PFRMAT TS TARGET T0307 AUTHOR 5370-1100-4902 METHOD The SAM-T06 hand predictions use methods similar to SAM_T04 in CASP6 and METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method (implemented as the SAM_T06 server): METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. The hand method also uses the METHOD experimental new SAM-T06 alignment method, which we hope is both METHOD more sensitive and lass prone to contamination by unrelated sequences. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. METHOD METHOD We currently use 8 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 near-backbone-11 an 11-state discretization of the number of METHOD residues (represented by near-backbone points) in a METHOD 9.65 Angstrom radius sphere around the sidechain proxy METHOD spot for the residue. 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 We hope to add more networks for other alphabets over the summer. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 METHOD local structure) and use them to score a template library of about METHOD 8000 (t06), 10000 (t04), or 15000 (t2k) templates. METHOD The template libraries are expanded weekly, but old template HMMs METHOD are not rebuilt. METHOD 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 One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence. METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we still have not taken the time METHOD to optimize them), and the best templates ranked. 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 which tested METHOD best for alignment. METHOD METHOD Residue-residue contact predictions are made using mutual METHOD information, pairwise contact potentials, joint entropy, and other METHOD signals combined by a neural net. The contact prediction method METHOD is expected to evolve over the summer, as new features are METHOD selected and new networks trained. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into a METHOD consistent 3D model. No single alignment or parent template was METHOD used as a frozen core, though in many cases one had much more METHOD influence than the others. The alignment scores were not passed METHOD to undertaker, but were used only to pick the set of alignments METHOD and fragments that undertaker would see. Helix and strand METHOD constraints generated from the secondary-structure predictions are METHOD passed to undertaker to use in the cost function, as are the METHOD residue-residue contact prediction. METHOD METHOD One important change in this server over previous methods is that METHOD sheet constraints are extracted from the top few alignments and METHOD passed to undertaker. METHOD METHOD After the automatic prediction is done, we examine it by hand and try METHOD to fix any flaws that we see. This generally involves rerunning METHOD undertaker with new cost functions, increasing the weights for METHOD features we want to see and decreasing the weights where we think the METHOD optimization has gone overboard. Sometimes we will add new templates METHOD or remove ones that we think are misleading the optimization process. METHOD METHOD METHOD Model 1 is try24-opt2, optimized from a 4-helix bundle hand-built by ProteinShop. METHOD Model 2 is try26-opt2, edited then ptimized from a model built from METHOD alignments (probably mainly 1afvA). METHOD Model 3 is try3-opt2, built from alignments (probably mainly 1ireA) METHOD Model 4 is try1-opt2, the fully automatic model (probably mainly from METHOD an alignment to 1yqyA). METHOD Model 5 is try25-opt2, optimized from ROBETTA_TS4, the best-scoring METHOD server model with our cost functions. METHOD REMARK 6 REMARK 6 T0307 model 2 Tue Jul 11 08:18:12 2006 MODEL 2 PARENT 2aao_A 1a2x_A 1uhn_A 2mys_B 2aao_A REMARK 7 REMARK 7 ALLPARENTS 2aao_A 1a2x_A 1uhn_A 2mys_B 2aao_A 1a2x_A 1uhn_A REMARK 7 ALLPARENTS 2mys_B 1tn4 1ncx 1top 2ccm_A 1mvw_B 1pva_A REMARK 7 ALLPARENTS 1jk0_A 1afv_A 1jip_A 1go3_F 1osa 2scp_A 1aj4 REMARK 7 ALLPARENTS 1wdc_B 1eup_A 1yqy_A ATOM 1 N MET 1 6.990 3.243 -1.099 1.00 0.00 ATOM 2 CA MET 1 6.269 2.504 -0.096 1.00 0.00 ATOM 3 CB MET 1 4.639 2.868 -0.847 1.00 0.00 ATOM 4 CG MET 1 4.234 1.563 -1.508 1.00 0.00 ATOM 5 SD MET 1 2.672 1.732 -2.398 1.00 0.00 ATOM 6 CE MET 1 3.135 2.952 -3.622 1.00 0.00 ATOM 7 O MET 1 6.403 0.478 1.088 1.00 0.00 ATOM 8 C MET 1 6.986 1.253 0.336 1.00 0.00 ATOM 9 N GLY 2 8.200 1.021 -0.113 1.00 0.00 ATOM 10 CA GLY 2 8.968 -0.176 0.219 1.00 0.00 ATOM 11 O GLY 2 8.745 -2.537 -0.189 1.00 0.00 ATOM 12 C GLY 2 8.419 -1.378 -0.524 1.00 0.00 ATOM 13 N LEU 3 7.539 -1.223 -1.591 1.00 0.00 ATOM 14 CA LEU 3 6.965 -2.345 -2.326 1.00 0.00 ATOM 15 CB LEU 3 5.717 -1.904 -3.093 1.00 0.00 ATOM 16 CG LEU 3 4.538 -1.421 -2.247 1.00 0.00 ATOM 17 CD1 LEU 3 3.418 -0.897 -3.134 1.00 0.00 ATOM 18 CD2 LEU 3 3.981 -2.556 -1.402 1.00 0.00 ATOM 19 O LEU 3 8.623 -2.307 -4.050 1.00 0.00 ATOM 20 C LEU 3 7.961 -3.011 -3.275 1.00 0.00 ATOM 21 N GLY 4 8.065 -4.339 -3.247 1.00 0.00 ATOM 22 CA GLY 4 9.005 -5.063 -4.141 1.00 0.00 ATOM 23 O GLY 4 9.034 -6.242 -6.198 1.00 0.00 ATOM 24 C GLY 4 8.334 -5.757 -5.311 1.00 0.00 ATOM 25 N ARG 5 7.045 -5.763 -5.308 1.00 0.00 ATOM 26 CA ARG 5 6.284 -6.303 -6.438 1.00 0.00 ATOM 27 CB ARG 5 5.935 -7.755 -6.176 1.00 0.00 ATOM 28 CG ARG 5 7.139 -8.657 -6.125 1.00 0.00 ATOM 29 CD ARG 5 7.608 -9.083 -7.510 1.00 0.00 ATOM 30 NE ARG 5 8.713 -10.051 -7.455 1.00 0.00 ATOM 31 CZ ARG 5 9.980 -9.745 -7.247 1.00 0.00 ATOM 32 NH1 ARG 5 10.377 -8.480 -7.064 1.00 0.00 ATOM 33 NH2 ARG 5 10.879 -10.724 -7.230 1.00 0.00 ATOM 34 O ARG 5 4.382 -4.984 -5.783 1.00 0.00 ATOM 35 C ARG 5 5.058 -5.422 -6.712 1.00 0.00 ATOM 36 N GLN 6 4.793 -5.176 -7.997 1.00 0.00 ATOM 37 CA GLN 6 3.646 -4.362 -8.378 1.00 0.00 ATOM 38 CB GLN 6 3.611 -4.161 -9.894 1.00 0.00 ATOM 39 CG GLN 6 4.706 -3.250 -10.426 1.00 0.00 ATOM 40 CD GLN 6 4.723 -3.180 -11.939 1.00 0.00 ATOM 41 OE1 GLN 6 3.962 -3.876 -12.612 1.00 0.00 ATOM 42 NE2 GLN 6 5.595 -2.336 -12.482 1.00 0.00 ATOM 43 O GLN 6 1.529 -4.434 -7.267 1.00 0.00 ATOM 44 C GLN 6 2.352 -5.049 -7.945 1.00 0.00 ATOM 45 N SER 7 2.280 -6.411 -8.319 1.00 0.00 ATOM 46 CA SER 7 1.110 -7.182 -7.943 1.00 0.00 ATOM 47 CB SER 7 0.774 -8.208 -9.026 1.00 0.00 ATOM 48 OG SER 7 0.452 -7.571 -10.251 1.00 0.00 ATOM 49 O SER 7 0.338 -8.029 -5.849 1.00 0.00 ATOM 50 C SER 7 1.290 -7.955 -6.636 1.00 0.00 ATOM 51 N LEU 8 2.433 -8.629 -6.459 1.00 0.00 ATOM 52 CA LEU 8 2.663 -9.407 -5.244 1.00 0.00 ATOM 53 CB LEU 8 4.070 -9.984 -5.235 1.00 0.00 ATOM 54 CG LEU 8 4.273 -11.195 -6.160 1.00 0.00 ATOM 55 CD1 LEU 8 5.754 -11.402 -6.354 1.00 0.00 ATOM 56 CD2 LEU 8 3.602 -12.430 -5.582 1.00 0.00 ATOM 57 O LEU 8 1.792 -8.970 -3.066 1.00 0.00 ATOM 58 