PFRMAT TS TARGET T0283 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 New this year, we are also occasionally using ProteinShop to METHOD manipulate proteins by hand, to produce starting points for undertaker METHOD optimization. We expect this to be most useful in new-fold all-alpha METHOD proteins, where undertaker often gets trapped in poor local minima by METHOD extending helices too far. METHOD METHOD METHOD Model 1 is try29-opt2, the result of many rounds of alternating METHOD optimization and hand-tweaking with ProteinShop. METHOD METHOD Model 2 is try18-opt2, a somewhat earlier stage of the process, with a METHOD different conformation around D77. METHOD METHOD Model 3 is try4-opt2, the initial undertaker-generated model from METHOD which all the hand-tweaking was started. METHOD METHOD Model 4 is Rosetta's favorite repacking of our backbones---this METHOD backbone was generated by a fully-automatic run, with no handtweaking METHOD of the cost function or the model. (first_try-opt2.repack-nonPC) METHOD METHOD Model 5 is try14-opt2, which was generated by optimizing the server models. METHOD It comes from ROBETTA_TS5, but scores better with our cost functions. REMARK 6 REMARK 6 T0283 model 4 Tue Jun 20 22:31:41 2006 MODEL 4 PARENT N/A ATOM 1 N MET 1 15.269 -14.188 8.415 1.00 0.00 ATOM 2 CA MET 1 15.092 -15.452 9.121 1.00 0.00 ATOM 3 CB MET 1 16.212 -16.424 8.753 1.00 0.00 ATOM 4 CG MET 1 16.202 -16.875 7.298 1.00 0.00 ATOM 5 SD MET 1 17.589 -17.956 6.897 1.00 0.00 ATOM 6 CE MET 1 17.068 -19.480 7.679 1.00 0.00 ATOM 7 O MET 1 14.196 -15.780 11.322 1.00 0.00 ATOM 8 C MET 1 15.053 -15.233 10.630 1.00 0.00 ATOM 9 N SER 2 15.896 -14.359 11.183 1.00 0.00 ATOM 10 CA SER 2 15.831 -14.074 12.610 1.00 0.00 ATOM 11 CB SER 2 16.992 -13.170 13.030 1.00 0.00 ATOM 12 OG SER 2 16.880 -11.888 12.436 1.00 0.00 ATOM 13 O SER 2 13.977 -13.580 14.039 1.00 0.00 ATOM 14 C SER 2 14.524 -13.372 12.959 1.00 0.00 ATOM 15 N PHE 3 14.024 -12.538 12.038 1.00 0.00 ATOM 16 CA PHE 3 12.783 -11.827 12.254 1.00 0.00 ATOM 17 CB PHE 3 12.554 -10.802 11.142 1.00 0.00 ATOM 18 CG PHE 3 13.537 -9.667 11.152 1.00 0.00 ATOM 19 CD1 PHE 3 14.610 -9.652 10.274 1.00 0.00 ATOM 20 CD2 PHE 3 13.392 -8.611 12.040 1.00 0.00 ATOM 21 CE1 PHE 3 15.516 -8.608 10.282 1.00 0.00 ATOM 22 CE2 PHE 3 14.294 -7.566 12.051 1.00 0.00 ATOM 23 CZ PHE 3 15.357 -7.565 11.171 1.00 0.00 ATOM 24 O PHE 3 10.719 -12.608 13.173 1.00 0.00 ATOM 25 C PHE 3 11.603 -12.784 12.332 1.00 0.00 ATOM 26 N ILE 4 11.579 -13.782 11.456 1.00 0.00 ATOM 27 CA ILE 4 10.506 -14.772 11.485 1.00 0.00 ATOM 28 CB ILE 4 10.667 -15.814 10.362 1.00 0.00 ATOM 29 CG1 ILE 4 10.457 -15.160 8.993 1.00 0.00 ATOM 30 CG2 ILE 4 9.652 -16.934 10.523 1.00 0.00 ATOM 31 CD1 ILE 4 10.859 -16.037 7.830 1.00 0.00 ATOM 32 O ILE 4 9.477 -15.637 13.467 1.00 0.00 ATOM 33 C ILE 4 10.515 -15.517 12.819 1.00 0.00 ATOM 34 N GLU 5 11.696 -15.984 13.235 1.00 0.00 ATOM 35 CA GLU 5 11.867 -16.666 14.525 1.00 0.00 ATOM 36 CB GLU 5 13.327 -17.081 14.722 1.00 0.00 ATOM 37 CG GLU 5 13.781 -18.225 13.826 1.00 0.00 ATOM 38 CD GLU 5 15.249 -18.502 13.995 1.00 0.00 ATOM 39 OE1 GLU 5 15.890 -17.780 14.721 1.00 0.00 ATOM 40 OE2 GLU 5 15.708 -19.499 13.489 1.00 0.00 ATOM 41 O GLU 5 10.816 -16.223 16.636 1.00 0.00 ATOM 42 C GLU 5 11.408 -15.762 15.660 1.00 0.00 ATOM 43 N LYS 6 11.733 -14.471 15.551 1.00 0.00 ATOM 44 CA LYS 6 11.342 -13.515 16.575 1.00 0.00 ATOM 45 CB LYS 6 11.936 -12.138 16.276 1.00 0.00 ATOM 46 CG LYS 6 11.606 -11.072 17.313 1.00 0.00 ATOM 47 CD LYS 6 12.319 -9.764 17.008 1.00 0.00 ATOM 48 CE LYS 6 11.865 -8.653 17.944 1.00 0.00 ATOM 49 NZ LYS 6 12.234 -8.931 19.358 1.00 0.00 ATOM 50 O LYS 6 9.204 -13.441 17.755 1.00 0.00 ATOM 51 C LYS 6 9.793 -13.444 16.660 1.00 0.00 ATOM 52 N MET 7 9.141 -13.370 15.482 1.00 0.00 ATOM 53 CA MET 7 7.686 -13.288 15.456 1.00 0.00 ATOM 54 CB MET 7 7.196 -13.039 14.030 1.00 0.00 ATOM 55 CG MET 7 5.688 -12.874 13.902 1.00 0.00 ATOM 56 SD MET 7 5.071 -11.421 14.775 1.00 0.00 ATOM 57 CE MET 7 5.621 -10.112 13.683 1.00 0.00 ATOM 58 O MET 7 6.258 -14.571 16.919 1.00 0.00 ATOM 59 C MET 7 7.101 -14.585 16.030 1.00 0.00 ATOM 60 N ILE 8 7.563 -15.695 15.508 1.00 0.00 ATOM 61 CA ILE 8 7.049 -17.006 15.966 1.00 0.00 ATOM 62 CB ILE 8 7.607 -18.161 15.113 1.00 0.00 ATOM 63 CG1 ILE 8 9.102 -18.349 15.381 1.00 0.00 ATOM 64 CG2 ILE 8 7.356 -17.899 13.636 1.00 0.00 ATOM 65 CD1 ILE 8 9.734 -19.454 14.565 1.00 0.00 ATOM 66 O ILE 8 6.640 -17.676 18.227 1.00 0.00 ATOM 67 C ILE 8 7.439 -17.178 17.439 1.00 0.00 ATOM 68 N GLY 9 8.632 -16.725 17.798 1.00 0.00 ATOM 69 CA GLY 9 9.073 -16.834 19.181 1.00 0.00 ATOM 70 O GLY 9 7.915 -16.529 21.270 1.00 0.00 ATOM 71 C GLY 9 8.167 -16.071 20.152 1.00 0.00 ATOM 72 N SER 10 7.689 -14.906 19.722 1.00 0.00 ATOM 73 CA SER 10 6.818 -14.075 20.550 1.00 0.00 ATOM 74 CB SER 10 6.847 -12.639 20.062 1.00 0.00 ATOM 75 OG SER 10 6.277 -12.505 18.788 1.00 0.00 ATOM 76 O SER 10 4.602 -14.183 21.443 1.00 0.00 ATOM 77 C SER 10 5.382 -14.574 20.577 1.00 0.00 ATOM 78 N LEU 11 5.022 -15.416 19.615 1.00 0.00 ATOM 79 CA LEU 11 3.660 -15.924 19.538 1.00 0.00 ATOM 80 CB LEU 11 3.428 -16.631 18.202 1.00 0.00 ATOM 81 CG LEU 11 3.484 -15.752 16.951 1.00 0.00 ATOM 82 CD1 LEU 11 3.366 -16.599 15.692 1.00 0.00 ATOM 83 CD2 LEU 11 2.349 -14.742 16.951 1.00 0.00 ATOM 84 O LEU 11 4.181 -17.789 20.950 1.00 0.00 ATOM 85 C LEU 11 3.376 -16.895 20.675 1.00 0.00 ATOM 86 N ASN 12 2.265 -16.671 21.373 1.00 0.00 ATOM 87 CA ASN 12 1.884 -17.522 22.497 1.00 0.00 ATOM 88 CB ASN 12 1.248 -16.714 23.613 1.00 0.00 ATOM 89 CG ASN 12 2.208 -15.800 24.323 1.00 0.00 ATOM 90 ND2 ASN 12 1.669 -14.767 24.918 1.00 0.00 ATOM 91 OD1 ASN 12 3.414 -16.067 24.392 1.00 0.00 ATOM 92 O ASN 12 0.632 -19.525 22.899 1.00 0.00 ATOM 93 C ASN 12 0.940 -18.652 22.089 1.00 0.00 ATOM 94 N ASP 