PFRMAT TS TARGET T0351 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 10 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 O_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the carbonyl oxygen METHOD N_NOTOR2 an alphabet for predicting characteristics of hydrogen METHOD bonds from the amide nitrogen 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 For T0351, about all that was tried was more and more desperate fold recognition. METHOD It is difficult in most cases to assign a single template to the METHOD predictions, because the alignments were often short, and different METHOD alignments were added one on top of another to make the fold. METHOD METHOD Model 1 is try10-opt2, which removed some of the templates undertaker METHOD usually chose from the initial pool. In particular, 1bf5A and METHOD 1lvfA were remoeved. try10 seems to have picked 1ut9A as its METHOD final template (though it may be combining with earlier METHOD alignments). This structure is close to what George was METHOD looking for, but the section with the sheet needs to fold METHOD down. METHOD METHOD Model 2 is try11-opt2, which was optimized from the same pool as METHOD try10-opt2, but with stronger constraints based on METHOD residue-residue contact prediction. METHOD METHOD Model 3 is try5-opt2, based mainly on 1bf5A, which gets much of the METHOD shape George was looking for. METHOD METHOD Model 4 is try1-opt2, the fully automatic prediction. METHOD METHOD Model 5 is try4-opt2, which appears to be using 2ap1A as its final METHOD template. METHOD REMARK 6 REMARK 6 T0351 model 5 Tue Jul 18 21:46:35 2006 MODEL 5 PARENT 1g0u_G 2ap1_A 1xqa_A 1ryp_A 1gl6_A REMARK 7 REMARK 7 ALLPARENTS 1g0u_G 2ap1_A 1xqa_A 1ryp_A 1gl6_A 1exr_A 2ahq_A REMARK 7 ALLPARENTS 1f1s_A 1swv_A 1rql_A 1yir_A 1yrv_A 1fse_A 1jl5_A REMARK 7 ALLPARENTS 2a3q_A 1ggz_A 1xm2_A 1cll 1ahr 1vor_O 1bf5_A REMARK 7 ALLPARENTS 1lvf_A 2c5i_T 2c5k_T 1vcs_A 1hs7_A 1wcr_A 2crb_A REMARK 7 ALLPARENTS 2fzt_A 2cw0_A 1ug0_A 2d2s_A 2c2l_A 1ut9_A 1qqe_A REMARK 7 ALLPARENTS 1i4m_A 1d9c_A 1fjg_I 1fjg_M 1rfb_A 1aoi_C 1ezj_A REMARK 7 ALLPARENTS 1hul_A 1a7v_A 1ijx_A 1af5 1bgf ATOM 1 N MET 1 9.059 -4.159 -1.292 1.00 0.00 ATOM 2 CA MET 1 9.113 -4.787 -2.643 1.00 0.00 ATOM 3 CB MET 1 7.724 -5.319 -3.008 1.00 0.00 ATOM 4 CG MET 1 7.768 -6.456 -4.036 1.00 0.00 ATOM 5 SD MET 1 6.183 -6.754 -4.919 1.00 0.00 ATOM 6 CE MET 1 6.747 -7.925 -6.245 1.00 0.00 ATOM 7 O MET 1 8.924 -2.693 -3.811 1.00 0.00 ATOM 8 C MET 1 9.502 -3.778 -3.716 1.00 0.00 ATOM 9 N ILE 2 10.464 -4.165 -4.555 1.00 0.00 ATOM 10 CA ILE 2 10.921 -3.303 -5.635 1.00 0.00 ATOM 11 CB ILE 2 12.243 -3.873 -6.183 1.00 0.00 ATOM 12 CG1 ILE 2 13.295 -3.940 -5.074 1.00 0.00 ATOM 13 CG2 ILE 2 12.778 -2.993 -7.302 1.00 0.00 ATOM 14 CD1 ILE 2 14.541 -4.705 -5.461 1.00 0.00 ATOM 15 O ILE 2 9.488 -2.086 -7.145 1.00 0.00 ATOM 16 C ILE 2 9.845 -3.189 -6.720 1.00 0.00 ATOM 17 N LEU 3 9.266 -4.330 -7.130 1.00 0.00 ATOM 18 CA LEU 3 8.231 -4.319 -8.154 1.00 0.00 ATOM 19 CB LEU 3 7.905 -5.748 -8.603 1.00 0.00 ATOM 20 CG LEU 3 6.738 -5.917 -9.579 1.00 0.00 ATOM 21 CD1 LEU 3 6.941 -5.000 -10.807 1.00 0.00 ATOM 22 CD2 LEU 3 6.632 -7.395 -9.985 1.00 0.00 ATOM 23 O LEU 3 6.449 -2.741 -8.373 1.00 0.00 ATOM 24 C LEU 3 7.053 -3.521 -7.629 1.00 0.00 ATOM 25 N TYR 4 6.734 -3.667 -6.347 1.00 0.00 ATOM 26 CA TYR 4 5.599 -2.976 -5.749 1.00 0.00 ATOM 27 CB TYR 4 5.344 -3.494 -4.332 1.00 0.00 ATOM 28 CG TYR 4 4.174 -2.831 -3.639 1.00 0.00 ATOM 29 CD1 TYR 4 2.869 -3.189 -3.949 1.00 0.00 ATOM 30 CD2 TYR 4 4.379 -1.851 -2.675 1.00 0.00 ATOM 31 CE1 TYR 4 1.794 -2.590 -3.321 1.00 0.00 ATOM 32 CE2 TYR 4 3.317 -1.242 -2.037 1.00 0.00 ATOM 33 CZ TYR 4 2.016 -1.620 -2.367 1.00 0.00 ATOM 34 OH TYR 4 0.947 -1.022 -1.742 1.00 0.00 ATOM 35 O TYR 4 4.774 -0.709 -5.965 1.00 0.00 ATOM 36 C TYR 4 5.722 -1.462 -5.652 1.00 0.00 ATOM 37 N ASP 5 6.904 -1.018 -5.266 1.00 0.00 ATOM 38 CA ASP 5 7.164 0.444 -5.219 1.00 0.00 ATOM 39 CB ASP 5 8.554 0.691 -4.631 1.00 0.00 ATOM 40 CG ASP 5 8.625 0.366 -3.151 1.00 0.00 ATOM 41 OD1 ASP 5 7.556 0.191 -2.529 1.00 0.00 ATOM 42 OD2 ASP 5 9.750 0.289 -2.614 1.00 0.00 ATOM 43 O ASP 5 6.622 2.127 -6.833 1.00 0.00 ATOM 44 C ASP 5 7.137 1.031 -6.624 1.00 0.00 ATOM 45 N ALA 6 7.690 0.309 -7.599 1.00 0.00 ATOM 46 CA ALA 6 7.692 0.771 -9.000 1.00 0.00 ATOM 47 CB ALA 6 8.311 -0.183 -9.923 1.00 0.00 ATOM 48 O ALA 6 5.937 1.956 -10.174 1.00 0.00 ATOM 49 C ALA 6 6.251 0.967 -9.487 1.00 0.00 ATOM 50 N ILE 7 5.387 0.027 -9.115 1.00 0.00 ATOM 51 CA ILE 7 3.994 0.044 -9.540 1.00 0.00 ATOM 52 CB ILE 7 3.277 -1.273 -9.186 1.00 0.00 ATOM 53 CG1 ILE 7 3.841 -2.427 -10.019 1.00 0.00 ATOM 54 CG2 ILE 7 1.787 -1.161 -9.464 1.00 0.00 ATOM 55 CD1 ILE 7 3.385 -3.793 -9.554 1.00 0.00 ATOM 56 O ILE 7 2.396 1.831 -9.616 1.00 0.00 ATOM 57 C ILE 7 3.204 1.184 -8.932 1.00 0.00 ATOM 58 N MET 8 3.391 1.387 -7.628 1.00 0.00 ATOM 59 CA MET 8 2.609 2.426 -6.957 1.00 0.00 ATOM 60 CB MET 8 2.987 2.551 -5.458 1.00 0.00 ATOM 61 CG MET 8 2.521 1.292 -4.721 1.00 0.00 ATOM 62 SD MET 8 0.776 0.893 -4.751 1.00 0.00 ATOM 63 CE MET 8 0.561 -0.116 -6.198 1.00 0.00 ATOM 64 O MET 8 1.930 4.628 -7.650 1.00 0.00 ATOM 65 C MET 8 2.839 3.823 -7.572 1.00 0.00 ATOM 66 N TYR 9 4.048 4.070 -8.056 1.00 0.00 ATOM 67 CA TYR 9 4.340 5.375 -8.660 1.00 0.00 ATOM 68 CB TYR 9 5.813 5.390 -9.074 1.00 0.00 ATOM 69 CG TYR 9 6.237 6.658 -9.780 1.00 0.00 ATOM 70 CD1 TYR 9 6.581 7.793 -9.056 1.00 0.00 ATOM 71 CD2 TYR 9 6.294 6.715 -11.166 1.00 0.00 ATOM 72 CE1 TYR 9 6.972 8.956 -9.692 1.00 0.00 ATOM 73 CE2 TYR 9 6.682 7.870 -11.819 1.00 0.00 ATOM 74 CZ TYR 9 7.021 8.996 -11.069 1.00 0.00 ATOM 75 OH TYR 9 7.408 10.152 -11.705 1.00 0.00 ATOM 76 O TYR 9 2.794 6.541 -10.093 1.00 0.00 ATOM 77 C TYR 9 3.472 5.516 -9.909 1.00 0.00 ATOM 78 N LYS 10 3.469 4.536 -10.747 1.00 0.00 ATOM 79 CA LYS 10 2.768 4.593 -12.025 1.00 0.00 ATOM 80 CB LYS 10 3.268 3.503 -12.974 1.00 0.00 ATOM 81 CG LYS 10 4.690 3.713 -13.467 1.00 0.00 ATOM 82 CD LYS 10 5.133 2.579 -14.379 1.00 0.00 ATOM 83 CE LYS 10 6.542 2.806 -14.899 1.00 0.00 ATOM 84 NZ LYS 10 6.994 1.696 -15.781 1.00 0.00 ATOM 85 O LYS 10 0.515 4.952 -12.723 1.00 0.00 ATOM 86 C LYS 10 1.260 4.463 -11.866 1.00 0.00 ATOM 87 N TYR 11 0.795 3.786 -10.827 1.00 0.00 ATOM 88 CA TYR 11 -0.650 3.628 -10.608 1.00 0.00 ATOM 89 CB TYR 11 -1.028 2.147 -10.655 1.00 0.00 ATOM 90 