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 When we'd fussed with the model to the point of diminishing returns, METHOD we made a dimer (aligning to 1h0x) and repacked the side chains METHOD (without moving the backbone) using Rosetta. We think that this fixed METHOD a couple of bad rotamers at the dimerization interface. The K78-T81 METHOD hbonds look particularly good in the repacked dimer. REMARK 6 REMARK 6 T0205 model 1 Sat Jul 3 20:15:58 2004 MODEL 1 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 5.002 39.444 51.878 1.00 0.00 ATOM 2 CA SER 1 6.153 39.880 52.729 1.00 0.00 ATOM 3 CB SER 1 7.397 39.041 52.413 1.00 0.00 ATOM 4 OG SER 1 7.864 39.399 51.112 1.00 0.00 ATOM 5 O SER 1 5.727 42.007 51.669 1.00 0.00 ATOM 6 C SER 1 6.448 41.360 52.432 1.00 0.00 ATOM 7 N GLU 2 7.432 41.916 53.108 1.00 0.00 ATOM 8 CA GLU 2 7.785 43.308 52.867 1.00 0.00 ATOM 9 CB GLU 2 8.892 43.754 53.825 1.00 0.00 ATOM 10 CG GLU 2 8.449 43.895 55.275 1.00 0.00 ATOM 11 CD GLU 2 9.613 44.212 56.173 1.00 0.00 ATOM 12 OE1 GLU 2 10.720 44.241 55.691 1.00 0.00 ATOM 13 OE2 GLU 2 9.386 44.533 57.315 1.00 0.00 ATOM 14 O GLU 2 7.858 44.488 50.787 1.00 0.00 ATOM 15 C GLU 2 8.222 43.504 51.417 1.00 0.00 ATOM 16 N GLU 3 9.011 42.569 50.912 1.00 0.00 ATOM 17 CA GLU 3 9.483 42.647 49.509 1.00 0.00 ATOM 18 CB GLU 3 10.489 41.531 49.218 1.00 0.00 ATOM 19 CG GLU 3 11.075 41.563 47.814 1.00 0.00 ATOM 20 CD GLU 3 12.085 40.466 47.619 1.00 0.00 ATOM 21 OE1 GLU 3 12.319 39.728 48.545 1.00 0.00 ATOM 22 OE2 GLU 3 12.540 40.295 46.512 1.00 0.00 ATOM 23 O GLU 3 8.258 43.356 47.568 1.00 0.00 ATOM 24 C GLU 3 8.333 42.571 48.521 1.00 0.00 ATOM 25 N ILE 4 7.428 41.628 48.763 1.00 0.00 ATOM 26 CA ILE 4 6.201 41.519 47.973 1.00 0.00 ATOM 27 CB ILE 4 5.353 40.311 48.411 1.00 0.00 ATOM 28 CG1 ILE 4 6.067 39.003 48.063 1.00 0.00 ATOM 29 CG2 ILE 4 3.980 40.361 47.759 1.00 0.00 ATOM 30 CD1 ILE 4 5.440 37.778 48.690 1.00 0.00 ATOM 31 O ILE 4 4.835 43.239 47.068 1.00 0.00 ATOM 32 C ILE 4 5.350 42.768 48.069 1.00 0.00 ATOM 33 N THR 5 5.157 43.278 49.275 1.00 0.00 ATOM 34 CA THR 5 4.361 44.471 49.471 1.00 0.00 ATOM 35 CB THR 5 4.220 44.817 50.965 1.00 0.00 ATOM 36 CG2 THR 5 3.425 46.102 51.142 1.00 0.00 ATOM 37 OG1 THR 5 3.550 43.747 51.644 1.00 0.00 ATOM 38 O THR 5 4.277 46.462 48.117 1.00 0.00 ATOM 39 C THR 5 4.979 45.660 48.730 1.00 0.00 ATOM 40 N ASP 6 6.299 45.813 48.819 1.00 0.00 ATOM 41 CA ASP 6 6.976 46.876 48.096 1.00 0.00 ATOM 42 CB ASP 6 8.456 46.930 48.484 1.00 0.00 ATOM 43 CG ASP 6 8.721 47.484 49.878 1.00 0.00 ATOM 44 OD1 ASP 6 7.817 48.039 50.457 1.00 0.00 ATOM 45 OD2 ASP 6 9.769 47.213 50.413 1.00 0.00 ATOM 46 O ASP 6 6.626 47.598 45.840 1.00 0.00 ATOM 47 C ASP 6 6.808 46.651 46.597 1.00 0.00 ATOM 48 N GLY 7 6.870 45.386 46.178 1.00 0.00 ATOM 49 CA GLY 7 6.707 45.072 44.772 1.00 0.00 ATOM 50 O GLY 7 5.177 46.063 43.216 1.00 0.00 ATOM 51 C GLY 7 5.327 45.496 44.299 1.00 0.00 ATOM 52 N VAL 8 4.308 45.233 45.121 1.00 0.00 ATOM 53 CA VAL 8 2.945 45.605 44.768 1.00 0.00 ATOM 54 CB VAL 8 1.928 45.057 45.786 1.00 0.00 ATOM 55 CG1 VAL 8 0.541 45.617 45.508 1.00 0.00 ATOM 56 CG2 VAL 8 1.904 43.537 45.751 1.00 0.00 ATOM 57 O VAL 8 2.263 47.640 43.677 1.00 0.00 ATOM 58 C VAL 8 2.785 47.119 44.675 1.00 0.00 ATOM 59 N ASN 9 3.240 47.830 45.676 1.00 0.00 ATOM 60 CA ASN 9 3.090 49.296 45.677 1.00 0.00 ATOM 61 CB ASN 9 3.513 49.896 47.005 1.00 0.00 ATOM 62 CG ASN 9 2.542 49.637 48.123 1.00 0.00 ATOM 63 ND2 ASN 9 3.005 49.839 49.331 1.00 0.00 ATOM 64 OD1 ASN 9 1.367 49.329 47.894 1.00 0.00 ATOM 65 O ASN 9 3.328 50.635 43.679 1.00 0.00 ATOM 66 C ASN 9 3.890 49.899 44.524 1.00 0.00 ATOM 67 N ASN 10 5.135 49.457 44.367 1.00 0.00 ATOM 68 CA ASN 10 5.968 50.050 43.336 1.00 0.00 ATOM 69 CB ASN 10 7.465 49.649 43.601 1.00 0.00 ATOM 70 CG ASN 10 8.013 50.202 44.916 1.00 0.00 ATOM 71 ND2 ASN 10 9.033 49.529 45.426 1.00 0.00 ATOM 72 OD1 ASN 10 7.534 51.206 45.454 1.00 0.00 ATOM 73 O ASN 10 5.502 50.544 41.047 1.00 0.00 ATOM 74 C ASN 10 5.550 49.675 41.935 1.00 0.00 ATOM 75 N MET 11 5.048 48.468 41.733 1.00 0.00 ATOM 76 CA MET 11 4.444 48.094 40.452 1.00 0.00 ATOM 77 CB MET 11 5.369 47.149 39.688 1.00 0.00 ATOM 78 CG MET 11 4.742 46.512 38.457 1.00 0.00 ATOM 79 SD MET 11 5.918 45.530 37.506 1.00 0.00 ATOM 80 CE MET 11 6.146 44.127 38.595 1.00 0.00 ATOM 81 O MET 11 3.044 46.425 41.346 1.00 0.00 ATOM 82 C MET 11 3.101 47.461 40.710 1.00 0.00 ATOM 83 N ASN 12 2.108 47.821 39.899 1.00 0.00 ATOM 84 CA ASN 12 0.754 47.259 40.032 1.00 0.00 ATOM 85 CB ASN 12 -0.272 48.342 40.309 1.00 0.00 ATOM 86 CG ASN 12 -0.061 49.055 41.616 1.00 0.00 ATOM 87 ND2 ASN 12 0.184 50.337 41.527 1.00 0.00 ATOM 88 OD1 ASN 12 -0.191 48.465 42.696 1.00 0.00 ATOM 89 O ASN 12 0.641 46.969 37.639 1.00 0.00 ATOM 90 C ASN 12 0.416 46.474 38.749 1.00 0.00 ATOM 91 N LEU 13 -0.240 45.314 38.939 1.00 0.00 ATOM 92 CA LEU 13 -0.674 44.476 37.814 1.00 0.00 ATOM 93 CB LEU 13 -0.024 43.090 37.904 1.00 0.00 ATOM 94 CG LEU 13 -0.143 42.228 36.639 1.00 0.00 ATOM 95 CD1 LEU 13 0.726 40.985 36.771 1.00 0.00 ATOM 96 CD2 LEU 13 -1.599 41.848 36.419 1.00 0.00 ATOM 97 O LEU 13 -2.822 44.275 38.893 1.00 0.00 ATOM 98 C LEU 13 -2.218 44.402 37.853 1.00 0.00 ATOM 99 N ALA 14 -2.797 44.772 36.720 1.00 0.00 ATOM 100 CA ALA 14 -4.241 44.804 36.575 1.00 0.00 ATOM 101 CB ALA 14 -4.732 46.241 36.467 1.00 0.00 ATOM 102 O ALA 14 -3.546 43.735 34.548 1.00 0.00 ATOM 103 C ALA 14 -4.496 44.022 35.292 1.00 0.00 ATOM 104 N THR 15 -5.663 43.397 35.213 1.00 0.00 ATOM 105 CA THR 15 -6.049 42.598 34.056 1.00 0.00 ATOM 106 CB THR 15 -6.279 41.124 34.438 1.00 0.00 ATOM 107 CG2 THR 15 -6.687 40.314 33.217 1.00 0.00 ATOM 108 OG1 THR 15 -5.074 40.577 34.989 1.00 0.00 ATOM 109 O THR 15 -8.239 43.539 34.166 1.00 0.00 ATOM 110 C THR 15 -7.310 43.186 33.445 1.00 0.00 ATOM 111 N ASP 16 -7.365 43.226 32.117 1.00 0.00 ATOM 112 CA ASP 16 -8.548 43.742 31.444 1.00 0.00 ATOM 113 CB ASP 16 -8.164 44.411 30.123 1.00 0.00 ATOM 114 CG ASP 16 -7.242 45.614 30.272 1.00 0.00 ATOM 115 OD1 ASP 16 -7.508 46.442 31.112 1.00 0.00 ATOM 116 OD2 ASP 16 -6.201 45.619 29.660 1.00 0.00 ATOM 117 O ASP 16 -9.304 41.466 31.607 1.00 0.00 ATOM 118 C ASP 16 -9.545 42.608 31.210 1.00 0.00 ATOM 119 N SER 17 -10.650 42.934 30.547 1.00 0.00 ATOM 120 CA SER 17 -11.694 41.947 30.281 1.00 0.00 ATOM 121 CB SER 17 -12.900 42.620 29.656 1.00 0.00 