763 1.00 0.00 ATOM 26 CA ILE 4 6.198 41.517 47.972 1.00 0.00 ATOM 27 CB ILE 4 5.426 40.292 48.446 1.00 0.00 ATOM 28 CG1 ILE 4 6.209 39.049 48.041 1.00 0.00 ATOM 29 CG2 ILE 4 4.062 40.344 47.945 1.00 0.00 ATOM 30 CD1 ILE 4 5.679 37.811 48.689 1.00 0.00 ATOM 31 O ILE 4 4.833 43.238 47.068 1.00 0.00 ATOM 32 C ILE 4 5.347 42.767 48.069 1.00 0.00 ATOM 33 N THR 5 5.154 43.277 49.274 1.00 0.00 ATOM 34 CA THR 5 4.359 44.469 49.470 1.00 0.00 ATOM 35 CB THR 5 4.258 44.832 50.946 1.00 0.00 ATOM 36 CG2 THR 5 3.360 46.065 51.175 1.00 0.00 ATOM 37 OG1 THR 5 3.565 43.779 51.616 1.00 0.00 ATOM 38 O THR 5 4.275 46.461 48.117 1.00 0.00 ATOM 39 C THR 5 4.977 45.658 48.729 1.00 0.00 ATOM 40 N ASP 6 6.297 45.812 48.818 1.00 0.00 ATOM 41 CA ASP 6 6.974 46.875 48.097 1.00 0.00 ATOM 42 CB ASP 6 8.464 46.930 48.430 1.00 0.00 ATOM 43 CG ASP 6 8.734 47.369 49.869 1.00 0.00 ATOM 44 OD1 ASP 6 7.799 47.881 50.532 1.00 0.00 ATOM 45 OD2 ASP 6 9.889 47.204 50.324 1.00 0.00 ATOM 46 O ASP 6 6.624 47.597 45.841 1.00 0.00 ATOM 47 C ASP 6 6.806 46.649 46.597 1.00 0.00 ATOM 48 N GLY 7 6.868 45.384 46.177 1.00 0.00 ATOM 49 CA GLY 7 6.705 45.070 44.771 1.00 0.00 ATOM 50 O GLY 7 5.175 46.063 43.215 1.00 0.00 ATOM 51 C GLY 7 5.325 45.495 44.299 1.00 0.00 ATOM 52 N VAL 8 4.306 45.232 45.120 1.00 0.00 ATOM 53 CA VAL 8 2.943 45.603 44.768 1.00 0.00 ATOM 54 CB VAL 8 1.939 45.050 45.806 1.00 0.00 ATOM 55 CG1 VAL 8 0.542 45.667 45.607 1.00 0.00 ATOM 56 CG2 VAL 8 1.889 43.531 45.693 1.00 0.00 ATOM 57 O VAL 8 2.261 47.638 43.677 1.00 0.00 ATOM 58 C VAL 8 2.783 47.118 44.674 1.00 0.00 ATOM 59 N ASN 9 3.238 47.829 45.676 1.00 0.00 ATOM 60 CA ASN 9 3.088 49.295 45.677 1.00 0.00 ATOM 61 CB ASN 9 3.600 49.884 46.994 1.00 0.00 ATOM 62 CG ASN 9 2.671 49.603 48.159 1.00 0.00 ATOM 63 ND2 ASN 9 3.197 49.712 49.373 1.00 0.00 ATOM 64 OD1 ASN 9 1.496 49.290 47.967 1.00 0.00 ATOM 65 O ASN 9 3.327 50.633 43.680 1.00 0.00 ATOM 66 C ASN 9 3.888 49.897 44.524 1.00 0.00 ATOM 67 N ASN 10 5.134 49.455 44.367 1.00 0.00 ATOM 68 CA ASN 10 5.966 50.049 43.337 1.00 0.00 ATOM 69 CB ASN 10 7.463 49.647 43.602 1.00 0.00 ATOM 70 CG ASN 10 8.012 50.200 44.916 1.00 0.00 ATOM 71 ND2 ASN 10 9.031 49.528 45.426 1.00 0.00 ATOM 72 OD1 ASN 10 7.532 51.205 45.454 1.00 0.00 ATOM 73 O ASN 10 5.500 50.543 41.048 1.00 0.00 ATOM 74 C ASN 10 5.549 49.675 41.936 1.00 0.00 ATOM 75 N MET 11 5.047 48.467 41.733 1.00 0.00 ATOM 76 CA MET 11 4.443 48.093 40.452 1.00 0.00 ATOM 77 CB MET 11 5.334 47.094 39.712 1.00 0.00 ATOM 78 CG MET 11 4.754 46.599 38.396 1.00 0.00 ATOM 79 SD MET 11 5.898 45.551 37.482 1.00 0.00 ATOM 80 CE MET 11 5.884 44.072 38.493 1.00 0.00 ATOM 81 O MET 11 3.042 46.424 41.346 1.00 0.00 ATOM 82 C MET 11 3.099 47.460 40.710 1.00 0.00 ATOM 83 N ASN 12 2.106 47.820 39.899 1.00 0.00 ATOM 84 CA ASN 12 0.752 47.258 40.031 1.00 0.00 ATOM 85 CB ASN 12 -0.262 48.388 40.209 1.00 0.00 ATOM 86 CG ASN 12 -0.209 49.016 41.585 1.00 0.00 ATOM 87 ND2 ASN 12 -0.500 50.310 41.686 1.00 0.00 ATOM 88 OD1 ASN 12 0.079 48.355 42.584 1.00 0.00 ATOM 89 O ASN 12 0.640 46.969 37.638 1.00 0.00 ATOM 90 C ASN 12 0.414 46.473 38.748 1.00 0.00 ATOM 91 N LEU 13 -0.241 45.313 38.938 1.00 0.00 ATOM 92 CA LEU 13 -0.676 44.476 37.813 1.00 0.00 ATOM 93 CB LEU 13 -0.050 43.096 37.913 1.00 0.00 ATOM 94 CG LEU 13 1.477 43.051 37.890 1.00 0.00 ATOM 95 CD1 LEU 13 2.031 41.675 38.040 1.00 0.00 ATOM 96 CD2 LEU 13 2.051 43.755 36.704 1.00 0.00 ATOM 97 O LEU 13 -2.823 44.274 38.892 1.00 0.00 ATOM 98 C LEU 13 -2.219 44.401 37.852 1.00 0.00 ATOM 99 N ALA 14 -2.798 44.772 36.719 1.00 0.00 ATOM 100 CA ALA 14 -4.243 44.805 36.574 1.00 0.00 ATOM 101 CB ALA 14 -4.733 46.242 36.466 1.00 0.00 ATOM 102 O ALA 14 -3.547 43.735 34.547 1.00 0.00 ATOM 103 C ALA 14 -4.497 44.023 35.291 1.00 0.00 ATOM 104 N THR 15 -5.665 43.398 35.212 1.00 0.00 ATOM 105 CA THR 15 -6.050 42.598 34.054 1.00 0.00 ATOM 106 CB THR 15 -6.473 41.172 34.427 1.00 0.00 ATOM 107 CG2 THR 15 -6.407 40.288 33.201 1.00 0.00 ATOM 108 OG1 THR 15 -5.606 40.649 35.434 1.00 0.00 ATOM 109 O THR 15 -8.240 43.540 34.164 1.00 0.00 ATOM 110 C THR 15 -7.311 43.187 33.444 1.00 0.00 ATOM 111 N ASP 16 -7.366 43.226 32.116 1.00 0.00 ATOM 112 CA ASP 16 -8.549 43.743 31.443 1.00 0.00 ATOM 113 CB ASP 16 -8.171 44.382 30.105 1.00 0.00 ATOM 114 CG ASP 16 -7.656 43.371 29.100 1.00 0.00 ATOM 115 OD1 ASP 16 -7.838 42.156 29.331 1.00 0.00 ATOM 116 OD2 ASP 16 -7.070 43.791 28.082 1.00 0.00 ATOM 117 O ASP 16 -9.305 41.466 31.605 1.00 0.00 ATOM 118 C ASP 16 -9.547 42.608 31.208 1.00 0.00 ATOM 119 N SER 17 -10.651 42.935 30.545 1.00 0.00 ATOM 120 CA SER 17 -11.695 41.949 30.279 1.00 0.00 ATOM 121 CB SER 17 -12.926 42.642 29.701 1.00 0.00 ATOM 122 OG SER 17 -12.643 43.202 28.428 1.00 0.00 ATOM 123 O SER 17 -11.952 39.726 29.417 1.00 0.00 ATOM 124 C SER 17 -11.306 40.776 29.384 1.00 0.00 ATOM 125 N GLN 18 -10.243 40.906 28.658 1.00 0.00 ATOM 126 CA GLN 18 -9.783 39.842 27.772 1.00 0.00 ATOM 127 CB GLN 18 -9.832 40.389 26.216 1.00 0.00 ATOM 128 CG GLN 18 -10.751 41.521 25.828 1.00 0.00 ATOM 129 CD GLN 18 -10.521 41.942 24.388 1.00 0.00 ATOM 130 OE1 GLN 18 -10.991 41.286 23.451 1.00 0.00 ATOM 131 NE2 GLN 18 -9.776 43.027 24.204 1.00 0.00 ATOM 132 O GLN 18 -7.729 38.734 27.511 1.00 0.00 ATOM 133 C GLN 18 -8.621 39.016 28.316 1.00 0.00 ATOM 134 N LYS 19 -8.264 39.255 29.573 1.00 0.00 ATOM 135 CA LYS 19 -7.175 38.501 30.168 1.00 0.00 ATOM 136 CB LYS 19 -7.924 36.954 30.290 1.00 0.00 ATOM 137 CG LYS 19 -9.436 36.893 30.483 1.00 0.00 ATOM 138 CD LYS 19 -9.949 35.463 30.416 1.00 0.00 ATOM 139 CE LYS 19 -9.301 34.583 31.480 1.00 0.00 ATOM 140 NZ LYS 19 -9.568 35.072 32.870 1.00 0.00 ATOM 141 O LYS 19 -4.911 38.263 29.526 1.00 0.00 ATOM 142 C LYS 19 -5.802 39.054 29.840 1.00 0.00 ATOM 143 N LYS 20 -5.755 40.317 29.433 1.00 0.00 ATOM 144 CA LYS 20 -4.486 40.963 29.114 1.00 0.00 ATOM 145 CB LYS 20 -4.604 41.499 27.630 1.00 0.00 ATOM 146 CG LYS 20 -4.835 40.380 26.627 1.00 0.00 ATOM 147 CD LYS 20 -5.476 40.856 25.364 1.00 0.00 ATOM 148 CE LYS 20 -5.861 39.648 24.526 1.00 0.00 ATOM 149 NZ LYS 20 -6.402 40.067 23.224 1.00 0.00 ATOM 150 O LYS 20 -4.389 42.699 30.741 1.00 0.00 ATOM 151 C LYS 20 -3.944 41.605 30.388 1.00 0.00 ATOM 152 N ASN 21 -2.733 41.205 30.806 1.00 0.00 ATOM 153 