PFRMAT TS TARGET T0304 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 Our results for this model were awful. We did not get initially get a METHOD model that included the strongly predicted helix for D56-T78. We METHOD ended up looking at server models that scored well with our METHOD unconstrained cost function, and searching for even more remote fold METHOD recognition models. We did not have the time to do real "ab initio" METHOD modeling of this target. METHOD METHOD Model 1 is try34-opt2 from try20-opt2 from alignment to 1ew0A. METHOD METHOD Model 2 is try24-opt2 from try13-opt2 from alignment to 1jzgA. METHOD METHOD Model 3 is try31-opt2 from alignment to 1i1qA. METHOD METHOD Model 4 is try32-opt2 from try11-opt2 from alignment to 1cuoA. METHOD METHOD Model 5 is try6-opt2, optimized from SP3_TS2. It not only has the METHOD long helix, but it scores best with our cost functions. METHOD REMARK 6 REMARK 6 T0304 model 5 Sun Jul 9 13:35:29 2006 MODEL 5 PARENT N/A ATOM 1 N MET 1 2.287 -10.074 7.593 1.00 0.00 ATOM 2 CA MET 1 0.901 -9.722 7.303 1.00 0.00 ATOM 3 CB MET 1 0.135 -10.910 6.753 1.00 0.00 ATOM 4 CG MET 1 -1.290 -10.576 6.308 1.00 0.00 ATOM 5 SD MET 1 -1.385 -9.363 4.963 1.00 0.00 ATOM 6 CE MET 1 -0.975 -10.396 3.571 1.00 0.00 ATOM 7 O MET 1 -0.639 -8.302 8.499 1.00 0.00 ATOM 8 C MET 1 0.189 -9.216 8.560 1.00 0.00 ATOM 9 N SER 2 0.504 -9.819 9.720 1.00 0.00 ATOM 10 CA SER 2 -0.112 -9.428 10.984 1.00 0.00 ATOM 11 CB SER 2 0.385 -10.343 12.100 1.00 0.00 ATOM 12 OG SER 2 -0.086 -11.654 11.953 1.00 0.00 ATOM 13 O SER 2 -0.678 -7.243 11.778 1.00 0.00 ATOM 14 C SER 2 0.193 -7.964 11.300 1.00 0.00 ATOM 15 N ASP 3 1.462 -7.556 11.026 1.00 0.00 ATOM 16 CA ASP 3 1.885 -6.217 11.297 1.00 0.00 ATOM 17 CB ASP 3 3.410 -6.130 11.424 1.00 0.00 ATOM 18 CG ASP 3 3.933 -6.870 12.638 1.00 0.00 ATOM 19 OD1 ASP 3 3.206 -6.942 13.650 1.00 0.00 ATOM 20 OD2 ASP 3 5.076 -7.366 12.587 1.00 0.00 ATOM 21 O ASP 3 1.588 -5.553 9.039 1.00 0.00 ATOM 22 C ASP 3 1.394 -5.307 10.228 1.00 0.00 ATOM 23 N THR 4 0.766 -4.196 10.649 1.00 0.00 ATOM 24 CA THR 4 0.254 -3.230 9.728 1.00 0.00 ATOM 25 CB THR 4 -1.245 -3.261 9.639 1.00 0.00 ATOM 26 CG2 THR 4 -1.700 -2.222 8.599 1.00 0.00 ATOM 27 OG1 THR 4 -1.680 -4.556 9.249 1.00 0.00 ATOM 28 O THR 4 0.204 -1.479 11.381 1.00 0.00 ATOM 29 C THR 4 0.551 -1.819 10.252 1.00 0.00 ATOM 30 N LEU 5 1.226 -1.064 9.426 1.00 0.00 ATOM 31 CA LEU 5 1.613 0.290 9.796 1.00 0.00 ATOM 32 CB LEU 5 3.156 0.460 9.735 1.00 0.00 ATOM 33 CG LEU 5 4.040 -0.573 10.438 1.00 0.00 ATOM 34 CD1 LEU 5 5.489 -0.115 10.332 1.00 0.00 ATOM 35 CD2 LEU 5 3.630 -0.733 11.898 1.00 0.00 ATOM 36 O LEU 5 1.012 1.257 7.717 1.00 0.00 ATOM 37 C LEU 5 0.904 1.293 8.941 1.00 0.00 ATOM 38 N PRO 6 0.115 2.144 9.540 1.00 0.00 ATOM 39 CA PRO 6 -0.584 3.117 8.744 1.00 0.00 ATOM 40 CB PRO 6 -1.749 3.606 9.598 1.00 0.00 ATOM 41 CG PRO 6 -2.034 2.415 10.528 1.00 0.00 ATOM 42 CD PRO 6 -0.675 1.714 10.681 1.00 0.00 ATOM 43 O PRO 6 1.313 4.534 9.101 1.00 0.00 ATOM 44 C PRO 6 0.420 4.182 8.325 1.00 0.00 ATOM 45 N GLY 7 0.226 4.679 7.141 1.00 0.00 ATOM 46 CA GLY 7 1.051 5.761 6.647 1.00 0.00 ATOM 47 O GLY 7 -0.626 6.273 5.055 1.00 0.00 ATOM 48 C GLY 7 0.303 6.684 5.744 1.00 0.00 ATOM 49 N THR 8 0.724 7.966 5.709 1.00 0.00 ATOM 50 CA THR 8 0.088 8.916 4.846 1.00 0.00 ATOM 51 CB THR 8 -0.843 9.863 5.656 1.00 0.00 ATOM 52 CG2 THR 8 -1.941 9.074 6.353 1.00 0.00 ATOM 53 OG1 THR 8 -0.054 10.556 6.632 1.00 0.00 ATOM 54 O THR 8 2.138 10.097 4.623 1.00 0.00 ATOM 55 C THR 8 1.109 9.689 4.082 1.00 0.00 ATOM 56 N THR 9 0.814 