ATOM 122 OG SER 17 -12.619 43.126 28.380 1.00 0.00 ATOM 123 O SER 17 -11.951 39.724 29.419 1.00 0.00 ATOM 124 C SER 17 -11.305 40.775 29.386 1.00 0.00 ATOM 125 N GLN 18 -10.242 40.904 28.660 1.00 0.00 ATOM 126 CA GLN 18 -9.782 39.841 27.774 1.00 0.00 ATOM 127 CB GLN 18 -9.354 40.418 26.422 1.00 0.00 ATOM 128 CG GLN 18 -10.451 41.172 25.691 1.00 0.00 ATOM 129 CD GLN 18 -11.636 40.287 25.352 1.00 0.00 ATOM 130 OE1 GLN 18 -11.472 39.177 24.838 1.00 0.00 ATOM 131 NE2 GLN 18 -12.839 40.775 25.635 1.00 0.00 ATOM 132 O GLN 18 -7.728 38.732 27.513 1.00 0.00 ATOM 133 C GLN 18 -8.620 39.015 28.318 1.00 0.00 ATOM 134 N LYS 19 -8.263 39.253 29.575 1.00 0.00 ATOM 135 CA LYS 19 -7.174 38.500 30.170 1.00 0.00 ATOM 136 CB LYS 19 -7.233 37.036 29.731 1.00 0.00 ATOM 137 CG LYS 19 -8.492 36.298 30.169 1.00 0.00 ATOM 138 CD LYS 19 -8.416 34.820 29.819 1.00 0.00 ATOM 139 CE LYS 19 -9.699 34.095 30.196 1.00 0.00 ATOM 140 NZ LYS 19 -9.634 32.643 29.874 1.00 0.00 ATOM 141 O LYS 19 -4.910 38.262 29.528 1.00 0.00 ATOM 142 C LYS 19 -5.801 39.052 29.842 1.00 0.00 ATOM 143 N LYS 20 -5.753 40.316 29.435 1.00 0.00 ATOM 144 CA LYS 20 -4.485 40.962 29.116 1.00 0.00 ATOM 145 CB LYS 20 -4.674 41.991 28.000 1.00 0.00 ATOM 146 CG LYS 20 -5.057 41.394 26.652 1.00 0.00 ATOM 147 CD LYS 20 -5.268 42.479 25.606 1.00 0.00 ATOM 148 CE LYS 20 -5.621 41.882 24.252 1.00 0.00 ATOM 149 NZ LYS 20 -5.826 42.931 23.217 1.00 0.00 ATOM 150 O LYS 20 -4.388 42.699 30.741 1.00 0.00 ATOM 151 C LYS 20 -3.943 41.604 30.390 1.00 0.00 ATOM 152 N ASN 21 -2.732 41.205 30.808 1.00 0.00 ATOM 153 CA ASN 21 -2.138 41.768 32.018 1.00 0.00 ATOM 154 CB ASN 21 -1.150 40.781 32.641 1.00 0.00 ATOM 155 CG ASN 21 -1.835 39.556 33.212 1.00 0.00 ATOM 156 ND2 ASN 21 -1.087 38.464 33.332 1.00 0.00 ATOM 157 OD1 ASN 21 -3.020 39.591 33.543 1.00 0.00 ATOM 158 O ASN 21 -0.878 43.278 30.653 1.00 0.00 ATOM 159 C ASN 21 -1.373 43.065 31.762 1.00 0.00 ATOM 160 N ARG 22 -1.651 44.059 32.592 1.00 0.00 ATOM 161 CA ARG 22 -0.962 45.335 32.517 1.00 0.00 ATOM 162 CB ARG 22 -1.917 46.512 32.652 1.00 0.00 ATOM 163 CG ARG 22 -1.285 47.877 32.430 1.00 0.00 ATOM 164 CD ARG 22 -2.254 49.003 32.401 1.00 0.00 ATOM 165 NE ARG 22 -2.903 49.272 33.674 1.00 0.00 ATOM 166 CZ ARG 22 -3.890 50.170 33.855 1.00 0.00 ATOM 167 NH1 ARG 22 -4.320 50.914 32.859 1.00 0.00 ATOM 168 NH2 ARG 22 -4.401 50.302 35.067 1.00 0.00 ATOM 169 O ARG 22 -0.149 45.353 34.742 1.00 0.00 ATOM 170 C ARG 22 0.156 45.375 33.549 1.00 0.00 ATOM 171 N ILE 23 1.306 45.896 33.143 1.00 0.00 ATOM 172 CA ILE 23 2.434 46.024 34.049 1.00 0.00 ATOM 173 CB ILE 23 3.645 45.207 33.563 1.00 0.00 ATOM 174 CG1 ILE 23 3.267 43.731 33.413 1.00 0.00 ATOM 175 CG2 ILE 23 4.814 45.366 34.523 1.00 0.00 ATOM 176 CD1 ILE 23 2.844 43.074 34.708 1.00 0.00 ATOM 177 O ILE 23 2.907 48.169 33.109 1.00 0.00 ATOM 178 C ILE 23 2.759 47.502 34.134 1.00 0.00 ATOM 179 N GLN 24 2.767 48.034 35.349 1.00 0.00 ATOM 180 CA GLN 24 3.080 49.442 35.531 1.00 0.00 ATOM 181 CB GLN 24 2.350 50.000 36.756 1.00 0.00 ATOM 182 CG GLN 24 2.582 51.484 36.991 1.00 0.00 ATOM 183 CD GLN 24 1.829 52.005 38.200 1.00 0.00 ATOM 184 OE1 GLN 24 1.076 51.270 38.839 1.00 0.00 ATOM 185 NE2 GLN 24 2.033 53.277 38.521 1.00 0.00 ATOM 186 O GLN 24 5.161 48.578 36.106 1.00 0.00 ATOM 187 C GLN 24 4.574 49.591 35.731 1.00 0.00 ATOM 188 N VAL 25 5.198 50.385 34.867 1.00 0.00 ATOM 189 CA VAL 25 6.628 50.617 34.959 1.00 0.00 ATOM 190 CB VAL 25 7.161 51.360 33.720 1.00 0.00 ATOM 191 CG1 VAL 25 8.652 51.628 33.860 1.00 0.00 ATOM 192 CG2 VAL 25 6.881 50.560 32.457 1.00 0.00 ATOM 193 O VAL 25 7.035 52.634 36.112 1.00 0.00 ATOM 194 C VAL 25 6.903 51.416 36.222 1.00 0.00 ATOM 195 N SER 26 7.541 50.762 37.184 1.00 0.00 ATOM 196 CA SER 26 7.859 51.358 38.474 1.00 0.00 ATOM 197 CB SER 26 7.888 50.290 39.550 1.00 0.00 ATOM 198 OG SER 26 8.286 50.803 40.791 1.00 0.00 ATOM 199 O SER 26 9.978 51.982 37.548 1.00 0.00 ATOM 200 C SER 26 9.182 52.111 38.475 1.00 0.00 ATOM 201 N ASN 27 9.285 53.096 39.354 1.00 0.00 ATOM 202 CA ASN 27 10.506 53.863 39.466 1.00 0.00 ATOM 203 CB ASN 27 10.237 55.201 40.157 1.00 0.00 ATOM 204 CG ASN 27 9.426 56.149 39.295 1.00 0.00 ATOM 205 ND2 ASN 27 8.762 57.105 39.934 1.00 0.00 ATOM 206 OD1 ASN 27 9.401 56.022 38.071 1.00 0.00 ATOM 207 O ASN 27 12.695 53.294 40.253 1.00 0.00 ATOM 208 C ASN 27 11.495 53.045 40.292 1.00 0.00 ATOM 209 N THR 28 10.977 52.124 41.101 1.00 0.00 ATOM 210 CA THR 28 11.817 51.303 41.968 1.00 0.00 ATOM 211 CB THR 28 11.076 50.899 43.255 1.00 0.00 ATOM 212 CG2 THR 28 11.959 50.016 44.124 1.00 0.00 ATOM 213 OG1 THR 28 10.710 52.074 43.989 1.00 0.00 ATOM 214 O THR 28 13.564 49.790 41.629 1.00 0.00 ATOM 215 C THR 28 12.374 49.997 41.391 1.00 0.00 ATOM 216 N LYS 29 11.897 49.585 40.224 1.00 0.00 ATOM 217 CA LYS 29 12.409 48.369 39.590 1.00 0.00 ATOM 218 CB LYS 29 11.259 47.427 39.232 1.00 0.00 ATOM 219 CG LYS 29 11.064 46.273 40.206 1.00 0.00 ATOM 220 CD LYS 29 10.918 46.774 41.635 1.00 0.00 ATOM 221 CE LYS 29 11.036 45.635 42.637 1.00 0.00 ATOM 222 NZ LYS 29 10.018 44.576 42.399 1.00 0.00 ATOM 223 O LYS 29 12.735 49.690 37.629 1.00 0.00 ATOM 224 C LYS 29 13.198 48.827 38.370 1.00 0.00 ATOM 225 N LYS 30 14.382 48.270 38.155 1.00 0.00 ATOM 226 CA LYS 30 15.148 48.725 37.001 1.00 0.00 ATOM 227 CB LYS 30 16.603 48.266 37.110 1.00 0.00 ATOM 228 CG LYS 30 17.378 48.923 38.241 1.00 0.00 ATOM 229 CD LYS 30 18.815 48.432 38.284 1.00 0.00 ATOM 230 CE LYS 30 19.604 49.127 39.382 1.00 0.00 ATOM 231 NZ LYS 30 21.028 48.690 39.404 1.00 0.00 ATOM 232 O LYS 30 13.611 47.392 35.725 1.00 0.00 ATOM 233 C LYS 30 14.572 48.166 35.703 1.00 0.00 ATOM 234 N PRO 31 14.996 48.752 34.594 1.00 0.00 ATOM 235 CA PRO 31 14.517 48.373 33.275 1.00 0.00 ATOM 236 CB PRO 31 15.382 49.194 32.317 1.00 0.00 ATOM 237 CG PRO 31 15.708 50.436 33.077 1.00 0.00 ATOM 238 CD PRO 31 15.980 50.000 34.491 1.00 0.00 ATOM 239 O PRO 31 13.792 46.312 32.303 1.00 0.00 ATOM 240 C PRO 31 14.659 46.882 32.969 1.00 0.00 ATOM 241 N LEU 32 15.820 46.314 33.287 1.00 0.00 ATOM 242 CA LEU 32 16.079 44.907 32.996 1.00 0.00 ATOM 243 CB LEU 32 17.531 44.553 33.340 1.00 0.00 ATOM 244 CG LEU 32 17.937 43.104 33.046 1.00 0.00 ATOM 245 CD1 LEU 32 17.791 42.813 31.559 1.00 0.00 ATOM 246 CD2 LEU 32 19.371 42.874 33.502 1.00 0.00 ATOM 247 O LEU 32 14.655 42.989 33.243 1.00 0.00 ATOM 248 C LEU 32 15.114 44.009 33.761 