CA ASN 21 -2.140 41.768 32.017 1.00 0.00 ATOM 154 CB ASN 21 -1.152 40.781 32.639 1.00 0.00 ATOM 155 CG ASN 21 -1.836 39.556 33.210 1.00 0.00 ATOM 156 ND2 ASN 21 -1.089 38.464 33.331 1.00 0.00 ATOM 157 OD1 ASN 21 -3.022 39.592 33.541 1.00 0.00 ATOM 158 O ASN 21 -0.879 43.278 30.653 1.00 0.00 ATOM 159 C ASN 21 -1.374 43.065 31.761 1.00 0.00 ATOM 160 N ARG 22 -1.652 44.059 32.591 1.00 0.00 ATOM 161 CA ARG 22 -0.963 45.335 32.516 1.00 0.00 ATOM 162 CB ARG 22 -1.914 46.485 32.847 1.00 0.00 ATOM 163 CG ARG 22 -1.262 47.856 32.710 1.00 0.00 ATOM 164 CD ARG 22 -2.134 48.925 33.355 1.00 0.00 ATOM 165 NE ARG 22 -2.200 48.728 34.802 1.00 0.00 ATOM 166 CZ ARG 22 -3.275 48.976 35.541 1.00 0.00 ATOM 167 NH1 ARG 22 -3.240 48.767 36.854 1.00 0.00 ATOM 168 NH2 ARG 22 -4.387 49.420 34.969 1.00 0.00 ATOM 169 O ARG 22 -0.150 45.353 34.742 1.00 0.00 ATOM 170 C ARG 22 0.155 45.376 33.548 1.00 0.00 ATOM 171 N ILE 23 1.305 45.896 33.142 1.00 0.00 ATOM 172 CA ILE 23 2.433 46.024 34.049 1.00 0.00 ATOM 173 CB ILE 23 3.617 45.206 33.523 1.00 0.00 ATOM 174 CG1 ILE 23 3.227 43.720 33.545 1.00 0.00 ATOM 175 CG2 ILE 23 4.855 45.459 34.380 1.00 0.00 ATOM 176 CD1 ILE 23 4.287 42.787 33.024 1.00 0.00 ATOM 177 O ILE 23 2.906 48.169 33.109 1.00 0.00 ATOM 178 C ILE 23 2.758 47.503 34.134 1.00 0.00 ATOM 179 N GLN 24 2.766 48.034 35.349 1.00 0.00 ATOM 180 CA GLN 24 3.079 49.442 35.531 1.00 0.00 ATOM 181 CB GLN 24 2.349 50.000 36.756 1.00 0.00 ATOM 182 CG GLN 24 2.581 51.484 36.992 1.00 0.00 ATOM 183 CD GLN 24 1.828 52.004 38.200 1.00 0.00 ATOM 184 OE1 GLN 24 1.075 51.270 38.839 1.00 0.00 ATOM 185 NE2 GLN 24 2.032 53.276 38.521 1.00 0.00 ATOM 186 O GLN 24 5.160 48.578 36.107 1.00 0.00 ATOM 187 C GLN 24 4.573 49.591 35.732 1.00 0.00 ATOM 188 N VAL 25 5.198 50.385 34.867 1.00 0.00 ATOM 189 CA VAL 25 6.627 50.617 34.960 1.00 0.00 ATOM 190 CB VAL 25 7.151 51.405 33.742 1.00 0.00 ATOM 191 CG1 VAL 25 8.642 51.668 33.879 1.00 0.00 ATOM 192 CG2 VAL 25 6.916 50.622 32.461 1.00 0.00 ATOM 193 O VAL 25 7.034 52.634 36.113 1.00 0.00 ATOM 194 C VAL 25 6.902 51.416 36.222 1.00 0.00 ATOM 195 N SER 26 7.540 50.761 37.185 1.00 0.00 ATOM 196 CA SER 26 7.858 51.357 38.474 1.00 0.00 ATOM 197 CB SER 26 7.938 50.258 39.569 1.00 0.00 ATOM 198 OG SER 26 9.111 49.480 39.383 1.00 0.00 ATOM 199 O SER 26 9.977 51.981 37.548 1.00 0.00 ATOM 200 C SER 26 9.181 52.109 38.476 1.00 0.00 ATOM 201 N ASN 27 9.284 53.095 39.355 1.00 0.00 ATOM 202 CA ASN 27 10.505 53.862 39.467 1.00 0.00 ATOM 203 CB ASN 27 10.236 55.200 40.158 1.00 0.00 ATOM 204 CG ASN 27 9.425 56.148 39.296 1.00 0.00 ATOM 205 ND2 ASN 27 8.761 57.104 39.935 1.00 0.00 ATOM 206 OD1 ASN 27 9.400 56.021 38.072 1.00 0.00 ATOM 207 O ASN 27 12.694 53.292 40.255 1.00 0.00 ATOM 208 C ASN 27 11.493 53.044 40.293 1.00 0.00 ATOM 209 N THR 28 10.976 52.123 41.102 1.00 0.00 ATOM 210 CA THR 28 11.816 51.302 41.968 1.00 0.00 ATOM 211 CB THR 28 11.088 51.043 43.380 1.00 0.00 ATOM 212 CG2 THR 28 10.372 52.284 43.870 1.00 0.00 ATOM 213 OG1 THR 28 10.173 50.073 43.153 1.00 0.00 ATOM 214 O THR 28 13.563 49.789 41.630 1.00 0.00 ATOM 215 C THR 28 12.373 49.996 41.392 1.00 0.00 ATOM 216 N LYS 29 11.895 49.584 40.225 1.00 0.00 ATOM 217 CA LYS 29 12.407 48.368 39.591 1.00 0.00 ATOM 218 CB LYS 29 11.251 47.456 39.174 1.00 0.00 ATOM 219 CG LYS 29 10.340 47.041 40.319 1.00 0.00 ATOM 220 CD LYS 29 11.059 46.122 41.289 1.00 0.00 ATOM 221 CE LYS 29 10.143 45.691 42.424 1.00 0.00 ATOM 222 NZ LYS 29 10.856 44.850 43.424 1.00 0.00 ATOM 223 O LYS 29 12.734 49.689 37.629 1.00 0.00 ATOM 224 C LYS 29 13.196 48.826 38.371 1.00 0.00 ATOM 225 N LYS 30 14.381 48.269 38.156 1.00 0.00 ATOM 226 CA LYS 30 15.147 48.723 37.002 1.00 0.00 ATOM 227 CB LYS 30 16.602 48.265 37.111 1.00 0.00 ATOM 228 CG LYS 30 17.377 48.922 38.242 1.00 0.00 ATOM 229 CD LYS 30 18.814 48.430 38.285 1.00 0.00 ATOM 230 CE LYS 30 19.603 49.125 39.384 1.00 0.00 ATOM 231 NZ LYS 30 21.027 48.688 39.406 1.00 0.00 ATOM 232 O LYS 30 13.610 47.392 35.726 1.00 0.00 ATOM 233 C LYS 30 14.571 48.166 35.704 1.00 0.00 ATOM 234 N PRO 31 14.995 48.751 34.595 1.00 0.00 ATOM 235 CA PRO 31 14.516 48.372 33.276 1.00 0.00 ATOM 236 CB PRO 31 15.381 49.193 32.318 1.00 0.00 ATOM 237 CG PRO 31 15.707 50.435 33.078 1.00 0.00 ATOM 238 CD PRO 31 15.979 49.999 34.492 1.00 0.00 ATOM 239 O PRO 31 13.791 46.311 32.304 1.00 0.00 ATOM 240 C PRO 31 14.658 46.882 32.971 1.00 0.00 ATOM 241 N LEU 32 15.819 46.313 33.289 1.00 0.00 ATOM 242 CA LEU 32 16.078 44.906 32.997 1.00 0.00 ATOM 243 CB LEU 32 17.516 44.536 33.381 1.00 0.00 ATOM 244 CG LEU 32 18.612 45.059 32.448 1.00 0.00 ATOM 245 CD1 LEU 32 19.985 44.895 33.100 1.00 0.00 ATOM 246 CD2 LEU 32 18.548 44.308 31.131 1.00 0.00 ATOM 247 O LEU 32 14.654 42.989 33.243 1.00 0.00 ATOM 248 C LEU 32 15.113 44.008 33.761 1.00 0.00 ATOM 249 N PHE 33 14.817 44.382 34.999 1.00 0.00 ATOM 250 CA PHE 33 13.899 43.612 35.828 1.00 0.00 ATOM 251 CB PHE 33 13.881 44.218 37.257 1.00 0.00 ATOM 252 CG PHE 33 12.937 43.526 38.205 1.00 0.00 ATOM 253 CD1 PHE 33 13.261 42.288 38.749 1.00 0.00 ATOM 254 CD2 PHE 33 11.717 44.104 38.534 1.00 0.00 ATOM 255 CE1 PHE 33 12.381 41.633 39.608 1.00 0.00 ATOM 256 CE2 PHE 33 10.828 43.458 39.392 1.00 0.00 ATOM 257 CZ PHE 33 11.162 42.221 39.929 1.00 0.00 ATOM 258 O PHE 33 11.820 42.570 35.203 1.00 0.00 ATOM 259 C PHE 33 12.520 43.584 35.163 1.00 0.00 ATOM 260 N PHE 34 12.051 44.749 34.677 1.00 0.00 ATOM 261 CA PHE 34 10.767 44.842 33.995 1.00 0.00 ATOM 262 CB PHE 34 10.469 46.099 33.352 1.00 0.00 ATOM 263 CG PHE 34 10.005 47.121 34.377 1.00 0.00 ATOM 264 CD1 PHE 34 8.721 47.057 34.913 1.00 0.00 ATOM 265 CD2 PHE 34 10.860 48.130 34.829 1.00 0.00 ATOM 266 CE1 PHE 34 8.290 47.965 35.874 1.00 0.00 ATOM 267 CE2 PHE 34 10.441 49.054 35.798 1.00 0.00 ATOM 268 CZ PHE 34 9.161 48.977 36.327 1.00 0.00 ATOM 269 O PHE 34 9.787 43.345 32.401 1.00 0.00 ATOM 270 C PHE 34 10.781 43.981 32.735 1.00 0.00 ATOM 271 N TYR 35 11.866 44.058 31.964 1.00 0.00 ATOM 272 CA TYR 35 11.971 43.266 30.744 1.00 0.00 ATOM 273 CB TYR 35 13.340 43.503 30.077 1.00 0.00 ATOM 274 CG TYR 35 13.584 42.601 28.886 1.00 0.00 ATOM 275 CD1 TYR 35 13.074 42.854 27.630 1.00 0.00 ATOM 276 CD2 TYR 35 14.374 41.465 29.041 1.00 0.00 ATOM 277 CE1 TYR 35 13.285 42.019 26.553 