13 0.474 -18.630 20.843 1.00 0.00 ATOM 95 CA ASP 13 -0.408 -19.679 20.341 1.00 0.00 ATOM 96 CB ASP 13 -1.443 -19.095 19.376 1.00 0.00 ATOM 97 CG ASP 13 -2.439 -20.110 18.831 1.00 0.00 ATOM 98 OD1 ASP 13 -2.281 -21.274 19.108 1.00 0.00 ATOM 99 OD2 ASP 13 -3.432 -19.699 18.279 1.00 0.00 ATOM 100 O ASP 13 1.163 -20.406 18.665 1.00 0.00 ATOM 101 C ASP 13 0.535 -20.685 19.692 1.00 0.00 ATOM 102 N LYS 14 0.641 -21.849 20.322 1.00 0.00 ATOM 103 CA LYS 14 1.523 -22.916 19.864 1.00 0.00 ATOM 104 CB LYS 14 1.352 -24.161 20.738 1.00 0.00 ATOM 105 CG LYS 14 1.933 -24.023 22.135 1.00 0.00 ATOM 106 CD LYS 14 1.753 -25.301 22.937 1.00 0.00 ATOM 107 CE LYS 14 2.328 -25.162 24.336 1.00 0.00 ATOM 108 NZ LYS 14 2.113 -26.390 25.151 1.00 0.00 ATOM 109 O LYS 14 2.210 -23.744 17.731 1.00 0.00 ATOM 110 C LYS 14 1.270 -23.400 18.444 1.00 0.00 ATOM 111 N ARG 15 -0.012 -23.461 18.070 1.00 0.00 ATOM 112 CA ARG 15 -0.381 -23.911 16.729 1.00 0.00 ATOM 113 CB ARG 15 -1.883 -24.101 16.580 1.00 0.00 ATOM 114 CG ARG 15 -2.330 -24.635 15.228 1.00 0.00 ATOM 115 CD ARG 15 -3.802 -24.763 15.076 1.00 0.00 ATOM 116 NE ARG 15 -4.522 -23.500 15.100 1.00 0.00 ATOM 117 CZ ARG 15 -4.599 -22.643 14.063 1.00 0.00 ATOM 118 NH1 ARG 15 -3.973 -22.888 12.933 1.00 0.00 ATOM 119 NH2 ARG 15 -5.302 -21.535 14.220 1.00 0.00 ATOM 120 O ARG 15 0.748 -23.379 14.684 1.00 0.00 ATOM 121 C ARG 15 0.188 -22.948 15.693 1.00 0.00 ATOM 122 N GLU 16 0.034 -21.650 15.922 1.00 0.00 ATOM 123 CA GLU 16 0.545 -20.672 14.960 1.00 0.00 ATOM 124 CB GLU 16 0.144 -19.254 15.375 1.00 0.00 ATOM 125 CG GLU 16 -1.339 -18.949 15.219 1.00 0.00 ATOM 126 CD GLU 16 -1.788 -19.129 13.797 1.00 0.00 ATOM 127 OE1 GLU 16 -1.175 -18.563 12.924 1.00 0.00 ATOM 128 OE2 GLU 16 -2.672 -19.921 13.569 1.00 0.00 ATOM 129 O GLU 16 2.622 -20.683 13.748 1.00 0.00 ATOM 130 C GLU 16 2.063 -20.790 14.843 1.00 0.00 ATOM 131 N TRP 17 2.739 -21.026 15.966 1.00 0.00 ATOM 132 CA TRP 17 4.192 -21.174 15.959 1.00 0.00 ATOM 133 CB TRP 17 4.718 -21.337 17.387 1.00 0.00 ATOM 134 CG TRP 17 6.209 -21.481 17.462 1.00 0.00 ATOM 135 CD1 TRP 17 7.125 -20.473 17.500 1.00 0.00 ATOM 136 CD2 TRP 17 6.954 -22.704 17.509 1.00 0.00 ATOM 137 CE2 TRP 17 8.316 -22.360 17.574 1.00 0.00 ATOM 138 CE3 TRP 17 6.599 -24.059 17.501 1.00 0.00 ATOM 139 NE1 TRP 17 8.395 -20.990 17.567 1.00 0.00 ATOM 140 CZ2 TRP 17 9.321 -23.312 17.631 1.00 0.00 ATOM 141 CZ3 TRP 17 7.608 -25.013 17.558 1.00 0.00 ATOM 142 CH2 TRP 17 8.929 -24.651 17.622 1.00 0.00 ATOM 143 O TRP 17 5.516 -22.255 14.272 1.00 0.00 ATOM 144 C TRP 17 4.615 -22.359 15.106 1.00 0.00 ATOM 145 N LYS 18 3.981 -23.517 15.342 1.00 0.00 ATOM 146 CA LYS 18 4.304 -24.729 14.609 1.00 0.00 ATOM 147 CB LYS 18 3.580 -25.932 15.218 1.00 0.00 ATOM 148 CG LYS 18 4.102 -26.355 16.585 1.00 0.00 ATOM 149 CD LYS 18 3.333 -27.551 17.124 1.00 0.00 ATOM 150 CE LYS 18 3.846 -27.966 18.496 1.00 0.00 ATOM 151 NZ LYS 18 3.083 -29.118 19.050 1.00 0.00 ATOM 152 O LYS 18 4.650 -25.162 12.271 1.00 0.00 ATOM 153 C LYS 18 3.952 -24.615 13.125 1.00 0.00 ATOM 154 N ALA 19 2.868 -23.892 12.801 1.00 0.00 ATOM 155 CA ALA 19 2.479 -23.700 11.405 1.00 0.00 ATOM 156 CB ALA 19 1.175 -22.921 11.336 1.00 0.00 ATOM 157 O ALA 19 3.932 -23.158 9.564 1.00 0.00 ATOM 158 C ALA 19 3.573 -22.894 10.714 1.00 0.00 ATOM 159 N MET 20 4.099 -21.923 11.433 1.00 0.00 ATOM 160 CA MET 20 5.164 -21.076 10.913 1.00 0.00 ATOM 161 CB MET 20 5.484 -19.960 11.907 1.00 0.00 ATOM 162 CG MET 20 4.398 -18.902 12.037 1.00 0.00 ATOM 163 SD MET 20 4.280 -17.845 10.580 1.00 0.00 ATOM 164 CE MET 20 5.820 -16.939 10.693 1.00 0.00 ATOM 165 O MET 20 7.013 -21.796 9.574 1.00 0.00 ATOM 166 C MET 20 6.389 -21.932 10.630 1.00 0.00 ATOM 167 N GLU 21 6.752 -22.809 11.550 1.00 0.00 ATOM 168 CA GLU 21 7.905 -23.675 11.367 1.00 0.00 ATOM 169 CB GLU 21 8.104 -24.569 12.592 1.00 0.00 ATOM 170 CG GLU 21 9.329 -25.466 12.513 1.00 0.00 ATOM 171 CD GLU 21 9.525 -26.295 13.768 1.00 0.00 ATOM 172 OE1 GLU 21 8.714 -26.154 14.707 1.00 0.00 ATOM 173 OE2 GLU 21 10.490 -27.086 13.812 1.00 0.00 ATOM 174 O GLU 21 8.685 -24.751 9.371 1.00 0.00 ATOM 175 C GLU 21 7.741 -24.571 10.144 1.00 0.00 ATOM 176 N ALA 22 6.554 -25.148 9.974 1.00 0.00 ATOM 177 CA ALA 22 6.320 -26.014 8.825 1.00 0.00 ATOM 178 CB ALA 22 4.931 -26.630 8.901 1.00 0.00 ATOM 179 O ALA 22 6.953 -25.690 6.530 1.00 0.00 ATOM 180 C ALA 22 6.386 -25.221 7.520 1.00 0.00 ATOM 181 N ARG 23 5.765 -24.044 7.509 1.00 0.00 ATOM 182 CA ARG 23 5.758 -23.199 6.314 1.00 0.00 ATOM 183 CB ARG 23 4.880 -21.968 6.486 1.00 0.00 ATOM 184 CG ARG 23 3.386 -22.249 6.521 1.00 0.00 ATOM 185 CD ARG 23 2.542 -21.044 6.736 1.00 0.00 ATOM 186 NE ARG 23 1.116 -21.315 6.816 1.00 0.00 ATOM 187 CZ ARG 23 0.174 -20.385 7.065 1.00 0.00 ATOM 188 NH1 ARG 23 0.502 -19.133 7.296 1.00 0.00 ATOM 189 NH2 ARG 23 -1.091 -20.769 7.094 1.00 0.00 ATOM 190 O ARG 23 7.626 -22.997 4.817 1.00 0.00 ATOM 191 C ARG 23 7.214 -22.860 5.957 1.00 0.00 ATOM 192 N ALA 24 7.974 -22.415 6.962 1.00 0.00 ATOM 193 CA ALA 24 9.378 -22.086 6.689 1.00 0.00 ATOM 194 CB ALA 24 10.005 -21.377 7.891 1.00 0.00 ATOM 195 O ALA 24 10.953 -23.293 5.367 1.00 0.00 ATOM 196 C ALA 24 10.143 -23.360 6.275 1.00 0.00 ATOM 197 N LYS 25 9.881 -24.623 6.852 1.00 0.00 ATOM 198 CA LYS 25 10.525 -25.873 6.428 1.00 0.00 ATOM 199 CB LYS 25 10.120 -27.024 7.351 1.00 0.00 ATOM 200 CG LYS 25 10.779 -28.357 7.018 1.00 0.00 ATOM 201 CD LYS 25 10.391 -29.430 8.025 1.00 0.00 ATOM 202 CE LYS 25 11.024 -30.770 7.676 1.00 0.00 ATOM 203 NZ LYS 25 10.637 -31.835 8.641 1.00 0.00 ATOM 204 O LYS 25 11.011 -26.570 4.198 1.00 0.00 ATOM 205 C LYS 25 10.144 -26.163 4.982 1.00 0.00 ATOM 206 N ALA 26 8.901 -25.971 4.590 1.00 0.00 ATOM 207 CA ALA 26 8.523 -26.181 3.190 1.00 0.00 ATOM 208 CB ALA 26 7.017 -26.157 2.983 1.00 0.00 ATOM 209 O ALA 26 9.149 -25.318 1.050 1.00 0.00 ATOM 210 C ALA 26 