CG TYR 11 -0.622 1.450 -11.934 1.00 0.00 ATOM 91 CD1 TYR 11 0.494 0.623 -11.969 1.00 0.00 ATOM 92 CD2 TYR 11 -1.353 1.623 -13.101 1.00 0.00 ATOM 93 CE1 TYR 11 0.874 -0.017 -13.134 1.00 0.00 ATOM 94 CE2 TYR 11 -0.987 0.991 -14.276 1.00 0.00 ATOM 95 CZ TYR 11 0.135 0.165 -14.283 1.00 0.00 ATOM 96 OH TYR 11 0.512 -0.470 -15.443 1.00 0.00 ATOM 97 O TYR 11 -1.114 3.485 -8.248 1.00 0.00 ATOM 98 C TYR 11 -1.000 4.209 -9.235 1.00 0.00 ATOM 99 N PRO 12 -1.173 5.539 -9.163 1.00 0.00 ATOM 100 CA PRO 12 -1.497 6.216 -7.900 1.00 0.00 ATOM 101 CB PRO 12 -1.782 7.661 -8.317 1.00 0.00 ATOM 102 CG PRO 12 -0.959 7.863 -9.546 1.00 0.00 ATOM 103 CD PRO 12 -1.025 6.571 -10.310 1.00 0.00 ATOM 104 O PRO 12 -2.745 5.792 -5.898 1.00 0.00 ATOM 105 C PRO 12 -2.704 5.692 -7.125 1.00 0.00 ATOM 106 N ASN 13 -3.715 5.171 -7.882 1.00 0.00 ATOM 107 CA ASN 13 -4.928 4.701 -7.171 1.00 0.00 ATOM 108 CB ASN 13 -6.191 5.299 -7.795 1.00 0.00 ATOM 109 CG ASN 13 -6.230 6.812 -7.694 1.00 0.00 ATOM 110 ND2 ASN 13 -6.114 7.481 -8.835 1.00 0.00 ATOM 111 OD1 ASN 13 -6.364 7.367 -6.605 1.00 0.00 ATOM 112 O ASN 13 -5.771 2.607 -6.358 1.00 0.00 ATOM 113 C ASN 13 -5.058 3.181 -7.182 1.00 0.00 ATOM 114 N ALA 14 -4.404 2.503 -8.087 1.00 0.00 ATOM 115 CA ALA 14 -4.455 1.048 -8.176 1.00 0.00 ATOM 116 CB ALA 14 -3.702 0.569 -9.408 1.00 0.00 ATOM 117 O ALA 14 -3.015 1.061 -6.257 1.00 0.00 ATOM 118 C ALA 14 -3.873 0.460 -6.901 1.00 0.00 ATOM 119 N VAL 15 -4.409 -0.679 -6.502 1.00 0.00 ATOM 120 CA VAL 15 -3.995 -1.377 -5.291 1.00 0.00 ATOM 121 CB VAL 15 -5.184 -1.583 -4.329 1.00 0.00 ATOM 122 CG1 VAL 15 -6.305 -2.372 -5.011 1.00 0.00 ATOM 123 CG2 VAL 15 -4.708 -2.275 -3.064 1.00 0.00 ATOM 124 O VAL 15 -4.097 -3.458 -6.488 1.00 0.00 ATOM 125 C VAL 15 -3.485 -2.763 -5.674 1.00 0.00 ATOM 126 N SER 16 -2.343 -3.150 -5.074 1.00 0.00 ATOM 127 CA SER 16 -1.793 -4.477 -5.325 1.00 0.00 ATOM 128 CB SER 16 -0.838 -4.446 -6.519 1.00 0.00 ATOM 129 OG SER 16 0.314 -3.673 -6.231 1.00 0.00 ATOM 130 O SER 16 -0.698 -4.327 -3.155 1.00 0.00 ATOM 131 C SER 16 -1.017 -5.045 -4.142 1.00 0.00 ATOM 132 N ARG 17 -0.736 -6.348 -4.260 1.00 0.00 ATOM 133 CA ARG 17 -0.110 -7.059 -3.149 1.00 0.00 ATOM 134 CB ARG 17 0.074 -8.562 -3.382 1.00 0.00 ATOM 135 CG ARG 17 -1.184 -9.408 -3.474 1.00 0.00 ATOM 136 CD ARG 17 -0.874 -10.889 -3.311 1.00 0.00 ATOM 137 NE ARG 17 -0.519 -11.176 -1.924 1.00 0.00 ATOM 138 CZ ARG 17 -0.103 -12.358 -1.481 1.00 0.00 ATOM 139 NH1 ARG 17 0.052 -13.383 -2.308 1.00 0.00 ATOM 140 NH2 ARG 17 0.197 -12.515 -0.197 1.00 0.00 ATOM 141 O ARG 17 1.948 -6.086 -3.831 1.00 0.00 ATOM 142 C ARG 17 1.217 -6.373 -2.895 1.00 0.00 ATOM 143 N LYS 18 1.532 -6.061 -1.633 1.00 0.00 ATOM 144 CA LYS 18 2.763 -5.404 -1.242 1.00 0.00 ATOM 145 CB LYS 18 2.407 -4.204 -0.373 1.00 0.00 ATOM 146 CG LYS 18 3.529 -3.460 0.359 1.00 0.00 ATOM 147 CD LYS 18 2.962 -2.126 0.855 1.00 0.00 ATOM 148 CE LYS 18 1.834 -2.404 1.936 1.00 0.00 ATOM 149 NZ LYS 18 0.381 -2.455 1.522 1.00 0.00 ATOM 150 O LYS 18 3.174 -7.113 0.445 1.00 0.00 ATOM 151 C LYS 18 3.585 -6.546 -0.598 1.00 0.00 ATOM 152 N ASP 19 4.777 -6.875 -1.259 1.00 0.00 ATOM 153 CA ASP 19 5.596 -7.947 -0.696 1.00 0.00 ATOM 154 CB ASP 19 5.970 -8.962 -1.778 1.00 0.00 ATOM 155 CG ASP 19 6.767 -10.130 -1.233 1.00 0.00 ATOM 156 OD1 ASP 19 7.068 -10.129 -0.021 1.00 0.00 ATOM 157 OD2 ASP 19 7.089 -11.047 -2.018 1.00 0.00 ATOM 158 O ASP 19 7.590 -6.652 -0.776 1.00 0.00 ATOM 159 C ASP 19 6.866 -7.381 -0.104 1.00 0.00 ATOM 160 N PHE 20 7.142 -7.666 1.134 1.00 0.00 ATOM 161 CA PHE 20 8.343 -7.203 1.820 1.00 0.00 ATOM 162 CB PHE 20 7.995 -6.645 3.202 1.00 0.00 ATOM 163 CG PHE 20 9.187 -6.182 3.987 1.00 0.00 ATOM 164 CD1 PHE 20 9.800 -4.975 3.695 1.00 0.00 ATOM 165 CD2 PHE 20 9.699 -6.952 5.018 1.00 0.00 ATOM 166 CE1 PHE 20 10.899 -4.548 4.418 1.00 0.00 ATOM 167 CE2 PHE 20 10.797 -6.525 5.740 1.00 0.00 ATOM 168 CZ PHE 20 11.396 -5.329 5.444 1.00 0.00 ATOM 169 O PHE 20 8.862 -9.430 2.490 1.00 0.00 ATOM 170 C PHE 20 9.284 -8.367 2.012 1.00 0.00 ATOM 171 N GLU 21 10.539 -8.171 1.636 1.00 0.00 ATOM 172 CA GLU 21 11.577 -9.129 1.931 1.00 0.00 ATOM 173 CB GLU 21 12.194 -9.636 0.625 1.00 0.00 ATOM 174 CG GLU 21 11.237 -10.434 -0.244 1.00 0.00 ATOM 175 CD GLU 21 11.898 -10.969 -1.499 1.00 0.00 ATOM 176 OE1 GLU 21 13.102 -10.700 -1.698 1.00 0.00 ATOM 177 OE2 GLU 21 11.213 -11.656 -2.286 1.00 0.00 ATOM 178 O GLU 21 13.128 -7.318 2.309 1.00 0.00 ATOM 179 C GLU 21 12.634 -8.386 2.737 1.00 0.00 ATOM 180 N LEU 22 13.028 -8.973 3.841 1.00 0.00 ATOM 181 CA LEU 22 14.129 -8.437 4.671 1.00 0.00 ATOM 182 CB LEU 22 13.679 -8.430 6.133 1.00 0.00 ATOM 183 CG LEU 22 14.671 -7.857 7.145 1.00 0.00 ATOM 184 CD1 LEU 22 14.875 -6.367 6.916 1.00 0.00 ATOM 185 CD2 LEU 22 14.163 -8.053 8.566 1.00 0.00 ATOM 186 O LEU 22 15.377 -10.511 4.629 1.00 0.00 ATOM 187 C LEU 22 15.424 -9.274 4.500 1.00 0.00 ATOM 188 N ARG 23 16.520 -8.594 4.203 1.00 0.00 ATOM 189 CA ARG 23 17.822 -9.217 3.911 1.00 0.00 ATOM 190 CB ARG 23 18.275 -8.889 2.487 1.00 0.00 ATOM 191 CG ARG 23 17.362 -9.439 1.404 1.00 0.00 ATOM 192 CD ARG 23 17.869 -9.075 0.018 1.00 0.00 ATOM 193 NE ARG 23 19.177 -9.663 -0.259 1.00 0.00 ATOM 194 CZ ARG 23 19.942 -9.331 -1.293 1.00 0.00 ATOM 195 NH1 ARG 23 21.118 -9.919 -1.464 1.00 0.00 ATOM 196 NH2 ARG 23 19.528 -8.412 -2.155 1.00 0.00 ATOM 197 O ARG 23 18.839 -7.444 5.280 1.00 0.00 ATOM 198 C ARG 23 18.867 -8.634 4.883 1.00 0.00 ATOM 199 N ASN 24 19.657 -9.531 5.238 1.00 0.00 ATOM 200 CA ASN 24 20.763 -9.156 6.076 1.00 0.00 ATOM 201 CB ASN 24 21.440 -10.356 6.740 1.00 0.00 ATOM 202 CG ASN 24 22.486 -9.947 7.757 1.00 0.00 ATOM 203 ND2 ASN 24 22.748 -10.824 8.720 1.00 0.00 ATOM 204 OD1 ASN 24 23.051 -8.856 7.677 1.00 0.00 ATOM 205 O ASN 24 22.138 -9.056 4.126 1.00 0.00 ATOM 206 C ASN 24 21.672 -8.440 5.084 1.00 0.00 ATOM 207 N ASP 25 21.850 -7.138 5.256 1.00 0.00 ATOM 208 CA ASP 25 22.682 -6.350 4.334 1.00 0.00 ATOM 209 CB ASP 25 22.841 -4.918 4.848 1.00 0.00 ATOM 210 CG ASP 25 21.574 -4.101 4.701 1.00 0.00 ATOM 211 OD1 ASP 25 20.649 -4.561 3.997 1.00 0.00 ATOM 212 OD2 ASP 25 21.504 -3.000 5.287 1.00 0.00 ATOM 213 O ASP 25 24.597 -7.006 3.020 1.00 0.00 ATOM 214 C ASP 25 24.092 -6.896 4.136 1.00 0.00 ATOM 215 N GLY 26 24.896 -7.371 5.254 1.00 0.00 ATOM 216 CA GLY 26 26.262 -7.780 5.024 1.00 0.00 ATOM 217 O GLY 26 27.058 -9.074 3.170 1.00 0.00 ATOM 218 C GLY 26 26.374 -9.058 4.235 1.00 