C LEU 8 2.461 -8.541 -4.008 1.00 0.00 ATOM 59 N ASN 9 3.176 -7.354 -4.122 1.00 0.00 ATOM 60 CA ASN 9 3.057 -6.474 -2.967 1.00 0.00 ATOM 61 CB ASN 9 3.908 -5.217 -3.203 1.00 0.00 ATOM 62 CG ASN 9 5.383 -5.556 -3.016 1.00 0.00 ATOM 63 ND2 ASN 9 6.242 -4.587 -3.326 1.00 0.00 ATOM 64 OD1 ASN 9 5.751 -6.667 -2.608 1.00 0.00 ATOM 65 O ASN 9 1.237 -5.978 -1.486 1.00 0.00 ATOM 66 C ASN 9 1.622 -6.069 -2.652 1.00 0.00 ATOM 67 N ILE 10 0.806 -5.816 -3.674 1.00 0.00 ATOM 68 CA ILE 10 -0.561 -5.368 -3.410 1.00 0.00 ATOM 69 CB ILE 10 -1.226 -4.751 -4.654 1.00 0.00 ATOM 70 CG1 ILE 10 -0.450 -3.509 -5.094 1.00 0.00 ATOM 71 CG2 ILE 10 -2.672 -4.354 -4.341 1.00 0.00 ATOM 72 CD1 ILE 10 -0.909 -2.943 -6.439 1.00 0.00 ATOM 73 O ILE 10 -2.201 -6.315 -1.909 1.00 0.00 ATOM 74 C ILE 10 -1.376 -6.512 -2.807 1.00 0.00 ATOM 75 N MET 11 -1.196 -7.725 -3.353 1.00 0.00 ATOM 76 CA MET 11 -1.835 -8.913 -2.790 1.00 0.00 ATOM 77 CB MET 11 -1.496 -10.175 -3.588 1.00 0.00 ATOM 78 CG MET 11 -2.018 -11.449 -2.942 1.00 0.00 ATOM 79 SD MET 11 -2.011 -12.882 -3.981 1.00 0.00 ATOM 80 CE MET 11 -0.262 -13.244 -4.134 1.00 0.00 ATOM 81 O MET 11 -2.383 -9.299 -0.478 1.00 0.00 ATOM 82 C MET 11 -1.498 -9.052 -1.300 1.00 0.00 ATOM 83 N THR 12 -0.228 -8.849 -0.952 1.00 0.00 ATOM 84 CA THR 12 0.221 -8.917 0.434 1.00 0.00 ATOM 85 CB THR 12 1.743 -8.719 0.559 1.00 0.00 ATOM 86 CG2 THR 12 2.166 -8.750 2.020 1.00 0.00 ATOM 87 OG1 THR 12 2.424 -9.765 -0.143 1.00 0.00 ATOM 88 O THR 12 -1.019 -8.087 2.362 1.00 0.00 ATOM 89 C THR 12 -0.472 -7.821 1.268 1.00 0.00 ATOM 90 N PHE 13 -0.495 -6.573 0.764 1.00 0.00 ATOM 91 CA PHE 13 -1.198 -5.493 1.469 1.00 0.00 ATOM 92 CB PHE 13 -0.839 -4.136 0.864 1.00 0.00 ATOM 93 CG PHE 13 0.544 -3.663 1.215 1.00 0.00 ATOM 94 CD1 PHE 13 1.309 -4.343 2.144 1.00 0.00 ATOM 95 CD2 PHE 13 1.080 -2.538 0.612 1.00 0.00 ATOM 96 CE1 PHE 13 2.580 -3.909 2.467 1.00 0.00 ATOM 97 CE2 PHE 13 2.351 -2.102 0.934 1.00 0.00 ATOM 98 CZ PHE 13 3.102 -2.783 1.856 1.00 0.00 ATOM 99 O PHE 13 -3.047 -6.226 0.169 1.00 0.00 ATOM 100 C PHE 13 -2.633 -5.863 1.267 1.00 0.00 ATOM 101 N SER 14 -3.470 -5.766 2.379 1.00 0.00 ATOM 102 CA SER 14 -4.912 -5.968 2.264 1.00 0.00 ATOM 103 CB SER 14 -5.540 -6.154 3.646 1.00 0.00 ATOM 104 OG SER 14 -5.480 -4.953 4.398 1.00 0.00 ATOM 105 O SER 14 -4.837 -3.711 1.436 1.00 0.00 ATOM 106 C SER 14 -5.503 -4.746 1.565 1.00 0.00 ATOM 107 N GLY 15 -6.728 -4.869 1.080 1.00 0.00 ATOM 108 CA GLY 15 -7.455 -3.759 0.480 1.00 0.00 ATOM 109 O GLY 15 -7.482 -1.402 1.113 1.00 0.00 ATOM 110 C GLY 15 -7.561 -2.598 1.500 1.00 0.00 ATOM 111 N GLN 16 -7.766 -2.935 2.785 1.00 0.00 ATOM 112 CA GLN 16 -7.900 -1.880 3.789 1.00 0.00 ATOM 113 CB GLN 16 -8.400 -2.460 5.114 1.00 0.00 ATOM 114 CG GLN 16 -9.844 -2.931 5.079 1.00 0.00 ATOM 115 CD GLN 16 -10.268 -3.601 6.371 1.00 0.00 ATOM 116 OE1 GLN 16 -9.455 -3.810 7.270 1.00 0.00 ATOM 117 NE2 GLN 16 -11.550 -3.941 6.466 1.00 0.00 ATOM 118 O GLN 16 -6.616 0.089 4.185 1.00 0.00 ATOM 119 C GLN 16 -6.581 -1.129 4.000 1.00 0.00 ATOM 120 N GLU 17 -5.514 -1.837 3.970 1.00 0.00 ATOM 121 CA GLU 17 -4.170 -1.257 4.185 1.00 0.00 ATOM 122 CB GLU 17 -3.123 -2.273 4.468 1.00 0.00 ATOM 123 CG GLU 17 -3.454 -2.987 5.785 1.00 0.00 ATOM 124 CD GLU 17 -3.028 -4.420 5.753 1.00 0.00 ATOM 125 OE1 GLU 17 -3.297 -5.213 6.633 1.00 0.00 ATOM 126 OE2 GLU 17 -2.325 -4.718 4.691 1.00 0.00 ATOM 127 O GLU 17 -3.127 0.684 3.234 1.00 0.00 ATOM 128 C GLU 17 -3.749 -0.359 3.026 1.00 0.00 ATOM 129 N LEU 18 -4.080 -0.762 1.817 1.00 0.00 ATOM 130 CA LEU 18 -3.747 0.024 0.637 1.00 0.00 ATOM 131 CB LEU 18 -4.082 -0.689 -0.676 1.00 0.00 ATOM 132 CG LEU 18 -3.215 -1.899 -1.029 1.00 0.00 ATOM 133 CD1 LEU 18 -3.767 -2.616 -2.253 1.00 0.00 ATOM 134 CD2 LEU 18 -1.789 -1.467 -1.334 1.00 0.00 ATOM 135 O LEU 18 -3.951 2.414 0.466 1.00 0.00 ATOM 136 C LEU 18 -4.523 1.336 0.700 1.00 0.00 ATOM 137 N THR 19 -5.821 1.267 1.030 1.00 0.00 ATOM 138 CA THR 19 -6.599 2.509 1.108 1.00 0.00 ATOM 139 CB THR 19 -8.086 2.227 1.389 1.00 0.00 ATOM 140 CG2 THR 19 -8.682 1.362 0.289 1.00 0.00 ATOM 141 OG1 THR 19 -8.217 1.540 2.641 1.00 0.00 ATOM 142 O THR 19 -6.079 4.665 2.041 1.00 0.00 ATOM 143 C THR 19 -6.076 3.442 2.199 1.00 0.00 ATOM 144 N ALA 20 -5.578 2.858 3.266 1.00 0.00 ATOM 145 CA ALA 20 -5.041 3.652 4.364 1.00 0.00 ATOM 146 CB ALA 20 -4.625 2.759 5.541 1.00 0.00 ATOM 147 O ALA 20 -3.677 5.642 4.174 1.00 0.00 ATOM 148 C ALA 20 -3.831 4.447 3.902 1.00 0.00 ATOM 149 N ILE 21 -2.922 3.758 3.197 1.00 0.00 ATOM 150 CA ILE 21 -1.731 4.438 2.685 1.00 0.00 ATOM 151 CB ILE 21 -0.735 3.457 1.999 1.00 0.00 ATOM 152 CG1 ILE 21 -0.179 2.485 3.047 1.00 0.00 ATOM 153 CG2 ILE 21 0.356 4.246 1.250 1.00 0.00 ATOM 154 CD1 ILE 21 0.478 1.226 2.469 1.00 0.00 ATOM 155 O ILE 21 -1.476 6.612 1.748 1.00 0.00 ATOM 156 C ILE 21 -2.088 5.534 1.711 1.00 0.00 ATOM 157 N ILE 22 -3.054 5.292 0.814 1.00 0.00 ATOM 158 CA ILE 22 -3.450 6.313 -0.158 1.00 0.00 ATOM 159 CB ILE 22 -4.524 5.771 -1.119 1.00 0.00 ATOM 160 CG1 ILE 22 -3.938 4.678 -2.015 1.00 0.00 ATOM 161 CG2 ILE 22 -5.058 6.886 -2.006 1.00 0.00 ATOM 162 CD1 ILE 22 -4.977 3.909 -2.800 1.00 0.00 ATOM 163 O ILE 22 -3.747 8.677 0.135 1.00 0.00 ATOM 164 C ILE 22 -4.013 7.548 0.541 1.00 0.00 ATOM 165 N LYS 23 -4.802 7.317 1.610 1.00 0.00 ATOM 166 CA LYS 23 -5.378 8.451 2.333 1.00 0.00 ATOM 167 CB LYS 23 -6.312 7.958 3.440 1.00 0.00 ATOM 168 CG LYS 23 -7.026 9.073 4.190 1.00 0.00 ATOM 169 CD LYS 23 -8.009 8.513 5.204 1.00 0.00 ATOM 170 CE LYS 23 -8.726 9.626 5.950 1.00 0.00 ATOM 171 NZ LYS 23 -9.705 9.093 6.937 1.00 0.00 ATOM 172 O LYS 23 -4.292 10.497 2.966 1.00 0.00 ATOM 173 C LYS 23 -4.242 9.267 2.936 1.00 0.00 ATOM 174 N MET 24 -3.205 8.574 3.437 1.00 0.00 ATOM 175 CA MET 24 -2.064 9.252 4.033 1.00 0.00 ATOM 176 CB MET 24 -1.073 8.225 4.586 1.00 0.00 ATOM 177 CG MET 24 -1.567 7.485 5.817 1.00 0.00 ATOM 178 SD MET 24 -0.418 6.212 6.372 1.00 0.00 ATOM 179 CE MET 24 0.916 7.218 7.017 1.00 0.00 ATOM 180 O MET 24 -1.007 11.238 3.189 1.00 0.00 ATOM 181 C MET 24 -1.359 10.082 2.958 1.00 0.00 ATOM 182 N ALA 25 -1.134 9.472 1.779 1.00 0.00 ATOM 183 CA ALA 25 -0.467 10.161 0.677 1.00 0.00 ATOM 184 CB ALA 25 -0.251 9.272 -0.513 1.00 0.00 ATOM 185 O ALA 25 -0.677 12.395 0.051 1.00 0.00 ATOM 186 C ALA 25 -1.327 11.363 0.271 1.00 0.00 ATOM 187 N LYS 26 -2.632 11.257 0.152 1.00 0.00 ATOM 188 CA LYS 26 -3.480 12.398 -0.227 1.00 0.00 ATOM 189 CB LYS 26 -4.954 11.987 -0.259 1.00 0.00 ATOM 190 CG LYS 26 -5.317 11.066 -1.414 1.00 0.00 ATOM 191 CD LYS 26 -6.792 10.700 -1.386 1.00 0.00 ATOM 192 CE LYS 26 -7.148 9.760 -2.525 1.00 0.00 ATOM 193 NZ LYS 26 -8.584 9.366 -2.492 1.00 0.00 ATOM 194 O LYS 26 -3.319 14.711 0.348 1.00 0.00 ATOM 195 C LYS 26 -3.356 13.546 0.771 1.00 0.00 ATOM 196 N SER 27 -3.284 13.188 