9.166 -25.159 2.268 1.00 0.00 ATOM 211 N LEU 27 9.727 -24.109 2.854 1.00 0.00 ATOM 212 CA LEU 27 10.356 -23.049 2.066 1.00 0.00 ATOM 213 CB LEU 27 10.442 -21.757 2.889 1.00 0.00 ATOM 214 CG LEU 27 10.243 -20.461 2.093 1.00 0.00 ATOM 215 CD1 LEU 27 9.623 -19.392 2.981 1.00 0.00 ATOM 216 CD2 LEU 27 11.581 -19.994 1.539 1.00 0.00 ATOM 217 O LEU 27 12.633 -23.762 2.320 1.00 0.00 ATOM 218 C LEU 27 11.755 -23.373 1.539 1.00 0.00 ATOM 219 N PRO 28 12.011 -23.300 0.190 1.00 0.00 ATOM 220 CA PRO 28 13.350 -23.595 -0.328 1.00 0.00 ATOM 221 CB PRO 28 13.253 -23.250 -1.831 1.00 0.00 ATOM 222 CG PRO 28 11.806 -23.548 -2.098 1.00 0.00 ATOM 223 CD PRO 28 11.027 -23.056 -0.863 1.00 0.00 ATOM 224 O PRO 28 14.240 -21.469 0.328 1.00 0.00 ATOM 225 C PRO 28 14.423 -22.686 0.283 1.00 0.00 ATOM 226 N LYS 29 15.543 -23.308 0.752 1.00 0.00 ATOM 227 CA LYS 29 16.528 -22.563 1.537 1.00 0.00 ATOM 228 CB LYS 29 17.633 -23.496 2.035 1.00 0.00 ATOM 229 CG LYS 29 17.190 -24.477 3.112 1.00 0.00 ATOM 230 CD LYS 29 18.339 -25.372 3.552 1.00 0.00 ATOM 231 CE LYS 29 17.895 -26.360 4.621 1.00 0.00 ATOM 232 NZ LYS 29 19.002 -27.263 5.039 1.00 0.00 ATOM 233 O LYS 29 17.464 -20.408 1.272 1.00 0.00 ATOM 234 C LYS 29 17.121 -21.427 0.711 1.00 0.00 ATOM 235 N GLU 30 17.263 -21.600 -0.603 1.00 0.00 ATOM 236 CA GLU 30 17.888 -20.562 -1.439 1.00 0.00 ATOM 237 CB GLU 30 17.971 -21.026 -2.895 1.00 0.00 ATOM 238 CG GLU 30 18.656 -20.039 -3.831 1.00 0.00 ATOM 239 CD GLU 30 18.746 -20.583 -5.229 1.00 0.00 ATOM 240 OE1 GLU 30 18.307 -21.687 -5.445 1.00 0.00 ATOM 241 OE2 GLU 30 19.149 -19.854 -6.104 1.00 0.00 ATOM 242 O GLU 30 17.657 -18.177 -1.187 1.00 0.00 ATOM 243 C GLU 30 17.089 -19.264 -1.322 1.00 0.00 ATOM 244 N TYR 31 15.767 -19.376 -1.368 1.00 0.00 ATOM 245 CA TYR 31 14.928 -18.191 -1.298 1.00 0.00 ATOM 246 CB TYR 31 13.484 -18.534 -1.672 1.00 0.00 ATOM 247 CG TYR 31 13.303 -18.927 -3.121 1.00 0.00 ATOM 248 CD1 TYR 31 14.309 -18.709 -4.051 1.00 0.00 ATOM 249 CD2 TYR 31 12.126 -19.518 -3.556 1.00 0.00 ATOM 250 CE1 TYR 31 14.150 -19.066 -5.375 1.00 0.00 ATOM 251 CE2 TYR 31 11.954 -19.879 -4.878 1.00 0.00 ATOM 252 CZ TYR 31 12.969 -19.651 -5.785 1.00 0.00 ATOM 253 OH TYR 31 12.804 -20.011 -7.103 1.00 0.00 ATOM 254 O TYR 31 14.525 -16.317 0.149 1.00 0.00 ATOM 255 C TYR 31 14.907 -17.488 0.060 1.00 0.00 ATOM 256 N HIS 32 15.316 -18.175 1.118 1.00 0.00 ATOM 257 CA HIS 32 15.336 -17.545 2.437 1.00 0.00 ATOM 258 CB HIS 32 15.858 -18.546 3.494 1.00 0.00 ATOM 259 CG HIS 32 14.814 -19.509 3.982 1.00 0.00 ATOM 260 CD2 HIS 32 13.632 -19.257 4.618 1.00 0.00 ATOM 261 ND1 HIS 32 14.906 -20.867 3.812 1.00 0.00 ATOM 262 CE1 HIS 32 13.824 -21.432 4.334 1.00 0.00 ATOM 263 NE2 HIS 32 13.017 -20.475 4.822 1.00 0.00 ATOM 264 O HIS 32 15.890 -15.266 2.993 1.00 0.00 ATOM 265 C HIS 32 16.231 -16.313 2.433 1.00 0.00 ATOM 266 N HIS 33 17.409 -16.404 1.812 1.00 0.00 ATOM 267 CA HIS 33 18.312 -15.263 1.713 1.00 0.00 ATOM 268 CB HIS 33 19.647 -15.683 1.089 1.00 0.00 ATOM 269 CG HIS 33 20.630 -14.561 0.959 1.00 0.00 ATOM 270 CD2 HIS 33 21.082 -13.891 -0.127 1.00 0.00 ATOM 271 ND1 HIS 33 21.269 -14.003 2.047 1.00 0.00 ATOM 272 CE1 HIS 33 22.073 -13.039 1.633 1.00 0.00 ATOM 273 NE2 HIS 33 21.978 -12.952 0.320 1.00 0.00 ATOM 274 O HIS 33 17.794 -12.951 1.280 1.00 0.00 ATOM 275 C HIS 33 17.677 -14.133 0.893 1.00 0.00 ATOM 276 N ALA 34 16.995 -14.456 -0.208 1.00 0.00 ATOM 277 CA ALA 34 16.421 -13.437 -1.081 1.00 0.00 ATOM 278 CB ALA 34 15.731 -14.088 -2.270 1.00 0.00 ATOM 279 O ALA 34 15.225 -11.428 -0.650 1.00 0.00 ATOM 280 C ALA 34 15.383 -12.594 -0.322 1.00 0.00 ATOM 281 N TYR 35 14.672 -13.204 0.627 1.00 0.00 ATOM 282 CA TYR 35 13.562 -12.470 1.250 1.00 0.00 ATOM 283 CB TYR 35 12.388 -13.411 1.529 1.00 0.00 ATOM 284 CG TYR 35 11.950 -14.217 0.326 1.00 0.00 ATOM 285 CD1 TYR 35 12.331 -13.849 -0.956 1.00 0.00 ATOM 286 CD2 TYR 35 11.157 -15.345 0.477 1.00 0.00 ATOM 287 CE1 TYR 35 11.932 -14.582 -2.057 1.00 0.00 ATOM 288 CE2 TYR 35 10.752 -16.085 -0.616 1.00 0.00 ATOM 289 CZ TYR 35 11.143 -15.700 -1.883 1.00 0.00 ATOM 290 OH TYR 35 10.744 -16.434 -2.976 1.00 0.00 ATOM 291 O TYR 35 13.019 -11.160 3.178 1.00 0.00 ATOM 292 C TYR 35 13.896 -11.751 2.551 1.00 0.00 ATOM 293 N LYS 36 15.143 -11.780 3.008 1.00 0.00 ATOM 294 CA LYS 36 15.538 -11.135 4.256 1.00 0.00 ATOM 295 CB LYS 36 17.018 -11.389 4.544 1.00 0.00 ATOM 296 CG LYS 36 17.347 -12.826 4.928 1.00 0.00 ATOM 297 CD LYS 36 18.834 -13.000 5.199 1.00 0.00 ATOM 298 CE LYS 36 19.166 -14.440 5.566 1.00 0.00 ATOM 299 NZ LYS 36 20.622 -14.631 5.802 1.00 0.00 ATOM 300 O LYS 36 14.921 -9.074 5.313 1.00 0.00 ATOM 301 C LYS 36 15.286 -9.632 4.276 1.00 0.00 ATOM 302 N ALA 37 15.474 -8.972 3.138 1.00 0.00 ATOM 303 CA ALA 37 15.257 -7.531 3.075 1.00 0.00 ATOM 304 CB ALA 37 15.588 -7.006 1.687 1.00 0.00 ATOM 305 O ALA 37 13.529 -6.173 4.038 1.00 0.00 ATOM 306 C ALA 37 13.802 -7.178 3.383 1.00 0.00 ATOM 307 N ILE 38 12.892 -8.002 2.901 1.00 0.00 ATOM 308 CA ILE 38 11.472 -7.755 3.149 1.00 0.00 ATOM 309 CB ILE 38 10.608 -8.698 2.271 1.00 0.00 ATOM 310 CG1 ILE 38 10.898 -8.414 0.794 1.00 0.00 ATOM 311 CG2 ILE 38 9.120 -8.493 2.555 1.00 0.00 ATOM 312 CD1 ILE 38 10.241 -9.373 -0.156 1.00 0.00 ATOM 313 O ILE 38 10.457 -7.103 5.222 1.00 0.00 ATOM 314 C ILE 38 11.226 -7.888 4.649 1.00 0.00 ATOM 315 N GLN 39 11.887 -8.850 5.296 1.00 0.00 ATOM 316 CA GLN 39 11.688 -9.001 6.735 1.00 0.00 ATOM 317 CB GLN 39 12.438 -10.230 7.254 1.00 0.00 ATOM 318 CG GLN 39 11.749 -11.551 6.958 1.00 0.00 ATOM 319 CD GLN 39 12.651 -12.744 7.209 1.00 0.00 ATOM 320 OE1 GLN 39 12.940 -13.092 8.358 1.00 0.00 ATOM 321 NE2 GLN 39 13.107 -13.376 6.133 1.00 0.00 ATOM 322 O GLN 39 11.524 -7.271 8.367 1.00 0.00 ATOM 323 C GLN 39 12.164 -7.741 7.438 1.00 0.00 ATOM 324 N LYS 40 13.300 -7.189 6.995 1.00 0.00 ATOM 325 CA LYS 40 13.825 -5.967 7.619 1.00 