0.00 ATOM 219 N ASN 27 25.745 -10.096 4.575 1.00 0.00 ATOM 220 CA ASN 27 25.880 -11.397 3.881 1.00 0.00 ATOM 221 CB ASN 27 25.614 -12.592 4.798 1.00 0.00 ATOM 222 CG ASN 27 26.718 -12.802 5.817 1.00 0.00 ATOM 223 ND2 ASN 27 26.396 -13.495 6.902 1.00 0.00 ATOM 224 OD1 ASN 27 27.845 -12.346 5.626 1.00 0.00 ATOM 225 O ASN 27 25.097 -12.504 1.899 1.00 0.00 ATOM 226 C ASN 27 24.941 -11.565 2.691 1.00 0.00 ATOM 227 N GLY 28 23.960 -10.675 2.581 1.00 0.00 ATOM 228 CA GLY 28 22.998 -10.756 1.497 1.00 0.00 ATOM 229 O GLY 28 21.060 -11.973 0.858 1.00 0.00 ATOM 230 C GLY 28 21.964 -11.860 1.675 1.00 0.00 ATOM 231 N SER 29 22.047 -12.637 2.752 1.00 0.00 ATOM 232 CA SER 29 21.094 -13.710 2.955 1.00 0.00 ATOM 233 CB SER 29 21.427 -14.490 4.227 1.00 0.00 ATOM 234 OG SER 29 20.461 -15.496 4.477 1.00 0.00 ATOM 235 O SER 29 19.409 -12.156 3.698 1.00 0.00 ATOM 236 C SER 29 19.653 -13.198 3.095 1.00 0.00 ATOM 237 N TYR 30 18.723 -13.885 2.438 1.00 0.00 ATOM 238 CA TYR 30 17.317 -13.518 2.507 1.00 0.00 ATOM 239 CB TYR 30 16.555 -14.092 1.312 1.00 0.00 ATOM 240 CG TYR 30 16.872 -13.412 -0.000 1.00 0.00 ATOM 241 CD1 TYR 30 17.777 -13.973 -0.892 1.00 0.00 ATOM 242 CD2 TYR 30 16.265 -12.212 -0.344 1.00 0.00 ATOM 243 CE1 TYR 30 18.075 -13.359 -2.094 1.00 0.00 ATOM 244 CE2 TYR 30 16.550 -11.581 -1.542 1.00 0.00 ATOM 245 CZ TYR 30 17.462 -12.168 -2.418 1.00 0.00 ATOM 246 OH TYR 30 17.755 -11.554 -3.615 1.00 0.00 ATOM 247 O TYR 30 17.012 -15.292 4.050 1.00 0.00 ATOM 248 C TYR 30 16.834 -14.101 3.812 1.00 0.00 ATOM 249 N ILE 31 16.328 -13.249 4.703 1.00 0.00 ATOM 250 CA ILE 31 15.876 -13.743 5.994 1.00 0.00 ATOM 251 CB ILE 31 16.519 -12.980 7.169 1.00 0.00 ATOM 252 CG1 ILE 31 16.137 -11.499 7.116 1.00 0.00 ATOM 253 CG2 ILE 31 18.034 -13.089 7.108 1.00 0.00 ATOM 254 CD1 ILE 31 16.535 -10.722 8.351 1.00 0.00 ATOM 255 O ILE 31 14.054 -14.541 7.298 1.00 0.00 ATOM 256 C ILE 31 14.427 -13.736 6.432 1.00 0.00 ATOM 257 N GLU 32 13.490 -12.828 5.952 1.00 0.00 ATOM 258 CA GLU 32 12.077 -12.829 6.308 1.00 0.00 ATOM 259 CB GLU 32 11.837 -11.976 7.556 1.00 0.00 ATOM 260 CG GLU 32 12.597 -12.448 8.785 1.00 0.00 ATOM 261 CD GLU 32 12.323 -11.589 10.003 1.00 0.00 ATOM 262 OE1 GLU 32 12.681 -10.394 9.981 1.00 0.00 ATOM 263 OE2 GLU 32 11.749 -12.113 10.982 1.00 0.00 ATOM 264 O GLU 32 11.767 -11.414 4.425 1.00 0.00 ATOM 265 C GLU 32 11.275 -12.253 5.170 1.00 0.00 ATOM 266 N LYS 33 10.048 -12.725 5.038 1.00 0.00 ATOM 267 CA LYS 33 9.110 -12.240 4.016 1.00 0.00 ATOM 268 CB LYS 33 9.000 -13.253 2.876 1.00 0.00 ATOM 269 CG LYS 33 10.273 -13.409 2.059 1.00 0.00 ATOM 270 CD LYS 33 10.067 -14.359 0.891 1.00 0.00 ATOM 271 CE LYS 33 11.340 -14.512 0.073 1.00 0.00 ATOM 272 NZ LYS 33 11.161 -15.464 -1.059 1.00 0.00 ATOM 273 O LYS 33 7.290 -12.792 5.486 1.00 0.00 ATOM 274 C LYS 33 7.725 -12.025 4.626 1.00 0.00 ATOM 275 N TRP 34 7.035 -10.984 4.169 1.00 0.00 ATOM 276 CA TRP 34 5.644 -10.746 4.568 1.00 0.00 ATOM 277 CB TRP 34 5.578 -9.933 5.863 1.00 0.00 ATOM 278 CG TRP 34 4.185 -9.729 6.373 1.00 0.00 ATOM 279 CD1 TRP 34 3.114 -10.555 6.183 1.00 0.00 ATOM 280 CD2 TRP 34 3.710 -8.630 7.160 1.00 0.00 ATOM 281 CE2 TRP 34 2.342 -8.855 7.409 1.00 0.00 ATOM 282 CE3 TRP 34 4.308 -7.477 7.677 1.00 0.00 ATOM 283 NE1 TRP 34 2.001 -10.038 6.802 1.00 0.00 ATOM 284 CZ2 TRP 34 1.562 -7.971 8.153 1.00 0.00 ATOM 285 CZ3 TRP 34 3.531 -6.603 8.415 1.00 0.00 ATOM 286 CH2 TRP 34 2.174 -6.852 8.647 1.00 0.00 ATOM 287 O TRP 34 5.520 -8.975 2.968 1.00 0.00 ATOM 288 C TRP 34 4.957 -9.971 3.458 1.00 0.00 ATOM 289 N ASN 35 3.729 -10.377 3.124 1.00 0.00 ATOM 290 CA ASN 35 2.914 -9.697 2.108 1.00 0.00 ATOM 291 CB ASN 35 2.663 -10.629 0.921 1.00 0.00 ATOM 292 CG ASN 35 1.909 -9.950 -0.206 1.00 0.00 ATOM 293 ND2 ASN 35 2.612 -9.654 -1.292 1.00 0.00 ATOM 294 OD1 ASN 35 0.709 -9.695 -0.096 1.00 0.00 ATOM 295 O ASN 35 0.985 -10.013 3.505 1.00 0.00 ATOM 296 C ASN 35 1.571 -9.283 2.693 1.00 0.00 ATOM 297 N LEU 36 1.095 -8.116 2.281 1.00 0.00 ATOM 298 CA LEU 36 -0.214 -7.619 2.691 1.00 0.00 ATOM 299 CB LEU 36 -0.063 -6.488 3.710 1.00 0.00 ATOM 300 CG LEU 36 0.638 -6.847 5.022 1.00 0.00 ATOM 301 CD1 LEU 36 0.874 -5.602 5.863 1.00 0.00 ATOM 302 CD2 LEU 36 -0.206 -7.817 5.835 1.00 0.00 ATOM 303 O LEU 36 -0.270 -6.947 0.395 1.00 0.00 ATOM 304 C LEU 36 -0.915 -7.118 1.418 1.00 0.00 ATOM 305 N ARG 37 -2.248 -6.943 1.448 1.00 0.00 ATOM 306 CA ARG 37 -2.942 -6.373 0.281 1.00 0.00 ATOM 307 CB ARG 37 -4.467 -6.608 0.423 1.00 0.00 ATOM 308 CG ARG 37 -5.126 -5.661 1.426 1.00 0.00 ATOM 309 CD ARG 37 -6.566 -6.077 1.695 1.00 0.00 ATOM 310 NE ARG 37 -7.233 -5.212 2.664 1.00 0.00 ATOM 311 CZ ARG 37 -7.833 -4.065 2.363 1.00 0.00 ATOM 312 NH1 ARG 37 -8.413 -3.348 3.319 1.00 0.00 ATOM 313 NH2 ARG 37 -7.869 -3.642 1.107 1.00 0.00 ATOM 314 O ARG 37 -2.302 -4.194 1.003 1.00 0.00 ATOM 315 C ARG 37 -2.543 -4.923 0.032 1.00 0.00 ATOM 316 N ALA 38 -2.457 -4.504 -1.242 1.00 0.00 ATOM 317 CA ALA 38 -2.171 -3.108 -1.572 1.00 0.00 ATOM 318 CB ALA 38 -1.740 -2.986 -3.025 1.00 0.00 ATOM 319 O ALA 38 -4.475 -2.486 -1.968 1.00 0.00 ATOM 320 C ALA 38 -3.428 -2.248 -1.334 1.00 0.00 ATOM 321 N PRO 39 -3.345 -1.254 -0.436 1.00 0.00 ATOM 322 CA PRO 39 -4.557 -0.455 -0.247 1.00 0.00 ATOM 323 CB PRO 39 -4.230 0.449 0.921 1.00 0.00 ATOM 324 CG PRO 39 -2.739 0.606 0.855 1.00 0.00 ATOM 325 CD PRO 39 -2.205 -0.689 0.273 1.00 0.00 ATOM 326 O PRO 39 -3.870 1.055 -1.935 1.00 0.00 ATOM 327 C PRO 39 -4.800 0.415 -1.451 1.00 0.00 ATOM 328 N LEU 40 -6.045 0.443 -1.922 1.00 0.00 ATOM 329 CA LEU 40 -6.433 1.312 -3.037 1.00 0.00 ATOM 330 CB LEU 40 -7.142 0.460 -4.106 1.00 0.00 ATOM 331 CG LEU 40 -7.804 1.217 -5.259 1.00 0.00 ATOM 332 CD1 LEU 40 -6.773 2.057 -6.002 1.00 0.00 ATOM 333 CD2 LEU 40 -8.445 0.211 -6.201 1.00 0.00 ATOM 334 O LEU 40 -7.332 3.521 -3.118 1.00 0.00 ATOM 335 C LEU 40 -7.298 2.441 -2.484 1.00 0.00 ATOM 336 N PRO 41 -7.968 2.256 -1.277 1.00 0.00 ATOM 337 CA PRO 41 -8.810 3.339 -0.755 1.00 0.00 ATOM 338 CB PRO 41 -9.532 2.690 0.449 1.00 0.00 ATOM 339 CG PRO 41 -9.468 1.248 0.265 1.00 0.00 ATOM 340 CD PRO 41 -8.169 1.020 -0.502 1.00 0.00 ATOM 341 O PRO 41 -9.107 5.737 -0.703 1.00 0.00 ATOM 342 C PRO 41 -8.339 4.775 -0.489 1.00 0.00 ATOM 343 N THR 42 -7.105 4.949 -0.008 1.00 0.00 ATOM 344 CA THR 42 -6.604 6.282 0.302 1.00 0.00 ATOM 345 CB THR 42 -7.192 6.813 1.623 1.00 0.00 ATOM 346 CG2 THR 42 -6.707 5.974 2.796 1.00 0.00 