2.029 1.00 0.00 ATOM 197 CA SER 27 -3.194 14.211 3.094 1.00 0.00 ATOM 198 CB SER 27 -3.273 13.557 4.475 1.00 0.00 ATOM 199 OG SER 27 -4.536 12.951 4.682 1.00 0.00 ATOM 200 O SER 27 -1.887 16.132 3.630 1.00 0.00 ATOM 201 C SER 27 -1.912 15.027 3.091 1.00 0.00 ATOM 202 N MET 28 -0.843 14.528 2.490 1.00 0.00 ATOM 203 CA MET 28 0.402 15.275 2.374 1.00 0.00 ATOM 204 CB MET 28 1.504 14.432 1.729 1.00 0.00 ATOM 205 CG MET 28 1.985 13.276 2.592 1.00 0.00 ATOM 206 SD MET 28 3.435 12.452 1.906 1.00 0.00 ATOM 207 CE MET 28 2.699 11.543 0.549 1.00 0.00 ATOM 208 O MET 28 0.903 17.557 1.821 1.00 0.00 ATOM 209 C MET 28 0.261 16.545 1.538 1.00 0.00 ATOM 210 N VAL 29 -0.565 16.527 0.515 1.00 0.00 ATOM 211 CA VAL 29 -0.780 17.681 -0.350 1.00 0.00 ATOM 212 CB VAL 29 -0.647 17.305 -1.838 1.00 0.00 ATOM 213 CG1 VAL 29 0.773 16.857 -2.149 1.00 0.00 ATOM 214 CG2 VAL 29 -1.597 16.171 -2.188 1.00 0.00 ATOM 215 O VAL 29 -2.739 18.876 -1.010 1.00 0.00 ATOM 216 C VAL 29 -2.162 18.242 -0.132 1.00 0.00 ATOM 217 N MET 30 -2.689 17.894 0.957 1.00 0.00 ATOM 218 CA MET 30 -3.992 18.435 1.302 1.00 0.00 ATOM 219 CB MET 30 -4.886 17.342 1.894 1.00 0.00 ATOM 220 CG MET 30 -6.346 17.745 2.038 1.00 0.00 ATOM 221 SD MET 30 -7.317 17.378 0.565 1.00 0.00 ATOM 222 CE MET 30 -7.317 18.975 -0.248 1.00 0.00 ATOM 223 O MET 30 -4.639 19.752 3.211 1.00 0.00 ATOM 224 C MET 30 -3.796 19.544 2.331 1.00 0.00 ATOM 225 N ALA 31 -2.421 20.428 1.918 1.00 0.00 ATOM 226 CA ALA 31 -1.918 21.130 3.136 1.00 0.00 ATOM 227 CB ALA 31 -2.713 22.404 3.380 1.00 0.00 ATOM 228 O ALA 31 -3.082 20.184 5.008 1.00 0.00 ATOM 229 C ALA 31 -2.047 20.239 4.375 1.00 0.00 ATOM 230 N ASP 32 -0.998 19.551 4.733 1.00 0.00 ATOM 231 CA ASP 32 -1.062 18.665 5.932 1.00 0.00 ATOM 232 CB ASP 32 -1.427 17.236 5.524 1.00 0.00 ATOM 233 CG ASP 32 -1.751 16.355 6.714 1.00 0.00 ATOM 234 OD1 ASP 32 -1.971 16.902 7.816 1.00 0.00 ATOM 235 OD2 ASP 32 -1.787 15.118 6.546 1.00 0.00 ATOM 236 O ASP 32 0.887 17.553 6.760 1.00 0.00 ATOM 237 C ASP 32 0.274 18.620 6.658 1.00 0.00 ATOM 238 N GLY 33 0.747 19.800 7.146 1.00 0.00 ATOM 239 CA GLY 33 2.009 19.883 7.864 1.00 0.00 ATOM 240 O GLY 33 4.287 20.444 7.376 1.00 0.00 ATOM 241 C GLY 33 3.141 20.404 6.977 1.00 0.00 ATOM 242 N LYS 34 2.825 20.805 5.777 1.00 0.00 ATOM 243 CA LYS 34 3.878 21.327 4.857 1.00 0.00 ATOM 244 CB LYS 34 3.408 21.257 3.404 1.00 0.00 ATOM 245 CG LYS 34 2.083 21.955 3.145 1.00 0.00 ATOM 246 CD LYS 34 1.599 21.715 1.724 1.00 0.00 ATOM 247 CE LYS 34 1.209 20.260 1.511 1.00 0.00 ATOM 248 NZ LYS 34 0.666 20.026 0.145 1.00 0.00 ATOM 249 O LYS 34 3.204 23.547 5.549 1.00 0.00 ATOM 250 C LYS 34 4.124 22.774 5.263 1.00 0.00 ATOM 251 N ILE 35 4.989 21.899 6.031 1.00 0.00 ATOM 252 CA ILE 35 6.282 22.314 6.566 1.00 0.00 ATOM 253 CB ILE 35 6.365 21.844 8.001 1.00 0.00 ATOM 254 CG1 ILE 35 5.369 22.635 8.850 1.00 0.00 ATOM 255 CG2 ILE 35 7.779 22.137 8.536 1.00 0.00 ATOM 256 CD1 ILE 35 5.270 22.097 10.278 1.00 0.00 ATOM 257 O ILE 35 7.278 20.373 5.596 1.00 0.00 ATOM 258 C ILE 35 7.380 21.592 5.799 1.00 0.00 ATOM 259 N LYS 36 8.851 22.186 7.487 1.00 0.00 ATOM 260 CA LYS 36 10.209 21.736 7.064 1.00 0.00 ATOM 261 CB LYS 36 11.251 22.468 7.920 1.00 0.00 ATOM 262 CG LYS 36 10.915 23.958 8.122 1.00 0.00 ATOM 263 CD LYS 36 11.952 24.614 9.010 1.00 0.00 ATOM 264 CE LYS 36 11.898 26.131 8.911 1.00 0.00 ATOM 265 NZ LYS 36 13.276 26.731 9.008 1.00 0.00 ATOM 266 O LYS 36 9.734 19.443 7.576 1.00 0.00 ATOM 267 C LYS 36 10.518 20.365 7.668 1.00 0.00 ATOM 268 N PRO 37 11.989 20.081 8.396 1.00 0.00 ATOM 269 CA PRO 37 12.479 18.803 8.935 1.00 0.00 ATOM 270 CB PRO 37 13.907 19.115 9.386 1.00 0.00 ATOM 271 CG PRO 37 13.933 20.598 9.544 1.00 0.00 ATOM 272 CD PRO 37 13.001 21.147 8.499 1.00 0.00 ATOM 273 O PRO 37 11.507 17.041 10.189 1.00 0.00 ATOM 274 C PRO 37 11.688 18.240 10.108 1.00 0.00 ATOM 275 N ALA 38 11.257 19.100 11.022 1.00 0.00 ATOM 276 CA ALA 38 10.501 18.652 12.181 1.00 0.00 ATOM 277 CB ALA 38 10.055 19.844 13.016 1.00 0.00 ATOM 278 O ALA 38 8.950 16.835 12.394 1.00 0.00 ATOM 279 C ALA 38 9.219 17.894 11.824 1.00 0.00 ATOM 280 N GLU 39 8.436 18.439 10.908 1.00 0.00 ATOM 281 CA GLU 39 7.196 17.788 10.480 1.00 0.00 ATOM 282 CB GLU 39 6.408 18.718 9.558 1.00 0.00 ATOM 283 CG GLU 39 5.060 18.166 9.122 1.00 0.00 ATOM 284 CD GLU 39 4.088 18.025 10.277 1.00 0.00 ATOM 285 OE1 GLU 39 4.391 18.536 11.375 1.00 0.00 ATOM 286 OE2 GLU 39 3.022 17.403 10.083 1.00 0.00 ATOM 287 O GLU 39 6.914 15.504 9.808 1.00 0.00 ATOM 288 C GLU 39 7.611 16.515 9.739 1.00 0.00 ATOM 289 N ILE 40 8.499 16.494 8.521 1.00 0.00 ATOM 290 CA ILE 40 9.005 15.271 7.864 1.00 0.00 ATOM 291 CB ILE 40 10.308 15.608 7.040 1.00 0.00 ATOM 292 CG1 ILE 40 9.977 16.510 5.845 1.00 0.00 ATOM 293 CG2 ILE 40 10.968 14.323 6.548 1.00 0.00 ATOM 294 CD1 ILE 40 11.222 17.057 5.129 1.00 0.00 ATOM 295 O ILE 40 8.958 13.009 8.671 1.00 0.00 ATOM 296 C ILE 40 9.278 14.177 8.896 1.00 0.00 ATOM 297 N ALA 41 9.856 14.558 10.033 1.00 0.00 ATOM 298 CA ALA 41 10.158 13.610 11.106 1.00 0.00 ATOM 299 CB ALA 41 10.987 14.281 12.190 1.00 0.00 ATOM 300 O ALA 41 8.802 11.873 12.020 1.00 0.00 ATOM 301 C ALA 41 8.896 13.070 11.757 1.00 0.00 ATOM 302 N VAL 42 7.995 13.937 12.056 1.00 0.00 ATOM 303 CA VAL 42 6.719 13.551 12.670 1.00 0.00 ATOM 304 CB VAL 42 5.817 14.775 12.916 1.00 0.00 ATOM 305 CG1 VAL 42 4.432 14.335 13.364 1.00 0.00 ATOM 306 CG2 VAL 42 6.412 15.665 13.997 1.00 0.00 ATOM 307 O VAL 42 5.455 11.599 12.130 1.00 0.00 ATOM 308 C VAL 42 6.036 12.599 11.712 1.00 0.00 ATOM 309 N MET 43 6.249 12.879 10.421 1.00 0.00 ATOM 310 CA MET 43 5.622 12.073 9.383 1.00 0.00 ATOM 311 CB MET 43 5.753 12.758 8.021 1.00 0.00 ATOM 312 CG MET 43 5.036 12.035 6.891 1.00 0.00 ATOM 313 SD MET 43 3.254 11.946 7.142 1.00 0.00 ATOM 314 CE MET 43 2.783 13.647 6.837 1.00 0.00 ATOM 315 O MET 43 5.623 9.676 9.222 1.00 0.00 ATOM 316 C MET 43 6.301 10.697 9.312 1.00 0.00 ATOM 317 N THR 44 7.622 10.652 9.435 1.00 0.00 ATOM 318 CA THR 44 8.358 9.369 9.446 1.00 0.00 ATOM 319 CB THR 44 9.878 9.591 9.543 1.00 0.00 ATOM 320 CG2 THR 44 10.609 8.259 9.592 1.00 0.00 ATOM 321 OG1 THR 44 10.332 10.328 8.401 1.00 0.00 ATOM 322 O THR 44 7.651 7.334 10.524 1.00 0.00 ATOM 323 C THR 44 7.911 8.533 10.650 1.00 0.00 ATOM 324 N ARG 45 7.808 9.172 11.797 1.00 0.00 ATOM 325 CA ARG 45 7.389 8.481 13.014 1.00 0.00 ATOM 326 CB ARG 45 7.540 9.399 14.220 1.00 0.00 ATOM 327 CG ARG 45 6.893 8.950 15.527 1.00 0.00 ATOM 328 CD ARG 45 6.874 10.129 16.499 1.00 0.00 ATOM 329 NE ARG 45 8.143 10.829 16.425 1.00 0.00 ATOM 330 CZ ARG 45 8.300 12.151 16.412 1.00 0.00 ATOM 331 NH1 ARG 45 7.262 12.981 16.484 1.00 0.00 ATOM 332 NH2 ARG 45 9.516 12.646 16.264 1.00 0.00 ATOM 333 O ARG 45 5.589 6.849 13.318 1.00 0.00 ATOM 334 C ARG 45 5.944 7.947 12.872 