0.00 ATOM 326 CB LYS 40 15.200 -5.622 7.043 1.00 0.00 ATOM 327 CG LYS 40 16.303 -6.586 7.448 1.00 0.00 ATOM 328 CD LYS 40 17.639 -6.182 6.847 1.00 0.00 ATOM 329 CE LYS 40 18.734 -7.164 7.224 1.00 0.00 ATOM 330 NZ LYS 40 20.045 -6.794 6.622 1.00 0.00 ATOM 331 O LYS 40 12.634 -3.982 8.291 1.00 0.00 ATOM 332 C LYS 40 12.885 -4.786 7.374 1.00 0.00 ATOM 333 N TYR 41 12.327 -4.696 6.166 1.00 0.00 ATOM 334 CA TYR 41 11.420 -3.605 5.841 1.00 0.00 ATOM 335 CB TYR 41 11.055 -3.638 4.355 1.00 0.00 ATOM 336 CG TYR 41 12.242 -3.493 3.428 1.00 0.00 ATOM 337 CD1 TYR 41 13.464 -3.039 3.902 1.00 0.00 ATOM 338 CD2 TYR 41 12.137 -3.813 2.083 1.00 0.00 ATOM 339 CE1 TYR 41 14.552 -2.905 3.061 1.00 0.00 ATOM 340 CE2 TYR 41 13.218 -3.683 1.233 1.00 0.00 ATOM 341 CZ TYR 41 14.424 -3.229 1.725 1.00 0.00 ATOM 342 OH TYR 41 15.504 -3.099 0.882 1.00 0.00 ATOM 343 O TYR 41 9.778 -2.736 7.344 1.00 0.00 ATOM 344 C TYR 41 10.183 -3.730 6.726 1.00 0.00 ATOM 345 N MET 42 9.620 -4.939 6.842 1.00 0.00 ATOM 346 CA MET 42 8.410 -5.135 7.662 1.00 0.00 ATOM 347 CB MET 42 7.936 -6.584 7.565 1.00 0.00 ATOM 348 CG MET 42 6.703 -6.901 8.400 1.00 0.00 ATOM 349 SD MET 42 7.102 -7.256 10.122 1.00 0.00 ATOM 350 CE MET 42 7.870 -8.866 9.966 1.00 0.00 ATOM 351 O MET 42 7.865 -4.074 9.765 1.00 0.00 ATOM 352 C MET 42 8.678 -4.752 9.135 1.00 0.00 ATOM 353 N TRP 43 9.818 -5.151 9.689 1.00 0.00 ATOM 354 CA TRP 43 10.190 -4.735 11.048 1.00 0.00 ATOM 355 CB TRP 43 11.469 -5.447 11.492 1.00 0.00 ATOM 356 CG TRP 43 11.922 -5.060 12.867 1.00 0.00 ATOM 357 CD1 TRP 43 13.004 -4.293 13.183 1.00 0.00 ATOM 358 CD2 TRP 43 11.308 -5.421 14.110 1.00 0.00 ATOM 359 CE2 TRP 43 12.071 -4.836 15.138 1.00 0.00 ATOM 360 CE3 TRP 43 10.184 -6.182 14.453 1.00 0.00 ATOM 361 NE1 TRP 43 13.103 -4.154 14.545 1.00 0.00 ATOM 362 CZ2 TRP 43 11.753 -4.987 16.477 1.00 0.00 ATOM 363 CZ3 TRP 43 9.864 -6.333 15.798 1.00 0.00 ATOM 364 CH2 TRP 43 10.626 -5.752 16.780 1.00 0.00 ATOM 365 O TRP 43 9.989 -2.629 12.208 1.00 0.00 ATOM 366 C TRP 43 10.395 -3.223 11.204 1.00 0.00 ATOM 367 N THR 44 10.999 -2.567 10.277 1.00 0.00 ATOM 368 CA THR 44 11.242 -1.135 10.351 1.00 0.00 ATOM 369 CB THR 44 12.559 -0.682 9.662 1.00 0.00 ATOM 370 CG2 THR 44 13.760 -1.454 10.167 1.00 0.00 ATOM 371 OG1 THR 44 12.480 -0.946 8.255 1.00 0.00 ATOM 372 O THR 44 10.147 0.929 9.828 1.00 0.00 ATOM 373 C THR 44 10.133 -0.297 9.734 1.00 0.00 ATOM 374 N SER 45 9.170 -0.964 9.111 1.00 0.00 ATOM 375 CA SER 45 8.060 -0.281 8.459 1.00 0.00 ATOM 376 CB SER 45 7.165 -1.283 7.728 1.00 0.00 ATOM 377 OG SER 45 6.056 -0.637 7.130 1.00 0.00 ATOM 378 O SER 45 6.837 1.647 9.206 1.00 0.00 ATOM 379 C SER 45 7.153 0.476 9.431 1.00 0.00 ATOM 380 N GLY 46 6.724 -0.175 10.525 1.00 0.00 ATOM 381 CA GLY 46 5.848 0.480 11.503 1.00 0.00 ATOM 382 O GLY 46 5.665 2.707 12.363 1.00 0.00 ATOM 383 C GLY 46 6.417 1.771 12.047 1.00 0.00 ATOM 384 N GLY 47 7.716 1.908 12.165 1.00 0.00 ATOM 385 CA GLY 47 8.337 3.132 12.659 1.00 0.00 ATOM 386 O GLY 47 8.086 5.066 11.261 1.00 0.00 ATOM 387 C GLY 47 8.628 3.968 11.430 1.00 0.00 ATOM 388 N PRO 48 9.438 3.538 10.554 1.00 0.00 ATOM 389 CA PRO 48 9.856 4.227 9.328 1.00 0.00 ATOM 390 CB PRO 48 11.272 4.460 9.441 1.00 0.00 ATOM 391 CG PRO 48 11.785 3.402 10.382 1.00 0.00 ATOM 392 CD PRO 48 10.637 3.039 11.311 1.00 0.00 ATOM 393 O PRO 48 9.707 3.614 7.011 1.00 0.00 ATOM 394 C PRO 48 9.106 3.989 8.020 1.00 0.00 ATOM 395 N THR 49 7.795 4.205 8.034 1.00 0.00 ATOM 396 CA THR 49 6.982 3.993 6.842 1.00 0.00 ATOM 397 CB THR 49 5.486 3.886 7.191 1.00 0.00 ATOM 398 CG2 THR 49 4.672 3.546 5.952 1.00 0.00 ATOM 399 OG1 THR 49 5.294 2.864 8.179 1.00 0.00 ATOM 400 O THR 49 6.188 5.763 5.413 1.00 0.00 ATOM 401 C THR 49 7.154 5.103 5.807 1.00 0.00 ATOM 402 N ASP 50 8.396 5.301 5.371 1.00 0.00 ATOM 403 CA ASP 50 8.720 6.319 4.378 1.00 0.00 ATOM 404 CB ASP 50 10.202 6.688 4.465 1.00 0.00 ATOM 405 CG ASP 50 10.528 7.495 5.705 1.00 0.00 ATOM 406 OD1 ASP 50 9.584 7.949 6.386 1.00 0.00 ATOM 407 OD2 ASP 50 11.730 7.677 5.997 1.00 0.00 ATOM 408 O ASP 50 8.234 4.577 2.792 1.00 0.00 ATOM 409 C ASP 50 8.431 5.789 2.958 1.00 0.00 ATOM 410 N TRP 51 8.251 6.717 2.027 1.00 0.00 ATOM 411 CA TRP 51 7.908 6.250 0.672 1.00 0.00 ATOM 412 CB TRP 51 7.663 7.440 -0.257 1.00 0.00 ATOM 413 CG TRP 51 8.901 8.232 -0.553 1.00 0.00 ATOM 414 CD1 TRP 51 9.363 9.312 0.138 1.00 0.00 ATOM 415 CD2 TRP 51 9.833 8.007 -1.617 1.00 0.00 ATOM 416 CE2 TRP 51 10.835 8.988 -1.508 1.00 0.00 ATOM 417 CE3 TRP 51 9.917 7.068 -2.652 1.00 0.00 ATOM 418 NE1 TRP 51 10.525 9.775 -0.428 1.00 0.00 ATOM 419 CZ2 TRP 51 11.903 9.062 -2.389 1.00 0.00 ATOM 420 CZ3 TRP 51 10.989 7.141 -3.536 1.00 0.00 ATOM 421 CH2 TRP 51 11.953 8.109 -3.406 1.00 0.00 ATOM 422 O TRP 51 8.769 4.439 -0.639 1.00 0.00 ATOM 423 C TRP 51 9.025 5.361 0.128 1.00 0.00 ATOM 424 N GLN 52 10.262 5.629 0.541 1.00 0.00 ATOM 425 CA GLN 52 11.395 4.838 0.067 1.00 0.00 ATOM 426 CB GLN 52 12.710 5.429 0.581 1.00 0.00 ATOM 427 CG GLN 52 13.065 6.775 -0.031 1.00 0.00 ATOM 428 CD GLN 52 14.313 7.381 0.581 1.00 0.00 ATOM 429 OE1 GLN 52 14.868 6.846 1.540 1.00 0.00 ATOM 430 NE2 GLN 52 14.758 8.503 0.026 1.00 0.00 ATOM 431 O GLN 52 11.474 2.479 -0.283 1.00 0.00 ATOM 432 C GLN 52 11.291 3.392 0.518 1.00 0.00 ATOM 433 N ASP 53 10.998 3.187 1.797 1.00 0.00 ATOM 434 CA ASP 53 10.875 1.834 2.323 1.00 0.00 ATOM 435 CB ASP 53 10.699 1.863 3.844 1.00 0.00 ATOM 436 CG ASP 53 11.958 2.231 4.615 1.00 0.00 ATOM 437 OD1 ASP 53 13.014 2.234 4.026 1.00 0.00 ATOM 438 OD2 ASP 53 11.839 2.654 5.740 1.00 0.00 ATOM 439 O ASP 53 9.842 -0.069 1.286 1.00 0.00 ATOM 440 C ASP 53 9.708 1.093 1.674 1.00 0.00 ATOM 441 N THR 54 8.570 1.773 1.544 1.00 0.00 ATOM 442 CA THR 54 7.381 1.176 0.935 1.00 0.00 ATOM 443 CB THR 54 6.168 2.121 1.018 1.00 0.00 ATOM 444 CG2 THR 54 4.961 1.500 0.333 1.00 0.00 ATOM 445 OG1 THR 54 5.853 