1.00 0.00 ATOM 249 N PHE 33 14.819 44.383 34.999 1.00 0.00 ATOM 250 CA PHE 33 13.900 43.612 35.828 1.00 0.00 ATOM 251 CB PHE 33 13.823 44.208 37.235 1.00 0.00 ATOM 252 CG PHE 33 12.877 43.481 38.149 1.00 0.00 ATOM 253 CD1 PHE 33 13.253 42.291 38.755 1.00 0.00 ATOM 254 CD2 PHE 33 11.611 43.985 38.404 1.00 0.00 ATOM 255 CE1 PHE 33 12.384 41.622 39.596 1.00 0.00 ATOM 256 CE2 PHE 33 10.741 43.319 39.245 1.00 0.00 ATOM 257 CZ PHE 33 11.128 42.135 39.841 1.00 0.00 ATOM 258 O PHE 33 11.821 42.571 35.202 1.00 0.00 ATOM 259 C PHE 33 12.522 43.585 35.163 1.00 0.00 ATOM 260 N PHE 34 12.052 44.750 34.677 1.00 0.00 ATOM 261 CA PHE 34 10.768 44.842 33.995 1.00 0.00 ATOM 262 CB PHE 34 10.448 46.298 33.652 1.00 0.00 ATOM 263 CG PHE 34 10.228 47.170 34.855 1.00 0.00 ATOM 264 CD1 PHE 34 10.617 48.501 34.846 1.00 0.00 ATOM 265 CD2 PHE 34 9.631 46.660 35.999 1.00 0.00 ATOM 266 CE1 PHE 34 10.415 49.303 35.953 1.00 0.00 ATOM 267 CE2 PHE 34 9.427 47.461 37.106 1.00 0.00 ATOM 268 CZ PHE 34 9.820 48.784 37.083 1.00 0.00 ATOM 269 O PHE 34 9.789 43.346 32.401 1.00 0.00 ATOM 270 C PHE 34 10.782 43.981 32.735 1.00 0.00 ATOM 271 N TYR 35 11.867 44.059 31.964 1.00 0.00 ATOM 272 CA TYR 35 11.972 43.267 30.744 1.00 0.00 ATOM 273 CB TYR 35 13.297 43.551 30.033 1.00 0.00 ATOM 274 CG TYR 35 13.612 42.584 28.913 1.00 0.00 ATOM 275 CD1 TYR 35 12.837 42.549 27.763 1.00 0.00 ATOM 276 CD2 TYR 35 14.685 41.711 29.008 1.00 0.00 ATOM 277 CE1 TYR 35 13.120 41.668 26.737 1.00 0.00 ATOM 278 CE2 TYR 35 14.978 40.827 27.989 1.00 0.00 ATOM 279 CZ TYR 35 14.193 40.808 26.854 1.00 0.00 ATOM 280 OH TYR 35 14.481 39.929 25.835 1.00 0.00 ATOM 281 O TYR 35 11.066 41.071 30.394 1.00 0.00 ATOM 282 C TYR 35 11.848 41.777 31.044 1.00 0.00 ATOM 283 N VAL 36 12.567 41.324 32.064 1.00 0.00 ATOM 284 CA VAL 36 12.545 39.913 32.434 1.00 0.00 ATOM 285 CB VAL 36 13.577 39.690 33.528 1.00 0.00 ATOM 286 CG1 VAL 36 13.390 38.340 34.232 1.00 0.00 ATOM 287 CG2 VAL 36 14.936 39.752 32.870 1.00 0.00 ATOM 288 O VAL 36 10.614 38.469 32.613 1.00 0.00 ATOM 289 C VAL 36 11.135 39.560 32.954 1.00 0.00 ATOM 290 N ASN 37 10.495 40.442 33.678 1.00 0.00 ATOM 291 CA ASN 37 9.132 40.176 34.150 1.00 0.00 ATOM 292 CB ASN 37 8.623 41.297 35.037 1.00 0.00 ATOM 293 CG ASN 37 7.286 41.014 35.663 1.00 0.00 ATOM 294 ND2 ASN 37 6.298 41.767 35.250 1.00 0.00 ATOM 295 OD1 ASN 37 7.135 40.078 36.456 1.00 0.00 ATOM 296 O ASN 37 7.330 39.018 33.068 1.00 0.00 ATOM 297 C ASN 37 8.136 39.946 33.010 1.00 0.00 ATOM 298 N LEU 38 8.244 40.738 31.940 1.00 0.00 ATOM 299 CA LEU 38 7.361 40.601 30.782 1.00 0.00 ATOM 300 CB LEU 38 7.581 41.764 29.807 1.00 0.00 ATOM 301 CG LEU 38 7.274 43.156 30.373 1.00 0.00 ATOM 302 CD1 LEU 38 7.704 44.229 29.382 1.00 0.00 ATOM 303 CD2 LEU 38 5.787 43.267 30.675 1.00 0.00 ATOM 304 O LEU 38 6.631 38.587 29.693 1.00 0.00 ATOM 305 C LEU 38 7.584 39.261 30.075 1.00 0.00 ATOM 306 N ALA 39 8.839 38.878 29.895 1.00 0.00 ATOM 307 CA ALA 39 9.118 37.605 29.244 1.00 0.00 ATOM 308 CB ALA 39 10.617 37.414 29.073 1.00 0.00 ATOM 309 O ALA 39 8.290 35.355 29.509 1.00 0.00 ATOM 310 C ALA 39 8.576 36.420 30.067 1.00 0.00 ATOM 311 N LYS 40 8.574 36.555 31.391 1.00 0.00 ATOM 312 CA LYS 40 8.034 35.510 32.258 1.00 0.00 ATOM 313 CB LYS 40 8.225 35.883 33.729 1.00 0.00 ATOM 314 CG LYS 40 7.733 34.830 34.714 1.00 0.00 ATOM 315 CD LYS 40 8.028 35.235 36.150 1.00 0.00 ATOM 316 CE LYS 40 7.516 34.196 37.136 1.00 0.00 ATOM 317 NZ LYS 40 7.787 34.586 38.546 1.00 0.00 ATOM 318 O LYS 40 6.179 34.217 31.543 1.00 0.00 ATOM 319 C LYS 40 6.564 35.325 31.904 1.00 0.00 ATOM 320 N ARG 41 5.859 36.420 31.624 1.00 0.00 ATOM 321 CA ARG 41 4.460 36.309 31.234 1.00 0.00 ATOM 322 CB ARG 41 3.715 37.627 31.388 1.00 0.00 ATOM 323 CG ARG 41 3.643 38.158 32.810 1.00 0.00 ATOM 324 CD ARG 41 2.865 37.304 33.744 1.00 0.00 ATOM 325 NE ARG 41 2.698 37.864 35.076 1.00 0.00 ATOM 326 CZ ARG 41 2.179 37.199 36.126 1.00 0.00 ATOM 327 NH1 ARG 41 1.742 35.966 35.998 1.00 0.00 ATOM 328 NH2 ARG 41 2.100 37.829 37.286 1.00 0.00 ATOM 329 O ARG 41 3.449 34.935 29.578 1.00 0.00 ATOM 330 C ARG 41 4.335 35.760 29.843 1.00 0.00 ATOM 331 N TYR 42 5.191 36.171 28.921 1.00 0.00 ATOM 332 CA TYR 42 5.122 35.671 27.533 1.00 0.00 ATOM 333 CB TYR 42 6.137 36.401 26.650 1.00 0.00 ATOM 334 CG TYR 42 5.921 37.896 26.576 1.00 0.00 ATOM 335 CD1 TYR 42 6.998 38.770 26.526 1.00 0.00 ATOM 336 CD2 TYR 42 4.641 38.430 26.555 1.00 0.00 ATOM 337 CE1 TYR 42 6.807 40.136 26.458 1.00 0.00 ATOM 338 CE2 TYR 42 4.438 39.795 26.487 1.00 0.00 ATOM 339 CZ TYR 42 5.524 40.645 26.438 1.00 0.00 ATOM 340 OH TYR 42 5.327 42.005 26.370 1.00 0.00 ATOM 341 O TYR 42 4.701 33.459 26.697 1.00 0.00 ATOM 342 C TYR 42 5.363 34.168 27.453 1.00 0.00 ATOM 343 N MET 43 6.316 33.658 28.219 1.00 0.00 ATOM 344 CA MET 43 6.624 32.238 28.214 1.00 0.00 ATOM 345 CB MET 43 7.883 31.968 29.036 1.00 0.00 ATOM 346 CG MET 43 9.168 32.489 28.408 1.00 0.00 ATOM 347 SD MET 43 10.621 32.167 29.428 1.00 0.00 ATOM 348 CE MET 43 11.922 32.800 28.373 1.00 0.00 ATOM 349 O MET 43 5.427 30.177 28.278 1.00 0.00 ATOM 350 C MET 43 5.532 31.310 28.732 1.00 0.00 ATOM 351 N GLN 44 4.632 31.816 29.565 1.00 0.00 ATOM 352 CA GLN 44 3.578 30.941 30.064 1.00 0.00 ATOM 353 CB GLN 44 3.249 31.276 31.522 1.00 0.00 ATOM 354 CG GLN 44 4.392 31.024 32.491 1.00 0.00 ATOM 355 CD GLN 44 4.053 31.448 33.907 1.00 0.00 ATOM 356 OE1 GLN 44 2.918 31.835 34.200 1.00 0.00 ATOM 357 NE2 GLN 44 5.039 31.383 34.795 1.00 0.00 ATOM 358 O GLN 44 1.281 30.462 29.594 1.00 0.00 ATOM 359 C GLN 44 2.309 31.033 29.236 1.00 0.00 ATOM 360 N GLN 45 2.258 31.784 28.001 1.00 0.00 ATOM 361 CA GLN 45 1.092 31.870 27.146 1.00 0.00 ATOM 362 CB GLN 45 0.098 30.754 27.481 1.00 0.00 ATOM 363 CG GLN 45 0.633 29.352 27.242 1.00 0.00 ATOM 364 CD GLN 45 0.994 29.111 25.789 1.00 0.00 ATOM 365 OE1 GLN 45 0.222 29.434 24.881 1.00 0.00 ATOM 366 NE2 GLN 45 2.168 28.536 25.560 1.00 0.00 ATOM 367 O GLN 45 -0.750 33.226 26.535 1.00 0.00 ATOM 368 C GLN 45 0.306 33.156 27.169 1.00 0.00 ATOM 369 N TYR 46 0.673 34.087 28.049 1.00 0.00 ATOM 370 CA TYR 46 -0.005 35.384 28.097 1.00 0.00 ATOM 371 CB TYR 46 0.100 35.990 29.498 1.00 0.00 ATOM 372 CG TYR 46 -0.620 35.197 30.566 1.00 0.00 ATOM 373 CD1 TYR 46 0.065 34.292 31.365 1.00 0.00 ATOM 374 CD2 TYR 46 -1.982 35.355 30.774 1.00 0.00 ATOM 375 CE1 TYR 46 -0.587 33.563 32.341 1.00 0.00 ATOM 376 CE2 