1.00 0.00 ATOM 335 N GLU 46 5.095 8.758 12.285 1.00 0.00 ATOM 336 CA GLU 46 3.713 8.359 12.042 1.00 0.00 ATOM 337 CB GLU 46 2.935 9.501 11.384 1.00 0.00 ATOM 338 CG GLU 46 1.468 9.187 11.136 1.00 0.00 ATOM 339 CD GLU 46 0.721 10.352 10.514 1.00 0.00 ATOM 340 OE1 GLU 46 1.348 11.408 10.291 1.00 0.00 ATOM 341 OE2 GLU 46 -0.492 10.207 10.250 1.00 0.00 ATOM 342 O GLU 46 2.877 6.204 11.385 1.00 0.00 ATOM 343 C GLU 46 3.633 7.138 11.114 1.00 0.00 ATOM 344 N PHE 47 4.412 7.141 10.020 1.00 0.00 ATOM 345 CA PHE 47 4.493 6.018 9.120 1.00 0.00 ATOM 346 CB PHE 47 5.487 6.306 7.992 1.00 0.00 ATOM 347 CG PHE 47 5.661 5.164 7.031 1.00 0.00 ATOM 348 CD1 PHE 47 4.728 4.932 6.036 1.00 0.00 ATOM 349 CD2 PHE 47 6.756 4.324 7.122 1.00 0.00 ATOM 350 CE1 PHE 47 4.886 3.881 5.151 1.00 0.00 ATOM 351 CE2 PHE 47 6.915 3.275 6.237 1.00 0.00 ATOM 352 CZ PHE 47 5.986 3.051 5.255 1.00 0.00 ATOM 353 O PHE 47 4.377 3.686 9.656 1.00 0.00 ATOM 354 C PHE 47 4.971 4.749 9.820 1.00 0.00 ATOM 355 N MET 48 6.072 4.863 10.599 1.00 0.00 ATOM 356 CA MET 48 6.630 3.714 11.306 1.00 0.00 ATOM 357 CB MET 48 7.854 4.104 12.113 1.00 0.00 ATOM 358 CG MET 48 9.043 4.480 11.234 1.00 0.00 ATOM 359 SD MET 48 9.309 3.320 9.863 1.00 0.00 ATOM 360 CE MET 48 10.040 1.909 10.717 1.00 0.00 ATOM 361 O MET 48 5.695 1.808 12.455 1.00 0.00 ATOM 362 C MET 48 5.667 3.043 12.309 1.00 0.00 ATOM 363 N ARG 49 4.806 3.836 12.946 1.00 0.00 ATOM 364 CA ARG 49 3.775 3.305 13.884 1.00 0.00 ATOM 365 CB ARG 49 3.422 4.574 14.921 1.00 0.00 ATOM 366 CG ARG 49 4.454 5.687 15.089 1.00 0.00 ATOM 367 CD ARG 49 3.910 6.958 15.733 1.00 0.00 ATOM 368 NE ARG 49 2.454 7.046 15.669 1.00 0.00 ATOM 369 CZ ARG 49 1.738 8.013 16.232 1.00 0.00 ATOM 370 NH1 ARG 49 2.341 8.996 16.888 1.00 0.00 ATOM 371 NH2 ARG 49 0.416 8.005 16.136 1.00 0.00 ATOM 372 O ARG 49 1.518 2.444 13.883 1.00 0.00 ATOM 373 C ARG 49 2.465 2.903 13.198 1.00 0.00 ATOM 374 N PHE 50 2.375 3.114 11.887 1.00 0.00 ATOM 375 CA PHE 50 1.108 2.864 11.153 1.00 0.00 ATOM 376 CB PHE 50 1.236 3.309 9.694 1.00 0.00 ATOM 377 CG PHE 50 -0.027 3.144 8.898 1.00 0.00 ATOM 378 CD1 PHE 50 -1.066 4.049 9.024 1.00 0.00 ATOM 379 CD2 PHE 50 -0.175 2.084 8.020 1.00 0.00 ATOM 380 CE1 PHE 50 -2.228 3.896 8.291 1.00 0.00 ATOM 381 CE2 PHE 50 -1.336 1.932 7.288 1.00 0.00 ATOM 382 CZ PHE 50 -2.360 2.832 7.420 1.00 0.00 ATOM 383 O PHE 50 1.744 0.526 11.141 1.00 0.00 ATOM 384 C PHE 50 0.816 1.364 11.207 1.00 0.00 ATOM 385 N GLY 51 -0.236 1.015 12.842 1.00 0.00 ATOM 386 CA GLY 51 -0.165 -0.399 13.224 1.00 0.00 ATOM 387 O GLY 51 0.563 -2.470 12.210 1.00 0.00 ATOM 388 C GLY 51 -0.031 -1.387 12.078 1.00 0.00 ATOM 389 N ILE 52 -0.595 -1.030 10.902 1.00 0.00 ATOM 390 CA ILE 52 -0.495 -1.904 9.748 1.00 0.00 ATOM 391 CB ILE 52 -1.183 -1.290 8.514 1.00 0.00 ATOM 392 CG1 ILE 52 -2.685 -1.133 8.764 1.00 0.00 ATOM 393 CG2 ILE 52 -0.988 -2.180 7.297 1.00 0.00 ATOM 394 CD1 ILE 52 -3.393 -2.435 9.071 1.00 0.00 ATOM 395 O ILE 52 1.271 -3.256 8.834 1.00 0.00 ATOM 396 C ILE 52 0.954 -2.186 9.353 1.00 0.00 ATOM 397 N LEU 53 1.873 -1.201 9.497 1.00 0.00 ATOM 398 CA LEU 53 3.280 -1.350 9.140 1.00 0.00 ATOM 399 CB LEU 53 4.066 -0.095 9.523 1.00 0.00 ATOM 400 CG LEU 53 5.565 -0.111 9.214 1.00 0.00 ATOM 401 CD1 LEU 53 5.804 -0.221 7.716 1.00 0.00 ATOM 402 CD2 LEU 53 6.229 1.163 9.711 1.00 0.00 ATOM 403 O LEU 53 4.408 -3.465 9.246 1.00 0.00 ATOM 404 C LEU 53 3.877 -2.545 9.873 1.00 0.00 ATOM 405 N GLN 54 3.716 -2.585 11.273 1.00 0.00 ATOM 406 CA GLN 54 4.219 -3.689 12.075 1.00 0.00 ATOM 407 CB GLN 54 3.966 -3.432 13.562 1.00 0.00 ATOM 408 CG GLN 54 4.822 -2.326 14.155 1.00 0.00 ATOM 409 CD GLN 54 4.465 -2.023 15.597 1.00 0.00 ATOM 410 OE1 GLN 54 3.509 -2.576 16.140 1.00 0.00 ATOM 411 NE2 GLN 54 5.233 -1.138 16.222 1.00 0.00 ATOM 412 O GLN 54 4.089 -6.062 11.760 1.00 0.00 ATOM 413 C GLN 54 3.508 -4.980 11.687 1.00 0.00 ATOM 414 N ASP 55 2.238 -4.853 11.333 1.00 0.00 ATOM 415 CA ASP 55 1.500 -6.053 10.932 1.00 0.00 ATOM 416 CB ASP 55 0.056 -5.671 10.605 1.00 0.00 ATOM 417 CG ASP 55 -0.760 -5.358 11.844 1.00 0.00 ATOM 418 OD1 ASP 55 -0.285 -5.662 12.959 1.00 0.00 ATOM 419 OD2 ASP 55 -1.872 -4.808 11.701 1.00 0.00 ATOM 420 O ASP 55 2.238 -7.857 9.552 1.00 0.00 ATOM 421 C ASP 55 2.137 -6.639 9.693 1.00 0.00 ATOM 422 N GLN 56 2.517 -5.765 8.823 1.00 0.00 ATOM 423 CA GLN 56 3.178 -6.199 7.616 1.00 0.00 ATOM 424 CB GLN 56 3.417 -5.033 6.654 1.00 0.00 ATOM 425 CG GLN 56 2.145 -4.366 6.158 1.00 0.00 ATOM 426 CD GLN 56 1.248 -5.318 5.394 1.00 0.00 ATOM 427 OE1 GLN 56 1.713 -6.074 4.539 1.00 0.00 ATOM 428 NE2 GLN 56 -0.045 -5.286 5.697 1.00 0.00 ATOM 429 O GLN 56 4.911 -7.831 7.324 1.00 0.00 ATOM 430 C GLN 56 4.525 -6.835 7.937 1.00 0.00 ATOM 431 N VAL 57 5.256 -6.264 8.907 1.00 0.00 ATOM 432 CA VAL 57 6.553 -6.810 9.281 1.00 0.00 ATOM 433 CB VAL 57 7.194 -5.945 10.382 1.00 0.00 ATOM 434 CG1 VAL 57 8.427 -6.632 10.950 1.00 0.00 ATOM 435 CG2 VAL 57 7.611 -4.594 9.821 1.00 0.00 ATOM 436 O VAL 57 7.169 -9.137 9.534 1.00 0.00 ATOM 437 C VAL 57 6.386 -8.236 9.844 1.00 0.00 ATOM 438 N ASP 58 5.387 -8.436 10.705 1.00 0.00 ATOM 439 CA ASP 58 5.146 -9.751 11.288 1.00 0.00 ATOM 440 CB ASP 58 3.974 -9.697 12.269 1.00 0.00 ATOM 441 CG ASP 58 4.328 -8.984 13.560 1.00 0.00 ATOM 442 OD1 ASP 58 5.530 -8.743 13.795 1.00 0.00 ATOM 443 OD2 ASP 58 3.403 -8.667 14.337 1.00 0.00 ATOM 444 O ASP 58 5.246 -11.932 10.242 1.00 0.00 ATOM 445 C ASP 58 4.810 -10.780 10.184 1.00 0.00 ATOM 446 N LEU 59 3.948 -10.368 9.200 1.00 0.00 ATOM 447 CA LEU 59 3.579 -11.219 8.075 1.00 0.00 ATOM 448 CB LEU 59 2.568 -10.508 7.175 1.00 0.00 ATOM 449 CG LEU 59 1.166 -10.304 7.758 1.00 0.00 ATOM 450 CD1 LEU 59 0.324 -9.433 6.840 1.00 0.00 ATOM 451 CD2 LEU 59 0.457 -11.638 7.929 1.00 0.00 ATOM 452 O LEU 59 4.954 -12.759 6.839 1.00 0.00 ATOM 453 C LEU 59 4.780 -11.591 7.207 1.00 0.00 ATOM 454 N LEU 60 5.638 -10.620 6.906 1.00 0.00 ATOM 455 CA LEU 60 6.806 -10.912 6.073 1.00 0.00 ATOM 456 CB LEU 60 7.559 -9.655 5.715 1.00 0.00 ATOM 457 CG LEU 60 6.718 -8.620 4.973 1.00 0.00 ATOM 458 CD1 LEU 60 7.541 -7.362 4.735 1.00 0.00 ATOM 459 CD2 LEU 60 6.227 -9.213 3.676 1.00 0.00 ATOM 460 O LEU 60 8.354 -12.764 6.184 1.00 0.00 ATOM 461 C LEU 60 7.789 -11.842 6.787 1.00 0.00 ATOM 462 N LEU 61 7.999 -11.616 8.076 1.00 0.00 ATOM 463 CA LEU 61 8.913 -12.462 8.824 1.00 0.00 ATOM 464 CB LEU 61 9.169 -11.874 10.213 1.00 0.00 ATOM 465 CG LEU 61 9.961 -10.566 10.259 1.00 0.00 ATOM 466 CD1 LEU 61 9.989 -10.003 11.671 1.00 0.00 ATOM 467 CD2 LEU 61 11.397 -10.789 9.808 1.00 0.00 ATOM 468 O LEU 61 9.089 -14.860 8.840 1.00 0.00 ATOM 469 C LEU 61 8.347 -13.881 8.911 1.00 0.00 ATOM 470 N LYS 62 7.057 -13.950 9.064 1.00 0.00 ATOM 471 CA LYS 62 6.389 -15.247 9.129 1.00 0.00 ATOM 472 CB LYS 62 4.888 -15.101 9.389 1.00 0.00 