9.951 2.796 1.00 0.00 ATOM 57 CA THR 9 1.728 10.705 2.000 1.00 0.00 ATOM 58 CB THR 9 2.319 9.814 0.913 1.00 0.00 ATOM 59 CG2 THR 9 3.104 8.604 1.474 1.00 0.00 ATOM 60 OG1 THR 9 1.254 9.308 0.092 1.00 0.00 ATOM 61 O THR 9 -0.199 11.910 1.223 1.00 0.00 ATOM 62 C THR 9 1.035 11.887 1.326 1.00 0.00 ATOM 63 N LEU 10 1.862 12.755 0.750 1.00 0.00 ATOM 64 CA LEU 10 1.312 13.853 -0.025 1.00 0.00 ATOM 65 CB LEU 10 2.307 15.027 -0.002 1.00 0.00 ATOM 66 CG LEU 10 1.838 16.287 -0.750 1.00 0.00 ATOM 67 CD1 LEU 10 0.640 16.941 -0.049 1.00 0.00 ATOM 68 CD2 LEU 10 3.006 17.260 -0.982 1.00 0.00 ATOM 69 O LEU 10 2.129 12.856 -2.028 1.00 0.00 ATOM 70 C LEU 10 1.235 13.483 -1.465 1.00 0.00 ATOM 71 N PRO 11 0.160 13.871 -2.061 1.00 0.00 ATOM 72 CA PRO 11 -0.044 13.487 -3.422 1.00 0.00 ATOM 73 CB PRO 11 -1.473 13.891 -3.736 1.00 0.00 ATOM 74 CG PRO 11 -2.168 13.850 -2.361 1.00 0.00 ATOM 75 CD PRO 11 -1.050 14.172 -1.363 1.00 0.00 ATOM 76 O PRO 11 0.906 13.350 -5.536 1.00 0.00 ATOM 77 C PRO 11 0.940 13.923 -4.450 1.00 0.00 ATOM 78 N ASP 12 1.774 14.940 -4.170 1.00 0.00 ATOM 79 CA ASP 12 2.588 15.487 -5.216 1.00 0.00 ATOM 80 CB ASP 12 2.542 17.030 -5.125 1.00 0.00 ATOM 81 CG ASP 12 1.147 17.596 -5.191 1.00 0.00 ATOM 82 OD1 ASP 12 0.284 17.025 -5.907 1.00 0.00 ATOM 83 OD2 ASP 12 0.821 18.625 -4.577 1.00 0.00 ATOM 84 O ASP 12 4.668 14.639 -4.348 1.00 0.00 ATOM 85 C ASP 12 4.065 15.153 -5.300 1.00 0.00 ATOM 86 N ASP 13 4.762 15.598 -6.435 1.00 0.00 ATOM 87 CA ASP 13 6.132 15.296 -6.768 1.00 0.00 ATOM 88 CB ASP 13 6.408 15.252 -8.250 1.00 0.00 ATOM 89 CG ASP 13 6.041 16.535 -8.979 1.00 0.00 ATOM 90 OD1 ASP 13 5.941 17.593 -8.321 1.00 0.00 ATOM 91 OD2 ASP 13 5.869 16.486 -10.221 1.00 0.00 ATOM 92 O ASP 13 6.448 17.071 -5.221 1.00 0.00 ATOM 93 C ASP 13 6.961 16.325 -6.055 1.00 0.00 ATOM 94 N ASN 14 8.272 16.390 -6.361 1.00 0.00 ATOM 95 CA ASN 14 9.114 17.377 -5.743 1.00 0.00 ATOM 96 CB ASN 14 10.013 16.862 -4.605 1.00 0.00 ATOM 97 CG ASN 14 10.505 18.062 -3.802 1.00 0.00 ATOM 98 ND2 ASN 14 11.547 17.845 -2.955 1.00 0.00 ATOM 99 OD1 ASN 14 9.977 19.167 -3.933 1.00 0.00 ATOM 100 O ASN 14 10.135 17.313 -7.949 1.00 0.00 ATOM 101 C ASN 14 10.120 17.803 -6.807 1.00 0.00 ATOM 102 N HIS 15 10.971 18.798 -6.442 1.00 0.00 ATOM 103 CA HIS 15 11.826 19.387 -7.453 1.00 0.00 ATOM 104 CB HIS 15 12.738 20.480 -6.859 1.00 0.00 ATOM 105 CG HIS 15 12.025 21.761 -6.529 1.00 0.00 ATOM 106 CD2 HIS 15 11.411 22.159 -5.380 1.00 0.00 ATOM 107 ND1 HIS 15 11.878 22.809 -7.413 1.00 0.00 ATOM 108 CE1 HIS 15 11.191 23.780 -6.759 1.00 0.00 ATOM 109 NE2 HIS 15 10.886 23.432 -5.524 1.00 0.00 ATOM 110 O HIS 15 12.995 18.300 -9.206 1.00 0.00 ATOM 111 C HIS 15 12.702 18.310 -8.012 1.00 0.00 ATOM 112 N ASP 16 13.126 17.355 -7.167 1.00 0.00 ATOM 113 CA ASP 16 14.036 16.352 -7.636 1.00 0.00 ATOM 114 CB ASP 16 14.620 15.466 -6.522 1.00 0.00 ATOM 115 CG ASP 16 15.633 16.282 -5.732 1.00 0.00 ATOM 116 OD1 ASP 16 15.881 17.459 -6.109 1.00 0.00 ATOM 117 OD2 ASP 16 16.179 15.733 -4.739 1.00 0.00 ATOM 118 O ASP 16 12.239 15.805 -9.077 1.00 0.00 ATOM 119 C ASP 16 13.315 15.463 -8.593 1.00 0.00 ATOM 120 N ARG 17 13.925 14.297 -8.898 1.00 0.00 ATOM 121 CA ARG 17 13.395 13.382 -9.870 1.00 0.00 ATOM 122 CB ARG 17 14.109 12.018 -9.889 1.00 0.00 ATOM 123 CG ARG 17 15.597 12.114 -10.233 1.00 0.00 ATOM 124 CD ARG 17 16.304 10.759 -10.327 1.00 0.00 ATOM 125 NE ARG 17 16.176 10.086 -9.004 1.00 0.00 ATOM 126 CZ ARG 17 17.230 9.389 -8.486 1.00 0.00 ATOM 127 NH1 ARG 17 18.423 9.358 -9.146 1.00 0.00 ATOM 128 NH2 ARG 17 17.092 8.726 -7.302 1.00 0.00 ATOM 129 O ARG 17 