1.00 0.00 ATOM 278 CE2 TYR 35 14.610 40.609 27.977 1.00 0.00 ATOM 279 CZ TYR 35 14.067 40.909 26.737 1.00 0.00 ATOM 280 OH TYR 35 14.301 40.071 25.675 1.00 0.00 ATOM 281 O TYR 35 11.065 41.071 30.394 1.00 0.00 ATOM 282 C TYR 35 11.847 41.776 31.044 1.00 0.00 ATOM 283 N VAL 36 12.566 41.323 32.064 1.00 0.00 ATOM 284 CA VAL 36 12.543 39.913 32.434 1.00 0.00 ATOM 285 CB VAL 36 13.575 39.689 33.529 1.00 0.00 ATOM 286 CG1 VAL 36 13.388 38.339 34.231 1.00 0.00 ATOM 287 CG2 VAL 36 14.935 39.751 32.870 1.00 0.00 ATOM 288 O VAL 36 10.613 38.469 32.612 1.00 0.00 ATOM 289 C VAL 36 11.133 39.559 32.954 1.00 0.00 ATOM 290 N ASN 37 10.494 40.442 33.678 1.00 0.00 ATOM 291 CA ASN 37 9.130 40.176 34.151 1.00 0.00 ATOM 292 CB ASN 37 8.574 41.273 34.980 1.00 0.00 ATOM 293 CG ASN 37 9.333 41.438 36.274 1.00 0.00 ATOM 294 ND2 ASN 37 9.031 42.506 37.002 1.00 0.00 ATOM 295 OD1 ASN 37 10.173 40.609 36.626 1.00 0.00 ATOM 296 O ASN 37 7.328 39.018 33.067 1.00 0.00 ATOM 297 C ASN 37 8.135 39.945 33.010 1.00 0.00 ATOM 298 N LEU 38 8.243 40.737 31.940 1.00 0.00 ATOM 299 CA LEU 38 7.359 40.601 30.782 1.00 0.00 ATOM 300 CB LEU 38 7.629 41.739 29.802 1.00 0.00 ATOM 301 CG LEU 38 7.089 43.106 30.249 1.00 0.00 ATOM 302 CD1 LEU 38 7.636 44.197 29.341 1.00 0.00 ATOM 303 CD2 LEU 38 5.572 43.129 30.263 1.00 0.00 ATOM 304 O LEU 38 6.630 38.587 29.692 1.00 0.00 ATOM 305 C LEU 38 7.583 39.261 30.074 1.00 0.00 ATOM 306 N ALA 39 8.837 38.878 29.895 1.00 0.00 ATOM 307 CA ALA 39 9.116 37.606 29.244 1.00 0.00 ATOM 308 CB ALA 39 10.616 37.415 29.073 1.00 0.00 ATOM 309 O ALA 39 8.289 35.355 29.508 1.00 0.00 ATOM 310 C ALA 39 8.575 36.420 30.066 1.00 0.00 ATOM 311 N LYS 40 8.572 36.554 31.391 1.00 0.00 ATOM 312 CA LYS 40 8.032 35.509 32.257 1.00 0.00 ATOM 313 CB LYS 40 8.166 35.912 33.728 1.00 0.00 ATOM 314 CG LYS 40 9.596 35.911 34.243 1.00 0.00 ATOM 315 CD LYS 40 9.653 36.315 35.708 1.00 0.00 ATOM 316 CE LYS 40 11.086 36.338 36.217 1.00 0.00 ATOM 317 NZ LYS 40 11.160 36.766 37.642 1.00 0.00 ATOM 318 O LYS 40 6.177 34.217 31.543 1.00 0.00 ATOM 319 C LYS 40 6.562 35.325 31.903 1.00 0.00 ATOM 320 N ARG 41 5.857 36.420 31.623 1.00 0.00 ATOM 321 CA ARG 41 4.459 36.309 31.233 1.00 0.00 ATOM 322 CB ARG 41 3.782 37.682 31.267 1.00 0.00 ATOM 323 CG ARG 41 3.730 38.315 32.648 1.00 0.00 ATOM 324 CD ARG 41 2.862 37.505 33.594 1.00 0.00 ATOM 325 NE ARG 41 2.709 38.159 34.892 1.00 0.00 ATOM 326 CZ ARG 41 2.140 37.593 35.953 1.00 0.00 ATOM 327 NH1 ARG 41 2.045 38.265 37.091 1.00 0.00 ATOM 328 NH2 ARG 41 1.668 36.356 35.870 1.00 0.00 ATOM 329 O ARG 41 3.448 34.936 29.577 1.00 0.00 ATOM 330 C ARG 41 4.334 35.761 29.842 1.00 0.00 ATOM 331 N TYR 42 5.189 36.172 28.921 1.00 0.00 ATOM 332 CA TYR 42 5.121 35.672 27.532 1.00 0.00 ATOM 333 CB TYR 42 6.184 36.439 26.671 1.00 0.00 ATOM 334 CG TYR 42 6.038 37.949 26.640 1.00 0.00 ATOM 335 CD1 TYR 42 4.802 38.554 26.857 1.00 0.00 ATOM 336 CD2 TYR 42 7.140 38.769 26.386 1.00 0.00 ATOM 337 CE1 TYR 42 4.660 39.942 26.830 1.00 0.00 ATOM 338 CE2 TYR 42 7.011 40.163 26.354 1.00 0.00 ATOM 339 CZ TYR 42 5.766 40.742 26.580 1.00 0.00 ATOM 340 OH TYR 42 5.630 42.112 26.570 1.00 0.00 ATOM 341 O TYR 42 4.700 33.460 26.695 1.00 0.00 ATOM 342 C TYR 42 5.362 34.168 27.452 1.00 0.00 ATOM 343 N MET 43 6.314 33.659 28.218 1.00 0.00 ATOM 344 CA MET 43 6.622 32.238 28.212 1.00 0.00 ATOM 345 CB MET 43 8.035 32.121 28.976 1.00 0.00 ATOM 346 CG MET 43 9.245 32.690 28.208 1.00 0.00 ATOM 347 SD MET 43 10.846 32.355 28.938 1.00 0.00 ATOM 348 CE MET 43 10.758 33.315 30.381 1.00 0.00 ATOM 349 O MET 43 5.425 30.178 28.276 1.00 0.00 ATOM 350 C MET 43 5.530 31.311 28.731 1.00 0.00 ATOM 351 N GLN 44 4.630 31.816 29.564 1.00 0.00 ATOM 352 CA GLN 44 3.576 30.941 30.062 1.00 0.00 ATOM 353 CB GLN 44 3.211 31.306 31.504 1.00 0.00 ATOM 354 CG GLN 44 4.363 31.175 32.487 1.00 0.00 ATOM 355 CD GLN 44 4.909 29.762 32.558 1.00 0.00 ATOM 356 OE1 GLN 44 4.153 28.799 32.683 1.00 0.00 ATOM 357 NE2 GLN 44 6.228 29.634 32.476 1.00 0.00 ATOM 358 O GLN 44 1.279 30.462 29.592 1.00 0.00 ATOM 359 C GLN 44 2.308 31.034 29.235 1.00 0.00 ATOM 360 N GLN 45 2.256 31.785 28.000 1.00 0.00 ATOM 361 CA GLN 45 1.090 31.870 27.144 1.00 0.00 ATOM 362 CB GLN 45 0.159 30.680 27.491 1.00 0.00 ATOM 363 CG GLN 45 0.807 29.317 27.391 1.00 0.00 ATOM 364 CD GLN 45 -0.167 28.209 27.690 1.00 0.00 ATOM 365 OE1 GLN 45 -1.200 28.088 27.033 1.00 0.00 ATOM 366 NE2 GLN 45 0.149 27.390 28.687 1.00 0.00 ATOM 367 O GLN 45 -0.751 33.227 26.533 1.00 0.00 ATOM 368 C GLN 45 0.304 33.157 27.167 1.00 0.00 ATOM 369 N TYR 46 0.672 34.088 28.047 1.00 0.00 ATOM 370 CA TYR 46 -0.006 35.385 28.096 1.00 0.00 ATOM 371 CB TYR 46 0.117 35.969 29.494 1.00 0.00 ATOM 372 CG TYR 46 -0.313 35.012 30.579 1.00 0.00 ATOM 373 CD1 TYR 46 -1.620 34.638 30.760 1.00 0.00 ATOM 374 CD2 TYR 46 0.654 34.451 31.419 1.00 0.00 ATOM 375 CE1 TYR 46 -2.024 33.756 31.743 1.00 0.00 ATOM 376 CE2 TYR 46 0.245 33.572 32.401 1.00 0.00 ATOM 377 CZ TYR 46 -1.068 33.221 32.568 1.00 0.00 ATOM 378 OH TYR 46 -1.417 32.330 33.565 1.00 0.00 ATOM 379 O TYR 46 1.500 37.085 27.320 1.00 0.00 ATOM 380 C TYR 46 0.701 36.197 27.008 1.00 0.00 ATOM 381 N ASN 47 0.139 36.151 25.806 1.00 0.00 ATOM 382 CA ASN 47 0.714 36.786 24.624 1.00 0.00 ATOM 383 CB ASN 47 0.057 36.243 23.352 1.00 0.00 ATOM 384 CG ASN 47 0.435 34.802 23.070 1.00 0.00 ATOM 385 ND2 ASN 47 -0.402 34.113 22.303 1.00 0.00 ATOM 386 OD1 ASN 47 1.463 34.316 23.541 1.00 0.00 ATOM 387 O ASN 47 1.726 38.823 24.565 1.00 0.00 ATOM 388 C ASN 47 0.611 38.294 24.470 1.00 0.00 ATOM 389 N ASP 48 -0.296 38.952 25.156 1.00 0.00 ATOM 390 CA ASP 48 -0.581 40.396 25.061 1.00 0.00 ATOM 391 CB ASP 48 -2.019 40.628 24.590 1.00 0.00 ATOM 392 CG ASP 48 -2.340 42.098 24.400 1.00 0.00 ATOM 393 OD1 ASP 48 -1.495 42.942 24.766 1.00 0.00 ATOM 394 OD2 ASP 48 -3.434 42.404 23.885 1.00 0.00 ATOM 395 O ASP 48 -0.899 40.566 27.418 1.00 0.00 ATOM 396 C ASP 48 -0.407 41.070 26.411 1.00 0.00 ATOM 397 N VAL 49 0.522 42.020 26.478 1.00 0.00 ATOM 398 CA VAL 49 0.778 42.723 27.722 1.00 0.00 ATOM 399 CB VAL 49 2.189 42.422 28.262 1.00 0.00 ATOM 400 CG1 VAL 49 2.464 43.237 29.515 1.00 0.00 ATOM 401 CG2 VAL 49 2.322 40.947 28.608 1.00 0.00 ATOM 402 O VAL 49 0.579 44.639 26.320 1.00 0.00 ATOM 403 C VAL 49 