TYR 46 -2.644 34.632 31.747 1.00 0.00 ATOM 377 CZ TYR 46 -1.943 33.737 32.529 1.00 0.00 ATOM 378 OH TYR 46 -2.598 33.015 33.500 1.00 0.00 ATOM 379 O TYR 46 1.501 37.084 27.321 1.00 0.00 ATOM 380 C TYR 46 0.702 36.197 27.010 1.00 0.00 ATOM 381 N ASN 47 0.140 36.151 25.807 1.00 0.00 ATOM 382 CA ASN 47 0.714 36.785 24.625 1.00 0.00 ATOM 383 CB ASN 47 0.138 36.201 23.347 1.00 0.00 ATOM 384 CG ASN 47 0.596 34.798 23.063 1.00 0.00 ATOM 385 ND2 ASN 47 -0.126 34.133 22.198 1.00 0.00 ATOM 386 OD1 ASN 47 1.634 34.348 23.563 1.00 0.00 ATOM 387 O ASN 47 1.726 38.823 24.566 1.00 0.00 ATOM 388 C ASN 47 0.611 38.293 24.471 1.00 0.00 ATOM 389 N ASP 48 -0.296 38.951 25.158 1.00 0.00 ATOM 390 CA ASP 48 -0.581 40.395 25.062 1.00 0.00 ATOM 391 CB ASP 48 -1.997 40.628 24.530 1.00 0.00 ATOM 392 CG ASP 48 -2.270 42.054 24.072 1.00 0.00 ATOM 393 OD1 ASP 48 -1.994 42.961 24.821 1.00 0.00 ATOM 394 OD2 ASP 48 -2.604 42.235 22.925 1.00 0.00 ATOM 395 O ASP 48 -0.898 40.565 27.419 1.00 0.00 ATOM 396 C ASP 48 -0.406 41.069 26.412 1.00 0.00 ATOM 397 N VAL 49 0.523 42.020 26.479 1.00 0.00 ATOM 398 CA VAL 49 0.779 42.722 27.722 1.00 0.00 ATOM 399 CB VAL 49 2.172 42.383 28.286 1.00 0.00 ATOM 400 CG1 VAL 49 2.546 43.352 29.398 1.00 0.00 ATOM 401 CG2 VAL 49 2.206 40.950 28.796 1.00 0.00 ATOM 402 O VAL 49 0.579 44.638 26.320 1.00 0.00 ATOM 403 C VAL 49 0.657 44.221 27.475 1.00 0.00 ATOM 404 N GLU 50 0.298 44.957 28.523 1.00 0.00 ATOM 405 CA GLU 50 0.205 46.406 28.392 1.00 0.00 ATOM 406 CB GLU 50 -1.234 46.874 28.623 1.00 0.00 ATOM 407 CG GLU 50 -1.460 48.358 28.374 1.00 0.00 ATOM 408 CD GLU 50 -2.916 48.660 28.157 1.00 0.00 ATOM 409 OE1 GLU 50 -3.698 48.383 29.035 1.00 0.00 ATOM 410 OE2 GLU 50 -3.234 49.270 27.163 1.00 0.00 ATOM 411 O GLU 50 0.865 47.108 30.570 1.00 0.00 ATOM 412 C GLU 50 1.154 47.076 29.372 1.00 0.00 ATOM 413 N LEU 51 2.097 47.841 28.832 1.00 0.00 ATOM 414 CA LEU 51 3.060 48.593 29.643 1.00 0.00 ATOM 415 CB LEU 51 4.420 48.646 28.937 1.00 0.00 ATOM 416 CG LEU 51 4.973 47.289 28.481 1.00 0.00 ATOM 417 CD1 LEU 51 6.382 47.459 27.928 1.00 0.00 ATOM 418 CD2 LEU 51 4.966 46.318 29.654 1.00 0.00 ATOM 419 O LEU 51 1.980 50.604 28.938 1.00 0.00 ATOM 420 C LEU 51 2.474 49.978 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 0.579 51.554 32.306 1.00 0.00 ATOM 424 OG SER 52 0.075 52.799 32.705 1.00 0.00 ATOM 425 O SER 52 3.424 52.119 33.168 1.00 0.00 ATOM 426 C SER 52 2.870 52.535 32.161 1.00 0.00 ATOM 427 N ALA 53 3.018 53.770 31.706 1.00 0.00 ATOM 428 CA ALA 53 3.971 54.675 32.317 1.00 0.00 ATOM 429 CB ALA 53 5.191 54.881 31.448 1.00 0.00 ATOM 430 O ALA 53 2.604 56.501 31.636 1.00 0.00 ATOM 431 C ALA 53 3.315 56.023 32.520 1.00 0.00 ATOM 432 N LEU 54 3.424 56.570 33.726 1.00 0.00 ATOM 433 CA LEU 54 2.835 57.877 34.013 1.00 0.00 ATOM 434 CB LEU 54 1.723 57.739 35.061 1.00 0.00 ATOM 435 CG LEU 54 1.135 59.062 35.566 1.00 0.00 ATOM 436 CD1 LEU 54 -0.380 58.950 35.679 1.00 0.00 ATOM 437 CD2 LEU 54 1.751 59.413 36.912 1.00 0.00 ATOM 438 O LEU 54 4.770 58.490 35.298 1.00 0.00 ATOM 439 C LEU 54 3.917 58.847 34.488 1.00 0.00 ATOM 440 N GLY 55 3.737 60.155 33.898 1.00 0.00 ATOM 441 CA GLY 55 4.681 61.167 34.333 1.00 0.00 ATOM 442 O GLY 55 6.247 60.557 32.635 1.00 0.00 ATOM 443 C GLY 55 6.077 60.932 33.795 1.00 0.00 ATOM 444 N MET 56 7.070 61.024 34.676 1.00 0.00 ATOM 445 CA MET 56 8.457 60.837 34.277 1.00 0.00 ATOM 446 CB MET 56 9.393 61.247 35.412 1.00 0.00 ATOM 447 CG MET 56 9.402 62.739 35.713 1.00 0.00 ATOM 448 SD MET 56 9.906 63.732 34.294 1.00 0.00 ATOM 449 CE MET 56 11.621 63.243 34.132 1.00 0.00 ATOM 450 O MET 56 9.514 59.152 32.952 1.00 0.00 ATOM 451 C MET 56 8.732 59.390 33.867 1.00 0.00 ATOM 452 N ALA 57 7.893 58.472 34.335 1.00 0.00 ATOM 453 CA ALA 57 8.061 57.063 34.006 1.00 0.00 ATOM 454 CB ALA 57 7.234 56.196 34.944 1.00 0.00 ATOM 455 O ALA 57 7.797 55.576 32.150 1.00 0.00 ATOM 456 C ALA 57 7.759 56.749 32.533 1.00 0.00 ATOM 457 N ILE 58 7.042 57.686 31.887 1.00 0.00 ATOM 458 CA ILE 58 6.723 57.492 30.474 1.00 0.00 ATOM 459 CB ILE 58 6.017 58.725 29.881 1.00 0.00 ATOM 460 CG1 ILE 58 4.622 58.887 30.490 1.00 0.00 ATOM 461 CG2 ILE 58 5.930 58.610 28.366 1.00 0.00 ATOM 462 CD1 ILE 58 3.966 60.211 30.170 1.00 0.00 ATOM 463 O ILE 58 7.832 56.534 28.572 1.00 0.00 ATOM 464 C ILE 58 7.952 57.190 29.607 1.00 0.00 ATOM 465 N ALA 59 9.018 57.955 29.825 1.00 0.00 ATOM 466 CA ALA 59 10.246 57.719 29.078 1.00 0.00 ATOM 467 CB ALA 59 11.311 58.716 29.459 1.00 0.00 ATOM 468 O ALA 59 11.291 55.651 28.437 1.00 0.00 ATOM 469 C ALA 59 10.761 56.304 29.336 1.00 0.00 ATOM 470 N THR 60 10.649 55.888 30.576 1.00 0.00 ATOM 471 CA THR 60 11.105 54.560 30.963 1.00 0.00 ATOM 472 CB THR 60 11.004 54.349 32.485 1.00 0.00 ATOM 473 CG2 THR 60 11.581 52.996 32.875 1.00 0.00 ATOM 474 OG1 THR 60 11.726 55.385 33.163 1.00 0.00 ATOM 475 O THR 60 10.827 52.418 29.920 1.00 0.00 ATOM 476 C THR 60 10.287 53.479 30.242 1.00 0.00 ATOM 477 N VAL 61 8.970 53.663 30.156 1.00 0.00 ATOM 478 CA VAL 61 8.115 52.680 29.482 1.00 0.00 ATOM 479 CB VAL 61 6.642 53.079 29.410 1.00 0.00 ATOM 480 CG1 VAL 61 6.400 54.175 28.390 1.00 0.00 ATOM 481 CG2 VAL 61 5.808 51.858 29.105 1.00 0.00 ATOM 482 O VAL 61 8.497 51.360 27.505 1.00 0.00 ATOM 483 C VAL 61 8.568 52.476 28.038 1.00 0.00 ATOM 484 N VAL 62 8.910 53.562 27.359 1.00 0.00 ATOM 485 CA VAL 62 9.382 53.439 25.981 1.00 0.00 ATOM 486 CB VAL 62 9.542 54.818 25.313 1.00 0.00 ATOM 487 CG1 VAL 62 10.214 54.676 23.956 1.00 0.00 ATOM 488 CG2 VAL 62 8.191 55.501 25.169 1.00 0.00 ATOM 489 O VAL 62 11.017 51.929 25.071 1.00 0.00 ATOM 490 C VAL 62 10.714 52.687 25.997 1.00 0.00 ATOM 491 N THR 63 11.564 52.991 26.975 1.00 0.00 ATOM 492 CA THR 63 12.845 52.301 27.083 1.00 0.00 ATOM 493 CB THR 63 13.667 52.820 28.277 1.00 0.00 ATOM 494 CG2 THR 63 14.974 52.051 28.399 1.00 0.00 ATOM 495 OG1 THR 63 13.952 54.213 28.096 1.00 0.00 ATOM 496 O THR 63 13.336 49.995 26.630 1.00 0.00 ATOM 497 C THR 63 12.625 50.797 27.229 1.00 0.00 ATOM 498 N VAL 64 11.634 50.411 28.027 1.00 0.00 ATOM 499 CA VAL 64 11.367 48.988 28.202 1.00 0.00 ATOM 500 CB VAL 64 10.268 48.744 29.253 1.00 0.00 ATOM 501 CG1 VAL 64 9.870 47.276 29.277 1.00 0.00 ATOM 502 CG2 VAL 64 10.739 49.191 30.629 1.00 0.00 ATOM 503 O VAL 64 11.371 47.263 26.545 1.00 0.00 ATOM 504 C VAL 64 10.955 48.373 26.871 1.00 0.00 ATOM 505 N THR 65 10.053 49.034 26.153 