11.561 13.122 -8.383 1.00 0.00 ATOM 130 C ARG 17 11.969 13.107 -9.543 1.00 0.00 ATOM 131 N PRO 18 11.200 12.863 -10.566 1.00 0.00 ATOM 132 CA PRO 18 9.796 12.648 -10.422 1.00 0.00 ATOM 133 CB PRO 18 9.325 12.400 -11.859 1.00 0.00 ATOM 134 CG PRO 18 10.300 13.196 -12.673 1.00 0.00 ATOM 135 CD PRO 18 11.613 12.897 -11.993 1.00 0.00 ATOM 136 O PRO 18 10.213 10.541 -9.463 1.00 0.00 ATOM 137 C PRO 18 9.491 11.537 -9.485 1.00 0.00 ATOM 138 N TRP 19 8.381 11.671 -8.657 1.00 0.00 ATOM 139 CA TRP 19 8.088 10.718 -7.635 1.00 0.00 ATOM 140 CB TRP 19 9.209 10.631 -6.583 1.00 0.00 ATOM 141 CG TRP 19 9.634 11.974 -6.036 1.00 0.00 ATOM 142 CD1 TRP 19 8.935 13.141 -5.958 1.00 0.00 ATOM 143 CD2 TRP 19 10.949 12.253 -5.528 1.00 0.00 ATOM 144 CE2 TRP 19 10.974 13.602 -5.170 1.00 0.00 ATOM 145 CE3 TRP 19 12.046 11.456 -5.380 1.00 0.00 ATOM 146 NE1 TRP 19 9.733 14.135 -5.439 1.00 0.00 ATOM 147 CZ2 TRP 19 12.104 14.176 -4.659 1.00 0.00 ATOM 148 CZ3 TRP 19 13.182 12.036 -4.857 1.00 0.00 ATOM 149 CH2 TRP 19 13.209 13.368 -4.504 1.00 0.00 ATOM 150 O TRP 19 6.464 12.354 -7.102 1.00 0.00 ATOM 151 C TRP 19 6.841 11.193 -6.967 1.00 0.00 ATOM 152 N TRP 20 6.142 10.294 -6.252 1.00 0.00 ATOM 153 CA TRP 20 4.937 10.704 -5.599 1.00 0.00 ATOM 154 CB TRP 20 3.692 10.031 -6.204 1.00 0.00 ATOM 155 CG TRP 20 3.475 10.283 -7.680 1.00 0.00 ATOM 156 CD1 TRP 20 3.749 9.445 -8.721 1.00 0.00 ATOM 157 CD2 TRP 20 2.917 11.475 -8.255 1.00 0.00 ATOM 158 CE2 TRP 20 2.876 11.285 -9.637 1.00 0.00 ATOM 159 CE3 TRP 20 2.481 12.638 -7.686 1.00 0.00 ATOM 160 NE1 TRP 20 3.385 10.033 -9.907 1.00 0.00 ATOM 161 CZ2 TRP 20 2.390 12.252 -10.468 1.00 0.00 ATOM 162 CZ3 TRP 20 1.988 13.611 -8.527 1.00 0.00 ATOM 163 CH2 TRP 20 1.945 13.420 -9.892 1.00 0.00 ATOM 164 O TRP 20 5.675 9.045 -4.058 1.00 0.00 ATOM 165 C TRP 20 5.012 10.067 -4.225 1.00 0.00 ATOM 166 N GLY 21 4.195 10.553 -3.357 1.00 0.00 ATOM 167 CA GLY 21 4.221 10.038 -1.997 1.00 0.00 ATOM 168 O GLY 21 6.546 9.950 -1.495 1.00 0.00 ATOM 169 C GLY 21 5.479 10.542 -1.367 1.00 0.00 ATOM 170 N LEU 22 5.020 11.938 -1.056 1.00 0.00 ATOM 171 CA LEU 22 5.927 12.703 -0.242 1.00 0.00 ATOM 172 CB LEU 22 6.147 14.099 -0.847 1.00 0.00 ATOM 173 CG LEU 22 6.619 14.069 -2.308 1.00 0.00 ATOM 174 CD1 LEU 22 6.913 15.489 -2.784 1.00 0.00 ATOM 175 CD2 LEU 22 7.862 13.198 -2.435 1.00 0.00 ATOM 176 O LEU 22 4.241 13.146 1.427 1.00 0.00 ATOM 177 C LEU 22 5.135 12.388 1.023 1.00 0.00 ATOM 178 N PRO 23 5.503 11.314 1.730 1.00 0.00 ATOM 179 CA PRO 23 4.739 10.949 2.928 1.00 0.00 ATOM 180 CB PRO 23 5.477 9.736 3.463 1.00 0.00 ATOM 181 CG PRO 23 6.082 9.112 2.273 1.00 0.00 ATOM 182 CD PRO 23 6.513 10.292 1.428 1.00 0.00 ATOM 183 O PRO 23 5.717 12.812 4.148 1.00 0.00 ATOM 184 C PRO 23 4.741 12.113 3.904 1.00 0.00 ATOM 185 N CYS 24 3.580 12.325 4.468 1.00 0.00 ATOM 186 CA CYS 24 3.330 13.392 5.424 1.00 0.00 ATOM 187 CB CYS 24 1.910 13.965 5.314 1.00 0.00 ATOM 188 SG CYS 24 1.650 14.905 3.783 1.00 0.00 ATOM 189 O CYS 24 3.976 13.622 7.734 1.00 0.00 ATOM 190 C CYS 24 3.419 12.926 6.879 1.00 0.00 ATOM 191 N THR 25 2.996 11.583 6.953 1.00 0.00 ATOM 192 CA THR 25 2.924 11.059 8.312 1.00 0.00 ATOM 193 CB THR 25 1.506 11.409 8.897 1.00 0.00 ATOM 194 CG2 THR 25 1.356 10.967 10.373 1.00 0.00 ATOM 195 OG1 THR 25 1.291 12.826 8.792 1.00 0.00 ATOM 196 O THR 25 2.751 8.902 7.329 1.00 0.00 ATOM 197 C THR 25 3.063 9.573 8.311 1.00 0.00 ATOM 198 N VAL 26 3.547 9.026 9.446 1.00 0.00 ATOM 199 CA VAL 26 3.691 7.607 9.590 1.00 0.00 ATOM 200 CB VAL 26 5.082 7.105 9.359 1.00 0.00 ATOM 201 CG1 VAL 26 5.998 7.694 10.440 1.00 0.00 