0.656 44.222 27.474 1.00 0.00 ATOM 404 N GLU 50 0.297 44.958 28.523 1.00 0.00 ATOM 405 CA GLU 50 0.204 46.407 28.391 1.00 0.00 ATOM 406 CB GLU 50 -1.285 46.829 28.406 1.00 0.00 ATOM 407 CG GLU 50 -1.557 48.269 28.011 1.00 0.00 ATOM 408 CD GLU 50 -3.038 48.589 27.973 1.00 0.00 ATOM 409 OE1 GLU 50 -3.775 47.903 27.234 1.00 0.00 ATOM 410 OE2 GLU 50 -3.467 49.526 28.681 1.00 0.00 ATOM 411 O GLU 50 0.864 47.108 30.570 1.00 0.00 ATOM 412 C GLU 50 1.153 47.076 29.371 1.00 0.00 ATOM 413 N LEU 51 2.097 47.842 28.832 1.00 0.00 ATOM 414 CA LEU 51 3.060 48.593 29.644 1.00 0.00 ATOM 415 CB LEU 51 4.399 48.708 28.916 1.00 0.00 ATOM 416 CG LEU 51 5.115 47.392 28.602 1.00 0.00 ATOM 417 CD1 LEU 51 6.381 47.646 27.799 1.00 0.00 ATOM 418 CD2 LEU 51 5.500 46.670 29.884 1.00 0.00 ATOM 419 O LEU 51 1.980 50.605 28.938 1.00 0.00 ATOM 420 C LEU 51 2.473 49.979 29.877 1.00 0.00 ATOM 421 N SER 52 2.363 50.375 31.136 1.00 0.00 ATOM 422 CA SER 52 1.826 51.691 31.454 1.00 0.00 ATOM 423 CB SER 52 0.605 51.565 32.367 1.00 0.00 ATOM 424 OG SER 52 0.105 52.842 32.729 1.00 0.00 ATOM 425 O SER 52 3.423 52.119 33.168 1.00 0.00 ATOM 426 C SER 52 2.869 52.535 32.161 1.00 0.00 ATOM 427 N ALA 53 3.017 53.770 31.706 1.00 0.00 ATOM 428 CA ALA 53 3.970 54.675 32.318 1.00 0.00 ATOM 429 CB ALA 53 5.191 54.881 31.449 1.00 0.00 ATOM 430 O ALA 53 2.604 56.501 31.637 1.00 0.00 ATOM 431 C ALA 53 3.314 56.023 32.521 1.00 0.00 ATOM 432 N LEU 54 3.423 56.570 33.727 1.00 0.00 ATOM 433 CA LEU 54 2.835 57.877 34.014 1.00 0.00 ATOM 434 CB LEU 54 1.872 57.772 35.207 1.00 0.00 ATOM 435 CG LEU 54 1.320 59.088 35.746 1.00 0.00 ATOM 436 CD1 LEU 54 0.369 59.705 34.691 1.00 0.00 ATOM 437 CD2 LEU 54 0.566 58.853 37.058 1.00 0.00 ATOM 438 O LEU 54 4.769 58.490 35.299 1.00 0.00 ATOM 439 C LEU 54 3.916 58.847 34.489 1.00 0.00 ATOM 440 N GLY 55 3.737 60.155 33.900 1.00 0.00 ATOM 441 CA GLY 55 4.681 61.167 34.334 1.00 0.00 ATOM 442 O GLY 55 6.247 60.557 32.637 1.00 0.00 ATOM 443 C GLY 55 6.077 60.931 33.796 1.00 0.00 ATOM 444 N MET 56 7.069 61.024 34.678 1.00 0.00 ATOM 445 CA MET 56 8.457 60.837 34.279 1.00 0.00 ATOM 446 CB MET 56 9.415 61.297 35.461 1.00 0.00 ATOM 447 CG MET 56 10.891 61.045 35.236 1.00 0.00 ATOM 448 SD MET 56 11.397 59.402 35.711 1.00 0.00 ATOM 449 CE MET 56 11.406 59.612 37.508 1.00 0.00 ATOM 450 O MET 56 9.513 59.151 32.954 1.00 0.00 ATOM 451 C MET 56 8.732 59.389 33.869 1.00 0.00 ATOM 452 N ALA 57 7.892 58.472 34.336 1.00 0.00 ATOM 453 CA ALA 57 8.060 57.062 34.007 1.00 0.00 ATOM 454 CB ALA 57 7.233 56.196 34.945 1.00 0.00 ATOM 455 O ALA 57 7.797 55.576 32.151 1.00 0.00 ATOM 456 C ALA 57 7.759 56.748 32.534 1.00 0.00 ATOM 457 N ILE 58 7.042 57.685 31.888 1.00 0.00 ATOM 458 CA ILE 58 6.723 57.493 30.475 1.00 0.00 ATOM 459 CB ILE 58 5.958 58.723 29.914 1.00 0.00 ATOM 460 CG1 ILE 58 4.572 58.823 30.550 1.00 0.00 ATOM 461 CG2 ILE 58 5.815 58.629 28.402 1.00 0.00 ATOM 462 CD1 ILE 58 3.905 60.160 30.288 1.00 0.00 ATOM 463 O ILE 58 7.832 56.534 28.573 1.00 0.00 ATOM 464 C ILE 58 7.952 57.190 29.608 1.00 0.00 ATOM 465 N ALA 59 9.018 57.955 29.826 1.00 0.00 ATOM 466 CA ALA 59 10.246 57.720 29.079 1.00 0.00 ATOM 467 CB ALA 59 11.311 58.716 29.461 1.00 0.00 ATOM 468 O ALA 59 11.291 55.651 28.439 1.00 0.00 ATOM 469 C ALA 59 10.761 56.304 29.337 1.00 0.00 ATOM 470 N THR 60 10.648 55.888 30.577 1.00 0.00 ATOM 471 CA THR 60 11.105 54.559 30.964 1.00 0.00 ATOM 472 CB THR 60 11.048 54.388 32.491 1.00 0.00 ATOM 473 CG2 THR 60 11.310 52.942 32.874 1.00 0.00 ATOM 474 OG1 THR 60 12.037 55.227 33.099 1.00 0.00 ATOM 475 O THR 60 10.827 52.418 29.922 1.00 0.00 ATOM 476 C THR 60 10.287 53.480 30.243 1.00 0.00 ATOM 477 N VAL 61 8.970 53.664 30.157 1.00 0.00 ATOM 478 CA VAL 61 8.115 52.681 29.483 1.00 0.00 ATOM 479 CB VAL 61 6.641 53.079 29.411 1.00 0.00 ATOM 480 CG1 VAL 61 6.400 54.176 28.391 1.00 0.00 ATOM 481 CG2 VAL 61 5.808 51.858 29.105 1.00 0.00 ATOM 482 O VAL 61 8.496 51.360 27.505 1.00 0.00 ATOM 483 C VAL 61 8.568 52.477 28.039 1.00 0.00 ATOM 484 N VAL 62 8.910 53.562 27.360 1.00 0.00 ATOM 485 CA VAL 62 9.382 53.439 25.983 1.00 0.00 ATOM 486 CB VAL 62 9.589 54.820 25.331 1.00 0.00 ATOM 487 CG1 VAL 62 10.254 54.671 23.971 1.00 0.00 ATOM 488 CG2 VAL 62 8.253 55.522 25.137 1.00 0.00 ATOM 489 O VAL 62 11.017 51.928 25.073 1.00 0.00 ATOM 490 C VAL 62 10.714 52.687 25.999 1.00 0.00 ATOM 491 N THR 63 11.563 52.991 26.977 1.00 0.00 ATOM 492 CA THR 63 12.845 52.301 27.084 1.00 0.00 ATOM 493 CB THR 63 13.679 52.803 28.266 1.00 0.00 ATOM 494 CG2 THR 63 15.087 52.233 28.211 1.00 0.00 ATOM 495 OG1 THR 63 13.770 54.231 28.198 1.00 0.00 ATOM 496 O THR 63 13.336 49.994 26.631 1.00 0.00 ATOM 497 C THR 63 12.625 50.797 27.230 1.00 0.00 ATOM 498 N VAL 64 11.634 50.411 28.028 1.00 0.00 ATOM 499 CA VAL 64 11.366 48.988 28.202 1.00 0.00 ATOM 500 CB VAL 64 10.281 48.757 29.332 1.00 0.00 ATOM 501 CG1 VAL 64 9.927 47.271 29.476 1.00 0.00 ATOM 502 CG2 VAL 64 10.802 49.266 30.668 1.00 0.00 ATOM 503 O VAL 64 11.371 47.263 26.546 1.00 0.00 ATOM 504 C VAL 64 10.954 48.373 26.872 1.00 0.00 ATOM 505 N THR 65 10.052 49.034 26.153 1.00 0.00 ATOM 506 CA THR 65 9.622 48.512 24.870 1.00 0.00 ATOM 507 CB THR 65 8.474 49.425 24.264 1.00 0.00 ATOM 508 CG2 THR 65 7.922 48.867 22.950 1.00 0.00 ATOM 509 OG1 THR 65 7.393 49.516 25.198 1.00 0.00 ATOM 510 O THR 65 10.815 47.405 23.089 1.00 0.00 ATOM 511 C THR 65 10.760 48.379 23.843 1.00 0.00 ATOM 512 N GLU 66 11.653 49.328 23.844 1.00 0.00 ATOM 513 CA GLU 66 12.771 49.280 22.912 1.00 0.00 ATOM 514 CB GLU 66 13.631 50.545 22.978 1.00 0.00 ATOM 515 CG GLU 66 12.977 51.772 22.365 1.00 0.00 ATOM 516 CD GLU 66 13.801 53.029 22.558 1.00 0.00 ATOM 517 OE1 GLU 66 14.847 52.955 23.235 1.00 0.00 ATOM 518 OE2 GLU 66 13.401 54.088 22.031 1.00 0.00 ATOM 519 O GLU 66 14.166 47.431 22.293 1.00 0.00 ATOM 520 C GLU 66 13.687 48.100 23.210 1.00 0.00 ATOM 521 N ILE 67 13.954 47.861 24.510 1.00 0.00 ATOM 522 CA ILE 67 14.809 46.759 24.935 1.00 0.00 ATOM 523 CB ILE 67 15.051 46.798 26.456 1.00 0.00 ATOM 524 CG1 ILE 67 15.896 48.018 26.831 1.00 0.00 ATOM 525 CG2 ILE 67 15.785 45.545 26.911 1.00 0.00 ATOM 526 CD1 ILE 67 15.961 48.281 28.319 1.00 0.00 ATOM 527 O ILE 67 14.804 44.525 24.046 1.00 0.00 ATOM 528 C ILE 67 14.144 45.446 24.527 1.00 