1.00 0.00 ATOM 506 CA THR 65 9.621 48.512 24.869 1.00 0.00 ATOM 507 CB THR 65 8.524 49.392 24.241 1.00 0.00 ATOM 508 CG2 THR 65 8.127 48.853 22.874 1.00 0.00 ATOM 509 OG1 THR 65 7.374 49.410 25.096 1.00 0.00 ATOM 510 O THR 65 10.814 47.404 23.088 1.00 0.00 ATOM 511 C THR 65 10.759 48.378 23.842 1.00 0.00 ATOM 512 N GLU 66 11.652 49.327 23.843 1.00 0.00 ATOM 513 CA GLU 66 12.770 49.280 22.911 1.00 0.00 ATOM 514 CB GLU 66 13.564 50.587 22.961 1.00 0.00 ATOM 515 CG GLU 66 14.659 50.698 21.909 1.00 0.00 ATOM 516 CD GLU 66 14.147 50.326 20.546 1.00 0.00 ATOM 517 OE1 GLU 66 13.103 50.806 20.173 1.00 0.00 ATOM 518 OE2 GLU 66 14.852 49.653 19.831 1.00 0.00 ATOM 519 O GLU 66 14.165 47.430 22.292 1.00 0.00 ATOM 520 C GLU 66 13.686 48.099 23.209 1.00 0.00 ATOM 521 N ILE 67 13.954 47.861 24.509 1.00 0.00 ATOM 522 CA ILE 67 14.808 46.760 24.934 1.00 0.00 ATOM 523 CB ILE 67 15.052 46.798 26.455 1.00 0.00 ATOM 524 CG1 ILE 67 15.897 48.018 26.830 1.00 0.00 ATOM 525 CG2 ILE 67 15.786 45.545 26.910 1.00 0.00 ATOM 526 CD1 ILE 67 15.962 48.281 28.318 1.00 0.00 ATOM 527 O ILE 67 14.804 44.525 24.045 1.00 0.00 ATOM 528 C ILE 67 14.144 45.446 24.526 1.00 0.00 ATOM 529 N LEU 68 12.837 45.374 24.765 1.00 0.00 ATOM 530 CA LEU 68 12.061 44.191 24.407 1.00 0.00 ATOM 531 CB LEU 68 10.602 44.360 24.849 1.00 0.00 ATOM 532 CG LEU 68 9.636 43.284 24.337 1.00 0.00 ATOM 533 CD1 LEU 68 10.051 41.917 24.863 1.00 0.00 ATOM 534 CD2 LEU 68 8.219 43.623 24.775 1.00 0.00 ATOM 535 O LEU 68 12.461 42.833 22.477 1.00 0.00 ATOM 536 C LEU 68 12.157 43.951 22.908 1.00 0.00 ATOM 537 N LYS 69 11.993 45.016 22.132 1.00 0.00 ATOM 538 CA LYS 69 12.065 44.916 20.679 1.00 0.00 ATOM 539 CB LYS 69 11.700 46.253 20.030 1.00 0.00 ATOM 540 CG LYS 69 11.696 46.233 18.508 1.00 0.00 ATOM 541 CD LYS 69 11.243 47.569 17.938 1.00 0.00 ATOM 542 CE LYS 69 11.255 47.556 16.417 1.00 0.00 ATOM 543 NZ LYS 69 10.824 48.861 15.846 1.00 0.00 ATOM 544 O LYS 69 13.564 43.652 19.307 1.00 0.00 ATOM 545 C LYS 69 13.451 44.475 20.218 1.00 0.00 ATOM 546 N ASN 70 14.502 44.949 20.886 1.00 0.00 ATOM 547 CA ASN 70 15.847 44.564 20.474 1.00 0.00 ATOM 548 CB ASN 70 16.905 45.342 21.235 1.00 0.00 ATOM 549 CG ASN 70 17.018 46.781 20.814 1.00 0.00 ATOM 550 ND2 ASN 70 17.658 47.563 21.645 1.00 0.00 ATOM 551 OD1 ASN 70 16.594 47.163 19.717 1.00 0.00 ATOM 552 O ASN 70 16.544 42.426 19.713 1.00 0.00 ATOM 553 C ASN 70 16.079 43.071 20.643 1.00 0.00 ATOM 554 N ASN 71 15.530 42.463 21.687 1.00 0.00 ATOM 555 CA ASN 71 15.797 41.044 21.842 1.00 0.00 ATOM 556 CB ASN 71 15.959 40.666 23.303 1.00 0.00 ATOM 557 CG ASN 71 17.193 41.240 23.943 1.00 0.00 ATOM 558 ND2 ASN 71 17.147 41.364 25.245 1.00 0.00 ATOM 559 OD1 ASN 71 18.200 41.499 23.275 1.00 0.00 ATOM 560 O ASN 71 15.289 39.487 20.306 1.00 0.00 ATOM 561 C ASN 71 14.769 40.098 21.239 1.00 0.00 ATOM 562 N GLY 72 13.576 40.594 20.923 1.00 0.00 ATOM 563 CA GLY 72 12.545 39.744 20.317 1.00 0.00 ATOM 564 O GLY 72 12.311 39.047 18.084 1.00 0.00 ATOM 565 C GLY 72 12.318 40.030 18.833 1.00 0.00 ATOM 566 N PHE 73 12.793 41.185 18.375 1.00 0.00 ATOM 567 CA PHE 73 12.644 41.568 16.978 1.00 0.00 ATOM 568 CB PHE 73 13.615 40.777 16.100 1.00 0.00 ATOM 569 CG PHE 73 15.061 41.023 16.421 1.00 0.00 ATOM 570 CD1 PHE 73 15.794 40.093 17.144 1.00 0.00 ATOM 571 CD2 PHE 73 15.692 42.185 16.003 1.00 0.00 ATOM 572 CE1 PHE 73 17.125 40.319 17.440 1.00 0.00 ATOM 573 CE2 PHE 73 17.022 42.413 16.296 1.00 0.00 ATOM 574 CZ PHE 73 17.740 41.479 17.016 1.00 0.00 ATOM 575 O PHE 73 10.281 41.952 16.929 1.00 0.00 ATOM 576 C PHE 73 11.247 41.392 16.413 1.00 0.00 ATOM 577 N ALA 74 11.149 40.636 15.319 1.00 0.00 ATOM 578 CA ALA 74 9.867 40.373 14.673 1.00 0.00 ATOM 579 CB ALA 74 9.977 39.509 13.490 1.00 0.00 ATOM 580 O ALA 74 7.703 39.867 15.550 1.00 0.00 ATOM 581 C ALA 74 8.911 39.645 15.613 1.00 0.00 ATOM 582 N VAL 75 9.440 39.032 16.652 1.00 0.00 ATOM 583 CA VAL 75 8.624 38.289 17.607 1.00 0.00 ATOM 584 CB VAL 75 9.495 37.476 18.582 1.00 0.00 ATOM 585 CG1 VAL 75 9.973 38.353 19.729 1.00 0.00 ATOM 586 CG2 VAL 75 8.723 36.278 19.114 1.00 0.00 ATOM 587 O VAL 75 6.732 38.506 19.060 1.00 0.00 ATOM 588 C VAL 75 7.665 39.078 18.487 1.00 0.00 ATOM 589 N GLU 76 7.820 40.398 18.527 1.00 0.00 ATOM 590 CA GLU 76 6.921 41.227 19.324 1.00 0.00 ATOM 591 CB GLU 76 7.619 41.699 20.601 1.00 0.00 ATOM 592 CG GLU 76 8.669 42.779 20.381 1.00 0.00 ATOM 593 CD GLU 76 8.114 44.147 20.667 1.00 0.00 ATOM 594 OE1 GLU 76 7.001 44.231 21.128 1.00 0.00 ATOM 595 OE2 GLU 76 8.842 45.102 20.530 1.00 0.00 ATOM 596 O GLU 76 7.181 42.829 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 5.194 42.772 18.644 1.00 0.00 ATOM 599 CA LYS 77 4.647 43.900 17.894 1.00 0.00 ATOM 600 CB LYS 77 3.631 43.414 16.859 1.00 0.00 ATOM 601 CG LYS 77 4.226 42.559 15.747 1.00 0.00 ATOM 602 CD LYS 77 3.165 42.151 14.736 1.00 0.00 ATOM 603 CE LYS 77 3.748 41.256 13.652 1.00 0.00 ATOM 604 NZ LYS 77 2.722 40.849 12.655 1.00 0.00 ATOM 605 O LYS 77 3.437 44.552 19.860 1.00 0.00 ATOM 606 C LYS 77 4.005 44.910 18.825 1.00 0.00 ATOM 607 N LYS 78 4.221 46.182 18.524 1.00 0.00 ATOM 608 CA LYS 78 3.614 47.249 19.295 1.00 0.00 ATOM 609 CB LYS 78 4.506 48.492 19.285 1.00 0.00 ATOM 610 CG LYS 78 3.883 49.718 19.939 1.00 0.00 ATOM 611 CD LYS 78 4.895 50.845 20.077 1.00 0.00 ATOM 612 CE LYS 78 5.091 51.579 18.759 1.00 0.00 ATOM 613 NZ LYS 78 3.868 52.321 18.348 1.00 0.00 ATOM 614 O LYS 78 2.174 48.110 17.585 1.00 0.00 ATOM 615 C LYS 78 2.290 47.378 18.567 1.00 0.00 ATOM 616 N ILE 79 1.209 46.953 19.243 1.00 0.00 ATOM 617 CA ILE 79 -0.122 46.989 18.650 1.00 0.00 ATOM 618 CB ILE 79 -1.140 46.207 19.500 1.00 0.00 ATOM 619 CG1 ILE 79 -0.743 44.731 19.585 1.00 0.00 ATOM 620 CG2 ILE 79 -2.539 46.352 18.920 1.00 0.00 ATOM 621 CD1 ILE 79 -0.704 44.031 18.245 1.00 0.00 ATOM 622 O ILE 79 -0.844 48.911 17.416 1.00 0.00 ATOM 623 C ILE 79 -0.535 48.449 18.513 1.00 0.00 ATOM 624 N MET 80 -0.510 49.183 19.622 1.00 0.00 ATOM 625 CA MET 80 -0.882 50.596 19.594 1.00 0.00 ATOM 626 CB MET 80 -2.401 50.743 19.667 1.00 0.00 ATOM 627 CG MET 80 -3.020 50.251 20.967 1.00 0.00 ATOM 628 SD MET 80 -4.812 50.453 21.005 1.00 0.00 ATOM 629 CE MET 80 -4.948 52.235 21.113 1.00 0.00 ATOM 630 O MET 80 0.258 50.722 21.732 1.00 0.00 ATOM 631 C MET 80 -0.201 51.336 20.755 1.00 0.00 ATOM 632 N THR 81 -0.337 52.669 20.664 1.00 0.00 ATOM 633 CA THR 81 