ATOM 473 CG LYS 62 4.154 -16.424 9.536 1.00 0.00 ATOM 474 CD LYS 62 2.687 -16.207 9.868 1.00 0.00 ATOM 475 CE LYS 62 1.946 -17.529 9.987 1.00 0.00 ATOM 476 NZ LYS 62 0.504 -17.331 10.299 1.00 0.00 ATOM 477 O LYS 62 6.910 -17.153 7.752 1.00 0.00 ATOM 478 C LYS 62 6.625 -15.952 7.793 1.00 0.00 ATOM 479 N ALA 63 6.499 -15.205 6.703 1.00 0.00 ATOM 480 CA ALA 63 6.724 -15.759 5.357 1.00 0.00 ATOM 481 CB ALA 63 6.467 -14.699 4.297 1.00 0.00 ATOM 482 O ALA 63 8.466 -17.160 4.548 1.00 0.00 ATOM 483 C ALA 63 8.176 -16.226 5.283 1.00 0.00 ATOM 484 N SER 64 9.066 -15.552 6.017 1.00 0.00 ATOM 485 CA SER 64 10.483 -15.890 5.991 1.00 0.00 ATOM 486 CB SER 64 11.278 -14.939 6.888 1.00 0.00 ATOM 487 OG SER 64 11.258 -13.618 6.375 1.00 0.00 ATOM 488 O SER 64 11.453 -18.088 5.863 1.00 0.00 ATOM 489 C SER 64 10.709 -17.320 6.488 1.00 0.00 ATOM 490 N ASP 65 10.105 -17.574 7.738 1.00 0.00 ATOM 491 CA ASP 65 10.350 -18.877 8.360 1.00 0.00 ATOM 492 CB ASP 65 10.376 -18.747 9.884 1.00 0.00 ATOM 493 CG ASP 65 11.529 -17.894 10.376 1.00 0.00 ATOM 494 OD1 ASP 65 12.687 -18.197 10.019 1.00 0.00 ATOM 495 OD2 ASP 65 11.274 -16.920 11.116 1.00 0.00 ATOM 496 O ASP 65 9.632 -21.115 7.917 1.00 0.00 ATOM 497 C ASP 65 9.306 -19.935 8.032 1.00 0.00 ATOM 498 N SER 66 8.056 -19.522 7.848 1.00 0.00 ATOM 499 CA SER 66 6.991 -20.469 7.530 1.00 0.00 ATOM 500 CB SER 66 5.671 -19.733 7.293 1.00 0.00 ATOM 501 OG SER 66 4.625 -20.644 6.996 1.00 0.00 ATOM 502 O SER 66 7.502 -20.726 5.215 1.00 0.00 ATOM 503 C SER 66 7.284 -21.285 6.284 1.00 0.00 ATOM 504 N ILE 67 7.306 -22.601 6.430 1.00 0.00 ATOM 505 CA ILE 67 7.557 -23.479 5.277 1.00 0.00 ATOM 506 CB ILE 67 7.698 -24.935 5.749 1.00 0.00 ATOM 507 CG1 ILE 67 8.984 -25.171 6.516 1.00 0.00 ATOM 508 CG2 ILE 67 7.583 -25.887 4.537 1.00 0.00 ATOM 509 CD1 ILE 67 9.103 -26.371 7.350 1.00 0.00 ATOM 510 O ILE 67 6.734 -23.332 3.097 1.00 0.00 ATOM 511 C ILE 67 6.412 -23.384 4.279 1.00 0.00 ATOM 512 N GLU 68 5.160 -23.374 4.744 1.00 0.00 ATOM 513 CA GLU 68 4.087 -23.339 3.740 1.00 0.00 ATOM 514 CB GLU 68 2.751 -23.611 4.456 1.00 0.00 ATOM 515 CG GLU 68 1.687 -23.976 3.422 1.00 0.00 ATOM 516 CD GLU 68 1.842 -25.336 2.793 1.00 0.00 ATOM 517 OE1 GLU 68 2.724 -26.135 3.195 1.00 0.00 ATOM 518 OE2 GLU 68 1.009 -25.609 1.886 1.00 0.00 ATOM 519 O GLU 68 3.640 -22.048 1.778 1.00 0.00 ATOM 520 C GLU 68 4.050 -22.039 2.940 1.00 0.00 ATOM 521 N ALA 69 4.435 -20.928 3.567 1.00 0.00 ATOM 522 CA ALA 69 4.477 -19.653 2.839 1.00 0.00 ATOM 523 CB ALA 69 4.956 -18.541 3.789 1.00 0.00 ATOM 524 O ALA 69 5.235 -18.927 0.694 1.00 0.00 ATOM 525 C ALA 69 5.403 -19.719 1.618 1.00 0.00 ATOM 526 N SER 70 6.489 -20.763 1.312 1.00 0.00 ATOM 527 CA SER 70 7.227 -20.880 0.062 1.00 0.00 ATOM 528 CB SER 70 6.349 -20.462 -1.118 1.00 0.00 ATOM 529 OG SER 70 5.220 -21.310 -1.240 1.00 0.00 ATOM 530 O SER 70 8.516 -18.950 0.683 1.00 0.00 ATOM 531 C SER 70 8.473 -20.002 0.042 1.00 0.00 ATOM 532 N GLN 71 9.465 -20.434 -0.717 1.00 0.00 ATOM 533 CA GLN 71 10.696 -19.652 -0.818 1.00 0.00 ATOM 534 CB GLN 71 11.751 -20.414 -1.623 1.00 0.00 ATOM 535 CG GLN 71 12.312 -21.633 -0.910 1.00 0.00 ATOM 536 CD GLN 71 13.270 -22.425 -1.779 1.00 0.00 ATOM 537 OE1 GLN 71 13.447 -22.124 -2.960 1.00 0.00 ATOM 538 NE2 GLN 71 13.894 -23.442 -1.196 1.00 0.00 ATOM 539 O GLN 71 10.927 -17.302 -1.157 1.00 0.00 ATOM 540 C GLN 71 10.369 -18.333 -1.524 1.00 0.00 ATOM 541 N ALA 72 9.506 -18.374 -2.522 1.00 0.00 ATOM 542 CA ALA 72 9.133 -17.160 -3.252 1.00 0.00 ATOM 543 CB ALA 72 8.134 -17.490 -4.353 1.00 0.00 ATOM 544 O ALA 72 8.721 -15.016 -2.269 1.00 0.00 ATOM 545 C ALA 72 8.480 -16.219 -2.243 1.00 0.00 ATOM 546 N VAL 73 7.639 -16.774 -1.341 1.00 0.00 ATOM 547 CA VAL 73 6.966 -15.974 -0.322 1.00 0.00 ATOM 548 CB VAL 73 5.946 -16.821 0.459 1.00 0.00 ATOM 549 CG1 VAL 73 5.415 -16.046 1.656 1.00 0.00 ATOM 550 CG2 VAL 73 4.769 -17.193 -0.431 1.00 0.00 ATOM 551 O VAL 73 7.868 -14.240 1.067 1.00 0.00 ATOM 552 C VAL 73 7.952 -15.411 0.696 1.00 0.00 ATOM 553 N ALA 74 8.879 -16.243 1.137 1.00 0.00 ATOM 554 CA ALA 74 9.886 -15.807 2.096 1.00 0.00 ATOM 555 CB ALA 74 10.793 -16.976 2.451 1.00 0.00 ATOM 556 O ALA 74 11.077 -13.747 2.215 1.00 0.00 ATOM 557 C ALA 74 10.725 -14.689 1.523 1.00 0.00 ATOM 558 N LEU 75 11.060 -14.817 0.251 1.00 0.00 ATOM 559 CA LEU 75 11.834 -13.806 -0.444 1.00 0.00 ATOM 560 CB LEU 75 12.122 -14.247 -1.882 1.00 0.00 ATOM 561 CG LEU 75 12.920 -13.267 -2.744 1.00 0.00 ATOM 562 CD1 LEU 75 14.300 -13.029 -2.150 1.00 0.00 ATOM 563 CD2 LEU 75 13.095 -13.811 -4.154 1.00 0.00 ATOM 564 O LEU 75 11.627 -11.427 -0.201 1.00 0.00 ATOM 565 C LEU 75 11.070 -12.484 -0.483 1.00 0.00 ATOM 566 N ILE 76 9.778 -12.536 -0.829 1.00 0.00 ATOM 567 CA ILE 76 8.964 -11.325 -0.892 1.00 0.00 ATOM 568 CB ILE 76 7.553 -11.622 -1.436 1.00 0.00 ATOM 569 CG1 ILE 76 7.627 -12.037 -2.907 1.00 0.00 ATOM 570 CG2 ILE 76 6.670 -10.389 -1.328 1.00 0.00 ATOM 571 CD1 ILE 76 6.330 -12.599 -3.449 1.00 0.00 ATOM 572 O ILE 76 8.913 -9.464 0.604 1.00 0.00 ATOM 573 C ILE 76 8.789 -10.680 0.477 1.00 0.00 ATOM 574 N ALA 77 8.523 -11.488 1.498 1.00 0.00 ATOM 575 CA ALA 77 8.382 -10.972 2.853 1.00 0.00 ATOM 576 CB ALA 77 8.240 -12.118 3.845 1.00 0.00 ATOM 577 O ALA 77 9.543 -9.032 3.708 1.00 0.00 ATOM 578 C ALA 77 9.656 -10.154 3.222 1.00 0.00 ATOM 579 N ARG 78 10.793 -10.728 2.941 1.00 0.00 ATOM 580 CA ARG 78 12.042 -9.982 3.211 1.00 0.00 ATOM 581 CB ARG 78 13.234 -10.895 2.918 1.00 0.00 ATOM 582 CG ARG 78 13.387 -12.048 3.895 1.00 0.00 ATOM 583 CD ARG 78 14.541 -12.957 3.501 1.00 0.00 ATOM 584 NE ARG 78 14.699 -14.074 4.428 1.00 0.00 ATOM 585 CZ ARG 78 15.580 -15.057 4.272 1.00 0.00 ATOM 586 NH1 ARG 78 15.652 -16.032 5.167 1.00 0.00 ATOM 587 NH2 ARG 78 16.387 -15.061 3.219 1.00 0.00 ATOM 588 O ARG 78 12.716 -7.694 2.864 1.00 0.00 ATOM 589 C ARG 78 12.213 -8.707 2.376 1.00 0.00 ATOM 590 N MET 79 11.758 -8.768 1.130 1.00 0.00 ATOM 591 CA MET 79 11.851 -7.638 0.213 1.00 0.00 ATOM 592 CB MET 79 11.315 -8.023 -1.167 1.00 0.00 ATOM 593 CG MET 79 12.190 -9.016 -1.917 1.00 0.00 ATOM 594 SD MET 79 11.461 -9.544 -3.479 1.00 0.00 ATOM 595 CE MET 79 11.560 -8.030 -4.429 1.00 0.00 ATOM 596 O MET 79 11.553 -5.322 0.777 1.00 0.00 ATOM 597 C MET 79 11.044 -6.447 0.713 1.00 0.00 ATOM 598 N ASP 80 9.799 -6.729 1.134 1.00 0.00 ATOM 599 CA ASP 80 8.918 -5.657 1.593 1.00 0.00 ATOM 600 CB ASP 80 7.514 -6.199 1.868 1.00 0.00 ATOM 601 CG ASP 80 6.758 -6.531 0.597 1.00 0.00 ATOM 602 OD1 ASP 80 7.217 -6.126 -0.491 1.00 0.00 ATOM 603 OD2 ASP 80 5.705 -7.195 0.690 1.00 0.00 ATOM 604 O ASP 80 9.449 -3.831 3.088 1.00 0.00 ATOM 605 C ASP 80 9.482 -5.044 2.891 1.00 0.00 ATOM 606 N GLU 81 10.044 -5.858 3.833 1.00 0.00 ATOM 607 CA GLU 81 10.597 -5.338 5.083 1.00 0.00 ATOM 608 CB GLU 81 11.038 -6.487 