0.00 ATOM 529 N LEU 68 12.838 45.374 24.766 1.00 0.00 ATOM 530 CA LEU 68 12.061 44.191 24.407 1.00 0.00 ATOM 531 CB LEU 68 10.589 44.340 24.773 1.00 0.00 ATOM 532 CG LEU 68 9.710 43.144 24.385 1.00 0.00 ATOM 533 CD1 LEU 68 10.113 41.935 25.212 1.00 0.00 ATOM 534 CD2 LEU 68 8.245 43.466 24.601 1.00 0.00 ATOM 535 O LEU 68 12.462 42.834 22.477 1.00 0.00 ATOM 536 C LEU 68 12.158 43.952 22.909 1.00 0.00 ATOM 537 N LYS 69 11.994 45.016 22.132 1.00 0.00 ATOM 538 CA LYS 69 12.066 44.917 20.679 1.00 0.00 ATOM 539 CB LYS 69 11.664 46.232 20.024 1.00 0.00 ATOM 540 CG LYS 69 11.607 46.133 18.507 1.00 0.00 ATOM 541 CD LYS 69 10.976 47.357 17.887 1.00 0.00 ATOM 542 CE LYS 69 10.924 47.222 16.379 1.00 0.00 ATOM 543 NZ LYS 69 10.164 48.334 15.758 1.00 0.00 ATOM 544 O LYS 69 13.564 43.653 19.308 1.00 0.00 ATOM 545 C LYS 69 13.451 44.476 20.218 1.00 0.00 ATOM 546 N ASN 70 14.503 44.950 20.887 1.00 0.00 ATOM 547 CA ASN 70 15.848 44.564 20.476 1.00 0.00 ATOM 548 CB ASN 70 16.895 45.297 21.317 1.00 0.00 ATOM 549 CG ASN 70 17.010 46.765 20.955 1.00 0.00 ATOM 550 ND2 ASN 70 17.564 47.556 21.865 1.00 0.00 ATOM 551 OD1 ASN 70 16.602 47.180 19.869 1.00 0.00 ATOM 552 O ASN 70 16.545 42.426 19.713 1.00 0.00 ATOM 553 C ASN 70 16.080 43.071 20.643 1.00 0.00 ATOM 554 N ASN 71 15.531 42.463 21.688 1.00 0.00 ATOM 555 CA ASN 71 15.798 41.044 21.842 1.00 0.00 ATOM 556 CB ASN 71 15.874 40.672 23.326 1.00 0.00 ATOM 557 CG ASN 71 17.082 41.271 24.014 1.00 0.00 ATOM 558 ND2 ASN 71 16.979 41.464 25.326 1.00 0.00 ATOM 559 OD1 ASN 71 18.095 41.558 23.377 1.00 0.00 ATOM 560 O ASN 71 15.289 39.488 20.307 1.00 0.00 ATOM 561 C ASN 71 14.769 40.098 21.240 1.00 0.00 ATOM 562 N GLY 72 13.576 40.595 20.924 1.00 0.00 ATOM 563 CA GLY 72 12.545 39.744 20.318 1.00 0.00 ATOM 564 O GLY 72 12.312 39.048 18.084 1.00 0.00 ATOM 565 C GLY 72 12.319 40.031 18.833 1.00 0.00 ATOM 566 N PHE 73 12.794 41.185 18.375 1.00 0.00 ATOM 567 CA PHE 73 12.644 41.569 16.979 1.00 0.00 ATOM 568 CB PHE 73 13.569 40.734 16.091 1.00 0.00 ATOM 569 CG PHE 73 15.030 40.930 16.384 1.00 0.00 ATOM 570 CD1 PHE 73 15.744 39.976 17.085 1.00 0.00 ATOM 571 CD2 PHE 73 15.690 42.069 15.955 1.00 0.00 ATOM 572 CE1 PHE 73 17.089 40.156 17.355 1.00 0.00 ATOM 573 CE2 PHE 73 17.032 42.249 16.223 1.00 0.00 ATOM 574 CZ PHE 73 17.732 41.300 16.920 1.00 0.00 ATOM 575 O PHE 73 10.281 41.954 16.929 1.00 0.00 ATOM 576 C PHE 73 11.248 41.394 16.413 1.00 0.00 ATOM 577 N ALA 74 11.150 40.637 15.320 1.00 0.00 ATOM 578 CA ALA 74 9.868 40.374 14.673 1.00 0.00 ATOM 579 CB ALA 74 9.978 39.510 13.490 1.00 0.00 ATOM 580 O ALA 74 7.703 39.868 15.550 1.00 0.00 ATOM 581 C ALA 74 8.912 39.646 15.613 1.00 0.00 ATOM 582 N VAL 75 9.440 39.034 16.652 1.00 0.00 ATOM 583 CA VAL 75 8.625 38.291 17.606 1.00 0.00 ATOM 584 CB VAL 75 9.496 37.517 18.613 1.00 0.00 ATOM 585 CG1 VAL 75 10.090 38.466 19.644 1.00 0.00 ATOM 586 CG2 VAL 75 8.668 36.469 19.342 1.00 0.00 ATOM 587 O VAL 75 6.733 38.507 19.060 1.00 0.00 ATOM 588 C VAL 75 7.666 39.079 18.486 1.00 0.00 ATOM 589 N GLU 76 7.820 40.398 18.527 1.00 0.00 ATOM 590 CA GLU 76 6.922 41.228 19.324 1.00 0.00 ATOM 591 CB GLU 76 7.644 41.757 20.568 1.00 0.00 ATOM 592 CG GLU 76 8.131 40.667 21.510 1.00 0.00 ATOM 593 CD GLU 76 7.006 40.056 22.324 1.00 0.00 ATOM 594 OE1 GLU 76 5.880 40.594 22.281 1.00 0.00 ATOM 595 OE2 GLU 76 7.252 39.039 23.006 1.00 0.00 ATOM 596 O GLU 76 7.181 42.831 17.568 1.00 0.00 ATOM 597 C GLU 76 6.458 42.405 18.476 1.00 0.00 ATOM 598 N LYS 77 5.195 42.773 18.644 1.00 0.00 ATOM 599 CA LYS 77 4.648 43.901 17.893 1.00 0.00 ATOM 600 CB LYS 77 3.577 43.391 16.927 1.00 0.00 ATOM 601 CG LYS 77 4.113 42.496 15.823 1.00 0.00 ATOM 602 CD LYS 77 3.006 42.060 14.877 1.00 0.00 ATOM 603 CE LYS 77 3.529 41.110 13.813 1.00 0.00 ATOM 604 NZ LYS 77 2.454 40.675 12.880 1.00 0.00 ATOM 605 O LYS 77 3.437 44.553 19.860 1.00 0.00 ATOM 606 C LYS 77 4.006 44.911 18.824 1.00 0.00 ATOM 607 N LYS 78 4.222 46.183 18.524 1.00 0.00 ATOM 608 CA LYS 78 3.615 47.250 19.295 1.00 0.00 ATOM 609 CB LYS 78 4.653 48.401 19.458 1.00 0.00 ATOM 610 CG LYS 78 4.230 49.596 20.290 1.00 0.00 ATOM 611 CD LYS 78 5.152 50.783 20.016 1.00 0.00 ATOM 612 CE LYS 78 4.981 51.897 21.050 1.00 0.00 ATOM 613 NZ LYS 78 5.423 51.460 22.408 1.00 0.00 ATOM 614 O LYS 78 2.176 48.112 17.585 1.00 0.00 ATOM 615 C LYS 78 2.291 47.379 18.568 1.00 0.00 ATOM 616 N ILE 79 1.210 46.954 19.242 1.00 0.00 ATOM 617 CA ILE 79 -0.121 46.990 18.649 1.00 0.00 ATOM 618 CB ILE 79 -1.149 46.250 19.525 1.00 0.00 ATOM 619 CG1 ILE 79 -0.832 44.754 19.570 1.00 0.00 ATOM 620 CG2 ILE 79 -2.553 46.429 18.967 1.00 0.00 ATOM 621 CD1 ILE 79 -1.618 43.995 20.617 1.00 0.00 ATOM 622 O ILE 79 -0.843 48.913 17.415 1.00 0.00 ATOM 623 C ILE 79 -0.534 48.451 18.513 1.00 0.00 ATOM 624 N MET 80 -0.509 49.184 19.622 1.00 0.00 ATOM 625 CA MET 80 -0.881 50.597 19.593 1.00 0.00 ATOM 626 CB MET 80 -2.396 50.755 19.726 1.00 0.00 ATOM 627 CG MET 80 -2.953 50.290 21.061 1.00 0.00 ATOM 628 SD MET 80 -4.738 50.504 21.183 1.00 0.00 ATOM 629 CE MET 80 -4.860 52.289 21.276 1.00 0.00 ATOM 630 O MET 80 0.259 50.724 21.731 1.00 0.00 ATOM 631 C MET 80 -0.199 51.338 20.755 1.00 0.00 ATOM 632 N THR 81 -0.336 52.671 20.664 1.00 0.00 ATOM 633 CA THR 81 0.086 53.534 21.732 1.00 0.00 ATOM 634 CB THR 81 1.286 54.417 21.320 1.00 0.00 ATOM 635 CG2 THR 81 1.761 55.199 22.515 1.00 0.00 ATOM 636 OG1 THR 81 2.317 53.601 20.823 1.00 0.00 ATOM 637 O THR 81 -1.610 55.176 21.328 1.00 0.00 ATOM 638 C THR 81 -1.046 54.458 22.153 1.00 0.00 ATOM 639 N SER 82 -1.322 54.496 23.453 1.00 0.00 ATOM 640 CA SER 82 -2.378 55.342 23.981 1.00 0.00 ATOM 641 CB SER 82 -3.485 54.492 24.607 1.00 0.00 ATOM 642 OG SER 82 -4.495 55.308 25.177 1.00 0.00 ATOM 643 O SER 82 -1.469 55.848 26.134 1.00 0.00 ATOM 644 C SER 82 -1.850 56.286 25.050 1.00 0.00 ATOM 645 N ILE 83 -2.043 57.582 24.827 1.00 0.00 ATOM 646 CA ILE 83 -1.598 58.599 25.769 1.00 0.00 ATOM 647 CB ILE 83 -0.947 59.792 25.043 1.00 0.00 ATOM 648 CG1 ILE 83 0.280 59.330 24.253 1.00 0.00 ATOM 649 CG2 ILE 83 -0.506 60.847 26.046 1.00 0.00 ATOM 650 CD1 ILE 83 0.849 60.391 23.337 1.00 0.00 ATOM 651 O ILE 83 -3.875 59.358 25.888 1.00 0.00 ATOM 652 C ILE 83 -2.851 59.050 26.515 1.00 0.00 ATOM 653 N VAL 84 -2.850 58.891 27.831 1.00 