ATOM 202 CG2 VAL 26 5.051 5.568 9.345 1.00 0.00 ATOM 203 O VAL 26 3.533 8.038 11.921 1.00 0.00 ATOM 204 C VAL 26 3.332 7.248 10.998 1.00 0.00 ATOM 205 N THR 27 2.788 6.029 11.197 1.00 0.00 ATOM 206 CA THR 27 2.399 5.615 12.515 1.00 0.00 ATOM 207 CB THR 27 1.476 4.432 12.532 1.00 0.00 ATOM 208 CG2 THR 27 0.213 4.794 11.731 1.00 0.00 ATOM 209 OG1 THR 27 2.112 3.291 11.975 1.00 0.00 ATOM 210 O THR 27 4.672 4.936 12.737 1.00 0.00 ATOM 211 C THR 27 3.617 5.232 13.294 1.00 0.00 ATOM 212 N PRO 28 3.461 5.258 14.590 1.00 0.00 ATOM 213 CA PRO 28 4.542 4.978 15.499 1.00 0.00 ATOM 214 CB PRO 28 3.997 5.307 16.888 1.00 0.00 ATOM 215 CG PRO 28 2.922 6.373 16.615 1.00 0.00 ATOM 216 CD PRO 28 2.420 6.051 15.199 1.00 0.00 ATOM 217 O PRO 28 6.244 3.376 15.719 1.00 0.00 ATOM 218 C PRO 28 5.100 3.588 15.332 1.00 0.00 ATOM 219 N CYS 29 4.293 2.619 14.828 1.00 0.00 ATOM 220 CA CYS 29 4.820 1.293 14.657 1.00 0.00 ATOM 221 CB CYS 29 3.850 0.359 14.028 1.00 0.00 ATOM 222 SG CYS 29 2.445 -0.060 15.107 1.00 0.00 ATOM 223 O CYS 29 6.889 0.456 13.819 1.00 0.00 ATOM 224 C CYS 29 6.035 1.324 13.749 1.00 0.00 ATOM 225 N PHE 30 6.043 2.486 12.891 1.00 0.00 ATOM 226 CA PHE 30 7.176 2.617 12.027 1.00 0.00 ATOM 227 CB PHE 30 6.954 4.049 11.504 1.00 0.00 ATOM 228 CG PHE 30 7.924 4.492 10.471 1.00 0.00 ATOM 229 CD1 PHE 30 7.892 3.969 9.198 1.00 0.00 ATOM 230 CD2 PHE 30 8.827 5.484 10.771 1.00 0.00 ATOM 231 CE1 PHE 30 8.784 4.406 8.250 1.00 0.00 ATOM 232 CE2 PHE 30 9.720 5.923 9.823 1.00 0.00 ATOM 233 CZ PHE 30 9.700 5.380 8.562 1.00 0.00 ATOM 234 O PHE 30 9.421 1.855 12.124 1.00 0.00 ATOM 235 C PHE 30 8.520 2.482 12.679 1.00 0.00 ATOM 236 N GLY 31 8.696 3.048 13.883 1.00 0.00 ATOM 237 CA GLY 31 9.966 2.940 14.541 1.00 0.00 ATOM 238 O GLY 31 11.406 1.043 14.729 1.00 0.00 ATOM 239 C GLY 31 10.262 1.490 14.800 1.00 0.00 ATOM 240 N ALA 32 9.229 0.720 15.176 1.00 0.00 ATOM 241 CA ALA 32 9.396 -0.671 15.476 1.00 0.00 ATOM 242 CB ALA 32 8.129 -1.306 16.076 1.00 0.00 ATOM 243 O ALA 32 10.605 -2.357 14.318 1.00 0.00 ATOM 244 C ALA 32 9.757 -1.467 14.257 1.00 0.00 ATOM 245 N ARG 33 9.056 -1.560 13.023 1.00 0.00 ATOM 246 CA ARG 33 9.277 -2.470 11.939 1.00 0.00 ATOM 247 CB ARG 33 7.968 -2.907 11.260 1.00 0.00 ATOM 248 CG ARG 33 8.180 -3.885 10.102 1.00 0.00 ATOM 249 CD ARG 33 8.850 -5.197 10.515 1.00 0.00 ATOM 250 NE ARG 33 8.054 -5.795 11.625 1.00 0.00 ATOM 251 CZ ARG 33 8.560 -6.854 12.324 1.00 0.00 ATOM 252 NH1 ARG 33 9.778 -7.371 11.990 1.00 0.00 ATOM 253 NH2 ARG 33 7.857 -7.399 13.358 1.00 0.00 ATOM 254 O ARG 33 11.355 -2.225 10.817 1.00 0.00 ATOM 255 C ARG 33 10.160 -1.937 10.864 1.00 0.00 ATOM 256 N LEU 34 9.563 -1.201 9.920 1.00 0.00 ATOM 257 CA LEU 34 10.293 -0.786 8.768 1.00 0.00 ATOM 258 CB LEU 34 9.407 -0.134 7.721 1.00 0.00 ATOM 259 CG LEU 34 8.532 -1.125 6.950 1.00 0.00 ATOM 260 CD1 LEU 34 7.420 -0.405 6.215 1.00 0.00 ATOM 261 CD2 LEU 34 9.358 -1.984 5.990 1.00 0.00 ATOM 262 O LEU 34 12.453 0.061 8.700 1.00 0.00 ATOM 263 C LEU 34 11.308 0.211 9.124 1.00 0.00 ATOM 264 N VAL 35 11.363 1.756 9.552 1.00 0.00 ATOM 265 CA VAL 35 12.261 2.857 9.663 1.00 0.00 ATOM 266 CB VAL 35 13.383 2.591 10.637 1.00 0.00 ATOM 267 CG1 VAL 35 12.677 2.172 11.926 1.00 0.00 ATOM 268 CG2 VAL 35 14.440 1.581 10.152 1.00 0.00 ATOM 269 O VAL 35 13.901 3.144 7.942 1.00 0.00 ATOM 270 C VAL 35 12.715 3.132 8.262 1.00 0.00 ATOM 271 N GLN 36 11.713 3.246 7.367 1.00 0.00 ATOM 272 CA GLN 36 11.930 3.374 5.959 1.00 0.00 ATOM 273 CB GLN 36 10.624 3.662 5.203 1.00 0.00 ATOM 274 CG GLN 36 10.800 3.768 3.688 1.00 0.00 ATOM 275 CD GLN 36 9.433 4.069 