2.379 2.393 1.00 0.00 ATOM 446 O THR 54 7.221 -0.245 -1.002 1.00 0.00 ATOM 447 C THR 54 7.639 0.815 -0.532 1.00 0.00 ATOM 448 N LYS 55 8.331 1.694 -1.242 1.00 0.00 ATOM 449 CA LYS 55 8.647 1.440 -2.640 1.00 0.00 ATOM 450 CB LYS 55 9.240 2.691 -3.292 1.00 0.00 ATOM 451 CG LYS 55 9.550 2.540 -4.775 1.00 0.00 ATOM 452 CD LYS 55 10.052 3.848 -5.370 1.00 0.00 ATOM 453 CE LYS 55 10.383 3.693 -6.848 1.00 0.00 ATOM 454 NZ LYS 55 10.889 4.961 -7.440 1.00 0.00 ATOM 455 O LYS 55 9.505 -0.570 -3.632 1.00 0.00 ATOM 456 C LYS 55 9.612 0.260 -2.729 1.00 0.00 ATOM 457 N ARG 56 10.559 0.186 -1.796 1.00 0.00 ATOM 458 CA ARG 56 11.518 -0.912 -1.808 1.00 0.00 ATOM 459 CB ARG 56 12.621 -0.722 -0.778 1.00 0.00 ATOM 460 CG ARG 56 13.614 0.383 -1.099 1.00 0.00 ATOM 461 CD ARG 56 14.644 0.605 -0.053 1.00 0.00 ATOM 462 NE ARG 56 15.581 1.677 -0.347 1.00 0.00 ATOM 463 CZ ARG 56 16.548 2.099 0.491 1.00 0.00 ATOM 464 NH1 ARG 56 16.686 1.571 1.687 1.00 0.00 ATOM 465 NH2 ARG 56 17.341 3.076 0.088 1.00 0.00 ATOM 466 O ARG 56 11.102 -3.227 -2.287 1.00 0.00 ATOM 467 C ARG 56 10.776 -2.239 -1.634 1.00 0.00 ATOM 468 N ILE 57 9.773 -2.262 -0.761 1.00 0.00 ATOM 469 CA ILE 57 8.993 -3.479 -0.554 1.00 0.00 ATOM 470 CB ILE 57 7.910 -3.233 0.540 1.00 0.00 ATOM 471 CG1 ILE 57 8.577 -3.147 1.917 1.00 0.00 ATOM 472 CG2 ILE 57 6.842 -4.316 0.518 1.00 0.00 ATOM 473 CD1 ILE 57 7.629 -2.683 3.021 1.00 0.00 ATOM 474 O ILE 57 8.359 -5.106 -2.202 1.00 0.00 ATOM 475 C ILE 57 8.330 -3.930 -1.856 1.00 0.00 ATOM 476 N PHE 58 7.739 -2.984 -2.559 1.00 0.00 ATOM 477 CA PHE 58 7.074 -3.254 -3.831 1.00 0.00 ATOM 478 CB PHE 58 6.411 -1.984 -4.366 1.00 0.00 ATOM 479 CG PHE 58 5.224 -1.534 -3.563 1.00 0.00 ATOM 480 CD1 PHE 58 4.620 -2.391 -2.654 1.00 0.00 ATOM 481 CD2 PHE 58 4.709 -0.256 -3.714 1.00 0.00 ATOM 482 CE1 PHE 58 3.528 -1.978 -1.914 1.00 0.00 ATOM 483 CE2 PHE 58 3.618 0.159 -2.976 1.00 0.00 ATOM 484 CZ PHE 58 3.027 -0.704 -2.074 1.00 0.00 ATOM 485 O PHE 58 7.697 -4.672 -5.658 1.00 0.00 ATOM 486 C PHE 58 8.053 -3.807 -4.859 1.00 0.00 ATOM 487 N GLY 59 9.307 -3.309 -4.836 1.00 0.00 ATOM 488 CA GLY 59 10.326 -3.760 -5.766 1.00 0.00 ATOM 489 O GLY 59 10.852 -5.954 -6.557 1.00 0.00 ATOM 490 C GLY 59 10.671 -5.243 -5.582 1.00 0.00 ATOM 491 N GLY 60 10.844 -5.675 -4.333 1.00 0.00 ATOM 492 CA GLY 60 11.150 -7.052 -4.054 1.00 0.00 ATOM 493 O GLY 60 10.360 -9.042 -5.154 1.00 0.00 ATOM 494 C GLY 60 10.031 -7.997 -4.538 1.00 0.00 ATOM 495 N ILE 61 8.822 -7.660 -4.275 1.00 0.00 ATOM 496 CA ILE 61 7.652 -8.497 -4.676 1.00 0.00 ATOM 497 CB ILE 61 6.342 -7.971 -4.061 1.00 0.00 ATOM 498 CG1 ILE 61 6.397 -8.060 -2.534 1.00 0.00 ATOM 499 CG2 ILE 61 5.152 -8.748 -4.601 1.00 0.00 ATOM 500 CD1 ILE 61 6.564 -9.467 -2.009 1.00 0.00 ATOM 501 O ILE 61 7.392 -9.536 -6.829 1.00 0.00 ATOM 502 C ILE 61 7.586 -8.491 -6.204 1.00 0.00 ATOM 503 N LEU 62 7.773 -7.312 -6.793 1.00 0.00 ATOM 504 CA LEU 62 7.739 -7.196 -8.251 1.00 0.00 ATOM 505 CB LEU 62 7.839 -5.724 -8.667 1.00 0.00 ATOM 506 CG LEU 62 7.783 -5.469 -10.180 1.00 0.00 ATOM 507 CD1 LEU 62 6.456 -5.960 -10.743 1.00 0.00 ATOM 508 CD2 LEU 62 7.967 -3.982 -10.452 1.00 0.00 ATOM 509 O LEU 62 8.633 -8.665 -9.930 1.00 0.00 ATOM 510 C LEU 62 8.861 -8.008 -8.914 1.00 0.00 ATOM 511 N ASP 63 10.044 -8.014 -8.316 1.00 0.00 ATOM 512 CA ASP 63 11.160 -8.819 -8.811 1.00 0.00 ATOM 513 CB ASP 63 12.436 -8.508 -8.024 1.00 0.00 ATOM 514 CG ASP 63 13.056 -7.154 -8.341 1.00 0.00 ATOM 515 OD1 ASP 63 12.661 -6.554 -9.312 1.00 0.00 ATOM 516 OD2 ASP 63 13.802 -6.660 -7.530 1.00 0.00 ATOM 517 O ASP 63 11.194 -11.078 -9.574 1.00 0.00 ATOM 518 C ASP 63 10.812 -10.297 -8.715 1.00 0.00 ATOM 519 N LEU 64 10.132 -10.707 -7.650 1.00 0.00 ATOM 520 CA LEU 64 9.749 -12.110 -7.479 1.00 0.00 ATOM 521 CB LEU 64 9.011 -12.300 -6.147 1.00 0.00 ATOM 522 CG LEU 64 9.878 -12.810 -4.989 1.00 0.00 ATOM 523 CD1 LEU 64 11.263 -12.183 -5.056 1.00 0.00 ATOM 524 CD2 LEU 64 9.201 -12.483 -3.666 1.00 0.00 ATOM 525 O LEU 64 9.126 -13.599 -9.258 1.00 0.00 ATOM 526 C LEU 64 8.884 -12.548 -8.657 1.00 0.00 ATOM 527 N PHE 65 7.912 -11.719 -8.983 1.00 0.00 ATOM 528 CA PHE 65 6.984 -11.997 -10.103 1.00 0.00 ATOM 529 CB PHE 65 5.906 -10.914 -10.185 1.00 0.00 ATOM 530 CG PHE 65 4.931 -11.115 -11.309 1.00 0.00 ATOM 531 CD1 PHE 65 3.902 -12.035 -11.197 1.00 0.00 ATOM 532 CD2 PHE 65 5.040 -10.383 -12.480 1.00 0.00 ATOM 533 CE1 PHE 65 3.005 -12.221 -12.231 1.00 0.00 ATOM 534 CE2 PHE 65 4.142 -10.569 -13.513 1.00 0.00 ATOM 535 CZ PHE 65 3.128 -11.482 -13.393 1.00 0.00 ATOM 536 O PHE 65 7.481 -12.925 -12.251 1.00 0.00 ATOM 537 C PHE 65 7.710 -12.029 -11.434 1.00 0.00 ATOM 538 N GLU 66 8.560 -11.022 -11.668 1.00 0.00 ATOM 539 CA GLU 66 9.211 -10.888 -12.950 1.00 0.00 ATOM 540 CB GLU 66 9.977 -9.565 -13.026 1.00 0.00 ATOM 541 CG GLU 66 9.090 -8.329 -13.101 1.00 0.00 ATOM 542 CD GLU 66 9.905 -7.068 -13.036 1.00 0.00 ATOM 543 OE1 GLU 66 11.097 -7.161 -12.865 1.00 0.00 ATOM 544 OE2 GLU 66 9.356 -6.017 -13.270 1.00 0.00 ATOM 545 O GLU 66 10.129 -12.702 -14.222 1.00 0.00 ATOM 546 C GLU 66 10.138 -12.077 -13.160 1.00 0.00 ATOM 547 N GLU 67 10.902 -12.359 -12.161 1.00 0.00 ATOM 548 CA GLU 67 11.823 -13.487 -12.251 1.00 0.00 ATOM 549 CB GLU 67 12.772 -13.500 -11.050 1.00 0.00 ATOM 550 CG GLU 67 13.799 -12.377 -11.048 1.00 0.00 ATOM 551 CD GLU 67 14.614 -12.385 -9.786 1.00 0.00 ATOM 552 OE1 GLU 67 14.337 -13.187 -8.926 1.00 0.00 ATOM 553 OE2 GLU 67 15.586 -11.667 -9.724 1.00 0.00 ATOM 554 O GLU 67 11.566 -15.707 -13.079 1.00 0.00 ATOM 555 C GLU 67 11.120 -14.834 -12.340 1.00 0.00 ATOM 556 N GLY 68 10.017 -14.989 -11.590 1.00 0.00 ATOM 557 CA GLY 68 9.218 -16.208 -11.657 1.00 0.00 ATOM 558 O GLY 68 8.714 -17.510 -13.612 1.00 0.00 ATOM 559 C GLY 68 8.686 -16.405 -13.068 1.00 0.00 ATOM 560 N ALA 69 8.197 -15.310 -13.667 1.00 0.00 ATOM 561 CA ALA 69 7.676 -15.337 -15.028 