0.00 ATOM 654 CA VAL 84 -3.991 59.320 28.640 1.00 0.00 ATOM 655 CB VAL 84 -4.786 58.146 29.233 1.00 0.00 ATOM 656 CG1 VAL 84 -5.463 57.324 28.138 1.00 0.00 ATOM 657 CG2 VAL 84 -3.870 57.254 30.068 1.00 0.00 ATOM 658 O VAL 84 -2.327 60.537 29.760 1.00 0.00 ATOM 659 C VAL 84 -3.526 60.222 29.773 1.00 0.00 ATOM 660 N ASP 85 -4.407 61.145 30.154 1.00 0.00 ATOM 661 CA ASP 85 -4.167 62.044 31.273 1.00 0.00 ATOM 662 CB ASP 85 -4.668 63.424 30.929 1.00 0.00 ATOM 663 CG ASP 85 -4.461 64.390 32.094 1.00 0.00 ATOM 664 OD1 ASP 85 -3.918 63.898 33.095 1.00 0.00 ATOM 665 OD2 ASP 85 -4.820 65.591 31.903 1.00 0.00 ATOM 666 O ASP 85 -6.262 61.249 32.104 1.00 0.00 ATOM 667 C ASP 85 -5.090 61.516 32.363 1.00 0.00 ATOM 668 N ILE 86 -4.530 61.227 33.535 1.00 0.00 ATOM 669 CA ILE 86 -5.331 60.700 34.635 1.00 0.00 ATOM 670 CB ILE 86 -5.092 59.192 34.837 1.00 0.00 ATOM 671 CG1 ILE 86 -3.619 58.923 35.149 1.00 0.00 ATOM 672 CG2 ILE 86 -5.466 58.420 33.580 1.00 0.00 ATOM 673 CD1 ILE 86 -3.333 57.496 35.560 1.00 0.00 ATOM 674 O ILE 86 -4.036 62.068 36.145 1.00 0.00 ATOM 675 C ILE 86 -5.045 61.355 35.987 1.00 0.00 ATOM 676 N LYS 87 -5.977 61.144 36.934 1.00 0.00 ATOM 677 CA LYS 87 -5.824 61.726 38.268 1.00 0.00 ATOM 678 CB LYS 87 -7.184 62.147 38.829 1.00 0.00 ATOM 679 CG LYS 87 -7.113 62.817 40.192 1.00 0.00 ATOM 680 CD LYS 87 -8.495 63.211 40.686 1.00 0.00 ATOM 681 CE LYS 87 -8.422 63.900 42.040 1.00 0.00 ATOM 682 NZ LYS 87 -9.768 64.297 42.535 1.00 0.00 ATOM 683 O LYS 87 -5.621 59.560 39.216 1.00 0.00 ATOM 684 C LYS 87 -5.204 60.718 39.223 1.00 0.00 ATOM 685 N ASP 88 -3.977 60.980 39.656 1.00 0.00 ATOM 686 CA ASP 88 -3.328 60.105 40.620 1.00 0.00 ATOM 687 CB ASP 88 -1.896 59.795 40.181 1.00 0.00 ATOM 688 CG ASP 88 -1.200 58.816 41.108 1.00 0.00 ATOM 689 OD1 ASP 88 -1.806 58.434 42.131 1.00 0.00 ATOM 690 OD2 ASP 88 -0.050 58.433 40.813 1.00 0.00 ATOM 691 O ASP 88 -4.235 60.666 42.770 1.00 0.00 ATOM 692 C ASP 88 -3.268 60.749 42.008 1.00 0.00 ATOM 693 N ASP 89 -2.085 61.514 42.338 1.00 0.00 ATOM 694 CA ASP 89 -1.984 62.136 43.661 1.00 0.00 ATOM 695 CB ASP 89 -0.595 62.741 43.864 1.00 0.00 ATOM 696 CG ASP 89 -0.413 63.332 45.249 1.00 0.00 ATOM 697 OD1 ASP 89 -1.377 63.293 46.042 1.00 0.00 ATOM 698 OD2 ASP 89 0.693 63.832 45.539 1.00 0.00 ATOM 699 O ASP 89 -4.183 62.864 43.686 1.00 0.00 ATOM 700 C ASP 89 -3.018 63.246 43.819 1.00 0.00 ATOM 701 N ALA 90 -2.731 64.416 43.250 1.00 0.00 ATOM 702 CA ALA 90 -3.639 65.556 43.362 1.00 0.00 ATOM 703 CB ALA 90 -3.352 66.356 44.596 1.00 0.00 ATOM 704 O ALA 90 -4.464 67.393 42.097 1.00 0.00 ATOM 705 C ALA 90 -3.650 66.469 42.157 1.00 0.00 ATOM 706 N ARG 91 -2.964 66.034 41.087 1.00 0.00 ATOM 707 CA ARG 91 -2.935 66.812 39.846 1.00 0.00 ATOM 708 CB ARG 91 -1.664 67.637 39.616 1.00 0.00 ATOM 709 CG ARG 91 -1.414 68.710 40.659 1.00 0.00 ATOM 710 CD ARG 91 -0.030 69.336 40.529 1.00 0.00 ATOM 711 NE ARG 91 1.044 68.416 40.908 1.00 0.00 ATOM 712 CZ ARG 91 1.567 67.487 40.110 1.00 0.00 ATOM 713 NH1 ARG 91 1.125 67.343 38.864 1.00 0.00 ATOM 714 NH2 ARG 91 2.532 66.697 40.558 1.00 0.00 ATOM 715 O ARG 91 -2.476 64.698 38.815 1.00 0.00 ATOM 716 C ARG 91 -2.897 65.846 38.672 1.00 0.00 ATOM 717 N GLY 92 -3.440 66.287 37.540 1.00 0.00 ATOM 718 CA GLY 92 -3.485 65.472 36.334 1.00 0.00 ATOM 719 O GLY 92 -1.173 65.897 36.049 1.00 0.00 ATOM 720 C GLY 92 -2.091 65.087 35.851 1.00 0.00 ATOM 721 N ARG 93 -1.856 63.794 35.706 1.00 0.00 ATOM 722 CA ARG 93 -0.567 63.275 35.295 1.00 0.00 ATOM 723 CB ARG 93 0.063 62.424 36.401 1.00 0.00 ATOM 724 CG ARG 93 0.308 63.179 37.693 1.00 0.00 ATOM 725 CD ARG 93 0.873 62.289 38.805 1.00 0.00 ATOM 726 NE ARG 93 1.366 63.232 39.802 1.00 0.00 ATOM 727 CZ ARG 93 1.894 62.866 40.960 1.00 0.00 ATOM 728 NH1 ARG 93 2.026 61.571 41.317 1.00 0.00 ATOM 729 NH2 ARG 93 2.303 63.857 41.743 1.00 0.00 ATOM 730 O ARG 93 -1.644 61.651 33.913 1.00 0.00 ATOM 731 C ARG 93 -0.781 62.525 33.985 1.00 0.00 ATOM 732 N PRO 94 0.192 62.621 33.089 1.00 0.00 ATOM 733 CA PRO 94 0.107 61.972 31.790 1.00 0.00 ATOM 734 CB PRO 94 0.983 62.850 30.847 1.00 0.00 ATOM 735 CG PRO 94 2.059 63.352 31.791 1.00 0.00 ATOM 736 CD PRO 94 1.476 63.366 33.190 1.00 0.00 ATOM 737 O PRO 94 1.689 60.297 32.198 1.00 0.00 ATOM 738 C PRO 94 0.530 60.520 31.864 1.00 0.00 ATOM 739 N VAL 95 -0.132 59.679 31.073 1.00 0.00 ATOM 740 CA VAL 95 0.182 58.276 30.995 1.00 0.00 ATOM 741 CB VAL 95 -1.053 57.373 31.401 1.00 0.00 ATOM 742 CG1 VAL 95 -0.799 55.856 31.225 1.00 0.00 ATOM 743 CG2 VAL 95 -1.520 57.656 32.843 1.00 0.00 ATOM 744 O VAL 95 0.182 58.551 28.564 1.00 0.00 ATOM 745 C VAL 95 0.590 57.930 29.583 1.00 0.00 ATOM 746 N GLN 96 0.887 56.564 29.300 1.00 0.00 ATOM 747 CA GLN 96 1.019 55.934 27.992 1.00 0.00 ATOM 748 CB GLN 96 2.434 56.125 27.445 1.00 0.00 ATOM 749 CG GLN 96 2.658 55.514 26.071 1.00 0.00 ATOM 750 CD GLN 96 4.041 55.804 25.523 1.00 0.00 ATOM 751 OE1 GLN 96 4.871 56.414 26.198 1.00 0.00 ATOM 752 NE2 GLN 96 4.294 55.363 24.296 1.00 0.00 ATOM 753 O GLN 96 1.206 53.812 29.079 1.00 0.00 ATOM 754 C GLN 96 0.730 54.442 28.142 1.00 0.00 ATOM 755 N LYS 97 0.138 53.845 27.114 1.00 0.00 ATOM 756 CA LYS 97 -0.173 52.422 27.145 1.00 0.00 ATOM 757 CB LYS 97 -1.645 52.168 27.150 1.00 0.00 ATOM 758 CG LYS 97 -2.437 52.390 28.434 1.00 0.00 ATOM 759 CD LYS 97 -3.914 52.272 28.100 1.00 0.00 ATOM 760 CE LYS 97 -4.915 52.440 29.216 1.00 0.00 ATOM 761 NZ LYS 97 -6.253 51.880 28.816 1.00 0.00 ATOM 762 O LYS 97 0.269 52.454 24.781 1.00 0.00 ATOM 763 C LYS 97 0.446 51.877 25.858 1.00 0.00 ATOM 764 N ALA 98 1.217 50.834 26.001 1.00 0.00 ATOM 765 CA ALA 98 1.859 50.183 24.859 1.00 0.00 ATOM 766 CB ALA 98 3.365 50.301 24.978 1.00 0.00 ATOM 767 O ALA 98 1.449 48.079 25.897 1.00 0.00 ATOM 768 C ALA 98 1.314 48.760 24.880 1.00 0.00 ATOM 769 N LYS 99 0.446 48.432 23.928 1.00 0.00 ATOM 770 CA LYS 99 -0.123 47.091 23.883 1.00 0.00 ATOM 771 CB LYS 99 -1.444 47.245 23.118 1.00 0.00 ATOM 772 CG LYS 99 -2.277 45.987 23.240 1.00 0.00 ATOM 773 CD LYS 99 -3.702 46.375 22.811 1.00 0.00 ATOM 774 CE LYS 99 -4.761 45.404 23.208 1.00 0.00 ATOM 775 NZ LYS 99 -6.057 45.832 22.568 1.00 0.00 ATOM 776 O LYS 99 1.367 46.764 22.092 1.00 0.00 ATOM 777 C LYS 99 0.760 46.219 23.013 1.00 0.00 ATOM 778 N ILE 100 1.250 45.143 23.615 