ATOM 347 OG1 THR 42 -6.779 8.170 1.820 1.00 0.00 ATOM 348 O THR 42 -4.509 5.165 0.722 1.00 0.00 ATOM 349 C THR 42 -5.075 6.236 0.384 1.00 0.00 ATOM 350 N GLN 43 -4.483 7.384 0.218 1.00 0.00 ATOM 351 CA GLN 43 -3.035 7.473 0.380 1.00 0.00 ATOM 352 CB GLN 43 -2.562 8.875 -0.011 1.00 0.00 ATOM 353 CG GLN 43 -2.699 9.185 -1.493 1.00 0.00 ATOM 354 CD GLN 43 -2.327 10.617 -1.825 1.00 0.00 ATOM 355 OE1 GLN 43 -2.056 11.421 -0.933 1.00 0.00 ATOM 356 NE2 GLN 43 -2.311 10.938 -3.114 1.00 0.00 ATOM 357 O GLN 43 -1.571 6.552 2.049 1.00 0.00 ATOM 358 C GLN 43 -2.614 7.201 1.815 1.00 0.00 ATOM 359 N ALA 44 -3.365 7.688 2.810 1.00 0.00 ATOM 360 CA ALA 44 -3.035 7.474 4.216 1.00 0.00 ATOM 361 CB ALA 44 -4.075 8.118 5.121 1.00 0.00 ATOM 362 O ALA 44 -2.081 5.503 5.237 1.00 0.00 ATOM 363 C ALA 44 -2.985 5.954 4.531 1.00 0.00 ATOM 364 N GLU 45 -3.929 5.170 4.012 1.00 0.00 ATOM 365 CA GLU 45 -3.932 3.715 4.244 1.00 0.00 ATOM 366 CB GLU 45 -5.182 3.066 3.682 1.00 0.00 ATOM 367 CG GLU 45 -6.426 3.377 4.492 1.00 0.00 ATOM 368 CD GLU 45 -7.717 2.959 3.799 1.00 0.00 ATOM 369 OE1 GLU 45 -7.782 3.013 2.551 1.00 0.00 ATOM 370 OE2 GLU 45 -8.685 2.602 4.507 1.00 0.00 ATOM 371 O GLU 45 -2.073 2.194 4.139 1.00 0.00 ATOM 372 C GLU 45 -2.712 3.083 3.581 1.00 0.00 ATOM 373 N LEU 46 -2.355 3.570 2.372 1.00 0.00 ATOM 374 CA LEU 46 -1.205 3.058 1.635 1.00 0.00 ATOM 375 CB LEU 46 -1.115 3.757 0.277 1.00 0.00 ATOM 376 CG LEU 46 0.067 3.363 -0.611 1.00 0.00 ATOM 377 CD1 LEU 46 0.003 1.883 -0.963 1.00 0.00 ATOM 378 CD2 LEU 46 0.056 4.160 -1.905 1.00 0.00 ATOM 379 O LEU 46 0.921 2.435 2.607 1.00 0.00 ATOM 380 C LEU 46 0.096 3.343 2.409 1.00 0.00 ATOM 381 N GLU 47 0.274 4.590 2.845 1.00 0.00 ATOM 382 CA GLU 47 1.456 4.975 3.586 1.00 0.00 ATOM 383 CB GLU 47 1.371 6.445 4.004 1.00 0.00 ATOM 384 CG GLU 47 1.516 7.427 2.851 1.00 0.00 ATOM 385 CD GLU 47 1.305 8.865 3.282 1.00 0.00 ATOM 386 OE1 GLU 47 0.971 9.089 4.465 1.00 0.00 ATOM 387 OE2 GLU 47 1.473 9.769 2.436 1.00 0.00 ATOM 388 O GLU 47 2.683 3.694 5.170 1.00 0.00 ATOM 389 C GLU 47 1.584 4.124 4.839 1.00 0.00 ATOM 390 N THR 48 0.470 3.908 5.551 1.00 0.00 ATOM 391 CA THR 48 0.527 3.079 6.767 1.00 0.00 ATOM 392 CB THR 48 -0.836 3.035 7.483 1.00 0.00 ATOM 393 CG2 THR 48 -0.763 2.140 8.711 1.00 0.00 ATOM 394 OG1 THR 48 -1.206 4.356 7.894 1.00 0.00 ATOM 395 O THR 48 1.642 1.044 7.201 1.00 0.00 ATOM 396 C THR 48 0.906 1.643 6.442 1.00 0.00 ATOM 397 N TRP 49 0.407 1.076 5.332 1.00 0.00 ATOM 398 CA TRP 49 0.719 -0.325 5.023 1.00 0.00 ATOM 399 CB TRP 49 0.079 -0.738 3.697 1.00 0.00 ATOM 400 CG TRP 49 -1.400 -0.956 3.787 1.00 0.00 ATOM 401 CD1 TRP 49 -2.380 -0.162 3.262 1.00 0.00 ATOM 402 CD2 TRP 49 -2.070 -2.041 4.442 1.00 0.00 ATOM 403 CE2 TRP 49 -3.454 -1.838 4.273 1.00 0.00 ATOM 404 CE3 TRP 49 -1.635 -3.162 5.154 1.00 0.00 ATOM 405 NE1 TRP 49 -3.618 -0.684 3.549 1.00 0.00 ATOM 406 CZ2 TRP 49 -4.406 -2.716 4.792 1.00 0.00 ATOM 407 CZ3 TRP 49 -2.582 -4.030 5.666 1.00 0.00 ATOM 408 CH2 TRP 49 -3.951 -3.804 5.484 1.00 0.00 ATOM 409 O TRP 49 2.835 -1.359 5.591 1.00 0.00 ATOM 410 C TRP 49 2.227 -0.489 4.931 1.00 0.00 ATOM 411 N TRP 50 2.859 0.413 4.191 1.00 0.00 ATOM 412 CA TRP 50 4.287 0.357 4.001 1.00 0.00 ATOM 413 CB TRP 50 4.708 1.381 2.902 1.00 0.00 ATOM 414 CG TRP 50 6.182 1.671 2.924 1.00 0.00 ATOM 415 CD1 TRP 50 6.775 2.878 3.164 1.00 0.00 ATOM 416 CD2 TRP 50 7.246 0.731 2.740 1.00 0.00 ATOM 417 CE2 TRP 50 8.461 1.439 2.884 1.00 0.00 ATOM 418 CE3 TRP 50 7.294 -0.642 2.468 1.00 0.00 ATOM 419 NE1 TRP 50 8.143 2.747 3.143 1.00 0.00 ATOM 420 CZ2 TRP 50 9.712 0.822 2.766 1.00 0.00 ATOM 421 CZ3 TRP 50 8.541 -1.259 2.350 1.00 0.00 ATOM 422 CH2 TRP 50 9.732 -0.522 2.499 1.00 0.00 ATOM 423 O TRP 50 6.037 -0.023 5.606 1.00 0.00 ATOM 424 C TRP 50 5.078 0.675 5.272 1.00 0.00 ATOM 425 N GLU 51 4.675 1.725 5.978 1.00 0.00 ATOM 426 CA GLU 51 5.450 2.144 7.156 1.00 0.00 ATOM 427 CB GLU 51 4.915 3.466 7.709 1.00 0.00 ATOM 428 CG GLU 51 5.197 4.669 6.823 1.00 0.00 ATOM 429 CD GLU 51 4.547 5.938 7.339 1.00 0.00 ATOM 430 OE1 GLU 51 3.819 5.864 8.351 1.00 0.00 ATOM 431 OE2 GLU 51 4.768 7.007 6.733 1.00 0.00 ATOM 432 O GLU 51 6.392 0.845 8.937 1.00 0.00 ATOM 433 C GLU 51 5.392 1.100 8.263 1.00 0.00 ATOM 434 N GLU 52 4.231 0.501 8.470 1.00 0.00 ATOM 435 CA GLU 52 4.059 -0.528 9.490 1.00 0.00 ATOM 436 CB GLU 52 2.612 -1.025 9.542 1.00 0.00 ATOM 437 CG GLU 52 2.333 -2.007 10.668 1.00 0.00 ATOM 438 CD GLU 52 0.879 -2.431 10.725 1.00 0.00 ATOM 439 OE1 GLU 52 0.087 -1.950 9.887 1.00 0.00 ATOM 440 OE2 GLU 52 0.532 -3.246 11.605 1.00 0.00 ATOM 441 O GLU 52 5.483 -2.290 10.189 1.00 0.00 ATOM 442 C GLU 52 4.976 -1.717 9.242 1.00 0.00 ATOM 443 N LEU 53 5.169 -2.072 7.968 1.00 0.00 ATOM 444 CA LEU 53 6.093 -3.139 7.609 1.00 0.00 ATOM 445 CB LEU 53 5.857 -3.448 6.050 1.00 0.00 ATOM 446 CG LEU 53 6.774 -4.501 5.408 1.00 0.00 ATOM 447 CD1 LEU 53 6.748 -5.863 6.223 1.00 0.00 ATOM 448 CD2 LEU 53 6.367 -4.697 3.934 1.00 0.00 ATOM 449 O LEU 53 8.252 -3.629 8.461 1.00 0.00 ATOM 450 C LEU 53 7.517 -2.783 7.934 1.00 0.00 ATOM 451 N GLN 54 7.935 -1.556 7.629 1.00 0.00 ATOM 452 CA GLN 54 9.294 -1.107 7.958 1.00 0.00 ATOM 453 CB GLN 54 9.516 0.328 7.473 1.00 0.00 ATOM 454 CG GLN 54 10.915 0.863 7.738 1.00 0.00 ATOM 455 CD GLN 54 11.103 2.277 7.228 1.00 0.00 ATOM 456 OE1 GLN 54 10.160 2.904 6.744 1.00 0.00 ATOM 457 NE2 GLN 54 12.326 2.784 7.333 1.00 0.00 ATOM 458 O GLN 54 10.473 -1.629 10.010 1.00 0.00 ATOM 459 C GLN 54 9.456 -1.151 9.486 1.00 0.00 ATOM 460 N LYS 55 8.448 -0.669 10.240 1.00 0.00 ATOM 461 CA LYS 55 8.527 -0.679 11.693 1.00 0.00 ATOM 462 CB LYS 55 7.375 0.148 12.265 1.00 0.00 ATOM 463 CG LYS 55 7.502 1.643 12.020 1.00 0.00 ATOM 464 CD LYS 55 6.323 2.401 12.609 1.00 0.00 ATOM 465 CE LYS 55 6.450 3.896 12.363 1.00 0.00 ATOM 466 NZ LYS 55 5.288 4.648 12.910 1.00 0.00 ATOM 467 O LYS 55 9.020 -2.335 13.361 1.00 0.00 ATOM 468 C LYS 55 8.429 -2.084 12.328 1.00 0.00 ATOM 469 N ASN 56 7.685 -2.994 11.704 1.00 0.00 ATOM 470 CA ASN 56 7.452 -4.348 12.258 1.00 0.00 ATOM 471 CB ASN 56 6.037 -4.455 12.831 1.00 0.00 ATOM 472 CG ASN 56 5.818 -5.742 13.601 1.00 0.00 ATOM 473 ND2 ASN 56 4.771 -5.770 14.420 1.00 0.00 ATOM 474 OD1 ASN 56 6.579 -6.699 13.461 1.00 0.00 ATOM 475 O ASN 56 6.631 -5.860 10.539 1.00 0.00 ATOM 476 C ASN 56 7.603 -5.466 11.201 1.00 0.00 ATOM 477 N PRO 57 8.852 -5.884 10.989 1.00 0.00 ATOM 478 CA PRO 57 9.171 -6.897 