1.00 0.00 ATOM 562 CB ALA 69 7.224 -13.950 -15.457 1.00 0.00 ATOM 563 O ALA 69 8.548 -16.638 -16.861 1.00 0.00 ATOM 564 C ALA 69 8.788 -15.771 -16.003 1.00 0.00 ATOM 565 N ALA 70 9.977 -15.188 -15.879 1.00 0.00 ATOM 566 CA ALA 70 11.087 -15.571 -16.763 1.00 0.00 ATOM 567 CB ALA 70 12.317 -14.745 -16.421 1.00 0.00 ATOM 568 O ALA 70 11.786 -17.729 -17.568 1.00 0.00 ATOM 569 C ALA 70 11.425 -17.059 -16.599 1.00 0.00 ATOM 570 N GLU 71 11.281 -17.589 -15.344 1.00 0.00 ATOM 571 CA GLU 71 11.561 -18.995 -15.030 1.00 0.00 ATOM 572 CB GLU 71 11.751 -19.180 -13.523 1.00 0.00 ATOM 573 CG GLU 71 12.995 -18.509 -12.958 1.00 0.00 ATOM 574 CD GLU 71 13.057 -18.642 -11.463 1.00 0.00 ATOM 575 OE1 GLU 71 13.026 -19.749 -10.981 1.00 0.00 ATOM 576 OE2 GLU 71 13.247 -17.646 -10.805 1.00 0.00 ATOM 577 O GLU 71 10.593 -21.168 -15.483 1.00 0.00 ATOM 578 C GLU 71 10.450 -19.942 -15.527 1.00 0.00 ATOM 579 N GLY 72 9.336 -19.363 -15.986 1.00 0.00 ATOM 580 CA GLY 72 8.236 -20.176 -16.481 1.00 0.00 ATOM 581 O GLY 72 6.647 -21.685 -15.540 1.00 0.00 ATOM 582 C GLY 72 7.343 -20.668 -15.355 1.00 0.00 ATOM 583 N LYS 73 7.391 -20.072 -14.183 1.00 0.00 ATOM 584 CA LYS 73 6.419 -20.404 -13.129 1.00 0.00 ATOM 585 CB LYS 73 6.850 -19.796 -11.793 1.00 0.00 ATOM 586 CG LYS 73 8.125 -20.393 -11.212 1.00 0.00 ATOM 587 CD LYS 73 8.495 -19.732 -9.893 1.00 0.00 ATOM 588 CE LYS 73 9.734 -20.370 -9.281 1.00 0.00 ATOM 589 NZ LYS 73 10.111 -19.728 -7.992 1.00 0.00 ATOM 590 O LYS 73 4.951 -19.002 -14.396 1.00 0.00 ATOM 591 C LYS 73 5.040 -19.896 -13.557 1.00 0.00 ATOM 592 N LYS 74 3.988 -20.464 -12.974 1.00 0.00 ATOM 593 CA LYS 74 2.622 -20.141 -13.372 1.00 0.00 ATOM 594 CB LYS 74 1.692 -21.316 -13.061 1.00 0.00 ATOM 595 CG LYS 74 1.979 -22.567 -13.876 1.00 0.00 ATOM 596 CD LYS 74 1.021 -23.692 -13.518 1.00 0.00 ATOM 597 CE LYS 74 1.293 -24.934 -14.349 1.00 0.00 ATOM 598 NZ LYS 74 0.371 -26.050 -13.998 1.00 0.00 ATOM 599 O LYS 74 2.761 -18.562 -11.612 1.00 0.00 ATOM 600 C LYS 74 2.178 -18.911 -12.630 1.00 0.00 ATOM 601 N VAL 75 1.169 -18.209 -13.138 1.00 0.00 ATOM 602 CA VAL 75 0.622 -17.070 -12.396 1.00 0.00 ATOM 603 CB VAL 75 -0.559 -16.423 -13.143 1.00 0.00 ATOM 604 CG1 VAL 75 -1.237 -15.380 -12.267 1.00 0.00 ATOM 605 CG2 VAL 75 -0.087 -15.797 -14.446 1.00 0.00 ATOM 606 O VAL 75 0.411 -16.694 -10.045 1.00 0.00 ATOM 607 C VAL 75 0.163 -17.444 -11.029 1.00 0.00 ATOM 608 N THR 76 -0.495 -18.605 -10.843 1.00 0.00 ATOM 609 CA THR 76 -0.993 -18.999 -9.533 1.00 0.00 ATOM 610 CB THR 76 -1.925 -20.221 -9.628 1.00 0.00 ATOM 611 CG2 THR 76 -3.137 -19.902 -10.491 1.00 0.00 ATOM 612 OG1 THR 76 -1.213 -21.326 -10.198 1.00 0.00 ATOM 613 O THR 76 0.057 -18.989 -7.400 1.00 0.00 ATOM 614 C THR 76 0.130 -19.321 -8.576 1.00 0.00 ATOM 615 N ASP 77 1.167 -19.970 -9.084 1.00 0.00 ATOM 616 CA ASP 77 2.360 -20.252 -8.271 1.00 0.00 ATOM 617 CB ASP 77 3.431 -20.946 -9.115 1.00 0.00 ATOM 618 CG ASP 77 3.073 -22.382 -9.445 1.00 0.00 ATOM 619 OD1 ASP 77 2.124 -22.914 -8.831 1.00 0.00 ATOM 620 OD2 ASP 77 3.741 -22.976 -10.318 1.00 0.00 ATOM 621 O ASP 77 3.337 -18.902 -6.549 1.00 0.00 ATOM 622 C ASP 77 2.984 -18.973 -7.721 1.00 0.00 ATOM 623 N LEU 78 3.112 -17.978 -8.576 1.00 0.00 ATOM 624 CA LEU 78 3.704 -16.708 -8.178 1.00 0.00 ATOM 625 CB LEU 78 3.888 -15.803 -9.403 1.00 0.00 ATOM 626 CG LEU 78 4.826 -16.351 -10.485 1.00 0.00 ATOM 627 CD1 LEU 78 4.938 -15.357 -11.632 1.00 0.00 ATOM 628 CD2 LEU 78 6.194 -16.631 -9.879 1.00 0.00 ATOM 629 O LEU 78 3.392 -15.483 -6.135 1.00 0.00 ATOM 630 C LEU 78 2.862 -15.994 -7.122 1.00 0.00 ATOM 631 N THR 79 1.548 -16.004 -7.307 1.00 0.00 ATOM 632 CA THR 79 0.658 -15.351 -6.359 1.00 0.00 ATOM 633 CB THR 79 -0.802 -15.373 -6.847 1.00 0.00 ATOM 634 CG2 THR 79 -0.933 -14.635 -8.171 1.00 0.00 ATOM 635 OG1 THR 79 -1.232 -16.730 -7.016 1.00 0.00 ATOM 636 O THR 79 0.836 -15.343 -3.971 1.00 0.00 ATOM 637 C THR 79 0.745 -16.019 -4.993 1.00 0.00 ATOM 638 N GLY 80 0.721 -17.348 -4.971 1.00 0.00 ATOM 639 CA GLY 80 0.800 -18.060 -3.702 1.00 0.00 ATOM 640 O GLY 80 2.156 -17.655 -1.768 1.00 0.00 ATOM 641 C GLY 80 2.125 -17.794 -2.990 1.00 0.00 ATOM 642 N GLU 81 3.214 -17.716 -3.753 1.00 0.00 ATOM 643 CA GLU 81 4.518 -17.440 -3.162 1.00 0.00 ATOM 644 CB GLU 81 5.614 -17.504 -4.229 1.00 0.00 ATOM 645 CG GLU 81 6.026 -18.916 -4.623 1.00 0.00 ATOM 646 CD GLU 81 7.005 -18.900 -5.763 1.00 0.00 ATOM 647 OE1 GLU 81 7.285 -17.840 -6.267 1.00 0.00 ATOM 648 OE2 GLU 81 7.559 -19.934 -6.057 1.00 0.00 ATOM 649 O GLU 81 4.966 -15.934 -1.342 1.00 0.00 ATOM 650 C GLU 81 4.496 -16.074 -2.487 1.00 0.00 ATOM 651 N ASP 82 3.937 -15.076 -3.202 1.00 0.00 ATOM 652 CA ASP 82 3.852 -13.735 -2.587 1.00 0.00 ATOM 653 CB ASP 82 3.313 -12.736 -3.612 1.00 0.00 ATOM 654 CG ASP 82 4.313 -12.428 -4.707 1.00 0.00 ATOM 655 OD1 ASP 82 5.499 -12.788 -4.549 1.00 0.00 ATOM 656 OD2 ASP 82 3.913 -11.827 -5.726 1.00 0.00 ATOM 657 O ASP 82 3.245 -12.975 -0.397 1.00 0.00 ATOM 658 C ASP 82 2.943 -13.683 -1.358 1.00 0.00 ATOM 659 N VAL 83 1.833 -14.420 -1.378 1.00 0.00 ATOM 660 CA VAL 83 0.937 -14.441 -0.220 1.00 0.00 ATOM 661 CB VAL 83 -0.306 -15.312 -0.483 1.00 0.00 ATOM 662 CG1 VAL 83 -1.184 -15.376 0.758 1.00 0.00 ATOM 663 CG2 VAL 83 -1.096 -14.772 -1.665 1.00 0.00 ATOM 664 O VAL 83 1.563 -14.450 2.105 1.00 0.00 ATOM 665 C VAL 83 1.707 -14.967 0.996 1.00 0.00 ATOM 666 N ALA 84 2.538 -15.981 0.775 1.00 0.00 ATOM 667 CA ALA 84 3.338 -16.574 1.843 1.00 0.00 ATOM 668 CB ALA 84 4.085 -17.794 1.328 1.00 0.00 ATOM 669 O ALA 84 4.571 -15.484 3.564 1.00 0.00 ATOM 670 C ALA 84 4.359 -15.587 2.350 1.00 0.00 ATOM 671 N ALA 85 5.025 -14.888 1.419 1.00 0.00 ATOM 672 CA ALA 85 6.014 -13.856 1.822 1.00 0.00 ATOM 673 CB ALA 85 6.638 -13.256 0.572 1.00 0.00 ATOM 674 O ALA 85 5.901 -12.279 3.633 1.00 0.00 ATOM 675 C ALA 85 5.356 -12.740 2.632 1.00 0.00 ATOM 676 N PHE 86 4.161 -12.341 2.218 1.00 0.00 ATOM 677 CA PHE 86 3.441 -11.299 2.930 1.00 0.00 ATOM 678 CB PHE 86 2.119 -11.023 2.407 1.00 0.00 ATOM 679 CG PHE 86 2.216 -10.226 1.140 1.00 0.00 ATOM 680 CD1 PHE 86 2.914 -9.058 1.063 1.00 0.00 ATOM 681 CD2 PHE 86 1.576 -10.658 0.009 1.00 0.00 ATOM 682 CE1 PHE 86 2.970 -8.343 -0.118 1.00 0.00 ATOM 683 CE2 PHE 86 1.640 -9.961 -1.189 1.00 0.00 ATOM 684 CZ PHE 86 2.365 -8.810 -1.260 1.00 0.00 ATOM 685 O PHE 86 3.274 -11.128 5.315 1.00 0.00 ATOM 686 C PHE 86 3.019 -11.791 4.316 1.00 0.00 ATOM 687 N CYS 87 2.487 -13.007 4.385 1.00 0.00 ATOM 688 CA CYS 87 2.023 -13.559 5.656 1.00 0.00 ATOM 689 CB CYS 87 1.262 -14.910 5.332 1.00 0.00 ATOM 690 SG CYS 87 -0.425 -14.739 4.752 1.00 0.00 ATOM 691 O CYS 87 2.917 -13.618 7.888 1.00 0.00 ATOM 692 C CYS 87 3.113 -13.834 6.688 1.00 0.00 ATOM 693 N ASP 88 4.265 -14.295 6.223 1.00 0.00 ATOM 694 CA ASP 88 5.360 -14.653 7.118 1.00 0.00 ATOM 695 CB ASP 88 6.085 -15.899 6.607 1.00 0.00 ATOM 696 CG ASP 88 5.227 -17.158 6.577 1.00 0.00 ATOM 697 OD1 ASP 88 4.590 -17.443 7.563 1.00 0.00 ATOM 698 OD2 ASP 88 5.092 -17.735 5.524 1.00 0.00 ATOM 699 O ASP 88 7.161 -13.671 8.351 1.00 0.00 ATOM 700 C ASP 88 6.425 -13.593 7.366 1.00 0.00 ATOM 701 N GLU 89 6.472 -12.504 6.494 1.00 0.00 ATOM 702 CA GLU 89 7.527 -11.520 6.666 1.00 0.00 ATOM 703 CB GLU 89 8.710 -11.837 5.750 1.00 0.00 ATOM 704 CG GLU 89 9.284 -13.236 5.926 1.00 0.00 ATOM 705 CD GLU 89 10.173 -13.611 4.773 1.00 0.00 ATOM 706 OE1 GLU 89 11.098 -12.885 4.500 1.00 0.00 ATOM 707 OE2 GLU 89 9.996 -14.679 4.235 1.00 0.00 ATOM 708 O GLU 89 7.285 -9.239 7.351 1.00 0.00 ATOM 709 C GLU 89 7.197 -10.053 6.433 1.00 0.00 ATOM 710 N LEU 90 6.662 -9.752 5.257 1.00 0.00 ATOM 711 CA LEU 90 6.389 -8.374 4.873 1.00 0.00 ATOM 712 CB LEU 90 6.226 -8.271 3.352 1.00 0.00 ATOM 713 CG LEU 90 6.096 -6.842 2.805 1.00 0.00 ATOM 714 CD1 LEU 90 5.328 -6.855 1.491 1.00 0.00 ATOM 715 CD2 LEU 90 5.393 -5.967 3.833 1.00 0.00 ATOM 716 O LEU 90 5.243 -6.463 5.730 1.00 0.00 ATOM 717 C LEU 90 5.184 -7.666 5.475 1.00 0.00 ATOM 718 N MET 91 4.099 -8.392 5.702 1.00 0.00 ATOM 719 CA MET 91 2.891 -7.771 6.237 1.00 0.00 ATOM 720 CB MET 91 1.938 -7.405 5.101 1.00 0.00 ATOM 721 CG MET 91 0.897 -6.355 5.464 1.00 0.00 ATOM 722 SD MET 91 -0.182 -5.938 4.081 1.00 0.00 ATOM 723 CE MET 91 0.956 -5.052 3.019 1.00 0.00 ATOM 724 O MET 91 1.057 -9.079 7.093 1.00 0.00 ATOM 725 C MET 91 2.232 -8.732 7.231 1.00 0.00 ATOM 726 N LYS 92 2.992 -9.137 8.246 1.00 0.00 ATOM 727 CA LYS 92 2.502 -10.096 9.231 1.00 0.00 ATOM 728 CB LYS 92 3.605 -10.448 10.231 1.00 0.00 ATOM 729 CG LYS 92 3.341 -11.712 11.039 1.00 0.00 ATOM 730 CD LYS 92 2.353 -11.452 12.165 1.00 0.00 ATOM 731 CE LYS 92 2.083 -12.716 12.969 1.00 0.00 ATOM 732 NZ LYS 92 0.951 -12.542 13.919 1.00 0.00 ATOM 733 O LYS 92 0.519 -10.493 10.508 1.00 0.00 ATOM 734 C LYS 92 1.280 -9.654 10.026 1.00 0.00 ATOM 735 N ASP 93 1.072 -8.356 10.162 1.00 0.00 ATOM 736 CA ASP 93 -0.094 -7.843 10.875 1.00 0.00 ATOM 737 CB ASP 93 -0.092 -6.313 10.894 1.00 0.00 ATOM 738 CG ASP 93 0.955 -5.745 11.831 1.00 0.00 ATOM 739 OD1 ASP 93 1.516 -6.517 12.635 1.00 0.00 ATOM 740 OD2 ASP 93 1.214 -4.524 11.763 1.00 0.00 ATOM 741 O ASP 93 -2.447 -8.405 10.777 1.00 0.00 ATOM 742 C ASP 93 -1.373 -8.319 10.169 1.00 0.00 ATOM 743 N THR 94 -1.253 -8.617 8.880 1.00 0.00 ATOM 744 CA THR 94 -2.388 -9.080 8.090 1.00 0.00 ATOM 745 CB THR 94 -2.530 -8.292 6.775 1.00 0.00 ATOM 746 CG2 THR 94 -2.846 -6.832 7.061 1.00 0.00 ATOM 747 OG1 THR 94 -1.305 -8.366 6.036 1.00 0.00 ATOM 748 O THR 94 -2.648 -10.974 6.621 1.00 0.00 ATOM 749 C THR 94 -2.236 -10.554 7.704 1.00 0.00 ATOM 750 N LYS 95 -1.567 -11.319 8.566 1.00 0.00 ATOM 751 CA LYS 95 -1.364 -12.743 8.317 1.00 0.00 ATOM 752 CB LYS 95 -0.640 -13.394 9.495 1.00 0.00 ATOM 753 CG LYS 95 -0.343 -14.877 9.309 1.00 0.00 ATOM 754 CD LYS 95 0.417 -15.443 10.500 1.00 0.00 ATOM 755 CE LYS 95 0.788 -16.902 10.278 1.00 0.00 ATOM 756 NZ LYS 95 -0.413 -17.780 10.237 1.00 0.00 ATOM 757 O LYS 95 -2.763 -14.289 7.138 1.00 0.00 ATOM 758 C LYS 95 -2.679 -13.473 8.056 1.00 0.00 ATOM 759 N THR 96 -3.717 -13.181 8.842 1.00 0.00 ATOM 760 CA THR 96 -5.002 -13.845 8.635 1.00 0.00 ATOM 761 CB THR 96 -6.017 -13.462 9.727 1.00 0.00 ATOM 762 CG2 THR 96 -7.361 -14.124 9.462 1.00 0.00 ATOM 763 OG1 THR 96 -5.528 -13.882 11.007 1.00 0.00 ATOM 764 O THR 96 -6.138 -14.411 6.586 1.00 0.00 ATOM 765 C THR 96 -5.619 -13.521 7.266 1.00 0.00 ATOM 766 N TRP 97 -5.534 -12.280 6.863 1.00 0.00 ATOM 767 CA TRP 97 -6.066 -11.845 5.577 1.00 0.00 ATOM 768 CB TRP 97 -5.963 -10.324 5.444 1.00 0.00 ATOM 769 CG TRP 97 -6.955 -9.583 6.288 1.00 0.00 ATOM 770 CD1 TRP 97 -6.688 -8.859 7.412 1.00 0.00 ATOM 771 CD2 TRP 97 -8.369 -9.491 6.077 1.00 0.00 ATOM 772 CE2 TRP 97 -8.895 -8.695 7.110 1.00 0.00 ATOM 773 CE3 TRP 97 -9.241 -10.005 5.110 1.00 0.00 ATOM 774 NE1 TRP 97 -7.848 -8.323 7.915 1.00 0.00 ATOM 775 CZ2 TRP 97 -10.246 -8.403 7.210 1.00 0.00 ATOM 776 CZ3 TRP 97 -10.597 -9.710 5.209 1.00 0.00 ATOM 777 CH2 TRP 97 -11.084 -8.932 6.228 1.00 0.00 ATOM 778 O TRP 97 -5.956 -13.051 3.516 1.00 0.00 ATOM 779 C TRP 97 -5.338 -12.519 4.434 1.00 0.00 ATOM 780 N MET 98 -4.006 -12.549 4.482 1.00 0.00 ATOM 781 CA MET 98 -3.200 -13.167 3.442 1.00 0.00 ATOM 782 CB MET 98 -1.719 -12.883 3.683 1.00 0.00 ATOM 783 CG MET 98 -1.283 -11.470 3.323 1.00 0.00 ATOM 784 SD MET 98 -1.218 -11.196 1.541 1.00 0.00 ATOM 785 CE MET 98 -2.802 -10.407 1.263 1.00 0.00 ATOM 786 O MET 98 -3.502 -15.245 2.272 1.00 0.00 ATOM 787 C MET 98 -3.436 -14.677 3.364 1.00 0.00 ATOM 788 N ASP 99 -3.562 -15.313 4.528 1.00 0.00 ATOM 789 CA ASP 99 -3.788 -16.760 4.529 1.00 0.00 ATOM 790 CB ASP 99 -3.755 -17.307 5.958 1.00 0.00 ATOM 791 CG ASP 99 -2.367 -17.359 6.580 1.00 0.00 ATOM 792 OD1 ASP 99 -1.409 -17.202 5.861 1.00 0.00 ATOM 793 OD2 ASP 99 -2.278 -17.396 7.784 