3.087 1.00 0.00 ATOM 276 OE1 GLN 36 8.547 4.591 3.762 1.00 0.00 ATOM 277 NE2 GLN 36 9.247 3.732 1.782 1.00 0.00 ATOM 278 O GLN 36 13.887 4.360 5.085 1.00 0.00 ATOM 279 C GLN 36 12.838 4.516 5.708 1.00 0.00 ATOM 280 N GLU 37 12.669 5.783 6.500 1.00 0.00 ATOM 281 CA GLU 37 13.582 6.866 6.373 1.00 0.00 ATOM 282 CB GLU 37 12.956 8.215 6.018 1.00 0.00 ATOM 283 CG GLU 37 14.016 9.291 5.786 1.00 0.00 ATOM 284 CD GLU 37 13.285 10.509 5.271 1.00 0.00 ATOM 285 OE1 GLU 37 12.030 10.437 5.218 1.00 0.00 ATOM 286 OE2 GLU 37 13.956 11.514 4.925 1.00 0.00 ATOM 287 O GLU 37 14.117 8.025 8.362 1.00 0.00 ATOM 288 C GLU 37 14.162 6.976 7.725 1.00 0.00 ATOM 289 N GLY 38 14.734 5.851 8.181 1.00 0.00 ATOM 290 CA GLY 38 15.341 5.833 9.461 1.00 0.00 ATOM 291 O GLY 38 13.078 5.584 10.050 1.00 0.00 ATOM 292 C GLY 38 14.248 5.601 10.417 1.00 0.00 ATOM 293 N ASN 39 14.617 5.449 11.687 1.00 0.00 ATOM 294 CA ASN 39 13.680 5.104 12.698 1.00 0.00 ATOM 295 CB ASN 39 14.334 4.974 14.086 1.00 0.00 ATOM 296 CG ASN 39 15.366 3.849 14.076 1.00 0.00 ATOM 297 ND2 ASN 39 16.223 3.815 15.133 1.00 0.00 ATOM 298 OD1 ASN 39 15.415 3.020 13.169 1.00 0.00 ATOM 299 O ASN 39 11.435 5.822 12.896 1.00 0.00 ATOM 300 C ASN 39 12.618 6.152 12.839 1.00 0.00 ATOM 301 N ARG 40 12.993 7.447 12.829 1.00 0.00 ATOM 302 CA ARG 40 12.049 8.474 13.177 1.00 0.00 ATOM 303 CB ARG 40 12.743 9.848 13.376 1.00 0.00 ATOM 304 CG ARG 40 13.646 9.954 14.609 1.00 0.00 ATOM 305 CD ARG 40 12.961 10.496 15.896 1.00 0.00 ATOM 306 NE ARG 40 12.233 11.756 15.707 1.00 0.00 ATOM 307 CZ ARG 40 12.656 12.958 16.073 1.00 0.00 ATOM 308 NH1 ARG 40 13.857 13.129 16.626 1.00 0.00 ATOM 309 NH2 ARG 40 11.867 14.014 15.873 1.00 0.00 ATOM 310 O ARG 40 11.129 9.041 11.007 1.00 0.00 ATOM 311 C ARG 40 10.881 8.855 12.210 1.00 0.00 ATOM 312 N LEU 41 9.593 8.878 12.831 1.00 0.00 ATOM 313 CA LEU 41 8.405 9.169 12.020 1.00 0.00 ATOM 314 CB LEU 41 7.207 9.335 12.968 1.00 0.00 ATOM 315 CG LEU 41 7.168 8.269 14.074 1.00 0.00 ATOM 316 CD1 LEU 41 7.276 6.860 13.482 1.00 0.00 ATOM 317 CD2 LEU 41 8.216 8.551 15.159 1.00 0.00 ATOM 318 O LEU 41 8.039 10.781 10.287 1.00 0.00 ATOM 319 C LEU 41 8.514 10.557 11.398 1.00 0.00 ATOM 320 N HIS 42 9.139 11.443 12.091 1.00 0.00 ATOM 321 CA HIS 42 9.302 12.796 11.571 1.00 0.00 ATOM 322 CB HIS 42 9.716 13.745 12.686 1.00 0.00 ATOM 323 CG HIS 42 8.872 13.624 13.918 1.00 0.00 ATOM 324 CD2 HIS 42 7.933 14.447 14.440 1.00 0.00 ATOM 325 ND1 HIS 42 8.964 12.552 14.782 1.00 0.00 ATOM 326 CE1 HIS 42 8.108 12.713 15.774 1.00 0.00 ATOM 327 NE2 HIS 42 7.469 13.856 15.594 1.00 0.00 ATOM 328 O HIS 42 10.003 13.521 9.430 1.00 0.00 ATOM 329 C HIS 42 10.220 12.791 10.395 1.00 0.00 ATOM 330 N TYR 43 11.280 11.969 10.438 1.00 0.00 ATOM 331 CA TYR 43 12.169 11.971 9.318 1.00 0.00 ATOM 332 CB TYR 43 13.382 11.090 9.574 1.00 0.00 ATOM 333 CG TYR 43 14.535 11.822 10.204 1.00 0.00 ATOM 334 CD1 TYR 43 15.056 11.385 11.409 1.00 0.00 ATOM 335 CD2 TYR 43 15.103 12.918 9.614 1.00 0.00 ATOM 336 CE1 TYR 43 16.137 12.023 11.955 1.00 0.00 ATOM 337 CE2 TYR 43 16.169 13.571 10.144 1.00 0.00 ATOM 338 CZ TYR 43 16.701 13.143 11.318 1.00 0.00 ATOM 339 OH TYR 43 17.765 13.818 11.832 1.00 0.00 ATOM 340 O TYR 43 11.591 12.060 7.025 1.00 0.00 ATOM 341 C TYR 43 11.420 11.514 8.112 1.00 0.00 ATOM 342 N LEU 44 10.545 10.511 8.290 1.00 0.00 ATOM 343 CA LEU 44 9.737 9.995 7.223 1.00 0.00 ATOM 344 CB LEU 44 8.860 8.869 7.626 1.00 0.00 ATOM 345 CG LEU 44 7.959 8.356 6.492 1.00 0.00 ATOM 346 CD1 LEU 44 8.777 7.945 5.268 1.00 0.00 ATOM 347 CD2 LEU 44 7.069 7.205 6.969 1.00 0.00 ATOM 348 O LEU 