5.993 1.00 0.00 ATOM 609 CG GLU 81 11.567 -6.038 7.346 1.00 0.00 ATOM 610 CD GLU 81 11.938 -7.204 8.241 1.00 0.00 ATOM 611 OE1 GLU 81 11.773 -8.363 7.806 1.00 0.00 ATOM 612 OE2 GLU 81 12.396 -6.959 9.376 1.00 0.00 ATOM 613 O GLU 81 11.929 -3.374 5.358 1.00 0.00 ATOM 614 C GLU 81 11.779 -4.440 4.764 1.00 0.00 ATOM 615 N GLU 82 12.641 -4.896 3.853 1.00 0.00 ATOM 616 CA GLU 82 13.812 -4.125 3.455 1.00 0.00 ATOM 617 CB GLU 82 14.654 -4.904 2.441 1.00 0.00 ATOM 618 CG GLU 82 15.933 -4.196 2.023 1.00 0.00 ATOM 619 CD GLU 82 16.756 -5.013 1.046 1.00 0.00 ATOM 620 OE1 GLU 82 16.332 -6.137 0.706 1.00 0.00 ATOM 621 OE2 GLU 82 17.825 -4.527 0.620 1.00 0.00 ATOM 622 O GLU 82 13.969 -1.756 3.101 1.00 0.00 ATOM 623 C GLU 82 13.383 -2.799 2.825 1.00 0.00 ATOM 624 N ARG 83 12.365 -2.785 1.965 1.00 0.00 ATOM 625 CA ARG 83 11.913 -1.554 1.332 1.00 0.00 ATOM 626 CB ARG 83 10.853 -1.855 0.269 1.00 0.00 ATOM 627 CG ARG 83 11.366 -2.672 -0.905 1.00 0.00 ATOM 628 CD ARG 83 12.361 -1.879 -1.737 1.00 0.00 ATOM 629 NE ARG 83 12.776 -2.608 -2.933 1.00 0.00 ATOM 630 CZ ARG 83 13.726 -2.196 -3.765 1.00 0.00 ATOM 631 NH1 ARG 83 14.037 -2.923 -4.830 1.00 0.00 ATOM 632 NH2 ARG 83 14.364 -1.057 -3.532 1.00 0.00 ATOM 633 O ARG 83 11.551 0.608 2.295 1.00 0.00 ATOM 634 C ARG 83 11.316 -0.603 2.358 1.00 0.00 ATOM 635 N LYS 84 10.542 -1.128 3.299 1.00 0.00 ATOM 636 CA LYS 84 9.976 -0.268 4.337 1.00 0.00 ATOM 637 CB LYS 84 9.144 -1.092 5.323 1.00 0.00 ATOM 638 CG LYS 84 7.835 -1.610 4.748 1.00 0.00 ATOM 639 CD LYS 84 7.048 -2.391 5.789 1.00 0.00 ATOM 640 CE LYS 84 5.783 -2.986 5.190 1.00 0.00 ATOM 641 NZ LYS 84 4.819 -1.932 4.771 1.00 0.00 ATOM 642 O LYS 84 11.081 1.615 5.392 1.00 0.00 ATOM 643 C LYS 84 11.118 0.419 5.099 1.00 0.00 ATOM 644 N LYS 85 12.134 -0.373 5.418 1.00 0.00 ATOM 645 CA LYS 85 13.283 0.166 6.143 1.00 0.00 ATOM 646 CB LYS 85 14.271 -0.950 6.486 1.00 0.00 ATOM 647 CG LYS 85 13.777 -1.907 7.559 1.00 0.00 ATOM 648 CD LYS 85 14.806 -2.987 7.851 1.00 0.00 ATOM 649 CE LYS 85 14.303 -3.958 8.906 1.00 0.00 ATOM 650 NZ LYS 85 15.287 -5.041 9.178 1.00 0.00 ATOM 651 O LYS 85 14.373 2.289 5.840 1.00 0.00 ATOM 652 C LYS 85 13.967 1.251 5.314 1.00 0.00 ATOM 653 N TYR 86 14.090 0.982 4.028 1.00 0.00 ATOM 654 CA TYR 86 14.717 1.930 3.117 1.00 0.00 ATOM 655 CB TYR 86 14.794 1.390 1.687 1.00 0.00 ATOM 656 CG TYR 86 15.434 2.345 0.706 1.00 0.00 ATOM 657 CD1 TYR 86 16.815 2.472 0.634 1.00 0.00 ATOM 658 CD2 TYR 86 14.655 3.118 -0.147 1.00 0.00 ATOM 659 CE1 TYR 86 17.410 3.341 -0.260 1.00 0.00 ATOM 660 CE2 TYR 86 15.232 3.995 -1.047 1.00 0.00 ATOM 661 CZ TYR 86 16.621 4.100 -1.099 1.00 0.00 ATOM 662 OH TYR 86 17.210 4.967 -1.990 1.00 0.00 ATOM 663 O TYR 86 14.544 4.308 3.282 1.00 0.00 ATOM 664 C TYR 86 13.950 3.242 3.100 1.00 0.00 ATOM 665 N VAL 87 12.602 3.203 2.963 1.00 0.00 ATOM 666 CA VAL 87 11.777 4.409 2.997 1.00 0.00 ATOM 667 CB VAL 87 10.277 4.070 2.906 1.00 0.00 ATOM 668 CG1 VAL 87 9.435 5.314 3.141 1.00 0.00 ATOM 669 CG2 VAL 87 9.939 3.513 1.531 1.00 0.00 ATOM 670 O VAL 87 12.136 6.428 4.246 1.00 0.00 ATOM 671 C VAL 87 11.969 5.223 4.284 1.00 0.00 ATOM 672 N ALA 88 11.945 4.590 5.504 1.00 0.00 ATOM 673 CA ALA 88 12.147 5.188 6.823 1.00 0.00 ATOM 674 CB ALA 88 12.088 4.120 7.904 1.00 0.00 ATOM 675 O ALA 88 13.582 7.013 7.400 1.00 0.00 ATOM 676 C ALA 88 13.498 5.877 6.915 1.00 0.00 ATOM 677 N SER 89 14.501 5.229 6.379 1.00 0.00 ATOM 678 CA SER 89 15.850 5.808 6.412 1.00 0.00 ATOM 679 CB SER 89 16.876 4.802 5.885 1.00 0.00 ATOM 680 OG SER 89 16.980 3.681 6.744 1.00 0.00 ATOM 681 O SER 89 16.433 8.097 5.967 1.00 0.00 ATOM 682 C SER 89 15.914 7.066 5.543 1.00 0.00 ATOM 683 N TYR 90 15.329 6.988 4.362 1.00 0.00 ATOM 684 CA TYR 90 15.321 8.128 3.456 1.00 0.00 ATOM 685 CB TYR 90 14.756 7.725 2.093 1.00 0.00 ATOM 686 CG TYR 90 14.712 8.856 1.089 1.00 0.00 ATOM 687 CD1 TYR 90 15.865 9.269 0.434 1.00 0.00 ATOM 688 CD2 TYR 90 13.520 9.507 0.801 1.00 0.00 ATOM 689 CE1 TYR 90 15.835 10.300 -0.486 1.00 0.00 ATOM 690 CE2 TYR 90 13.471 10.540 -0.114 1.00 0.00 ATOM 691 CZ TYR 90 14.643 10.935 -0.758 1.00 0.00 ATOM 692 OH TYR 90 14.611 11.962 -1.673 1.00 0.00 ATOM 693 O TYR 90 14.839 10.387 3.965 1.00 0.00 ATOM 694 C TYR 90 14.459 9.244 4.035 1.00 0.00 ATOM 695 N LEU 91 13.274 8.915 4.559 1.00 0.00 ATOM 696 CA LEU 91 12.421 9.944 5.135 1.00 0.00 ATOM 697 CB LEU 91 11.050 9.366 5.494 1.00 0.00 ATOM 698 CG LEU 91 10.151 8.978 4.319 1.00 0.00 ATOM 699 CD1 LEU 91 8.910 8.248 4.810 1.00 0.00 ATOM 700 CD2 LEU 91 9.703 10.213 3.553 1.00 0.00 ATOM 701 O LEU 91 13.148 11.690 6.577 1.00 0.00 ATOM 702 C LEU 91 13.072 10.489 6.392 1.00 0.00 ATOM 703 N GLY 92 13.604 9.605 7.325 1.00 0.00 ATOM 704 CA GLY 92 14.303 9.953 8.569 1.00 0.00 ATOM 705 O GLY 92 15.669 11.869 8.974 1.00 0.00 ATOM 706 C GLY 92 15.473 10.875 8.279 1.00 0.00 ATOM 707 N VAL 93 16.233 10.544 7.245 1.00 0.00 ATOM 708 CA VAL 93 17.387 11.357 6.854 1.00 0.00 ATOM 709 CB VAL 93 18.165 10.723 5.687 1.00 0.00 ATOM 710 CG1 VAL 93 19.250 11.668 5.194 1.00 0.00 ATOM 711 CG2 VAL 93 18.824 9.424 6.127 1.00 0.00 ATOM 712 O VAL 93 17.528 13.731 6.802 1.00 0.00 ATOM 713 C VAL 93 16.951 12.748 6.406 1.00 0.00 ATOM 714 N ILE 94 15.928 12.828 5.558 1.00 0.00 ATOM 715 CA ILE 94 15.398 14.100 5.105 1.00 0.00 ATOM 716 CB ILE 94 14.338 13.877 4.011 1.00 0.00 ATOM 717 CG1 ILE 94 14.950 13.146 2.815 1.00 0.00 ATOM 718 CG2 ILE 94 13.781 15.209 3.530 1.00 0.00 ATOM 719 CD1 ILE 94 16.118 13.874 2.187 1.00 0.00 ATOM 720 O ILE 94 14.818 16.145 6.218 1.00 0.00 ATOM 721 C ILE 94 14.797 14.922 6.263 1.00 0.00 ATOM 722 N MET 95 14.331 14.262 7.400 1.00 0.00 ATOM 723 CA MET 95 13.979 14.959 8.630 1.00 0.00 ATOM 724 CB MET 95 13.407 13.974 9.651 1.00 0.00 ATOM 725 CG MET 95 12.879 14.628 10.917 1.00 0.00 ATOM 726 SD MET 95 12.226 13.432 12.098 1.00 0.00 ATOM 727 CE MET 95 13.742 12.693 12.703 1.00 0.00 ATOM 728 O MET 95 14.997 16.843 9.739 1.00 0.00 ATOM 729 C MET 95 15.140 15.705 9.269 1.00 0.00 ATOM 730 N ALA 96 16.291 15.048 9.266 1.00 0.00 ATOM 731 CA ALA 96 17.517 15.595 9.819 1.00 0.00 ATOM 732 CB ALA 96 18.640 14.571 9.736 1.00 0.00 ATOM 733 O ALA 96 18.693 17.676 9.595 1.00 0.00 ATOM 734 C ALA 96 17.922 16.863 9.077 1.00 0.00 ATOM 735 N SER 97 17.434 17.078 7.902 1.00 0.00 ATOM 736 CA SER 97 17.784 18.238 7.096 1.00 0.00 ATOM 737 CB SER 97 17.774 17.898 5.604 1.00 0.00 ATOM 738 OG SER 97 16.454 17.679 5.139 1.00 0.00 ATOM 739 O SER 97 15.908 19.316 8.231 1.00 0.00 ATOM 740 C SER 97 16.790 19.409 7.343 1.00 0.00 ATOM 741 N ASP 98 16.791 20.541 6.427 1.00 0.00 ATOM 742 CA ASP 98 15.871 21.665 6.589 1.00 0.00 ATOM 743 CB ASP 98 16.514 22.959 6.083 1.00 0.00 ATOM 744 CG ASP 98 16.813 22.919 4.598 1.00 0.00 ATOM 745 OD1 ASP 98 16.542 21.877 3.966 1.00 0.00 ATOM 746 OD2 ASP 98 