9.972 1.00 0.00 ATOM 479 CB PRO 57 10.681 -7.101 10.114 1.00 0.00 ATOM 480 CG PRO 57 11.166 -5.853 10.771 1.00 0.00 ATOM 481 CD PRO 57 10.069 -5.418 11.702 1.00 0.00 ATOM 482 O PRO 57 8.092 -8.436 11.373 1.00 0.00 ATOM 483 C PRO 57 8.415 -8.175 10.223 1.00 0.00 ATOM 484 N PRO 58 8.208 -8.959 9.187 1.00 0.00 ATOM 485 CA PRO 58 7.314 -10.124 9.310 1.00 0.00 ATOM 486 CB PRO 58 7.168 -10.589 7.877 1.00 0.00 ATOM 487 CG PRO 58 8.485 -10.223 7.257 1.00 0.00 ATOM 488 CD PRO 58 8.715 -8.827 7.799 1.00 0.00 ATOM 489 O PRO 58 9.155 -11.408 10.169 1.00 0.00 ATOM 490 C PRO 58 7.933 -11.264 10.083 1.00 0.00 ATOM 491 N TYR 59 7.036 -12.085 10.621 1.00 0.00 ATOM 492 CA TYR 59 7.375 -13.313 11.321 1.00 0.00 ATOM 493 CB TYR 59 7.267 -13.118 12.835 1.00 0.00 ATOM 494 CG TYR 59 8.195 -12.060 13.384 1.00 0.00 ATOM 495 CD1 TYR 59 7.770 -10.745 13.528 1.00 0.00 ATOM 496 CD2 TYR 59 9.495 -12.378 13.758 1.00 0.00 ATOM 497 CE1 TYR 59 8.611 -9.771 14.031 1.00 0.00 ATOM 498 CE2 TYR 59 10.351 -11.416 14.262 1.00 0.00 ATOM 499 CZ TYR 59 9.898 -10.105 14.395 1.00 0.00 ATOM 500 OH TYR 59 10.737 -9.136 14.896 1.00 0.00 ATOM 501 O TYR 59 5.583 -14.111 9.915 1.00 0.00 ATOM 502 C TYR 59 6.375 -14.363 10.840 1.00 0.00 ATOM 503 N GLU 60 6.478 -15.556 11.425 1.00 0.00 ATOM 504 CA GLU 60 5.626 -16.701 11.093 1.00 0.00 ATOM 505 CB GLU 60 5.893 -17.862 12.053 1.00 0.00 ATOM 506 CG GLU 60 5.090 -19.116 11.747 1.00 0.00 ATOM 507 CD GLU 60 5.425 -20.265 12.677 1.00 0.00 ATOM 508 OE1 GLU 60 6.303 -20.086 13.548 1.00 0.00 ATOM 509 OE2 GLU 60 4.811 -21.343 12.536 1.00 0.00 ATOM 510 O GLU 60 3.370 -16.582 10.282 1.00 0.00 ATOM 511 C GLU 60 4.153 -16.290 11.186 1.00 0.00 ATOM 512 N PRO 61 3.786 -15.555 12.262 1.00 0.00 ATOM 513 CA PRO 61 2.384 -15.140 12.400 1.00 0.00 ATOM 514 CB PRO 61 2.421 -14.271 13.655 1.00 0.00 ATOM 515 CG PRO 61 3.458 -14.958 14.489 1.00 0.00 ATOM 516 CD PRO 61 4.553 -15.260 13.480 1.00 0.00 ATOM 517 O PRO 61 0.656 -14.435 10.885 1.00 0.00 ATOM 518 C PRO 61 1.833 -14.304 11.236 1.00 0.00 ATOM 519 N PRO 62 2.678 -13.452 10.649 1.00 0.00 ATOM 520 CA PRO 62 2.268 -12.598 9.526 1.00 0.00 ATOM 521 CB PRO 62 3.447 -11.733 9.226 1.00 0.00 ATOM 522 CG PRO 62 4.018 -11.519 10.585 1.00 0.00 ATOM 523 CD PRO 62 3.916 -12.855 11.279 1.00 0.00 ATOM 524 O PRO 62 0.783 -13.300 7.781 1.00 0.00 ATOM 525 C PRO 62 1.853 -13.509 8.365 1.00 0.00 ATOM 526 N ASP 63 2.640 -14.541 8.120 1.00 0.00 ATOM 527 CA ASP 63 2.286 -15.454 7.041 1.00 0.00 ATOM 528 CB ASP 63 3.424 -16.462 6.865 1.00 0.00 ATOM 529 CG ASP 63 4.647 -15.854 6.207 1.00 0.00 ATOM 530 OD1 ASP 63 4.535 -14.729 5.674 1.00 0.00 ATOM 531 OD2 ASP 63 5.715 -16.500 6.224 1.00 0.00 ATOM 532 O ASP 63 0.134 -16.400 6.537 1.00 0.00 ATOM 533 C ASP 63 1.001 -16.205 7.388 1.00 0.00 ATOM 534 N GLN 64 0.860 -16.642 8.629 1.00 0.00 ATOM 535 CA GLN 64 -0.305 -17.380 9.104 1.00 0.00 ATOM 536 CB GLN 64 -0.179 -17.677 10.599 1.00 0.00 ATOM 537 CG GLN 64 -1.335 -18.481 11.172 1.00 0.00 ATOM 538 CD GLN 64 -1.156 -18.789 12.646 1.00 0.00 ATOM 539 OE1 GLN 64 -0.145 -18.426 13.249 1.00 0.00 ATOM 540 NE2 GLN 64 -2.139 -19.461 13.232 1.00 0.00 ATOM 541 O GLN 64 -2.558 -17.085 8.343 1.00 0.00 ATOM 542 C GLN 64 -1.606 -16.599 8.955 1.00 0.00 ATOM 543 N VAL 65 -1.644 -15.400 9.500 1.00 0.00 ATOM 544 CA VAL 65 -2.851 -14.582 9.421 1.00 0.00 ATOM 545 CB VAL 65 -2.691 -13.303 10.264 1.00 0.00 ATOM 546 CG1 VAL 65 -3.899 -12.396 10.091 1.00 0.00 ATOM 547 CG2 VAL 65 -2.559 -13.651 11.740 1.00 0.00 ATOM 548 O VAL 65 -4.410 -14.147 7.667 1.00 0.00 ATOM 549 C VAL 65 -3.233 -14.154 8.012 1.00 0.00 ATOM 550 N GLU 66 -2.244 -13.818 7.197 1.00 0.00 ATOM 551 CA GLU 66 -2.487 -13.371 5.834 1.00 0.00 ATOM 552 CB GLU 66 -1.172 -12.981 5.155 1.00 0.00 ATOM 553 CG GLU 66 -1.333 -12.499 3.723 1.00 0.00 ATOM 554 CD GLU 66 -2.073 -11.179 3.632 1.00 0.00 ATOM 555 OE1 GLU 66 -2.262 -10.530 4.681 1.00 0.00 ATOM 556 OE2 GLU 66 -2.466 -10.795 2.510 1.00 0.00 ATOM 557 O GLU 66 -4.140 -14.219 4.351 1.00 0.00 ATOM 558 C GLU 66 -3.131 -14.458 4.988 1.00 0.00 ATOM 559 N LEU 67 -2.557 -15.641 4.979 1.00 0.00 ATOM 560 CA LEU 67 -3.125 -16.739 4.215 1.00 0.00 ATOM 561 CB LEU 67 -2.206 -17.962 4.258 1.00 0.00 ATOM 562 CG LEU 67 -0.865 -17.827 3.533 1.00 0.00 ATOM 563 CD1 LEU 67 0.017 -19.036 3.805 1.00 0.00 ATOM 564 CD2 LEU 67 -1.075 -17.720 2.030 1.00 0.00 ATOM 565 O LEU 67 -5.446 -17.280 3.933 1.00 0.00 ATOM 566 C LEU 67 -4.525 -17.079 4.724 1.00 0.00 ATOM 567 N LEU 68 -4.695 -17.167 6.064 1.00 0.00 ATOM 568 CA LEU 68 -5.990 -17.488 6.648 1.00 0.00 ATOM 569 CB LEU 68 -5.898 -17.569 8.172 1.00 0.00 ATOM 570 CG LEU 68 -5.063 -18.717 8.742 1.00 0.00 ATOM 571 CD1 LEU 68 -4.909 -18.574 10.249 1.00 0.00 ATOM 572 CD2 LEU 68 -5.725 -20.056 8.457 1.00 0.00 ATOM 573 O LEU 68 -8.215 -16.823 6.049 1.00 0.00 ATOM 574 C LEU 68 -7.053 -16.454 6.289 1.00 0.00 ATOM 575 N ALA 69 -6.684 -15.173 6.360 1.00 0.00 ATOM 576 CA ALA 69 -7.687 -14.110 6.124 1.00 0.00 ATOM 577 CB ALA 69 -7.026 -12.749 6.280 1.00 0.00 ATOM 578 O ALA 69 -9.459 -14.051 4.518 1.00 0.00 ATOM 579 C ALA 69 -8.259 -14.210 4.714 1.00 0.00 ATOM 580 N GLN 70 -7.396 -14.483 3.759 1.00 0.00 ATOM 581 CA GLN 70 -7.824 -14.589 2.368 1.00 0.00 ATOM 582 CB GLN 70 -6.631 -14.794 1.431 1.00 0.00 ATOM 583 CG GLN 70 -5.772 -13.555 1.242 1.00 0.00 ATOM 584 CD GLN 70 -4.539 -13.824 0.400 1.00 0.00 ATOM 585 OE1 GLN 70 -4.270 -14.964 0.024 1.00 0.00 ATOM 586 NE2 GLN 70 -3.787 -12.771 0.104 1.00 0.00 ATOM 587 O GLN 70 -9.824 -15.677 1.583 1.00 0.00 ATOM 588 C GLN 70 -8.770 -15.775 2.215 1.00 0.00 ATOM 589 N GLU 71 -8.387 -16.898 2.788 1.00 0.00 ATOM 590 CA GLU 71 -9.208 -18.101 2.668 1.00 0.00 ATOM 591 CB GLU 71 -8.474 -19.319 3.233 1.00 0.00 ATOM 592 CG GLU 71 -7.258 -19.740 2.424 1.00 0.00 ATOM 593 CD GLU 71 -6.504 -20.891 3.061 1.00 0.00 ATOM 594 OE1 GLU 71 -6.897 -21.319 4.167 1.00 0.00 ATOM 595 OE2 GLU 71 -5.519 -21.365 2.456 1.00 0.00 ATOM 596 O GLU 71 -11.533 -18.574 2.871 1.00 0.00 ATOM 597 C GLU 71 -10.547 -18.021 3.370 1.00 0.00 ATOM 598 N LEU 72 -10.631 -17.345 4.511 1.00 0.00 ATOM 599 CA LEU 72 -11.948 -17.098 5.173 1.00 0.00 ATOM 600 CB LEU 72 -11.759 -16.282 6.454 1.00 0.00 ATOM 601 CG LEU 72 -11.064 -16.996 7.615 1.00 0.00 ATOM 602 CD1 LEU 72 -10.780 -16.024 8.750 1.00 0.00 ATOM 603 CD2 LEU 72 -11.938 -18.117 8.158 1.00 0.00 ATOM 604 O LEU 72 -14.035 -16.637 4.008 1.00 0.00 ATOM 605 C LEU 72 -12.870 -16.309 4.199 1.00 0.00 ATOM 606 N SER 73 -12.303 -15.310 3.540 1.00 0.00 ATOM 607 CA SER 73 -13.096 -14.521 2.562 1.00 0.00 ATOM 608 CB SER 73 -12.254 -13.384 1.982 1.00 0.00 ATOM 609 OG SER 73 -11.938 -12.426 2.977 1.00 0.00 ATOM 610 O SER 73 -14.739 -15.353 1.030 1.00 0.00 ATOM 611 C SER 73 -13.573 -15.401 1.419 1.00 0.00 ATOM 612 N GLN 74 -12.677 -16.218 0.891 1.00 0.00 ATOM 613 CA GLN 74 -13.017 -17.110 -0.197 1.00 0.00 ATOM 614 CB GLN 74 -11.770 -17.837 -0.703 1.00 0.00 ATOM 615 CG GLN 74 -10.786 -16.943 -1.440 1.00 0.00 ATOM 616 CD GLN 74 -9.514 -17.671 -1.826 1.00 0.00 ATOM 617 OE1 GLN 74 -9.317 -18.832 -1.466 1.00 0.00 ATOM 618 NE2 GLN 74 -8.643 -16.989 -2.562 1.00 0.00 ATOM 619 O GLN 74 -15.021 -18.375 -0.530 1.00 0.00 ATOM 620 C GLN 74 -14.075 -18.126 0.213 1.00 0.00 ATOM 621 N GLU 75 -13.903 -18.744 1.396 1.00 0.00 ATOM 622 CA GLU 75 -14.859 -19.728 1.897 1.00 0.00 ATOM 623 CB GLU 75 -14.373 -20.349 3.208 1.00 0.00 ATOM 624 CG GLU 75 -13.164 -21.255 3.055 1.00 0.00 ATOM 625 CD GLU 75 -12.637 -21.753 4.386 1.00 0.00 ATOM 626 OE1 GLU 75 -13.171 -21.334 5.432 1.00 0.00 ATOM 627 OE2 GLU 75 -11.687 -22.565 4.382 1.00 0.00 ATOM 628 O GLU 75 -17.231 -19.685 1.857 1.00 0.00 ATOM 629 C GLU 75 -16.216 -19.097 2.148 1.00 0.00 ATOM 630 N LYS 76 -16.244 -17.894 2.704 1.00 0.00 ATOM 631 CA LYS 76 -17.530 -17.193 2.825 1.00 0.00 ATOM 632 CB LYS 76 -17.338 -15.830 3.491 1.00 0.00 ATOM 633 CG LYS 76 -16.989 -15.904 4.969 1.00 0.00 ATOM 634 CD LYS 76 -16.814 -14.517 5.566 1.00 0.00 ATOM 635 CE LYS 76 -16.440 -14.593 7.038 1.00 0.00 ATOM 636 NZ LYS 76 -16.233 -13.242 7.627 1.00 0.00 ATOM 637 O LYS 76 -19.373 -17.181 1.286 1.00 0.00 ATOM 638 C LYS 76 -18.171 -16.964 1.439 1.00 0.00 ATOM 639 N LEU 77 -17.388 -16.537 0.472 1.00 0.00 ATOM 640 CA LEU 77 -17.918 -16.280 -0.865 1.00 0.00 ATOM 641 CB LEU 77 -16.888 -15.534 -1.715 1.00 0.00 ATOM 642 CG LEU 77 -16.511 -14.127 -1.242 1.00 0.00 ATOM 643 CD1 LEU 77 -15.397 -13.552 -2.104 1.00 0.00 ATOM 644 CD2 LEU 77 -17.709 -13.193 -1.326 1.00 0.00 ATOM 645 O LEU 77 -17.706 -18.630 -1.350 1.00 0.00 ATOM 646 C LEU 77 -18.275 -17.565 -1.604 1.00 0.00 ATOM 647 N ALA 78 -19.262 -17.460 -2.483 1.00 0.00 ATOM 648 CA ALA 78 -19.722 -18.589 -3.267 1.00 0.00 ATOM 649 CB ALA 78 -21.092 -18.299 -3.862 1.00 0.00 ATOM 650 O ALA 78 -17.703 -18.249 -4.534 1.00 0.00 ATOM 651 C ALA 78 -18.737 -18.908 -4.394 1.00 0.00 ATOM 652 N ARG 79 -19.069 -19.905 -5.205 1.00 0.00 ATOM 653 CA ARG 79 -18.211 -20.339 -6.309 1.00 0.00 ATOM 654 CB ARG 79 -18.797 -21.514 -7.039 1.00 0.00 ATOM 655 CG ARG 79 -19.021 -22.746 -6.175 1.00 0.00 ATOM 656 CD ARG 79 -17.718 -23.276 -5.601 1.00 0.00 ATOM 657 NE ARG 79 -17.931 -24.492 -4.820 1.00 0.00 ATOM 658 CZ ARG 79 -16.972 -25.140 -4.168 1.00 0.00 ATOM 659 NH1 ARG 79 -15.723 -24.692 -4.199 1.00 0.00 ATOM 660 NH2 ARG 79 -17.260 -26.239 -3.483 1.00 0.00 ATOM 661 O ARG 79 -16.905 -18.956 -7.771 1.00 0.00 ATOM 662 C ARG 79 -18.020 -19.219 -7.317 1.00 0.00 ATOM 663 N LYS 80 -19.134 -18.566 -7.681 1.00 0.00 ATOM 664 CA LYS 80 -19.082 -17.472 -8.637 1.00 0.00 ATOM 665 CB LYS 80 -20.482 -16.917 -8.901 1.00 0.00 ATOM 666 CG LYS 80 -21.369 -17.835 -9.728 1.00 0.00 ATOM 667 CD LYS 80 -22.741 -17.223 -9.951 1.00 0.00 ATOM 668 CE LYS 80 -23.635 -18.151 -10.758 1.00 0.00 ATOM 669 NZ LYS 80 -24.995 -17.578 -10.957 1.00 0.00 ATOM 670 O LYS 80 -17.439 -15.732 -8.805 1.00 0.00 ATOM 671 C LYS 80 -18.230 -16.328 -8.073 1.00 0.00 ATOM 672 N GLN 81 -18.393 -16.032 -6.781 1.00 0.00 ATOM 673 CA GLN 81 -17.623 -14.972 -6.135 1.00 0.00 ATOM 674 CB GLN 81 -18.030 -14.833 -4.668 1.00 0.00 ATOM 675 CG GLN 81 -19.441 -14.301 -4.461 1.00 0.00 ATOM 676 CD GLN 81 -19.625 -12.907 -5.025 1.00 0.00 ATOM 677 OE1 GLN 81 -18.782 -12.031 -4.829 1.00 0.00 ATOM 678 NE2 GLN 81 -20.731 -12.697 -5.730 1.00 0.00 ATOM 679 O GLN 81 -15.310 -14.446 -6.492 1.00 0.00 ATOM 680 C GLN 81 -16.135 -15.311 -6.204 1.00 0.00 ATOM 681 N LEU 82 -15.778 -16.572 -5.923 1.00 0.00 ATOM 682 CA LEU 82 -14.381 -17.002 -5.922 1.00 0.00 ATOM 683 CB LEU 82 -14.256 -18.419 -5.359 1.00 0.00 ATOM 684 CG LEU 82 -12.840 -18.992 -5.271 1.00 0.00 ATOM 685 CD1 LEU 82 -11.970 -18.135 -4.363 1.00 0.00 ATOM 686 CD2 LEU 82 -12.865 -20.405 -4.710 1.00 0.00 ATOM 687 O LEU 82 -12.681 -16.458 -7.525 1.00 0.00 ATOM 688 C LEU 82 -13.791 -16.953 -7.333 1.00 0.00 ATOM 689 N GLU 83 -14.520 -17.442 -8.334 1.00 0.00 ATOM 690 CA GLU 83 -13.988 -17.409 -9.689 1.00 0.00 ATOM 691 CB GLU 83 -14.927 -18.134 -10.655 1.00 0.00 ATOM 692 CG GLU 83 -14.971 -19.641 -10.466 1.00 0.00 ATOM 693 CD GLU 83 -16.001 -20.311 -11.354 1.00 0.00 ATOM 694 OE1 GLU 83 -16.731 -19.589 -12.065 1.00 0.00 ATOM 695 OE2 GLU 83 -16.078 -21.558 -11.339 1.00 0.00 ATOM 696 O GLU 83 -12.834 -15.673 -10.833 1.00 0.00 ATOM 697 C GLU 83 -13.810 -15.980 -10.180 1.00 0.00 ATOM 698 N GLU 84 -14.761 -15.094 -9.856 1.00 0.00 ATOM 699 CA GLU 84 -14.664 -13.680 -10.224 1.00 0.00 ATOM 700 CB GLU 84 -15.942 -12.936 -9.830 1.00 0.00 ATOM 701 CG GLU 84 -17.156 -13.304 -10.669 1.00 0.00 ATOM 702 CD GLU 84 -18.428 -12.644 -10.173 1.00 0.00 ATOM 703 OE1 GLU 84 -18.374 -11.958 -9.132 1.00 0.00 ATOM 704 OE2 GLU 84 -19.478 -12.812 -10.828 1.00 0.00 ATOM 705 O GLU 84 -12.727 -12.273 -10.116 1.00 0.00 ATOM 706 C GLU 84 -13.470 -13.049 -9.518 1.00 0.00 ATOM 707 N LEU 85 -13.302 -13.360 -8.240 1.00 0.00 ATOM 708 CA LEU 85 -12.179 -12.827 -7.472 1.00 0.00 ATOM 709 CB LEU 85 -12.236 -13.351 -6.036 1.00 0.00 ATOM 710 CG LEU 85 -11.107 -12.904 -5.105 1.00 0.00 ATOM 711 CD1 LEU 85 -11.105 -11.390 -4.952 1.00 0.00 ATOM 712 CD2 LEU 85 -11.272 -13.521 -3.725 1.00 0.00 ATOM 713 O LEU 85 -9.901 -12.501 -8.110 1.00 0.00 ATOM 714 C LEU 85 -10.858 -13.267 -8.084 1.00 0.00 ATOM 715 N ASN 86 -10.812 -14.497 -8.598 1.00 0.00 ATOM 716 CA ASN 86 -9.596 -15.039 -9.193 1.00 0.00 ATOM 717 CB ASN 86 -9.750 -16.539 -9.452 1.00 0.00 ATOM 718 CG ASN 86 -9.727 -17.356 -8.176 1.00 0.00 ATOM 719 ND2 ASN 86 -10.266 -18.568 -8.242 1.00 0.00 ATOM 720 OD1 ASN 86 -9.229 -16.901 -7.147 1.00 0.00 ATOM 721 O ASN 86 -8.113 -13.978 -10.749 1.00 0.00 ATOM 722 C ASN 86 -9.259 -14.366 -10.526 1.00 0.00 ATOM 723 N LYS 87 -10.246 -14.243 -11.411 1.00 0.00 ATOM 724 CA LYS 87 -10.085 -13.486 -12.642 1.00 0.00 ATOM 725 CB LYS 87 -11.399 -13.453 -13.427 1.00 0.00 ATOM 726 CG LYS 87 -11.788 -14.789 -14.039 1.00 0.00 ATOM 727 CD LYS 87 -13.098 -14.684 -14.804 1.00 0.00 ATOM 728 CE LYS 87 -13.500 -16.025 -15.396 1.00 0.00 ATOM 729 NZ LYS 87 -14.798 -15.945 -16.119 1.00 0.00 ATOM 730 O LYS 87 -8.768 -11.502 -13.000 1.00 0.00 ATOM 731 C LYS 87 -9.667 -12.034 -12.348 1.00 0.00 ATOM 732 N THR 88 -10.278 -11.428 -11.365 1.00 0.00 ATOM 733 CA THR 88 -9.932 -10.066 -10.933 1.00 0.00 ATOM 734 CB THR 88 -10.904 -9.553 -9.855 1.00 0.00 ATOM 735 CG2 THR 88 -10.504 -8.159 -9.397 1.00 0.00 ATOM 736 OG1 THR 88 -12.232 -9.499 -10.391 1.00 0.00 ATOM 737 O THR 88 -7.736 -9.153 -10.675 1.00 0.00 ATOM 738 C THR 88 -8.510 -10.046 -10.360 1.00 0.00 ATOM 739 N LEU 89 -8.151 -11.022 -9.562 1.00 0.00 ATOM 740 CA LEU 89 -6.811 -11.140 -8.996 1.00 0.00 ATOM 741 CB LEU 89 -6.735 -12.336 -8.046 1.00 0.00 ATOM 742 CG LEU 89 -5.390 -12.567 -7.354 1.00 0.00 ATOM 743 CD1 LEU 89 -5.023 -11.375 -6.482 1.00 0.00 ATOM 744 CD2 LEU 89 -5.447 -13.802 -6.467 1.00 0.00 ATOM 745 O LEU 89 -4.688 -10.723 -10.078 1.00 0.00 ATOM 746 C LEU 89 -5.758 -11.336 -10.106 1.00 0.00 ATOM 747 N GLY 90 -6.098 -12.147 -11.097 1.00 0.00 ATOM 748 CA GLY 90 -5.192 -12.390 -12.207 1.00 0.00 ATOM 749 O GLY 90 -3.730 -10.877 -13.389 1.00 0.00 ATOM 750 C GLY 90 -4.875 -11.116 -12.989 1.00 0.00 ATOM 751 N ASN 91 -5.878 -10.255 -13.196 1.00 0.00 ATOM 752 CA ASN 91 -5.704 -8.991 -13.904 1.00 0.00 ATOM 753 CB ASN 91 -7.025 -8.235 -14.063 1.00 0.00 ATOM 754 CG ASN 91 -7.922 -8.846 -15.122 1.00 0.00 ATOM 755 ND2 ASN 91 -9.212 -8.534 -15.054 1.00 0.00 ATOM 756 OD1 ASN 91 -7.460 -9.587 -15.987 1.00 0.00 ATOM 757 O ASN 91 -3.873 -7.469 -13.711 1.00 0.00 ATOM 758 C ASN 91 -4.744 -8.104 -13.128 1.00 0.00 ATOM 759 N GLU 92 -4.908 -8.046 -11.811 1.00 0.00 ATOM 760 CA GLU 92 -4.032 -7.219 -10.991 1.00 0.00 ATOM 761 CB GLU 92 -4.520 -7.197 -9.541 1.00 0.00 ATOM 762 CG GLU 92 -5.824 -6.442 -9.337 1.00 0.00 ATOM 763 CD GLU 92 -6.339 -6.547 -7.914 1.00 0.00 ATOM 764 OE1 GLU 92 -5.717 -7.269 -7.107 1.00 0.00 ATOM 765 OE2 GLU 92 -7.367 -5.906 -7.607 1.00 0.00 ATOM 766 O GLU 92 -1.654 -6.939 -11.134 1.00 0.00 ATOM 767 C GLU 92 -2.597 -7.726 -11.041 1.00 0.00 ATOM 768 N LEU 93 -2.440 -9.028 -10.956 1.00 0.00 ATOM 769 CA LEU 93 -1.109 -9.614 -10.993 1.00 0.00 ATOM 770 CB LEU 93 -1.137 -11.119 -10.726 1.00 0.00 ATOM 771 CG LEU 93 -1.572 -11.552 -9.324 1.00 0.00 ATOM 772 CD1 LEU 93 -1.703 -13.064 -9.245 1.00 0.00 ATOM 773 CD2 LEU 93 -0.557 -11.106 -8.284 1.00 0.00 ATOM 774 O LEU 93 0.714 -9.183 -12.479 1.00 0.00 ATOM 775 C LEU 93 -0.488 -9.343 -12.371 1.00 0.00 ATOM 776 N SER 94 -1.300 -9.400 -13.427 1.00 0.00 ATOM 777 CA SER 94 -0.739 -9.140 -14.743 1.00 0.00 ATOM 778 CB SER 94 -1.754 -9.387 -15.861 1.00 0.00 ATOM 779 OG SER 94 -2.129 -10.752 -15.916 1.00 0.00 ATOM 780 O SER 94 0.696 -7.447 -15.601 1.00 0.00 ATOM 781 C SER 94 -0.245 -7.708 -14.860 1.00 0.00 ATOM 782 N ASP 95 -0.914 -6.778 -14.181 1.00 0.00 ATOM 783 CA ASP 95 -0.488 -5.377 -14.196 1.00 0.00 ATOM 784 CB ASP 95 -1.506 -4.501 -13.463 1.00 0.00 ATOM 785 CG ASP 95 -2.790 -4.317 -14.251 1.00 0.00 ATOM 786 OD1 ASP 95 -2.802 -4.656 -15.452 1.00 0.00 ATOM 787 OD2 ASP 95 -3.783 -3.835 -13.666 1.00 0.00 ATOM 788 O ASP 95 1.745 -4.591 -13.920 1.00 0.00 ATOM 789 C ASP 95 0.842 -5.309 -13.471 1.00 0.00 ATOM 790 N ILE 96 0.958 -5.975 -12.372 1.00 0.00 ATOM 791 CA ILE 96 2.249 -6.048 -11.683 1.00 0.00 ATOM 792 CB ILE 96 2.117 -6.832 -10.356 1.00 0.00 ATOM 793 CG1 ILE 96 1.169 -6.104 -9.403 1.00 0.00 ATOM 794 CG2 ILE 96 3.496 -6.977 -9.702 1.00 0.00 ATOM 795 CD1 ILE 96 0.894 -6.871 -8.118 1.00 0.00 ATOM 796 O ILE 96 4.452 -6.259 -12.573 1.00 0.00 ATOM 797 C ILE 96 3.302 -6.698 -12.554 1.00 0.00 ATOM 798 N LYS 97 2.924 -7.744 -13.288 1.00 0.00 ATOM 799 CA LYS 97 3.912 -8.388 -14.132 1.00 0.00 ATOM 800 CB LYS 97 3.292 -9.576 -14.873 1.00 0.00 ATOM 801 CG LYS 97 2.958 -10.760 -13.980 1.00 0.00 ATOM 802 CD LYS 97 2.350 -11.899 -14.780 1.00 0.00 ATOM 803 CE LYS 97 1.995 -13.074 -13.883 1.00 0.00 ATOM 804 NZ LYS 97 1.366 -14.185 -14.648 1.00 0.00 ATOM 805 O LYS 97 5.639 -7.438 -15.491 1.00 0.00 ATOM 806 C LYS 97 4.460 -7.409 -15.169 1.00 0.00 ATOM 807 N LEU 98 3.588 -6.601 -15.764 1.00 0.00 ATOM 808 CA LEU 98 4.052 -5.636 -16.751 1.00 0.00 ATOM 809 CB LEU 98 2.871 -4.858 -17.336 1.00 0.00 ATOM 810 CG LEU 98 1.921 -5.648 -18.239 1.00 0.00 ATOM 811 CD1 LEU 98 0.703 -4.811 -18.601 1.00 0.00 ATOM 812 CD2 LEU 98 2.617 -6.056 -19.528 1.00 0.00 ATOM 813 O LEU 98 6.053 -4.321 -16.708 1.00 0.00 ATOM 814 C LEU 98 5.019 -4.656 -16.107 1.00 0.00 ATOM 815 N SER 99 4.679 -4.170 -14.905 1.00 0.00 ATOM 816 CA SER 99 5.556 -3.255 -14.191 1.00 0.00 ATOM 817 CB SER 99 4.880 -2.748 -12.911 1.00 0.00 ATOM 818 OG SER 99 3.735 -1.964 -13.227 1.00 0.00 ATOM 819 O SER 99 7.937 -3.204 -13.972 1.00 0.00 ATOM 820 C SER 99 6.917 -3.880 -13.919 1.00 0.00 ATOM 821 N LEU 100 6.927 -5.175 -13.618 1.00 0.00 ATOM 822 CA LEU 100 8.182 -5.850 -13.319 1.00 0.00 ATOM 823 CB LEU 100 7.919 -7.259 -12.786 1.00 0.00 ATOM 824 CG LEU 100 9.150 -8.081 -12.400 1.00 0.00 ATOM 825 CD1 LEU 100 9.934 -7.389 -11.294 1.00 0.00 ATOM 826 CD2 LEU 100 8.745 -9.459 -11.903 1.00 0.00 ATOM 827 O LEU 100 10.278 -5.877 -14.481 1.00 0.00 ATOM 828 C LEU 100 9.047 -5.970 -14.554 1.00 0.00 ATOM 829 N LEU 101 8.398 -6.189 -15.694 1.00 0.00 ATOM 830 CA LEU 101 9.115 -6.304 -16.966 1.00 0.00 ATOM 831 CB LEU 101 8.158 -6.722 -18.084 1.00 0.00 ATOM 832 CG LEU 101 7.606 -8.148 -18.006 1.00 0.00 ATOM 833 CD1 LEU 101 6.539 -8.370 -19.067 1.00 0.00 ATOM 834 CD2 LEU 101 8.715 -9.166 -18.227 1.00 0.00 ATOM 835 O LEU 101 10.892 -4.921 -17.777 1.00 0.00 ATOM 836 C LEU 101 9.742 -4.967 -17.337 1.00 0.00 ATOM 837 N SER 102 8.937 -3.866 -17.050 1.00 0.00 ATOM 838 CA SER 102 9.463 -2.524 -17.262 1.00 0.00 ATOM 839 CB SER 102 8.385 -1.476 -16.977 1.00 0.00 ATOM 840 OG SER 102 7.327 -1.564 -17.914 1.00 0.00 ATOM 841 O SER 102 11.721 -1.770 -16.746 1.00 0.00 ATOM 842 C SER 102 10.676 -2.299 -16.370 1.00 0.00 ATOM 843 N LEU 103 10.562 -2.701 -15.076 1.00 0.00 ATOM 844 CA LEU 103 11.651 -2.558 -14.106 1.00 0.00 ATOM 845 CB LEU 103 11.166 -2.969 -12.702 1.00 0.00 ATOM 846 CG LEU 103 10.253 -1.975 -11.995 1.00 0.00 ATOM 847 CD1 LEU 103 9.638 -2.594 -10.742 1.00 0.00 ATOM 848 CD2 LEU 103 10.999 -0.685 -11.641 1.00 0.00 ATOM 849 O LEU 103 13.997 -2.946 -14.370 1.00 0.00 ATOM 850 C LEU 103 12.848 -3.399 -14.491 1.00 0.00 ATOM 851 N LYS 104 12.599 -4.614 -14.990 