1.00 0.00 ATOM 779 CA ILE 100 2.158 44.237 22.944 1.00 0.00 ATOM 780 CB ILE 100 3.454 44.064 23.769 1.00 0.00 ATOM 781 CG1 ILE 100 4.171 45.417 23.912 1.00 0.00 ATOM 782 CG2 ILE 100 4.359 43.030 23.127 1.00 0.00 ATOM 783 CD1 ILE 100 5.320 45.412 24.948 1.00 0.00 ATOM 784 O ILE 100 1.030 42.245 23.627 1.00 0.00 ATOM 785 C ILE 100 1.526 42.875 22.687 1.00 0.00 ATOM 786 N GLU 101 1.854 42.300 21.541 1.00 0.00 ATOM 787 CA GLU 101 1.360 40.975 21.185 1.00 0.00 ATOM 788 CB GLU 101 0.522 41.036 19.906 1.00 0.00 ATOM 789 CG GLU 101 0.211 39.669 19.317 1.00 0.00 ATOM 790 CD GLU 101 -0.741 39.737 18.134 1.00 0.00 ATOM 791 OE1 GLU 101 -0.496 40.543 17.210 1.00 0.00 ATOM 792 OE2 GLU 101 -1.727 38.973 18.123 1.00 0.00 ATOM 793 O GLU 101 3.562 40.685 20.377 1.00 0.00 ATOM 794 C GLU 101 2.548 40.112 20.783 1.00 0.00 ATOM 795 N ILE 102 2.665 38.929 21.383 1.00 0.00 ATOM 796 CA ILE 102 3.735 38.019 21.022 1.00 0.00 ATOM 797 CB ILE 102 3.925 36.873 21.992 1.00 0.00 ATOM 798 CG1 ILE 102 4.512 37.451 23.285 1.00 0.00 ATOM 799 CG2 ILE 102 4.834 35.807 21.395 1.00 0.00 ATOM 800 CD1 ILE 102 4.298 36.515 24.466 1.00 0.00 ATOM 801 O ILE 102 2.005 37.095 19.670 1.00 0.00 ATOM 802 C ILE 102 3.212 37.336 19.760 1.00 0.00 ATOM 803 N THR 103 4.012 37.332 18.701 1.00 0.00 ATOM 804 CA THR 103 3.599 36.713 17.439 1.00 0.00 ATOM 805 CB THR 103 3.705 37.735 16.284 1.00 0.00 ATOM 806 CG2 THR 103 3.125 37.117 15.028 1.00 0.00 ATOM 807 OG1 THR 103 2.974 38.929 16.660 1.00 0.00 ATOM 808 O THR 103 5.723 35.625 17.208 1.00 0.00 ATOM 809 C THR 103 4.512 35.578 17.007 1.00 0.00 ATOM 810 N LEU 104 3.918 34.555 16.400 1.00 0.00 ATOM 811 CA LEU 104 4.665 33.389 15.942 1.00 0.00 ATOM 812 CB LEU 104 3.927 32.101 16.311 1.00 0.00 ATOM 813 CG LEU 104 3.702 31.851 17.804 1.00 0.00 ATOM 814 CD1 LEU 104 2.889 30.586 18.021 1.00 0.00 ATOM 815 CD2 LEU 104 5.031 31.696 18.528 1.00 0.00 ATOM 816 O LEU 104 3.790 33.643 13.735 1.00 0.00 ATOM 817 C LEU 104 4.793 33.502 14.430 1.00 0.00 ATOM 818 N VAL 105 5.987 33.234 13.911 1.00 0.00 ATOM 819 CA VAL 105 6.220 33.339 12.478 1.00 0.00 ATOM 820 CB VAL 105 7.098 34.548 12.084 1.00 0.00 ATOM 821 CG1 VAL 105 7.093 34.723 10.567 1.00 0.00 ATOM 822 CG2 VAL 105 6.609 35.827 12.760 1.00 0.00 ATOM 823 O VAL 105 7.829 31.576 12.437 1.00 0.00 ATOM 824 C VAL 105 6.829 32.069 11.906 1.00 0.00 ATOM 825 N LYS 106 6.385 31.745 10.681 1.00 0.00 ATOM 826 CA LYS 106 6.889 30.551 10.009 1.00 0.00 ATOM 827 CB LYS 106 5.769 29.869 9.220 1.00 0.00 ATOM 828 CG LYS 106 4.648 29.318 10.084 1.00 0.00 ATOM 829 CD LYS 106 3.563 28.672 9.237 1.00 0.00 ATOM 830 CE LYS 106 2.446 28.116 10.103 1.00 0.00 ATOM 831 NZ LYS 106 1.414 27.410 9.292 1.00 0.00 ATOM 832 O LYS 106 8.634 30.041 8.446 1.00 0.00 ATOM 833 C LYS 106 7.999 30.916 9.044 1.00 0.00 ATOM 834 N SER 107 8.220 32.286 8.861 1.00 0.00 ATOM 835 CA SER 107 9.244 32.708 7.919 1.00 0.00 ATOM 836 CB SER 107 9.277 34.241 7.855 1.00 0.00 ATOM 837 OG SER 107 10.214 34.668 6.904 1.00 0.00 ATOM 838 O SER 107 10.554 32.265 9.896 1.00 0.00 ATOM 839 C SER 107 10.538 32.303 8.660 1.00 0.00 ATOM 840 N GLU 108 11.553 31.865 7.903 1.00 0.00 ATOM 841 CA GLU 108 12.801 31.422 8.539 1.00 0.00 ATOM 842 CB GLU 108 13.733 30.785 7.472 1.00 0.00 ATOM 843 CG GLU 108 13.149 29.599 6.709 1.00 0.00 ATOM 844 CD GLU 108 14.216 28.810 5.967 1.00 0.00 ATOM 845 OE1 GLU 108 15.294 29.383 5.701 1.00 0.00 ATOM 846 OE2 GLU 108 13.978 27.622 5.647 1.00 0.00 ATOM 847 O GLU 108 14.071 32.321 10.346 1.00 0.00 ATOM 848 C GLU 108 13.529 32.538 9.264 1.00 0.00 ATOM 849 N LYS 109 13.492 33.741 8.699 1.00 0.00 ATOM 850 CA LYS 109 14.147 34.862 9.367 1.00 0.00 ATOM 851 CB LYS 109 14.045 36.128 8.511 1.00 0.00 ATOM 852 CG LYS 109 14.894 36.094 7.250 1.00 0.00 ATOM 853 CD LYS 109 14.745 37.379 6.451 1.00 0.00 ATOM 854 CE LYS 109 15.574 37.336 5.178 1.00 0.00 ATOM 855 NZ LYS 109 15.413 38.577 4.370 1.00 0.00 ATOM 856 O LYS 109 14.142 34.935 11.727 1.00 0.00 ATOM 857 C LYS 109 13.474 35.117 10.709 1.00 0.00 ATOM 858 N PHE 110 12.157 35.083 10.769 1.00 0.00 ATOM 859 CA PHE 110 11.447 35.338 12.028 1.00 0.00 ATOM 860 CB PHE 110 10.076 36.021 11.696 1.00 0.00 ATOM 861 CG PHE 110 10.196 37.359 11.002 1.00 0.00 ATOM 862 CD1 PHE 110 11.372 38.118 11.094 1.00 0.00 ATOM 863 CD2 PHE 110 9.129 37.864 10.259 1.00 0.00 ATOM 864 CE1 PHE 110 11.480 39.355 10.458 1.00 0.00 ATOM 865 CE2 PHE 110 9.229 39.099 9.622 1.00 0.00 ATOM 866 CZ PHE 110 10.407 39.846 9.722 1.00 0.00 ATOM 867 O PHE 110 11.556 34.411 14.223 1.00 0.00 ATOM 868 C PHE 110 11.479 34.179 13.003 1.00 0.00 ATOM 869 N ASP 111 11.612 32.939 12.554 1.00 0.00 ATOM 870 CA ASP 111 11.766 31.809 13.466 1.00 0.00 ATOM 871 CB ASP 111 11.584 30.518 12.818 1.00 0.00 ATOM 872 CG ASP 111 11.394 29.392 13.809 1.00 0.00 ATOM 873 OD1 ASP 111 10.444 29.455 14.616 1.00 0.00 ATOM 874 OD2 ASP 111 12.182 28.424 13.763 1.00 0.00 ATOM 875 O ASP 111 13.183 31.690 15.394 1.00 0.00 ATOM 876 C ASP 111 13.108 31.880 14.177 1.00 0.00 ATOM 877 N GLU 112 14.130 32.308 13.447 1.00 0.00 ATOM 878 CA GLU 112 15.471 32.448 14.002 1.00 0.00 ATOM 879 CB GLU 112 16.468 32.755 12.906 1.00 0.00 ATOM 880 CG GLU 112 16.676 31.572 12.029 1.00 0.00 ATOM 881 CD GLU 112 17.522 31.873 10.865 1.00 0.00 ATOM 882 OE1 GLU 112 18.142 32.941 10.840 1.00 0.00 ATOM 883 OE2 GLU 112 17.585 31.012 9.977 1.00 0.00 ATOM 884 O GLU 112 16.104 33.407 16.102 1.00 0.00 ATOM 885 C GLU 112 15.454 33.542 15.060 1.00 0.00 ATOM 886 N LEU 113 14.767 34.660 14.783 1.00 0.00 ATOM 887 CA LEU 113 14.700 35.753 15.745 1.00 0.00 ATOM 888 CB LEU 113 14.057 36.996 15.034 1.00 0.00 ATOM 889 CG LEU 113 14.833 37.623 13.875 1.00 0.00 ATOM 890 CD1 LEU 113 14.071 38.848 13.396 1.00 0.00 ATOM 891 CD2 LEU 113 16.252 38.006 14.326 1.00 0.00 ATOM 892 O LEU 113 14.324 35.829 18.105 1.00 0.00 ATOM 893 C LEU 113 13.988 35.342 17.028 1.00 0.00 ATOM 894 N MET 114 12.913 34.573 16.891 1.00 0.00 ATOM 895 CA MET 114 12.159 34.120 18.057 1.00 0.00 ATOM 896 CB MET 114 10.915 33.397 17.574 1.00 0.00 ATOM 897 CG MET 114 9.896 34.378 16.996 1.00 0.00 ATOM 898 SD MET 114 8.231 33.689 16.709 1.00 0.00 ATOM 899 CE MET 114 8.597 32.539 15.425 1.00 0.00 ATOM 900 O MET 114 12.975 33.337 20.176 1.00 0.00 ATOM 901 C MET 114 13.061 33.271 18.947 1.00 0.00 