17.322 23.930 4.067 1.00 0.00 ATOM 747 O ASP 98 13.804 22.461 5.736 1.00 0.00 ATOM 748 C ASP 98 14.569 21.499 5.832 1.00 0.00 ATOM 749 N GLY 99 14.325 20.297 5.287 1.00 0.00 ATOM 750 CA GLY 99 13.105 20.031 4.542 1.00 0.00 ATOM 751 O GLY 99 11.940 20.432 2.483 1.00 0.00 ATOM 752 C GLY 99 12.982 20.610 3.139 1.00 0.00 ATOM 753 N ASP 100 10.045 19.502 3.939 1.00 0.00 ATOM 754 CA ASP 100 8.869 18.799 3.473 1.00 0.00 ATOM 755 CB ASP 100 8.546 17.653 4.426 1.00 0.00 ATOM 756 CG ASP 100 7.356 16.840 3.978 1.00 0.00 ATOM 757 OD1 ASP 100 6.361 17.424 3.493 1.00 0.00 ATOM 758 OD2 ASP 100 7.409 15.603 4.127 1.00 0.00 ATOM 759 O ASP 100 7.242 20.145 4.595 1.00 0.00 ATOM 760 C ASP 100 7.549 19.564 3.553 1.00 0.00 ATOM 761 N ILE 101 8.784 19.152 2.536 1.00 0.00 ATOM 762 CA ILE 101 7.509 19.865 2.531 1.00 0.00 ATOM 763 CB ILE 101 7.579 21.164 3.381 1.00 0.00 ATOM 764 CG1 ILE 101 6.196 21.815 3.481 1.00 0.00 ATOM 765 CG2 ILE 101 8.595 22.154 2.821 1.00 0.00 ATOM 766 CD1 ILE 101 6.088 22.877 4.572 1.00 0.00 ATOM 767 O ILE 101 7.934 20.452 0.243 1.00 0.00 ATOM 768 C ILE 101 7.154 20.514 1.197 1.00 0.00 ATOM 769 N ASP 102 4.884 21.219 1.399 1.00 0.00 ATOM 770 CA ASP 102 4.392 21.290 0.028 1.00 0.00 ATOM 771 CB ASP 102 4.372 22.741 -0.460 1.00 0.00 ATOM 772 CG ASP 102 3.671 22.897 -1.795 1.00 0.00 ATOM 773 OD1 ASP 102 3.096 21.901 -2.284 1.00 0.00 ATOM 774 OD2 ASP 102 3.697 24.014 -2.353 1.00 0.00 ATOM 775 O ASP 102 5.183 19.456 -1.323 1.00 0.00 ATOM 776 C ASP 102 5.411 20.582 -0.892 1.00 0.00 ATOM 777 N ASP 103 7.722 20.767 -1.895 1.00 0.00 ATOM 778 CA ASP 103 8.450 20.123 -2.982 1.00 0.00 ATOM 779 CB ASP 103 9.524 21.044 -3.565 1.00 0.00 ATOM 780 CG ASP 103 8.938 22.180 -4.378 1.00 0.00 ATOM 781 OD1 ASP 103 7.729 22.128 -4.687 1.00 0.00 ATOM 782 OD2 ASP 103 9.688 23.123 -4.710 1.00 0.00 ATOM 783 O ASP 103 9.179 17.845 -3.144 1.00 0.00 ATOM 784 C ASP 103 9.104 18.855 -2.442 1.00 0.00 ATOM 785 N ASN 104 9.529 18.899 -1.148 1.00 0.00 ATOM 786 CA ASN 104 10.194 17.758 -0.530 1.00 0.00 ATOM 787 CB ASN 104 10.779 18.150 0.828 1.00 0.00 ATOM 788 CG ASN 104 11.996 19.045 0.702 1.00 0.00 ATOM 789 ND2 ASN 104 11.886 20.266 1.212 1.00 0.00 ATOM 790 OD1 ASN 104 13.021 18.642 0.153 1.00 0.00 ATOM 791 O ASN 104 9.725 15.434 -0.622 1.00 0.00 ATOM 792 C ASN 104 9.240 16.593 -0.287 1.00 0.00 ATOM 793 N GLU 105 7.980 16.609 0.413 1.00 0.00 ATOM 794 CA GLU 105 7.117 15.415 0.657 1.00 0.00 ATOM 795 CB GLU 105 5.683 16.247 1.204 1.00 0.00 ATOM 796 CG GLU 105 4.843 16.544 -0.002 1.00 0.00 ATOM 797 CD GLU 105 3.560 17.271 0.380 1.00 0.00 ATOM 798 OE1 GLU 105 2.785 17.636 -0.524 1.00 0.00 ATOM 799 OE2 GLU 105 3.326 17.479 1.591 1.00 0.00 ATOM 800 O GLU 105 6.672 13.661 -0.892 1.00 0.00 ATOM 801 C GLU 105 6.754 14.874 -0.713 1.00 0.00 ATOM 802 N LEU 106 6.586 15.788 -1.694 1.00 0.00 ATOM 803 CA LEU 106 6.284 15.370 -3.059 1.00 0.00 ATOM 804 CB LEU 106 6.136 16.560 -4.025 1.00 0.00 ATOM 805 CG LEU 106 6.005 16.180 -5.510 1.00 0.00 ATOM 806 CD1 LEU 106 4.640 15.564 -5.776 1.00 0.00 ATOM 807 CD2 LEU 106 6.230 17.409 -6.406 1.00 0.00 ATOM 808 O LEU 106 7.153 13.427 -4.137 1.00 0.00 ATOM 809 C LEU 106 7.399 14.494 -3.596 1.00 0.00 ATOM 810 N ALA 107 8.633 14.957 -3.465 1.00 0.00 ATOM 811 CA ALA 107 9.770 14.206 -3.981 1.00 0.00 ATOM 812 CB ALA 107 11.059 14.991 -3.794 1.00 0.00 ATOM 813 O ALA 107 10.266 11.856 -3.915 1.00 0.00 ATOM 814 C ALA 107 9.958 12.862 -3.277 1.00 0.00 ATOM 815 N LEU 108 9.795 12.820 -1.948 1.00 0.00 ATOM 816 CA LEU 108 9.952 11.589 -1.184 1.00 0.00 ATOM 817 CB LEU 108 9.770 11.805 0.320 1.00 0.00 ATOM 818 CG LEU 108 11.030 12.545 0.859 1.00 0.00 ATOM 819 CD1 LEU 108 10.689 12.987 2.288 1.00 0.00 ATOM 820 CD2 LEU 108 12.210 11.631 0.863 1.00 0.00 ATOM 821 O LEU 108 9.219 9.371 -1.731 1.00 0.00 ATOM 822 C LEU 108 8.908 10.550 -1.578 1.00 0.00 ATOM 823 N TRP 109 7.673 10.985 -1.724 1.00 0.00 ATOM 824 CA TRP 109 6.600 10.082 -2.128 1.00 0.00 ATOM 825 CB TRP 109 5.234 10.786 -2.070 1.00 0.00 ATOM 826 CG TRP 109 4.088 9.871 -2.416 1.00 0.00 ATOM 827 CD1 TRP 109 3.221 10.005 -3.463 1.00 0.00 ATOM 828 CD2 TRP 109 3.697 8.672 -1.724 1.00 0.00 ATOM 829 CE2 TRP 109 2.579 8.140 -2.409 1.00 0.00 ATOM 830 CE3 TRP 109 4.185 7.994 -0.595 1.00 0.00 ATOM 831 NE1 TRP 109 2.313 8.970 -3.467 1.00 0.00 ATOM 832 CZ2 TRP 109 1.940 6.964 -2.002 1.00 0.00 ATOM 833 CZ3 TRP 109 3.549 6.828 -0.190 1.00 0.00 ATOM 834 CH2 TRP 109 2.438 6.325 -0.890 1.00 0.00 ATOM 835 O TRP 109 6.655 8.300 -3.786 1.00 0.00 ATOM 836 C TRP 109 6.898 9.497 -3.493 1.00 0.00 ATOM 837 N THR 110 7.369 10.366 -4.434 1.00 0.00 ATOM 838 CA THR 110 7.625 9.903 -5.785 1.00 0.00 ATOM 839 CB THR 110 8.031 11.069 -6.717 1.00 0.00 ATOM 840 CG2 THR 110 8.372 10.566 -8.101 1.00 0.00 ATOM 841 OG1 THR 110 6.925 11.969 -6.792 1.00 0.00 ATOM 842 O THR 110 8.618 7.840 -6.478 1.00 0.00 ATOM 843 C THR 110 8.728 8.854 -5.787 1.00 0.00 ATOM 844 N LEU 111 9.798 9.084 -5.019 1.00 0.00 ATOM 845 CA LEU 111 10.903 8.129 -4.943 1.00 0.00 ATOM 846 CB LEU 111 11.978 8.758 -4.038 1.00 0.00 ATOM 847 CG LEU 111 12.696 9.991 -4.589 1.00 0.00 ATOM 848 CD1 LEU 111 13.872 10.321 -3.645 1.00 0.00 ATOM 849 CD2 LEU 111 13.202 9.736 -6.015 1.00 0.00 ATOM 850 O LEU 111 10.851 5.724 -4.793 1.00 0.00 ATOM 851 C LEU 111 10.427 6.793 -4.348 1.00 0.00 ATOM 852 N ILE 112 9.562 6.886 -3.328 1.00 0.00 ATOM 853 CA ILE 112 8.997 5.680 -2.714 1.00 0.00 ATOM 854 CB ILE 112 8.207 6.043 -1.428 1.00 0.00 ATOM 855 CG1 ILE 112 9.182 6.486 -0.338 1.00 0.00 ATOM 856 CG2 ILE 112 7.382 4.846 -0.945 1.00 0.00 ATOM 857 CD1 ILE 112 8.507 7.150 0.849 1.00 0.00 ATOM 858 O ILE 112 8.224 3.698 -3.839 1.00 0.00 ATOM 859 C ILE 112 8.141 4.927 -3.735 1.00 0.00 ATOM 860 N SER 113 7.347 5.658 -4.511 1.00 0.00 ATOM 861 CA SER 113 6.506 5.028 -5.516 1.00 0.00 ATOM 862 CB SER 113 5.634 5.945 -6.233 1.00 0.00 ATOM 863 OG SER 113 4.647 6.489 -5.401 1.00 0.00 ATOM 864 O SER 113 7.120 3.114 -6.853 1.00 0.00 ATOM 865 C SER 113 7.384 4.275 -6.514 1.00 0.00 ATOM 866 N THR 114 8.445 4.941 -6.976 1.00 0.00 ATOM 867 CA THR 114 9.353 4.343 -7.942 1.00 0.00 ATOM 868 CB THR 114 10.444 5.445 -8.305 1.00 0.00 ATOM 869 CG2 THR 114 11.474 4.875 -9.253 1.00 0.00 ATOM 870 OG1 THR 114 9.774 6.541 -8.929 1.00 0.00 ATOM 871 O THR 114 10.308 2.102 -8.225 1.00 0.00 ATOM 872 C THR 114 10.060 3.051 -7.429 1.00 0.00 ATOM 873 N LEU 115 10.421 3.119 -6.154 1.00 0.00 ATOM 874 CA LEU 115 11.140 1.975 -5.593 1.00 0.00 ATOM 875 CB LEU 115 11.625 2.289 -4.176 1.00 0.00 ATOM 876 CG LEU 115 12.711 3.361 -4.054 1.00 0.00 ATOM 877 CD1 LEU 115 13.000 3.669 -2.593 1.00 0.00 ATOM 878 CD2 LEU 115 14.003 2.896 -4.708 1.00 0.00 ATOM 879 O LEU 115 10.836 -0.387 -5.393 1.00 0.00 ATOM 880 C LEU 115 10.284 0.717 -5.503 1.00 0.00 ATOM 881 N CYS 116 8.958 