1.00 0.00 ATOM 852 CA LYS 104 13.711 -5.465 -15.403 1.00 0.00 ATOM 853 CB LYS 104 13.200 -6.831 -15.865 1.00 0.00 ATOM 854 CG LYS 104 14.297 -7.790 -16.297 1.00 0.00 ATOM 855 CD LYS 104 13.728 -9.148 -16.675 1.00 0.00 ATOM 856 CE LYS 104 14.819 -10.091 -17.153 1.00 0.00 ATOM 857 NZ LYS 104 14.272 -11.418 -17.551 1.00 0.00 ATOM 858 O LYS 104 15.722 -4.750 -16.530 1.00 0.00 ATOM 859 C LYS 104 14.495 -4.837 -16.560 1.00 0.00 ATOM 860 N GLY 105 13.798 -4.388 -17.589 1.00 0.00 ATOM 861 CA GLY 105 14.501 -3.813 -18.724 1.00 0.00 ATOM 862 O GLY 105 16.387 -2.346 -18.611 1.00 0.00 ATOM 863 C GLY 105 15.226 -2.565 -18.257 1.00 0.00 ATOM 864 N ASP 106 14.564 -1.775 -17.451 1.00 0.00 ATOM 865 CA ASP 106 15.150 -0.545 -16.930 1.00 0.00 ATOM 866 CB ASP 106 14.051 0.348 -16.351 1.00 0.00 ATOM 867 CG ASP 106 13.167 0.954 -17.423 1.00 0.00 ATOM 868 OD1 ASP 106 13.561 0.919 -18.609 1.00 0.00 ATOM 869 OD2 ASP 106 12.080 1.463 -17.080 1.00 0.00 ATOM 870 O ASP 106 16.778 0.188 -15.333 1.00 0.00 ATOM 871 C ASP 106 16.177 -0.755 -15.813 1.00 0.00 ATOM 872 N TYR 107 16.357 -2.012 -15.393 1.00 0.00 ATOM 873 CA TYR 107 17.307 -2.392 -14.346 1.00 0.00 ATOM 874 CB TYR 107 18.730 -1.995 -14.744 1.00 0.00 ATOM 875 CG TYR 107 19.179 -2.573 -16.068 1.00 0.00 ATOM 876 CD1 TYR 107 19.255 -1.774 -17.203 1.00 0.00 ATOM 877 CD2 TYR 107 19.526 -3.912 -16.179 1.00 0.00 ATOM 878 CE1 TYR 107 19.663 -2.292 -18.417 1.00 0.00 ATOM 879 CE2 TYR 107 19.936 -4.449 -17.385 1.00 0.00 ATOM 880 CZ TYR 107 20.004 -3.625 -18.508 1.00 0.00 ATOM 881 OH TYR 107 20.411 -4.143 -19.716 1.00 0.00 ATOM 882 O TYR 107 17.927 -1.551 -12.184 1.00 0.00 ATOM 883 C TYR 107 17.022 -1.712 -12.993 1.00 0.00 ATOM 884 N ALA 108 15.764 -1.315 -12.767 1.00 0.00 ATOM 885 CA ALA 108 15.455 -0.572 -11.542 1.00 0.00 ATOM 886 CB ALA 108 14.038 -0.021 -11.596 1.00 0.00 ATOM 887 O ALA 108 16.111 -1.132 -9.311 1.00 0.00 ATOM 888 C ALA 108 15.616 -1.529 -10.361 1.00 0.00 ATOM 889 N GLU 109 15.194 -2.768 -10.552 1.00 0.00 ATOM 890 CA GLU 109 15.261 -3.773 -9.492 1.00 0.00 ATOM 891 CB GLU 109 14.895 -5.237 -10.337 1.00 0.00 ATOM 892 CG GLU 109 14.329 -6.472 -9.612 1.00 0.00 ATOM 893 CD GLU 109 12.780 -6.554 -9.623 1.00 0.00 ATOM 894 OE1 GLU 109 12.103 -5.653 -10.256 1.00 0.00 ATOM 895 OE2 GLU 109 12.272 -7.512 -8.979 1.00 0.00 ATOM 896 O GLU 109 16.987 -4.475 -7.984 1.00 0.00 ATOM 897 C GLU 109 16.698 -4.161 -9.136 1.00 0.00 ATOM 898 N LEU 110 17.607 -4.184 -10.105 1.00 0.00 ATOM 899 CA LEU 110 18.992 -4.582 -9.870 1.00 0.00 ATOM 900 CB LEU 110 19.803 -4.488 -11.164 1.00 0.00 ATOM 901 CG LEU 110 21.284 -4.861 -11.064 1.00 0.00 ATOM 902 CD1 LEU 110 21.444 -6.311 -10.635 1.00 0.00 ATOM 903 CD2 LEU 110 21.974 -4.684 -12.409 1.00 0.00 ATOM 904 O LEU 110 20.424 -4.163 -7.993 1.00 0.00 ATOM 905 C LEU 110 19.689 -3.680 -8.855 1.00 0.00 ATOM 906 N GLU 111 19.449 -2.377 -8.955 1.00 0.00 ATOM 907 CA GLU 111 20.066 -1.442 -8.027 1.00 0.00 ATOM 908 CB GLU 111 19.720 -0.002 -8.393 1.00 0.00 ATOM 909 CG GLU 111 20.398 0.508 -9.663 1.00 0.00 ATOM 910 CD GLU 111 21.900 0.699 -9.499 1.00 0.00 ATOM 911 OE1 GLU 111 22.410 0.488 -8.378 1.00 0.00 ATOM 912 OE2 GLU 111 22.569 1.064 -10.490 1.00 0.00 ATOM 913 O GLU 111 20.381 -1.703 -5.664 1.00 0.00 ATOM 914 C GLU 111 19.596 -1.713 -6.608 1.00 0.00 ATOM 915 N HIS 112 18.300 -1.928 -6.456 1.00 0.00 ATOM 916 CA HIS 112 17.735 -2.164 -5.139 1.00 0.00 ATOM 917 CB HIS 112 16.208 -2.188 -5.206 1.00 0.00 ATOM 918 CG HIS 112 15.593 -0.850 -5.474 1.00 0.00 ATOM 919 CD2 HIS 112 14.812 -0.263 -6.552 1.00 0.00 ATOM 920 ND1 HIS 112 15.690 0.204 -4.590 1.00 0.00 ATOM 921 CE1 HIS 112 15.043 1.265 -5.104 1.00 0.00 ATOM 922 NE2 HIS 112 14.513 0.993 -6.280 1.00 0.00 ATOM 923 O HIS 112 18.425 -3.579 -3.312 1.00 0.00 ATOM 924 C HIS 112 18.190 -3.478 -4.520 1.00 0.00 ATOM 925 N HIS 113 18.328 -4.527 -5.342 1.00 0.00 ATOM 926 CA HIS 113 18.894 -5.779 -4.864 1.00 0.00 ATOM 927 CB HIS 113 18.905 -6.827 -5.977 1.00 0.00 ATOM 928 CG HIS 113 17.546 -7.342 -6.337 1.00 0.00 ATOM 929 CD2 HIS 113 16.703 -7.307 -7.523 1.00 0.00 ATOM 930 ND1 HIS 113 16.756 -8.041 -5.450 1.00 0.00 ATOM 931 CE1 HIS 113 15.601 -8.369 -6.056 1.00 0.00 ATOM 932 NE2 HIS 113 15.562 -7.932 -7.299 1.00 0.00 ATOM 933 O HIS 113 20.748 -6.106 -3.358 1.00 0.00 ATOM 934 C HIS 113 20.323 -5.560 -4.378 1.00 0.00 ATOM 935 N HIS 114 21.043 -4.759 -5.141 1.00 0.00 ATOM 936 CA HIS 114 22.425 -4.508 -4.771 1.00 0.00 ATOM 937 CB HIS 114 23.105 -3.617 -5.813 1.00 0.00 ATOM 938 CG HIS 114 24.538 -3.313 -5.504 1.00 0.00 ATOM 939 CD2 HIS 114 25.278 -2.143 -5.056 1.00 0.00 ATOM 940 ND1 HIS 114 25.540 -4.254 -5.615 1.00 0.00 ATOM 941 CE1 HIS 114 26.712 -3.687 -5.272 1.00 0.00 ATOM 942 NE2 HIS 114 26.562 -2.422 -4.937 1.00 0.00 ATOM 943 O HIS 114 23.286 -4.128 -2.567 1.00 0.00 ATOM 944 C HIS 114 22.459 -3.809 -3.417 1.00 0.00 ATOM 945 N HIS 115 21.623 -2.815 -3.254 1.00 0.00 ATOM 946 CA HIS 115 21.579 -2.081 -1.966 1.00 0.00 ATOM 947 CB HIS 115 20.488 -1.008 -1.998 1.00 0.00 ATOM 948 CG HIS 115 20.381 -0.218 -0.731 1.00 0.00 ATOM 949 CD2 HIS 115 19.431 -0.145 0.370 1.00 0.00 ATOM 950 ND1 HIS 115 21.322 0.714 -0.354 1.00 0.00 ATOM 951 CE1 HIS 115 20.956 1.256 0.822 1.00 0.00 ATOM 952 NE2 HIS 115 19.822 0.745 1.261 1.00 0.00 ATOM 953 O HIS 115 21.862 -2.972 0.253 1.00 0.00 ATOM 954 C HIS 115 21.270 -3.045 -0.828 1.00 0.00 ATOM 955 N HIS 116 20.325 -3.971 -1.052 1.00 0.00 ATOM 956 CA HIS 116 20.016 -4.966 -0.049 1.00 0.00 ATOM 957 CB HIS 116 18.876 -5.870 -0.525 1.00 0.00 ATOM 958 CG HIS 116 17.533 -5.208 -0.509 1.00 0.00 ATOM 959 CD2 HIS 116 16.545 -4.837 -1.511 1.00 0.00 ATOM 960 ND1 HIS 116 16.929 -4.777 0.653 1.00 0.00 ATOM 961 CE1 HIS 116 15.739 -4.228 0.351 1.00 0.00 ATOM 962 NE2 HIS 116 15.503 -4.259 -0.947 1.00 0.00 ATOM 963 O HIS 116 21.512 -6.169 1.421 1.00 0.00 ATOM 964 C HIS 116 21.220 -5.883 0.270 1.00 0.00 ATOM 965 N HIS 117 21.935 -6.377 -0.765 1.00 0.00 ATOM 966 CA HIS 117 23.087 -7.251 -0.501 1.00 0.00 ATOM 967 CB HIS 117 23.648 -7.796 -1.842 1.00 0.00 ATOM 968 CG HIS 117 25.007 -8.411 -1.708 1.00 0.00 ATOM 969 CD2 HIS 117 25.392 -9.677 -1.413 1.00 0.00 ATOM 970 ND1 HIS 117 26.174 -7.689 -1.889 1.00 0.00 ATOM 971 CE1 HIS 117 27.216 -8.479 -1.689 1.00 0.00 ATOM 972 NE2 HIS 117 26.770 -9.691 -1.395 1.00 0.00 ATOM 973 O HIS 117 24.782 -7.093 1.160 1.00 0.00 ATOM 974 C HIS 117 24.165 -6.512 0.275 1.00 0.00 TER END