0.085 53.532 21.732 1.00 0.00 ATOM 634 CB THR 81 1.308 54.375 21.326 1.00 0.00 ATOM 635 CG2 THR 81 1.731 55.284 22.470 1.00 0.00 ATOM 636 OG1 THR 81 2.397 53.508 20.983 1.00 0.00 ATOM 637 O THR 81 -1.611 55.174 21.327 1.00 0.00 ATOM 638 C THR 81 -1.048 54.456 22.153 1.00 0.00 ATOM 639 N SER 82 -1.323 54.494 23.452 1.00 0.00 ATOM 640 CA SER 82 -2.379 55.341 23.980 1.00 0.00 ATOM 641 CB SER 82 -3.501 54.490 24.541 1.00 0.00 ATOM 642 OG SER 82 -4.522 55.267 25.103 1.00 0.00 ATOM 643 O SER 82 -1.469 55.848 26.133 1.00 0.00 ATOM 644 C SER 82 -1.851 56.286 25.049 1.00 0.00 ATOM 645 N ILE 83 -2.044 57.581 24.827 1.00 0.00 ATOM 646 CA ILE 83 -1.598 58.598 25.769 1.00 0.00 ATOM 647 CB ILE 83 -0.902 59.768 25.050 1.00 0.00 ATOM 648 CG1 ILE 83 0.253 59.252 24.188 1.00 0.00 ATOM 649 CG2 ILE 83 -0.402 60.790 26.058 1.00 0.00 ATOM 650 CD1 ILE 83 0.853 60.301 23.279 1.00 0.00 ATOM 651 O ILE 83 -3.875 59.357 25.888 1.00 0.00 ATOM 652 C ILE 83 -2.851 59.049 26.515 1.00 0.00 ATOM 653 N VAL 84 -2.850 58.890 27.831 1.00 0.00 ATOM 654 CA VAL 84 -3.991 59.319 28.640 1.00 0.00 ATOM 655 CB VAL 84 -4.757 58.115 29.220 1.00 0.00 ATOM 656 CG1 VAL 84 -5.886 58.588 30.124 1.00 0.00 ATOM 657 CG2 VAL 84 -5.302 57.241 28.101 1.00 0.00 ATOM 658 O VAL 84 -2.327 60.536 29.759 1.00 0.00 ATOM 659 C VAL 84 -3.526 60.221 29.773 1.00 0.00 ATOM 660 N ASP 85 -4.407 61.144 30.154 1.00 0.00 ATOM 661 CA ASP 85 -4.167 62.043 31.272 1.00 0.00 ATOM 662 CB ASP 85 -4.447 63.492 30.867 1.00 0.00 ATOM 663 CG ASP 85 -4.143 64.518 31.950 1.00 0.00 ATOM 664 OD1 ASP 85 -3.778 64.122 33.031 1.00 0.00 ATOM 665 OD2 ASP 85 -4.124 65.687 31.644 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 61.515 32.362 1.00 0.00 ATOM 668 N ILE 86 -4.530 61.226 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 -5.131 59.183 34.805 1.00 0.00 ATOM 671 CG1 ILE 86 -3.662 58.868 35.102 1.00 0.00 ATOM 672 CG2 ILE 86 -5.596 58.443 33.560 1.00 0.00 ATOM 673 CD1 ILE 86 -3.413 57.428 35.487 1.00 0.00 ATOM 674 O ILE 86 -4.036 62.067 36.145 1.00 0.00 ATOM 675 C ILE 86 -5.045 61.354 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 -5.823 61.726 38.267 1.00 0.00 ATOM 678 CB LYS 87 -7.173 62.208 38.800 1.00 0.00 ATOM 679 CG LYS 87 -7.103 62.900 40.155 1.00 0.00 ATOM 680 CD LYS 87 -8.481 63.350 40.618 1.00 0.00 ATOM 681 CE LYS 87 -8.407 64.077 41.953 1.00 0.00 ATOM 682 NZ LYS 87 -9.749 64.517 42.422 1.00 0.00 ATOM 683 O LYS 87 -5.620 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 -3.976 60.980 39.656 1.00 0.00 ATOM 686 CA ASP 88 -3.327 60.105 40.620 1.00 0.00 ATOM 687 CB ASP 88 -1.916 59.742 40.150 1.00 0.00 ATOM 688 CG ASP 88 -1.197 58.736 41.039 1.00 0.00 ATOM 689 OD1 ASP 88 -1.741 57.682 41.271 1.00 0.00 ATOM 690 OD2 ASP 88 -0.051 58.959 41.347 1.00 0.00 ATOM 691 O ASP 88 -4.234 60.666 42.770 1.00 0.00 ATOM 692 C ASP 88 -3.267 60.750 42.007 1.00 0.00 ATOM 693 N ASP 89 -2.084 61.514 42.337 1.00 0.00 ATOM 694 CA ASP 89 -1.984 62.137 43.660 1.00 0.00 ATOM 695 CB ASP 89 -0.575 62.689 43.888 1.00 0.00 ATOM 696 CG ASP 89 -0.344 63.271 45.276 1.00 0.00 ATOM 697 OD1 ASP 89 -1.267 63.278 46.057 1.00 0.00 ATOM 698 OD2 ASP 89 0.784 63.559 45.598 1.00 0.00 ATOM 699 O ASP 89 -4.182 62.865 43.685 1.00 0.00 ATOM 700 C ASP 89 -3.018 63.247 43.818 1.00 0.00 ATOM 701 N ALA 90 -2.730 64.416 43.249 1.00 0.00 ATOM 702 CA ALA 90 -3.638 65.557 43.362 1.00 0.00 ATOM 703 CB ALA 90 -3.351 66.357 44.596 1.00 0.00 ATOM 704 O ALA 90 -4.464 67.393 42.096 1.00 0.00 ATOM 705 C ALA 90 -3.650 66.469 42.156 1.00 0.00 ATOM 706 N ARG 91 -2.964 66.034 41.086 1.00 0.00 ATOM 707 CA ARG 91 -2.934 66.813 39.845 1.00 0.00 ATOM 708 CB ARG 91 -1.792 67.818 39.825 1.00 0.00 ATOM 709 CG ARG 91 -0.401 67.207 39.866 1.00 0.00 ATOM 710 CD ARG 91 0.705 68.198 39.836 1.00 0.00 ATOM 711 NE ARG 91 2.035 67.616 39.757 1.00 0.00 ATOM 712 CZ ARG 91 3.180 68.324 39.725 1.00 0.00 ATOM 713 NH1 ARG 91 3.163 69.639 39.727 1.00 0.00 ATOM 714 NH2 ARG 91 4.323 67.663 39.667 1.00 0.00 ATOM 715 O ARG 91 -2.476 64.699 38.814 1.00 0.00 ATOM 716 C ARG 91 -2.897 65.847 38.671 1.00 0.00 ATOM 717 N GLY 92 -3.440 66.288 37.540 1.00 0.00 ATOM 718 CA GLY 92 -3.485 65.472 36.333 1.00 0.00 ATOM 719 O GLY 92 -1.173 65.897 36.048 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 63.793 35.706 1.00 0.00 ATOM 722 CA ARG 93 -0.567 63.275 35.294 1.00 0.00 ATOM 723 CB ARG 93 0.089 62.437 36.381 1.00 0.00 ATOM 724 CG ARG 93 0.484 63.208 37.631 1.00 0.00 ATOM 725 CD ARG 93 1.122 62.378 38.685 1.00 0.00 ATOM 726 NE ARG 93 1.512 63.113 39.878 1.00 0.00 ATOM 727 CZ ARG 93 2.035 62.553 40.986 1.00 0.00 ATOM 728 NH1 ARG 93 2.196 61.251 41.074 1.00 0.00 ATOM 729 NH2 ARG 93 2.358 63.345 41.993 1.00 0.00 ATOM 730 O ARG 93 -1.644 61.650 33.912 1.00 0.00 ATOM 731 C ARG 93 -0.781 62.525 33.984 1.00 0.00 ATOM 732 N PRO 94 0.192 62.621 33.087 1.00 0.00 ATOM 733 CA PRO 94 0.107 61.972 31.789 1.00 0.00 ATOM 734 CB PRO 94 0.982 62.850 30.845 1.00 0.00 ATOM 735 CG PRO 94 2.059 63.352 31.789 1.00 0.00 ATOM 736 CD PRO 94 1.476 63.366 33.189 1.00 0.00 ATOM 737 O PRO 94 1.689 60.297 32.197 1.00 0.00 ATOM 738 C PRO 94 0.530 60.520 31.863 1.00 0.00 ATOM 739 N VAL 95 -0.132 59.679 31.072 1.00 0.00 ATOM 740 CA VAL 95 0.182 58.276 30.995 1.00 0.00 ATOM 741 CB VAL 95 -1.012 57.405 31.429 1.00 0.00 ATOM 742 CG1 VAL 95 -1.880 57.055 30.229 1.00 0.00 ATOM 743 CG2 VAL 95 -0.526 56.140 32.119 1.00 0.00 ATOM 744 O VAL 95 0.182 58.550 28.564 1.00 0.00 ATOM 745 C VAL 95 0.590 57.929 29.582 1.00 0.00 ATOM 746 N GLN 96 0.887 56.563 29.300 1.00 0.00 ATOM 747 CA GLN 96 1.019 55.933 27.992 1.00 0.00 ATOM 748 CB GLN 96 2.420 56.170 27.422 1.00 0.00 ATOM 749 CG GLN 96 2.615 55.644 26.010 1.00 0.00 ATOM 750 CD GLN 96 3.970 56.011 25.437 1.00 0.00 ATOM 751 OE1 GLN 96 4.994 55.426 25.804 1.00 0.00 ATOM 752 NE2 GLN 96 3.986 56.987 24.537 1.00 0.00 ATOM 753 O GLN 96 1.206 53.811 29.079 1.00 0.00 ATOM 754 C GLN 96 0.730 54.441 28.141 1.00 0.00 ATOM 755 N LYS 97 0.139 53.844 27.114 1.00 0.00 ATOM 756 CA LYS 97 -0.173 52.421 27.145 1.00 0.00 ATOM 757 CB LYS 97 -1.684 52.206 27.243 1.00 0.00 ATOM 758 CG LYS 97 -2.307 52.702 28.541 1.00 0.00 ATOM 759 CD LYS 97 -3.800 52.412 28.585 1.00 0.00 ATOM 760 CE LYS 97 -4.436 52.969 29.851 1.00 0.00 ATOM 761 NZ LYS 97 -5.896 52.689 29.909 1.00 0.00 ATOM 762 O LYS 97 0.268 52.454 24.782 1.00 0.00 ATOM 763 C LYS 97 0.446 