44 8.743 11.273 5.487 1.00 0.00 ATOM 349 C LEU 44 8.884 11.100 6.698 1.00 0.00 ATOM 350 N ALA 45 8.299 11.897 7.609 1.00 0.00 ATOM 351 CA ALA 45 7.425 12.949 7.188 1.00 0.00 ATOM 352 CB ALA 45 6.778 13.714 8.356 1.00 0.00 ATOM 353 O ALA 45 9.382 14.220 6.742 1.00 0.00 ATOM 354 C ALA 45 8.221 13.959 6.431 1.00 0.00 ATOM 355 N ASP 46 7.600 14.525 5.379 1.00 0.00 ATOM 356 CA ASP 46 8.207 15.535 4.564 1.00 0.00 ATOM 357 CB ASP 46 8.527 16.857 5.288 1.00 0.00 ATOM 358 CG ASP 46 7.213 17.573 5.549 1.00 0.00 ATOM 359 OD1 ASP 46 6.168 16.875 5.642 1.00 0.00 ATOM 360 OD2 ASP 46 7.235 18.830 5.640 1.00 0.00 ATOM 361 O ASP 46 10.440 15.864 3.705 1.00 0.00 ATOM 362 C ASP 46 9.515 15.072 3.921 1.00 0.00 ATOM 363 N ARG 47 9.518 13.786 3.688 1.00 0.00 ATOM 364 CA ARG 47 10.678 13.205 3.029 1.00 0.00 ATOM 365 CB ARG 47 10.382 11.771 2.661 1.00 0.00 ATOM 366 CG ARG 47 11.482 11.091 1.845 1.00 0.00 ATOM 367 CD ARG 47 12.758 10.863 2.642 1.00 0.00 ATOM 368 NE ARG 47 13.675 9.979 1.922 1.00 0.00 ATOM 369 CZ ARG 47 14.583 10.370 1.030 1.00 0.00 ATOM 370 NH1 ARG 47 14.729 11.653 0.718 1.00 0.00 ATOM 371 NH2 ARG 47 15.325 9.460 0.413 1.00 0.00 ATOM 372 O ARG 47 9.673 14.119 1.108 1.00 0.00 ATOM 373 C ARG 47 10.717 13.794 1.667 1.00 0.00 ATOM 374 N ALA 48 12.007 13.985 1.042 1.00 0.00 ATOM 375 CA ALA 48 12.151 14.542 -0.267 1.00 0.00 ATOM 376 CB ALA 48 13.589 14.573 -0.706 1.00 0.00 ATOM 377 O ALA 48 10.826 14.225 -2.224 1.00 0.00 ATOM 378 C ALA 48 11.361 13.687 -1.246 1.00 0.00 ATOM 379 N GLY 49 11.271 12.441 -0.838 1.00 0.00 ATOM 380 CA GLY 49 10.543 11.516 -1.720 1.00 0.00 ATOM 381 O GLY 49 11.519 9.725 -0.514 1.00 0.00 ATOM 382 C GLY 49 10.521 10.177 -1.075 1.00 0.00 ATOM 383 N ILE 50 9.321 9.475 -1.156 1.00 0.00 ATOM 384 CA ILE 50 9.231 8.137 -0.658 1.00 0.00 ATOM 385 CB ILE 50 7.848 7.532 -0.737 1.00 0.00 ATOM 386 CG1 ILE 50 7.771 6.248 0.105 1.00 0.00 ATOM 387 CG2 ILE 50 7.461 7.316 -2.212 1.00 0.00 ATOM 388 CD1 ILE 50 6.336 5.750 0.299 1.00 0.00 ATOM 389 O ILE 50 10.806 6.420 -0.988 1.00 0.00 ATOM 390 C ILE 50 10.130 7.307 -1.495 1.00 0.00 ATOM 391 N ARG 51 9.979 7.695 -2.937 1.00 0.00 ATOM 392 CA ARG 51 10.531 6.902 -3.990 1.00 0.00 ATOM 393 CB ARG 51 10.339 7.694 -5.335 1.00 0.00 ATOM 394 CG ARG 51 11.146 7.175 -6.520 1.00 0.00 ATOM 395 CD ARG 51 10.782 7.878 -7.829 1.00 0.00 ATOM 396 NE ARG 51 11.732 7.557 -8.906 1.00 0.00 ATOM 397 CZ ARG 51 12.745 8.318 -9.313 1.00 0.00 ATOM 398 NH1 ARG 51 13.055 9.504 -8.784 1.00 0.00 ATOM 399 NH2 ARG 51 13.547 7.932 -10.301 1.00 0.00 ATOM 400 O ARG 51 12.309 5.366 -4.028 1.00 0.00 ATOM 401 C ARG 51 11.949 6.504 -3.730 1.00 0.00 ATOM 402 N GLY 52 12.812 7.396 -3.208 1.00 0.00 ATOM 403 CA GLY 52 14.185 6.982 -3.110 1.00 0.00 ATOM 404 O GLY 52 14.940 4.767 -2.690 1.00 0.00 ATOM 405 C GLY 52 14.347 5.754 -2.259 1.00 0.00 ATOM 406 N LEU 53 13.842 5.794 -1.014 1.00 0.00 ATOM 407 CA LEU 53 13.931 4.682 -0.109 1.00 0.00 ATOM 408 CB LEU 53 13.571 5.099 1.331 1.00 0.00 ATOM 409 CG LEU 53 14.577 6.138 1.841 1.00 0.00 ATOM 410 CD1 LEU 53 14.167 6.622 3.253 1.00 0.00 ATOM 411 CD2 LEU 53 15.975 5.495 1.890 1.00 0.00 ATOM 412 O LEU 53 13.198 2.435 -0.425 1.00 0.00 ATOM 413 C LEU 53 12.965 3.638 -0.555 1.00 0.00 ATOM 414 N PHE 54 11.844 4.108 -1.121 1.00 0.00 ATOM 415 CA PHE 54 10.771 3.238 -1.467 1.00 0.00 ATOM 416 CB PHE 54 9.500 3.996 -1.879 1.00 0.00 ATOM 417 CG PHE 54 8.395 3.006 -1.996 1.00 0.00 ATOM 418 CD1 PHE 54 8.245 2.266 -3.143 1.00 0.00 ATOM 419 CD2 PHE 54 7.512 2.823 -0.957 1.00 0.00 ATOM 420 CE1 PHE 54 7.225 1.352 -3.256 1.00 0.00 ATOM 421 CE2 PHE 54 