ATOM 902 N ALA 115 13.844 32.393 18.325 1.00 0.00 ATOM 903 CA ALA 115 14.754 31.552 19.094 1.00 0.00 ATOM 904 CB ALA 115 15.451 30.547 18.179 1.00 0.00 ATOM 905 O ALA 115 16.025 32.202 21.014 1.00 0.00 ATOM 906 C ALA 115 15.779 32.407 19.829 1.00 0.00 ATOM 907 N ALA 116 16.263 33.462 19.167 1.00 0.00 ATOM 908 CA ALA 116 17.239 34.350 19.785 1.00 0.00 ATOM 909 CB ALA 116 17.774 35.330 18.725 1.00 0.00 ATOM 910 O ALA 116 17.297 35.290 21.995 1.00 0.00 ATOM 911 C ALA 116 16.643 35.107 20.968 1.00 0.00 ATOM 912 N ALA 117 15.417 35.573 20.817 1.00 0.00 ATOM 913 CA ALA 117 14.765 36.305 21.894 1.00 0.00 ATOM 914 CB ALA 117 13.399 36.809 21.469 1.00 0.00 ATOM 915 O ALA 117 14.914 35.874 24.274 1.00 0.00 ATOM 916 C ALA 117 14.619 35.434 23.150 1.00 0.00 ATOM 917 N ASN 118 14.154 34.209 22.968 1.00 0.00 ATOM 918 CA ASN 118 13.840 33.389 24.119 1.00 0.00 ATOM 919 CB ASN 118 13.134 32.098 23.692 1.00 0.00 ATOM 920 CG ASN 118 11.759 32.359 23.125 1.00 0.00 ATOM 921 ND2 ASN 118 11.232 31.341 22.447 1.00 0.00 ATOM 922 OD1 ASN 118 11.143 33.417 23.300 1.00 0.00 ATOM 923 O ASN 118 15.109 33.097 26.143 1.00 0.00 ATOM 924 C ASN 118 15.100 33.018 24.895 1.00 0.00 ATOM 925 N GLU 119 16.157 32.650 24.197 1.00 0.00 ATOM 926 CA GLU 119 17.414 32.282 24.881 1.00 0.00 ATOM 927 CB GLU 119 18.461 31.816 23.866 1.00 0.00 ATOM 928 CG GLU 119 19.773 31.373 24.490 1.00 0.00 ATOM 929 CD GLU 119 20.774 30.889 23.457 1.00 0.00 ATOM 930 OE1 GLU 119 20.432 30.888 22.255 1.00 0.00 ATOM 931 OE2 GLU 119 21.897 30.511 23.850 1.00 0.00 ATOM 932 O GLU 119 18.390 33.357 26.805 1.00 0.00 ATOM 933 C GLU 119 17.972 33.481 25.657 1.00 0.00 ATOM 934 N GLU 120 18.031 34.594 24.980 1.00 0.00 ATOM 935 CA GLU 120 18.533 35.821 25.596 1.00 0.00 ATOM 936 CB GLU 120 18.642 36.934 24.542 1.00 0.00 ATOM 937 CG GLU 120 19.804 36.724 23.582 1.00 0.00 ATOM 938 CD GLU 120 19.988 37.875 22.611 1.00 0.00 ATOM 939 OE1 GLU 120 19.355 38.932 22.807 1.00 0.00 ATOM 940 OE2 GLU 120 20.773 37.723 21.650 1.00 0.00 ATOM 941 O GLU 120 18.164 36.764 27.786 1.00 0.00 ATOM 942 C GLU 120 17.648 36.252 26.769 1.00 0.00 ATOM 943 N LYS 121 16.338 36.088 26.623 1.00 0.00 ATOM 944 CA LYS 121 15.437 36.425 27.729 1.00 0.00 ATOM 945 CB LYS 121 13.978 36.234 27.312 1.00 0.00 ATOM 946 CG LYS 121 13.483 37.257 26.302 1.00 0.00 ATOM 947 CD LYS 121 12.028 37.008 25.933 1.00 0.00 ATOM 948 CE LYS 121 11.539 38.017 24.906 1.00 0.00 ATOM 949 NZ LYS 121 10.126 37.765 24.510 1.00 0.00 ATOM 950 O LYS 121 15.749 36.013 30.073 1.00 0.00 ATOM 951 C LYS 121 15.735 35.541 28.937 1.00 0.00 ATOM 952 N GLU 122 16.002 34.246 28.686 1.00 0.00 ATOM 953 CA GLU 122 16.307 33.311 29.769 1.00 0.00 ATOM 954 CB GLU 122 16.490 31.896 29.217 1.00 0.00 ATOM 955 CG GLU 122 16.756 30.857 30.292 1.00 0.00 ATOM 956 CD GLU 122 16.723 29.446 29.748 1.00 0.00 ATOM 957 OE1 GLU 122 16.959 29.273 28.536 1.00 0.00 ATOM 958 OE2 GLU 122 16.471 28.512 30.533 1.00 0.00 ATOM 959 O GLU 122 17.590 33.754 31.751 1.00 0.00 ATOM 960 C GLU 122 17.555 33.767 30.519 1.00 0.00 ATOM 961 N ASP 123 18.590 34.180 29.772 1.00 0.00 ATOM 962 CA ASP 123 19.817 34.627 30.416 1.00 0.00 ATOM 963 CB ASP 123 20.905 34.861 29.352 1.00 0.00 ATOM 964 CG ASP 123 21.488 33.562 28.791 1.00 0.00 ATOM 965 OD1 ASP 123 21.268 32.481 29.378 1.00 0.00 ATOM 966 OD2 ASP 123 22.195 33.624 27.757 1.00 0.00 ATOM 967 O ASP 123 20.176 36.165 32.244 1.00 0.00 ATOM 968 C ASP 123 19.574 35.934 31.190 1.00 0.00 ATOM 969 N ALA 124 18.684 36.762 30.653 1.00 0.00 ATOM 970 CA ALA 124 18.376 38.050 31.289 1.00 0.00 ATOM 971 CB ALA 124 17.419 38.853 30.423 1.00 0.00 ATOM 972 O ALA 124 17.944 38.618 33.575 1.00 0.00 ATOM 973 C ALA 124 17.727 37.837 32.655 1.00 0.00 ATOM 974 N GLU 125 16.814 36.872 32.717 1.00 0.00 ATOM 975 CA GLU 125 16.130 36.562 33.972 1.00 0.00 ATOM 976 CB GLU 125 15.152 35.453 33.838 1.00 0.00 ATOM 977 CG GLU 125 14.452 35.143 35.140 1.00 0.00 ATOM 978 CD GLU 125 13.473 33.972 35.039 1.00 0.00 ATOM 979 OE1 GLU 125 13.462 33.271 34.015 1.00 0.00 ATOM 980 OE2 GLU 125 12.730 33.759 36.013 1.00 0.00 ATOM 981 O GLU 125 17.182 36.688 36.140 1.00 0.00 ATOM 982 C GLU 125 17.189 36.184 35.021 1.00 0.00 ATOM 983 N THR 126 18.107 35.319 34.650 1.00 0.00 ATOM 984 CA THR 126 19.148 34.906 35.591 1.00 0.00 ATOM 985 CB THR 126 20.073 33.821 34.918 1.00 0.00 ATOM 986 CG2 THR 126 21.159 33.358 35.892 1.00 0.00 ATOM 987 OG1 THR 126 19.293 32.677 34.528 1.00 0.00 ATOM 988 O THR 126 20.273 36.329 37.163 1.00 0.00 ATOM 989 C THR 126 20.041 36.077 35.979 1.00 0.00 ATOM 990 N GLN 127 20.407 36.877 34.982 1.00 0.00 ATOM 991 CA GLN 127 21.267 38.037 35.211 1.00 0.00 ATOM 992 CB GLN 127 21.677 38.662 33.891 1.00 0.00 ATOM 993 CG GLN 127 22.785 39.677 34.014 1.00 0.00 ATOM 994 CD GLN 127 24.003 39.109 34.710 1.00 0.00 ATOM 995 OE1 GLN 127 24.501 38.046 34.338 1.00 0.00 ATOM 996 NE2 GLN 127 24.497 39.817 35.726 1.00 0.00 ATOM 997 O GLN 127 21.183 39.796 36.840 1.00 0.00 ATOM 998 C GLN 127 20.550 39.078 36.058 1.00 0.00 ATOM 999 N VAL 128 19.252 39.239 35.824 1.00 0.00 ATOM 1000 CA VAL 128 18.482 40.207 36.597 1.00 0.00 ATOM 1001 CB VAL 128 17.056 40.315 35.978 1.00 0.00 ATOM 1002 CG1 VAL 128 16.056 40.959 36.919 1.00 0.00 ATOM 1003 CG2 VAL 128 17.093 41.035 34.633 1.00 0.00 ATOM 1004 O VAL 128 18.421 40.671 38.938 1.00 0.00 ATOM 1005 C VAL 128 18.452 39.802 38.062 1.00 0.00 ATOM 1006 N GLN 129 18.196 38.536 38.370 1.00 0.00 ATOM 1007 CA GLN 129 18.206 38.077 39.762 1.00 0.00 ATOM 1008 CB GLN 129 18.020 36.670 39.982 1.00 0.00 ATOM 1009 CG GLN 129 18.051 36.255 41.441 1.00 0.00 ATOM 1010 CD GLN 129 16.840 36.729 42.214 1.00 0.00 ATOM 1011 OE1 GLN 129 15.811 37.065 41.635 1.00 0.00 ATOM 1012 NE2 GLN 129 16.945 36.737 43.529 1.00 0.00 ATOM 1013 O GLN 129 19.626 39.218 41.300 1.00 0.00 ATOM 1014 C GLN 129 19.553 38.361 40.417 1.00 0.00 ATOM 1015 N ASN 130 20.618 38.031 39.699 1.00 0.00 ATOM 1016 CA ASN 130 21.967 38.258 40.207 1.00 0.00 ATOM 1017 CB ASN 130 22.625 36.970 40.729 1.00 0.00 ATOM 1018 CG ASN 130 21.873 36.376 41.908 1.00 0.00 ATOM 1019 ND2 ASN 130 21.039 35.377 41.651 1.00 0.00 ATOM 1020 OD1 ASN 130 22.003 36.834 43.042 1.00 0.00 ATOM 1021 O ASN 130 23.934 39.340 39.463 1.00 0.00 ATOM 1022 C ASN 130 22.810 38.924 39.127 1.00 0.00 TER END