51.876 25.858 1.00 0.00 ATOM 764 N ALA 98 1.217 50.833 26.001 1.00 0.00 ATOM 765 CA ALA 98 1.858 50.182 24.859 1.00 0.00 ATOM 766 CB ALA 98 3.364 50.301 24.978 1.00 0.00 ATOM 767 O ALA 98 1.450 48.078 25.897 1.00 0.00 ATOM 768 C ALA 98 1.313 48.760 24.880 1.00 0.00 ATOM 769 N LYS 99 0.446 48.430 23.928 1.00 0.00 ATOM 770 CA LYS 99 -0.124 47.089 23.884 1.00 0.00 ATOM 771 CB LYS 99 -1.559 47.134 23.358 1.00 0.00 ATOM 772 CG LYS 99 -2.543 47.850 24.275 1.00 0.00 ATOM 773 CD LYS 99 -3.936 47.895 23.663 1.00 0.00 ATOM 774 CE LYS 99 -4.926 48.584 24.591 1.00 0.00 ATOM 775 NZ LYS 99 -6.294 48.634 24.007 1.00 0.00 ATOM 776 O LYS 99 1.367 46.762 22.093 1.00 0.00 ATOM 777 C LYS 99 0.760 46.218 23.014 1.00 0.00 ATOM 778 N ILE 100 1.250 45.142 23.615 1.00 0.00 ATOM 779 CA ILE 100 2.157 44.236 22.944 1.00 0.00 ATOM 780 CB ILE 100 3.452 44.032 23.752 1.00 0.00 ATOM 781 CG1 ILE 100 4.142 45.375 24.003 1.00 0.00 ATOM 782 CG2 ILE 100 4.387 43.077 23.025 1.00 0.00 ATOM 783 CD1 ILE 100 4.557 46.094 22.739 1.00 0.00 ATOM 784 O ILE 100 1.030 42.243 23.627 1.00 0.00 ATOM 785 C ILE 100 1.525 42.873 22.688 1.00 0.00 ATOM 786 N GLU 101 1.854 42.299 21.542 1.00 0.00 ATOM 787 CA GLU 101 1.359 40.974 21.186 1.00 0.00 ATOM 788 CB GLU 101 0.328 41.073 20.059 1.00 0.00 ATOM 789 CG GLU 101 -0.300 39.744 19.664 1.00 0.00 ATOM 790 CD GLU 101 -1.397 39.938 18.654 1.00 0.00 ATOM 791 OE1 GLU 101 -1.118 40.440 17.592 1.00 0.00 ATOM 792 OE2 GLU 101 -2.489 39.481 18.897 1.00 0.00 ATOM 793 O GLU 101 3.562 40.684 20.378 1.00 0.00 ATOM 794 C GLU 101 2.548 40.111 20.785 1.00 0.00 ATOM 795 N ILE 102 2.664 38.928 21.385 1.00 0.00 ATOM 796 CA ILE 102 3.735 38.018 21.023 1.00 0.00 ATOM 797 CB ILE 102 4.047 37.031 22.162 1.00 0.00 ATOM 798 CG1 ILE 102 4.597 37.777 23.380 1.00 0.00 ATOM 799 CG2 ILE 102 5.032 35.971 21.693 1.00 0.00 ATOM 800 CD1 ILE 102 5.877 38.533 23.106 1.00 0.00 ATOM 801 O ILE 102 2.004 37.094 19.671 1.00 0.00 ATOM 802 C ILE 102 3.212 37.335 19.761 1.00 0.00 ATOM 803 N THR 103 4.012 37.331 18.702 1.00 0.00 ATOM 804 CA THR 103 3.599 36.711 17.440 1.00 0.00 ATOM 805 CB THR 103 3.544 37.741 16.297 1.00 0.00 ATOM 806 CG2 THR 103 2.567 38.857 16.630 1.00 0.00 ATOM 807 OG1 THR 103 4.848 38.299 16.090 1.00 0.00 ATOM 808 O THR 103 5.723 35.623 17.209 1.00 0.00 ATOM 809 C THR 103 4.512 35.576 17.008 1.00 0.00 ATOM 810 N LEU 104 3.917 34.553 16.401 1.00 0.00 ATOM 811 CA LEU 104 4.665 33.388 15.943 1.00 0.00 ATOM 812 CB LEU 104 3.927 32.099 16.313 1.00 0.00 ATOM 813 CG LEU 104 3.702 31.849 17.806 1.00 0.00 ATOM 814 CD1 LEU 104 2.889 30.585 18.023 1.00 0.00 ATOM 815 CD2 LEU 104 5.031 31.695 18.529 1.00 0.00 ATOM 816 O LEU 104 3.789 33.641 13.736 1.00 0.00 ATOM 817 C LEU 104 4.793 33.501 14.431 1.00 0.00 ATOM 818 N VAL 105 5.986 33.232 13.913 1.00 0.00 ATOM 819 CA VAL 105 6.220 33.338 12.480 1.00 0.00 ATOM 820 CB VAL 105 7.098 34.547 12.084 1.00 0.00 ATOM 821 CG1 VAL 105 7.092 34.721 10.568 1.00 0.00 ATOM 822 CG2 VAL 105 6.609 35.825 12.761 1.00 0.00 ATOM 823 O VAL 105 7.828 31.575 12.438 1.00 0.00 ATOM 824 C VAL 105 6.828 32.068 11.908 1.00 0.00 ATOM 825 N LYS 106 6.384 31.742 10.683 1.00 0.00 ATOM 826 CA LYS 106 6.888 30.549 10.010 1.00 0.00 ATOM 827 CB LYS 106 5.768 29.867 9.222 1.00 0.00 ATOM 828 CG LYS 106 4.647 29.315 10.086 1.00 0.00 ATOM 829 CD LYS 106 3.562 28.669 9.239 1.00 0.00 ATOM 830 CE LYS 106 2.445 28.113 10.105 1.00 0.00 ATOM 831 NZ LYS 106 1.413 27.408 9.294 1.00 0.00 ATOM 832 O LYS 106 8.633 30.039 8.448 1.00 0.00 ATOM 833 C LYS 106 7.998 30.914 9.046 1.00 0.00 ATOM 834 N SER 107 8.219 32.284 8.862 1.00 0.00 ATOM 835 CA SER 107 9.244 32.706 7.920 1.00 0.00 ATOM 836 CB SER 107 9.276 34.239 7.856 1.00 0.00 ATOM 837 OG SER 107 10.213 34.666 6.904 1.00 0.00 ATOM 838 O SER 107 10.553 32.263 9.897 1.00 0.00 ATOM 839 C SER 107 10.537 32.301 8.661 1.00 0.00 ATOM 840 N GLU 108 11.553 31.863 7.904 1.00 0.00 ATOM 841 CA GLU 108 12.800 31.421 8.540 1.00 0.00 ATOM 842 CB GLU 108 13.741 30.803 7.503 1.00 0.00 ATOM 843 CG GLU 108 13.283 29.456 6.963 1.00 0.00 ATOM 844 CD GLU 108 14.194 28.967 5.871 1.00 0.00 ATOM 845 OE1 GLU 108 15.095 29.685 5.509 1.00 0.00 ATOM 846 OE2 GLU 108 14.059 27.833 5.476 1.00 0.00 ATOM 847 O GLU 108 14.071 32.320 10.346 1.00 0.00 ATOM 848 C GLU 108 13.528 32.536 9.264 1.00 0.00 ATOM 849 N LYS 109 13.491 33.739 8.700 1.00 0.00 ATOM 850 CA LYS 109 14.146 34.861 9.367 1.00 0.00 ATOM 851 CB LYS 109 14.101 36.109 8.484 1.00 0.00 ATOM 852 CG LYS 109 14.804 37.324 9.076 1.00 0.00 ATOM 853 CD LYS 109 14.786 38.499 8.109 1.00 0.00 ATOM 854 CE LYS 109 15.459 39.723 8.712 1.00 0.00 ATOM 855 NZ LYS 109 15.431 40.887 7.785 1.00 0.00 ATOM 856 O LYS 109 14.141 34.934 11.727 1.00 0.00 ATOM 857 C LYS 109 13.473 35.115 10.709 1.00 0.00 ATOM 858 N PHE 110 12.156 35.082 10.769 1.00 0.00 ATOM 859 CA PHE 110 11.446 35.337 12.029 1.00 0.00 ATOM 860 CB PHE 110 10.075 36.020 11.696 1.00 0.00 ATOM 861 CG PHE 110 10.195 37.357 11.003 1.00 0.00 ATOM 862 CD1 PHE 110 11.371 38.116 11.095 1.00 0.00 ATOM 863 CD2 PHE 110 9.128 37.862 10.260 1.00 0.00 ATOM 864 CE1 PHE 110 11.479 39.353 10.458 1.00 0.00 ATOM 865 CE2 PHE 110 9.228 39.097 9.623 1.00 0.00 ATOM 866 CZ PHE 110 10.406 39.844 9.721 1.00 0.00 ATOM 867 O PHE 110 11.556 34.409 14.224 1.00 0.00 ATOM 868 C PHE 110 11.478 34.178 13.004 1.00 0.00 ATOM 869 N ASP 111 11.611 32.938 12.554 1.00 0.00 ATOM 870 CA ASP 111 11.765 31.808 13.467 1.00 0.00 ATOM 871 CB ASP 111 11.628 30.485 12.710 1.00 0.00 ATOM 872 CG ASP 111 11.622 29.249 13.599 1.00 0.00 ATOM 873 OD1 ASP 111 10.740 29.133 14.417 1.00 0.00 ATOM 874 OD2 ASP 111 12.401 28.360 13.351 1.00 0.00 ATOM 875 O ASP 111 13.183 31.688 15.395 1.00 0.00 ATOM 876 C ASP 111 13.108 31.878 14.178 1.00 0.00 ATOM 877 N GLU 112 14.130 32.307 13.446 1.00 0.00 ATOM 878 CA GLU 112 15.471 32.447 14.002 1.00 0.00 ATOM 879 CB GLU 112 16.480 32.759 12.895 1.00 0.00 ATOM 880 CG GLU 112 16.755 31.598 11.950 1.00 0.00 ATOM 881 CD GLU 112 17.653 32.015 10.818 1.00 0.00 ATOM 882 OE1 GLU 112 17.981 33.175 10.742 1.00 0.00 ATOM 883 OE2 GLU 112 18.103 31.157 10.097 1.00 0.00 ATOM 884 O GLU 112 16.104 33.406 16.102 1.00 0.00 ATOM 885 C GLU 112 15.454 33.541 15.060 1.00 0.00 ATOM 886 N LEU 113 14.766 34.659 14.783 1.00 0.00 ATOM 887 CA LEU 113 14.699 35.751 15.745 1.00 0.00 ATOM 888 CB LEU 113 13.994 36.963 15.123 1.00 0.00 ATOM 889 CG LEU 