6.491 1.909 -1.064 1.00 0.00 ATOM 422 CZ PHE 54 6.346 1.172 -2.213 1.00 0.00 ATOM 423 O PHE 54 11.094 2.767 -3.766 1.00 0.00 ATOM 424 C PHE 54 11.171 2.366 -2.606 1.00 0.00 ATOM 425 N SER 55 11.526 1.092 -2.166 1.00 0.00 ATOM 426 CA SER 55 11.831 0.065 -3.129 1.00 0.00 ATOM 427 CB SER 55 10.557 -0.508 -3.763 1.00 0.00 ATOM 428 OG SER 55 9.688 -1.004 -2.755 1.00 0.00 ATOM 429 O SER 55 12.312 1.281 -5.121 1.00 0.00 ATOM 430 C SER 55 12.720 0.528 -4.244 1.00 0.00 ATOM 431 N ASP 56 14.013 0.149 -4.214 1.00 0.00 ATOM 432 CA ASP 56 14.830 0.549 -5.325 1.00 0.00 ATOM 433 CB ASP 56 16.317 0.191 -5.151 1.00 0.00 ATOM 434 CG ASP 56 16.940 1.159 -4.156 1.00 0.00 ATOM 435 OD1 ASP 56 16.296 2.203 -3.868 1.00 0.00 ATOM 436 OD2 ASP 56 18.068 0.875 -3.677 1.00 0.00 ATOM 437 O ASP 56 13.783 0.524 -7.462 1.00 0.00 ATOM 438 C ASP 56 14.292 -0.133 -6.556 1.00 0.00 ATOM 439 N ALA 57 14.395 -1.477 -6.614 1.00 0.00 ATOM 440 CA ALA 57 13.966 -2.245 -7.754 1.00 0.00 ATOM 441 CB ALA 57 14.260 -3.745 -7.573 1.00 0.00 ATOM 442 O ALA 57 12.102 -1.879 -9.189 1.00 0.00 ATOM 443 C ALA 57 12.506 -2.114 -8.051 1.00 0.00 ATOM 444 N ASP 58 11.610 -2.439 -7.030 1.00 0.00 ATOM 445 CA ASP 58 10.200 -2.491 -7.275 1.00 0.00 ATOM 446 CB ASP 58 9.496 -3.558 -6.411 1.00 0.00 ATOM 447 CG ASP 58 9.828 -3.325 -4.947 1.00 0.00 ATOM 448 OD1 ASP 58 11.041 -3.242 -4.610 1.00 0.00 ATOM 449 OD2 ASP 58 8.867 -3.244 -4.140 1.00 0.00 ATOM 450 O ASP 58 8.350 -0.998 -7.339 1.00 0.00 ATOM 451 C ASP 58 9.568 -1.103 -7.290 1.00 0.00 ATOM 452 N ALA 59 10.395 -0.080 -7.257 1.00 0.00 ATOM 453 CA ALA 59 9.836 1.265 -7.220 1.00 0.00 ATOM 454 CB ALA 59 10.934 2.339 -7.321 1.00 0.00 ATOM 455 O ALA 59 8.021 2.178 -8.461 1.00 0.00 ATOM 456 C ALA 59 9.010 1.452 -8.466 1.00 0.00 ATOM 457 N TYR 60 9.416 0.784 -9.518 1.00 0.00 ATOM 458 CA TYR 60 8.654 0.854 -10.771 1.00 0.00 ATOM 459 CB TYR 60 9.224 -0.005 -11.845 1.00 0.00 ATOM 460 CG TYR 60 10.505 0.569 -12.389 1.00 0.00 ATOM 461 CD1 TYR 60 10.512 1.801 -13.036 1.00 0.00 ATOM 462 CD2 TYR 60 11.702 -0.118 -12.256 1.00 0.00 ATOM 463 CE1 TYR 60 11.687 2.340 -13.545 1.00 0.00 ATOM 464 CE2 TYR 60 12.893 0.414 -12.763 1.00 0.00 ATOM 465 CZ TYR 60 12.868 1.642 -13.402 1.00 0.00 ATOM 466 OH TYR 60 14.018 2.202 -13.908 1.00 0.00 ATOM 467 O TYR 60 6.281 0.824 -11.087 1.00 0.00 ATOM 468 C TYR 60 7.257 0.306 -10.544 1.00 0.00 ATOM 469 N HIS 61 7.199 -0.775 -9.738 1.00 0.00 ATOM 470 CA HIS 61 5.923 -1.399 -9.430 1.00 0.00 ATOM 471 CB HIS 61 6.023 -2.653 -8.552 1.00 0.00 ATOM 472 CG HIS 61 6.576 -3.820 -9.313 1.00 0.00 ATOM 473 CD2 HIS 61 7.865 -4.200 -9.514 1.00 0.00 ATOM 474 ND1 HIS 61 5.803 -4.733 -9.996 1.00 0.00 ATOM 475 CE1 HIS 61 6.657 -5.615 -10.572 1.00 0.00 ATOM 476 NE2 HIS 61 7.920 -5.332 -10.309 1.00 0.00 ATOM 477 O HIS 61 3.925 -0.253 -8.865 1.00 0.00 ATOM 478 C HIS 61 5.135 -0.372 -8.684 1.00 0.00 ATOM 479 N LEU 62 5.818 0.407 -7.825 1.00 0.00 ATOM 480 CA LEU 62 5.193 1.444 -7.055 1.00 0.00 ATOM 481 CB LEU 62 6.202 2.184 -6.157 1.00 0.00 ATOM 482 CG LEU 62 5.587 3.322 -5.317 1.00 0.00 ATOM 483 CD1 LEU 62 4.618 2.769 -4.256 1.00 0.00 ATOM 484 CD2 LEU 62 6.669 4.239 -4.722 1.00 0.00 ATOM 485 O LEU 62 3.633 3.085 -7.758 1.00 0.00 ATOM 486 C LEU 62 4.658 2.455 -8.016 1.00 0.00 ATOM 487 N ASP 63 5.432 2.761 -9.076 1.00 0.00 ATOM 488 CA ASP 63 4.988 3.708 -10.053 1.00 0.00 ATOM 489 CB ASP 63 6.110 4.078 -11.023 1.00 0.00 ATOM 490 CG ASP 63 7.180 4.942 -10.372 1.00 0.00 ATOM 491 OD1 ASP 63 6.974 5.395 -9.223 1.00 0.00 ATOM 492 OD2 ASP 63 8.226 5.172 -11.016 1.00 0.00 ATOM 493 O ASP 63 2.834 3.854 -11.027 