1.00 0.00 ATOM 794 O ASP 99 -5.275 -17.958 3.082 1.00 0.00 ATOM 795 C ASP 99 -5.127 -17.006 3.849 1.00 0.00 ATOM 796 N LYS 100 -6.095 -16.100 4.104 1.00 0.00 ATOM 797 CA LYS 100 -7.417 -16.227 3.501 1.00 0.00 ATOM 798 CB LYS 100 -8.383 -15.206 4.105 1.00 0.00 ATOM 799 CG LYS 100 -9.807 -15.298 3.575 1.00 0.00 ATOM 800 CD LYS 100 -10.724 -14.312 4.283 1.00 0.00 ATOM 801 CE LYS 100 -12.143 -14.384 3.736 1.00 0.00 ATOM 802 NZ LYS 100 -13.048 -13.411 4.405 1.00 0.00 ATOM 803 O LYS 100 -8.059 -16.756 1.250 1.00 0.00 ATOM 804 C LYS 100 -7.364 -16.056 1.986 1.00 0.00 ATOM 805 N TYR 101 -6.569 -15.115 1.525 1.00 0.00 ATOM 806 CA TYR 101 -6.407 -14.881 0.089 1.00 0.00 ATOM 807 CB TYR 101 -5.538 -13.647 -0.157 1.00 0.00 ATOM 808 CG TYR 101 -6.242 -12.336 0.116 1.00 0.00 ATOM 809 CD1 TYR 101 -5.973 -11.610 1.267 1.00 0.00 ATOM 810 CD2 TYR 101 -7.171 -11.829 -0.779 1.00 0.00 ATOM 811 CE1 TYR 101 -6.614 -10.412 1.522 1.00 0.00 ATOM 812 CE2 TYR 101 -7.818 -10.632 -0.535 1.00 0.00 ATOM 813 CZ TYR 101 -7.537 -9.926 0.617 1.00 0.00 ATOM 814 OH TYR 101 -8.177 -8.734 0.865 1.00 0.00 ATOM 815 O TYR 101 -6.236 -16.558 -1.616 1.00 0.00 ATOM 816 C TYR 101 -5.796 -16.122 -0.554 1.00 0.00 ATOM 817 N ARG 102 -4.790 -16.703 0.097 1.00 0.00 ATOM 818 CA ARG 102 -4.156 -17.900 -0.441 1.00 0.00 ATOM 819 CB ARG 102 -2.887 -18.266 0.314 1.00 0.00 ATOM 820 CG ARG 102 -2.323 -19.640 -0.013 1.00 0.00 ATOM 821 CD ARG 102 -1.036 -19.949 0.662 1.00 0.00 ATOM 822 NE ARG 102 -1.112 -19.997 2.113 1.00 0.00 ATOM 823 CZ ARG 102 -0.665 -19.027 2.935 1.00 0.00 ATOM 824 NH1 ARG 102 -0.076 -17.953 2.457 1.00 0.00 ATOM 825 NH2 ARG 102 -0.811 -19.197 4.238 1.00 0.00 ATOM 826 O ARG 102 -5.136 -19.913 -1.377 1.00 0.00 ATOM 827 C ARG 102 -5.155 -19.043 -0.474 1.00 0.00 ATOM 828 N THR 103 -6.013 -19.078 0.545 1.00 0.00 ATOM 829 CA THR 103 -7.007 -20.154 0.607 1.00 0.00 ATOM 830 CB THR 103 -7.849 -20.072 1.893 1.00 0.00 ATOM 831 CG2 THR 103 -8.908 -21.164 1.908 1.00 0.00 ATOM 832 OG1 THR 103 -6.996 -20.223 3.036 1.00 0.00 ATOM 833 O THR 103 -8.178 -21.083 -1.295 1.00 0.00 ATOM 834 C THR 103 -7.916 -20.078 -0.618 1.00 0.00 ATOM 835 N LYS 104 -8.407 -18.900 -0.932 1.00 0.00 ATOM 836 CA LYS 104 -9.318 -18.712 -2.071 1.00 0.00 ATOM 837 CB LYS 104 -9.838 -17.275 -2.106 1.00 0.00 ATOM 838 CG LYS 104 -10.800 -16.935 -0.979 1.00 0.00 ATOM 839 CD LYS 104 -11.281 -15.496 -1.079 1.00 0.00 ATOM 840 CE LYS 104 -12.214 -15.146 0.068 1.00 0.00 ATOM 841 NZ LYS 104 -12.675 -13.732 -0.004 1.00 0.00 ATOM 842 O LYS 104 -9.177 -19.582 -4.280 1.00 0.00 ATOM 843 C LYS 104 -8.598 -19.004 -3.377 1.00 0.00 ATOM 844 N LEU 105 -7.334 -18.615 -3.475 1.00 0.00 ATOM 845 CA LEU 105 -6.550 -18.930 -4.685 1.00 0.00 ATOM 846 CB LEU 105 -5.185 -18.232 -4.628 1.00 0.00 ATOM 847 CG LEU 105 -5.226 -16.705 -4.765 1.00 0.00 ATOM 848 CD1 LEU 105 -3.843 -16.121 -4.511 1.00 0.00 ATOM 849 CD2 LEU 105 -5.721 -16.333 -6.156 1.00 0.00 ATOM 850 O LEU 105 -6.501 -20.954 -5.974 1.00 0.00 ATOM 851 C LEU 105 -6.361 -20.446 -4.863 1.00 0.00 ATOM 852 N ASN 106 -6.082 -21.149 -3.753 1.00 0.00 ATOM 853 CA ASN 106 -5.949 -22.613 -3.831 1.00 0.00 ATOM 854 CB ASN 106 -5.663 -23.218 -2.469 1.00 0.00 ATOM 855 CG ASN 106 -4.266 -22.963 -1.975 1.00 0.00 ATOM 856 ND2 ASN 106 -4.063 -23.211 -0.706 1.00 0.00 ATOM 857 OD1 ASN 106 -3.366 -22.616 -2.748 1.00 0.00 ATOM 858 O ASN 106 -7.180 -24.046 -5.322 1.00 0.00 ATOM 859 C ASN 106 -7.224 -23.175 -4.445 1.00 0.00 ATOM 860 N ASP 107 -8.368 -22.689 -3.992 1.00 0.00 ATOM 861 CA ASP 107 -9.652 -23.189 -4.495 1.00 0.00 ATOM 862 CB ASP 107 -10.807 -22.615 -3.671 1.00 0.00 ATOM 863 CG ASP 107 -10.889 -23.221 -2.283 1.00 0.00 ATOM 864 OD1 ASP 107 -10.220 -24.247 -2.043 1.00 0.00 ATOM 865 OD2 ASP 107 -11.623 -22.669 -1.437 1.00 0.00 ATOM 866 O ASP 107 -10.220 -23.649 -6.767 1.00 0.00 ATOM 867 C ASP 107 -9.839 -22.798 -5.958 1.00 0.00 ATOM 868 N SER 108 -9.526 -21.544 -6.296 1.00 0.00 ATOM 869 CA SER 108 -9.688 -21.122 -7.680 1.00 0.00 ATOM 870 CB SER 108 -9.435 -19.618 -7.780 1.00 0.00 ATOM 871 OG SER 108 -10.426 -18.885 -7.084 1.00 0.00 ATOM 872 O SER 108 -9.018 -22.284 -9.667 1.00 0.00 ATOM 873 C SER 108 -8.697 -21.882 -8.550 1.00 0.00 ATOM 874 N ILE 109 -7.482 -22.051 -8.041 1.00 0.00 ATOM 875 CA ILE 109 -6.451 -22.786 -8.757 1.00 0.00 ATOM 876 CB ILE 109 -5.122 -22.795 -7.979 1.00 0.00 ATOM 877 CG1 ILE 109 -4.534 -21.384 -7.911 1.00 0.00 ATOM 878 CG2 ILE 109 -4.113 -23.705 -8.662 1.00 0.00 ATOM 879 CD1 ILE 109 -3.375 -21.252 -6.948 1.00 0.00 ATOM 880 O ILE 109 -6.642 -24.800 -10.047 1.00 0.00 ATOM 881 C ILE 109 -6.877 -24.235 -8.982 1.00 0.00 ATOM 882 N GLY 110 -7.520 -24.826 -7.977 1.00 0.00 ATOM 883 CA GLY 110 -7.980 -26.197 -8.112 1.00 0.00 ATOM 884 O GLY 110 -8.953 -27.282 -10.016 1.00 0.00 ATOM 885 C GLY 110 -8.986 -26.321 -9.244 1.00 0.00 ATOM 886 N ARG 111 -9.878 -25.338 -9.349 1.00 0.00 ATOM 887 CA ARG 111 -10.897 -25.340 -10.395 1.00 0.00 ATOM 888 CB ARG 111 -11.935 -24.247 -10.188 1.00 0.00 ATOM 889 CG ARG 111 -12.879 -24.475 -9.019 1.00 0.00 ATOM 890 CD ARG 111 -13.850 -23.374 -8.793 1.00 0.00 ATOM 891 NE ARG 111 -14.734 -23.575 -7.656 1.00 0.00 ATOM 892 CZ ARG 111 -15.651 -22.683 -7.234 1.00 0.00 ATOM 893 NH1 ARG 111 -15.783 -21.516 -7.824 1.00 0.00 ATOM 894 NH2 ARG 111 -16.400 -23.003 -6.192 1.00 0.00 ATOM 895 O ARG 111 -10.622 -26.045 -12.663 1.00 0.00 ATOM 896 C ARG 111 -10.270 -25.255 -11.780 1.00 0.00 ATOM 897 N ASP 112 -9.303 -24.349 -11.952 1.00 0.00 ATOM 898 CA ASP 112 -8.657 -24.243 -13.250 1.00 0.00 ATOM 899 CB ASP 112 -9.439 -23.260 -14.124 1.00 0.00 ATOM 900 CG ASP 112 -8.965 -23.256 -15.564 1.00 0.00 ATOM 901 OD1 ASP 112 -8.227 -24.185 -15.950 1.00 0.00 ATOM 902 OD2 ASP 112 -9.330 -22.319 -16.306 1.00 0.00 ATOM 903 O ASP 112 -6.898 -22.963 -12.276 1.00 0.00 ATOM 904 C ASP 112 -7.226 -23.736 -13.173 1.00 0.00 TER END