113 14.691 37.564 13.895 1.00 0.00 ATOM 890 CD1 LEU 113 13.906 38.765 13.384 1.00 0.00 ATOM 891 CD2 LEU 113 16.112 37.964 14.262 1.00 0.00 ATOM 892 O LEU 113 14.323 35.829 18.105 1.00 0.00 ATOM 893 C LEU 113 13.988 35.341 17.029 1.00 0.00 ATOM 894 N MET 114 12.913 34.572 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 10.925 33.335 17.615 1.00 0.00 ATOM 897 CG MET 114 10.058 32.829 18.760 1.00 0.00 ATOM 898 SD MET 114 8.631 31.887 18.187 1.00 0.00 ATOM 899 CE MET 114 9.419 30.372 17.646 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 18.326 1.00 0.00 ATOM 903 CA ALA 115 14.754 31.551 19.095 1.00 0.00 ATOM 904 CB ALA 115 15.451 30.546 18.180 1.00 0.00 ATOM 905 O ALA 115 16.025 32.201 21.013 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 16.642 35.107 20.968 1.00 0.00 ATOM 912 N ALA 117 15.417 35.573 20.818 1.00 0.00 ATOM 913 CA ALA 117 14.764 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 35.875 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 34.208 22.968 1.00 0.00 ATOM 918 CA ASN 118 13.840 33.388 24.119 1.00 0.00 ATOM 919 CB ASN 118 13.084 32.135 23.719 1.00 0.00 ATOM 920 CG ASN 118 11.659 32.391 23.313 1.00 0.00 ATOM 921 ND2 ASN 118 11.079 31.424 22.648 1.00 0.00 ATOM 922 OD1 ASN 118 11.069 33.420 23.659 1.00 0.00 ATOM 923 O ASN 118 15.111 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 24.196 1.00 0.00 ATOM 926 CA GLU 119 17.415 32.282 24.881 1.00 0.00 ATOM 927 CB GLU 119 18.445 31.770 23.871 1.00 0.00 ATOM 928 CG GLU 119 18.119 30.408 23.276 1.00 0.00 ATOM 929 CD GLU 119 19.097 30.035 22.197 1.00 0.00 ATOM 930 OE1 GLU 119 19.940 30.840 21.882 1.00 0.00 ATOM 931 OE2 GLU 119 19.075 28.906 21.767 1.00 0.00 ATOM 932 O GLU 119 18.391 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 34.595 24.980 1.00 0.00 ATOM 935 CA GLU 120 18.534 35.822 25.596 1.00 0.00 ATOM 936 CB GLU 120 18.618 36.945 24.560 1.00 0.00 ATOM 937 CG GLU 120 19.716 36.761 23.522 1.00 0.00 ATOM 938 CD GLU 120 19.662 37.837 22.473 1.00 0.00 ATOM 939 OE1 GLU 120 18.762 38.641 22.520 1.00 0.00 ATOM 940 OE2 GLU 120 20.580 37.924 21.692 1.00 0.00 ATOM 941 O GLU 120 18.165 36.764 27.786 1.00 0.00 ATOM 942 C GLU 120 17.649 36.252 26.769 1.00 0.00 ATOM 943 N LYS 121 16.339 36.088 26.623 1.00 0.00 ATOM 944 CA LYS 121 15.438 36.426 27.729 1.00 0.00 ATOM 945 CB LYS 121 13.979 36.277 27.296 1.00 0.00 ATOM 946 CG LYS 121 13.459 37.419 26.433 1.00 0.00 ATOM 947 CD LYS 121 12.092 37.093 25.849 1.00 0.00 ATOM 948 CE LYS 121 11.583 38.223 24.965 1.00 0.00 ATOM 949 NZ LYS 121 10.260 37.905 24.362 1.00 0.00 ATOM 950 O LYS 121 15.751 36.013 30.074 1.00 0.00 ATOM 951 C LYS 121 15.736 35.541 28.937 1.00 0.00 ATOM 952 N GLU 122 16.004 34.246 28.686 1.00 0.00 ATOM 953 CA GLU 122 16.308 33.311 29.769 1.00 0.00 ATOM 954 CB GLU 122 16.494 31.895 29.218 1.00 0.00 ATOM 955 CG GLU 122 15.212 31.239 28.727 1.00 0.00 ATOM 956 CD GLU 122 15.491 29.909 28.084 1.00 0.00 ATOM 957 OE1 GLU 122 16.641 29.558 27.964 1.00 0.00 ATOM 958 OE2 GLU 122 14.555 29.193 27.817 1.00 0.00 ATOM 959 O GLU 122 17.592 33.755 31.751 1.00 0.00 ATOM 960 C GLU 122 17.557 33.767 30.519 1.00 0.00 ATOM 961 N ASP 123 18.592 34.181 29.772 1.00 0.00 ATOM 962 CA ASP 123 19.818 34.628 30.416 1.00 0.00 ATOM 963 CB ASP 123 20.907 34.862 29.352 1.00 0.00 ATOM 964 CG ASP 123 21.490 33.562 28.790 1.00 0.00 ATOM 965 OD1 ASP 123 21.270 32.481 29.377 1.00 0.00 ATOM 966 OD2 ASP 123 22.197 33.625 27.757 1.00 0.00 ATOM 967 O ASP 123 20.178 36.167 32.244 1.00 0.00 ATOM 968 C ASP 123 19.576 35.935 31.189 1.00 0.00 ATOM 969 N ALA 124 18.686 36.763 30.653 1.00 0.00 ATOM 970 CA ALA 124 18.378 38.051 31.289 1.00 0.00 ATOM 971 CB ALA 124 17.421 38.854 30.422 1.00 0.00 ATOM 972 O ALA 124 17.946 38.619 33.574 1.00 0.00 ATOM 973 C ALA 124 17.728 37.838 32.654 1.00 0.00 ATOM 974 N GLU 125 16.816 36.873 32.717 1.00 0.00 ATOM 975 CA GLU 125 16.132 36.563 33.972 1.00 0.00 ATOM 976 CB GLU 125 15.117 35.437 33.765 1.00 0.00 ATOM 977 CG GLU 125 14.318 35.074 35.009 1.00 0.00 ATOM 978 CD GLU 125 13.316 33.991 34.718 1.00 0.00 ATOM 979 OE1 GLU 125 13.244 33.562 33.591 1.00 0.00 ATOM 980 OE2 GLU 125 12.702 33.514 35.643 1.00 0.00 ATOM 981 O GLU 125 17.184 36.688 36.140 1.00 0.00 ATOM 982 C GLU 125 17.190 36.185 35.021 1.00 0.00 ATOM 983 N THR 126 18.109 35.320 34.650 1.00 0.00 ATOM 984 CA THR 126 19.150 34.907 35.591 1.00 0.00 ATOM 985 CB THR 126 20.024 33.781 35.008 1.00 0.00 ATOM 986 CG2 THR 126 21.131 33.407 35.982 1.00 0.00 ATOM 987 OG1 THR 126 19.213 32.629 34.747 1.00 0.00 ATOM 988 O THR 126 20.275 36.331 37.162 1.00 0.00 ATOM 989 C THR 126 20.043 36.078 35.978 1.00 0.00 ATOM 990 N GLN 127 20.409 36.878 34.982 1.00 0.00 ATOM 991 CA GLN 127 21.268 38.038 35.210 1.00 0.00 ATOM 992 CB GLN 127 21.701 38.656 33.878 1.00 0.00 ATOM 993 CG GLN 127 22.657 39.828 34.017 1.00 0.00 ATOM 994 CD GLN 127 23.118 40.361 32.673 1.00 0.00 ATOM 995 OE1 GLN 127 22.696 39.877 31.620 1.00 0.00 ATOM 996 NE2 GLN 127 23.992 41.361 32.703 1.00 0.00 ATOM 997 O GLN 127 21.184 39.797 36.839 1.00 0.00 ATOM 998 C GLN 127 20.552 39.079 36.057 1.00 0.00 ATOM 999 N VAL 128 19.254 39.240 35.823 1.00 0.00 ATOM 1000 CA VAL 128 18.483 40.208 36.596 1.00 0.00 ATOM 1001 CB VAL 128 17.043 40.337 36.065 1.00 0.00 ATOM 1002 CG1 VAL 128 16.377 38.971 35.995 1.00 0.00 ATOM 1003 CG2 VAL 128 16.233 41.279 36.944 1.00 0.00 ATOM 1004 O VAL 128 18.423 40.672 38.937 1.00 0.00 ATOM 1005 C VAL 128 18.454 39.804 38.061 1.00 0.00 ATOM 1006 N GLN 129 18.198 38.538 38.369 1.00 0.00 ATOM 1007 CA GLN 129 18.208 38.079 39.761 1.00 0.00 ATOM 1008 CB GLN 129 17.897 36.582 39.835 1.00 0.00 ATOM 1009 CG GLN 129 16.453 36.229 39.520 1.00 0.00 ATOM 1010 CD GLN 129 16.213 34.732 39.504 1.00 0.00 ATOM 1011 OE1 GLN 129 17.143 33.938 39.671 1.00 0.00 ATOM 1012 NE2 GLN 129 14.962 34.336 39.298 1.00 0.00 ATOM 1013 O GLN 129 19.628 39.220 41.299 1.00 0.00 ATOM 1014 C GLN 129 19.555 38.362 40.416 1.00 0.00 ATOM 1015 N ASN 130 20.620 38.033 39.698 1.00 0.00 ATOM 1016 CA ASN 130 21.969 38.260 40.205 1.00 0.00 ATOM 1017 CB ASN 130 22.608 36.968 40.681 1.00 0.00 ATOM 1018 CG ASN 130 21.866 36.305 41.809 1.00 0.00 ATOM 1019 ND2 ASN 130 21.265 35.182 41.506 1.00 0.00 ATOM 1020 OD1 ASN 130 21.898 36.765 42.956 1.00 0.00 ATOM 1021 O ASN 130 23.936 39.342 39.462 1.00 0.00 ATOM 1022 C ASN 130 22.812 38.926 39.125 1.00 0.00 TER END