0.810 -5.564 1.00 0.00 ATOM 882 CA CYS 116 8.049 -0.326 -5.525 1.00 0.00 ATOM 883 CB CYS 116 6.796 0.016 -4.715 1.00 0.00 ATOM 884 SG CYS 116 7.109 0.371 -2.970 1.00 0.00 ATOM 885 O CYS 116 6.706 -1.566 -7.066 1.00 0.00 ATOM 886 C CYS 116 7.603 -0.736 -6.924 1.00 0.00 ATOM 887 N GLY 117 8.205 -0.181 -7.971 1.00 0.00 ATOM 888 CA GLY 117 7.845 -0.572 -9.323 1.00 0.00 ATOM 889 O GLY 117 6.383 0.090 -11.065 1.00 0.00 ATOM 890 C GLY 117 6.804 0.347 -9.941 1.00 0.00 ATOM 891 N LEU 118 6.360 1.410 -9.253 1.00 0.00 ATOM 892 CA LEU 118 5.373 2.308 -9.863 1.00 0.00 ATOM 893 CB LEU 118 4.702 3.174 -8.794 1.00 0.00 ATOM 894 CG LEU 118 3.869 2.433 -7.748 1.00 0.00 ATOM 895 CD1 LEU 118 3.365 3.394 -6.682 1.00 0.00 ATOM 896 CD2 LEU 118 2.664 1.767 -8.394 1.00 0.00 ATOM 897 O LEU 118 7.096 3.838 -10.523 1.00 0.00 ATOM 898 C LEU 118 6.075 3.214 -10.869 1.00 0.00 ATOM 899 N PRO 119 5.540 3.287 -12.167 1.00 0.00 ATOM 900 CA PRO 119 6.173 4.167 -13.140 1.00 0.00 ATOM 901 CB PRO 119 5.321 3.997 -14.401 1.00 0.00 ATOM 902 CG PRO 119 4.682 2.659 -14.241 1.00 0.00 ATOM 903 CD PRO 119 4.392 2.508 -12.774 1.00 0.00 ATOM 904 O PRO 119 5.259 6.063 -11.968 1.00 0.00 ATOM 905 C PRO 119 6.171 5.614 -12.657 1.00 0.00 ATOM 906 N THR 120 7.212 6.350 -13.033 1.00 0.00 ATOM 907 CA THR 120 7.314 7.739 -12.604 1.00 0.00 ATOM 908 CB THR 120 8.560 8.423 -13.195 1.00 0.00 ATOM 909 CG2 THR 120 8.622 9.881 -12.765 1.00 0.00 ATOM 910 OG1 THR 120 9.741 7.753 -12.734 1.00 0.00 ATOM 911 O THR 120 5.608 9.404 -12.347 1.00 0.00 ATOM 912 C THR 120 6.118 8.572 -13.084 1.00 0.00 ATOM 913 N MET 121 5.641 8.302 -14.289 1.00 0.00 ATOM 914 CA MET 121 4.476 9.060 -14.751 1.00 0.00 ATOM 915 CB MET 121 4.186 8.729 -16.216 1.00 0.00 ATOM 916 CG MET 121 5.249 9.218 -17.185 1.00 0.00 ATOM 917 SD MET 121 5.479 11.005 -17.120 1.00 0.00 ATOM 918 CE MET 121 3.920 11.572 -17.789 1.00 0.00 ATOM 919 O MET 121 2.488 9.746 -13.528 1.00 0.00 ATOM 920 C MET 121 3.252 8.822 -13.835 1.00 0.00 ATOM 921 N THR 122 3.081 7.500 -13.426 1.00 0.00 ATOM 922 CA THR 122 1.963 7.146 -12.550 1.00 0.00 ATOM 923 CB THR 122 1.723 5.631 -12.406 1.00 0.00 ATOM 924 CG2 THR 122 1.449 5.003 -13.765 1.00 0.00 ATOM 925 OG1 THR 122 2.884 5.014 -11.835 1.00 0.00 ATOM 926 O THR 122 1.241 7.942 -10.395 1.00 0.00 ATOM 927 C THR 122 2.185 7.721 -11.151 1.00 0.00 ATOM 928 N VAL 123 3.439 7.988 -10.797 1.00 0.00 ATOM 929 CA VAL 123 3.699 8.703 -9.551 1.00 0.00 ATOM 930 CB VAL 123 5.219 8.797 -9.277 1.00 0.00 ATOM 931 CG1 VAL 123 5.495 9.675 -8.047 1.00 0.00 ATOM 932 CG2 VAL 123 5.778 7.392 -9.051 1.00 0.00 ATOM 933 O VAL 123 2.388 10.548 -8.718 1.00 0.00 ATOM 934 C VAL 123 3.072 10.100 -9.640 1.00 0.00 ATOM 935 N MET 124 3.320 10.788 -10.747 1.00 0.00 ATOM 936 CA MET 124 2.769 12.124 -10.946 1.00 0.00 ATOM 937 CB MET 124 3.319 12.745 -12.227 1.00 0.00 ATOM 938 CG MET 124 4.846 12.827 -12.181 1.00 0.00 ATOM 939 SD MET 124 5.546 13.445 -13.721 1.00 0.00 ATOM 940 CE MET 124 5.072 15.175 -13.556 1.00 0.00 ATOM 941 O MET 124 0.586 12.940 -10.368 1.00 0.00 ATOM 942 C MET 124 1.244 12.085 -10.963 1.00 0.00 ATOM 943 N GLU 125 0.668 11.085 -11.637 1.00 0.00 ATOM 944 CA GLU 125 -0.795 10.969 -11.706 1.00 0.00 ATOM 945 CB GLU 125 -1.192 9.934 -12.759 1.00 0.00 ATOM 946 CG GLU 125 -2.698 9.847 -13.055 1.00 0.00 ATOM 947 CD GLU 125 -3.019 8.677 -13.966 1.00 0.00 ATOM 948 OE1 GLU 125 -2.805 7.522 -13.547 1.00 0.00 ATOM 949 OE2 GLU 125 -3.484 8.857 -15.113 1.00 0.00 ATOM 950 O GLU 125 -2.338 11.309 -9.896 1.00 0.00 ATOM 951 C GLU 125 -1.374 10.676 -10.334 1.00 0.00 ATOM 952 N ALA 126 -0.821 9.755 -9.592 1.00 0.00 ATOM 953 CA ALA 126 -1.306 9.401 -8.268 1.00 0.00 ATOM 954 CB ALA 126 -0.547 8.183 -7.758 1.00 0.00 ATOM 955 O ALA 126 -2.035 10.894 -6.542 1.00 0.00 ATOM 956 C ALA 126 -1.144 10.593 -7.357 1.00 0.00 ATOM 957 N ILE 127 -0.012 11.296 -7.426 1.00 0.00 ATOM 958 CA ILE 127 0.244 12.465 -6.599 1.00 0.00 ATOM 959 CB ILE 127 1.658 13.046 -6.892 1.00 0.00 ATOM 960 CG1 ILE 127 2.731 12.097 -6.342 1.00 0.00 ATOM 961 CG2 ILE 127 1.803 14.476 -6.309 1.00 0.00 ATOM 962 CD1 ILE 127 4.135 12.496 -6.741 1.00 0.00 ATOM 963 O ILE 127 -1.392 14.082 -5.920 1.00 0.00 ATOM 964 C ILE 127 -0.804 13.542 -6.850 1.00 0.00 ATOM 965 N ASN 128 -1.072 13.860 -8.109 1.00 0.00 ATOM 966 CA ASN 128 -2.044 14.896 -8.426 1.00 0.00 ATOM 967 CB ASN 128 -2.251 15.020 -9.941 1.00 0.00 ATOM 968 CG ASN 128 -1.130 15.758 -10.655 1.00 0.00 ATOM 969 ND2 ASN 128 -1.068 15.565 -11.982 1.00 0.00 ATOM 970 OD1 ASN 128 -0.368 16.506 -10.061 1.00 0.00 ATOM 971 O ASN 128 -4.048 15.464 -7.255 1.00 0.00 ATOM 972 C ASN 128 -3.415 14.595 -7.839 1.00 0.00 ATOM 973 N ASN 129 -3.901 13.338 -8.093 1.00 0.00 ATOM 974 CA ASN 129 -5.234 12.972 -7.612 1.00 0.00 ATOM 975 CB ASN 129 -5.618 11.585 -8.109 1.00 0.00 ATOM 976 CG ASN 129 -5.930 11.568 -9.594 1.00 0.00 ATOM 977 ND2 ASN 129 -6.284 10.404 -10.101 1.00 0.00 ATOM 978 OD1 ASN 129 -5.863 12.598 -10.272 1.00 0.00 ATOM 979 O ASN 129 -6.267 13.392 -5.481 1.00 0.00 ATOM 980 C ASN 129 -5.283 12.975 -6.087 1.00 0.00 ATOM 981 N MET 130 -4.185 12.577 -5.436 1.00 0.00 ATOM 982 CA MET 130 -4.118 12.582 -3.985 1.00 0.00 ATOM 983 CB MET 130 -2.829 11.893 -3.521 1.00 0.00 ATOM 984 CG MET 130 -2.767 10.421 -3.839 1.00 0.00 ATOM 985 SD MET 130 -1.139 9.726 -3.559 1.00 0.00 ATOM 986 CE MET 130 -1.563 8.033 -3.112 1.00 0.00 ATOM 987 O MET 130 -4.877 14.275 -2.463 1.00 0.00 ATOM 988 C MET 130 -4.170 14.002 -3.438 1.00 0.00 ATOM 989 N LYS 131 -3.418 14.910 -4.050 1.00 0.00 ATOM 990 CA LYS 131 -3.467 16.308 -3.656 1.00 0.00 ATOM 991 CB LYS 131 -2.440 17.123 -4.442 1.00 0.00 ATOM 992 CG LYS 131 -2.421 18.603 -4.090 1.00 0.00 ATOM 993 CD LYS 131 -1.355 19.343 -4.881 1.00 0.00 ATOM 994 CE LYS 131 -1.347 20.826 -4.541 1.00 0.00 ATOM 995 NZ LYS 131 -0.329 21.571 -5.332 1.00 0.00 ATOM 996 O LYS 131 -5.408 17.574 -3.031 1.00 0.00 ATOM 997 C LYS 131 -4.836 16.933 -3.908 1.00 0.00 ATOM 998 N ASN 132 -5.301 16.719 -5.086 1.00 0.00 ATOM 999 CA ASN 132 -6.597 17.266 -5.470 1.00 0.00 ATOM 1000 CB ASN 132 -6.890 16.955 -6.939 1.00 0.00 ATOM 1001 CG ASN 132 -6.100 17.833 -7.888 1.00 0.00 ATOM 1002 ND2 ASN 132 -5.968 17.388 -9.131 1.00 0.00 ATOM 1003 OD1 ASN 132 -5.616 18.899 -7.506 1.00 0.00 ATOM 1004 O ASN 132 -8.585 17.382 -4.134 1.00 0.00 ATOM 1005 C ASN 132 -7.723 16.655 -4.631 1.00 0.00 ATOM 1006 N LEU 133 -7.709 15.362 -4.450 1.00 0.00 ATOM 1007 CA LEU 133 -8.726 14.670 -3.666 1.00 0.00 ATOM 1008 CB LEU 133 -9.002 13.267 -4.211 1.00 0.00 ATOM 1009 CG LEU 133 -9.423 13.182 -5.680 1.00 0.00 ATOM 1010 CD1 LEU 133 -9.602 11.732 -6.104 1.00 0.00 ATOM 1011 CD2 LEU 133 -10.740 13.910 -5.905 1.00 0.00 ATOM 1012 O LEU 133 -9.142 13.761 -1.496 1.00 0.00 ATOM 1013 C LEU 133 -8.395 14.513 -2.183 1.00 0.00 TER END