1.00 0.00 ATOM 494 C ASP 63 3.774 3.139 -10.705 1.00 0.00 ATOM 495 N GLN 64 3.711 1.818 -10.880 1.00 0.00 ATOM 496 CA GLN 64 2.499 1.297 -11.434 1.00 0.00 ATOM 497 CB GLN 64 2.479 -0.191 -11.551 1.00 0.00 ATOM 498 CG GLN 64 3.514 -0.758 -12.484 1.00 0.00 ATOM 499 CD GLN 64 3.361 -2.254 -12.614 1.00 0.00 ATOM 500 OE1 GLN 64 3.378 -2.978 -11.617 1.00 0.00 ATOM 501 NE2 GLN 64 3.198 -2.728 -13.844 1.00 0.00 ATOM 502 O GLN 64 0.295 2.031 -10.901 1.00 0.00 ATOM 503 C GLN 64 1.389 1.642 -10.492 1.00 0.00 ATOM 504 N ALA 65 1.691 1.574 -9.183 1.00 0.00 ATOM 505 CA ALA 65 0.713 1.796 -8.165 1.00 0.00 ATOM 506 CB ALA 65 1.332 1.426 -6.799 1.00 0.00 ATOM 507 O ALA 65 -0.964 3.466 -8.065 1.00 0.00 ATOM 508 C ALA 65 0.242 3.220 -8.118 1.00 0.00 ATOM 509 N PHE 66 1.165 4.205 -8.151 1.00 0.00 ATOM 510 CA PHE 66 0.708 5.558 -7.996 1.00 0.00 ATOM 511 CB PHE 66 1.861 6.525 -7.813 1.00 0.00 ATOM 512 CG PHE 66 2.285 6.517 -6.361 1.00 0.00 ATOM 513 CD1 PHE 66 1.457 7.132 -5.430 1.00 0.00 ATOM 514 CD2 PHE 66 3.438 5.899 -5.927 1.00 0.00 ATOM 515 CE1 PHE 66 1.787 7.163 -4.086 1.00 0.00 ATOM 516 CE2 PHE 66 3.786 5.936 -4.576 1.00 0.00 ATOM 517 CZ PHE 66 2.961 6.573 -3.672 1.00 0.00 ATOM 518 O PHE 66 -1.157 6.589 -9.004 1.00 0.00 ATOM 519 C PHE 66 -0.100 5.987 -9.180 1.00 0.00 ATOM 520 N PRO 67 0.360 5.795 -10.381 1.00 0.00 ATOM 521 CA PRO 67 -0.522 6.151 -11.445 1.00 0.00 ATOM 522 CB PRO 67 0.297 5.870 -12.718 1.00 0.00 ATOM 523 CG PRO 67 1.738 6.045 -12.255 1.00 0.00 ATOM 524 CD PRO 67 1.748 5.419 -10.900 1.00 0.00 ATOM 525 O PRO 67 -2.839 6.104 -11.713 1.00 0.00 ATOM 526 C PRO 67 -1.839 5.446 -11.435 1.00 0.00 ATOM 527 N LEU 68 -1.896 4.137 -11.134 1.00 0.00 ATOM 528 CA LEU 68 -3.192 3.524 -11.057 1.00 0.00 ATOM 529 CB LEU 68 -3.083 2.026 -10.886 1.00 0.00 ATOM 530 CG LEU 68 -2.809 1.286 -12.195 1.00 0.00 ATOM 531 CD1 LEU 68 -2.280 -0.094 -11.888 1.00 0.00 ATOM 532 CD2 LEU 68 -4.089 1.181 -13.043 1.00 0.00 ATOM 533 O LEU 68 -5.178 4.430 -10.021 1.00 0.00 ATOM 534 C LEU 68 -3.990 4.115 -9.892 1.00 0.00 ATOM 535 N LEU 69 -3.331 4.276 -8.768 1.00 0.00 ATOM 536 CA LEU 69 -3.993 4.812 -7.585 1.00 0.00 ATOM 537 CB LEU 69 -3.066 4.390 -6.366 1.00 0.00 ATOM 538 CG LEU 69 -3.511 4.853 -5.023 1.00 0.00 ATOM 539 CD1 LEU 69 -4.866 4.249 -4.641 1.00 0.00 ATOM 540 CD2 LEU 69 -2.451 4.440 -4.005 1.00 0.00 ATOM 541 O LEU 69 -5.316 6.675 -6.983 1.00 0.00 ATOM 542 C LEU 69 -4.448 6.234 -7.732 1.00 0.00 ATOM 543 N MET 70 -3.798 7.051 -8.579 1.00 0.00 ATOM 544 CA MET 70 -4.233 8.417 -8.616 1.00 0.00 ATOM 545 CB MET 70 -3.288 9.245 -9.505 1.00 0.00 ATOM 546 CG MET 70 -1.870 9.274 -8.960 1.00 0.00 ATOM 547 SD MET 70 -1.749 10.331 -7.513 1.00 0.00 ATOM 548 CE MET 70 -1.898 11.929 -8.330 1.00 0.00 ATOM 549 O MET 70 -6.486 9.147 -8.447 1.00 0.00 ATOM 550 C MET 70 -5.658 8.504 -9.089 1.00 0.00 ATOM 551 N LYS 71 -6.003 7.793 -10.178 1.00 0.00 ATOM 552 CA LYS 71 -7.333 7.856 -10.720 1.00 0.00 ATOM 553 CB LYS 71 -7.425 7.122 -12.056 1.00 0.00 ATOM 554 CG LYS 71 -6.594 7.722 -13.171 1.00 0.00 ATOM 555 CD LYS 71 -6.625 6.860 -14.416 1.00 0.00 ATOM 556 CE LYS 71 -5.672 7.386 -15.467 1.00 0.00 ATOM 557 NZ LYS 71 -5.736 6.604 -16.785 1.00 0.00 ATOM 558 O LYS 71 -9.397 7.638 -9.585 1.00 0.00 ATOM 559 C LYS 71 -8.313 7.127 -9.861 1.00 0.00 ATOM 560 N GLN 72 -7.879 5.862 -9.440 1.00 0.00 ATOM 561 CA GLN 72 -8.791 5.016 -8.725 1.00 0.00 ATOM 562 CB GLN 72 -8.397 3.550 -8.860 1.00 0.00 ATOM 563 CG GLN 72 -8.532 2.991 -10.259 1.00 0.00 ATOM 564 CD GLN 72 -8.246 1.512 -10.335 1.00 0.00 ATOM 565 OE1 GLN 72 -7.139 1.061 -9.943 1.00 0.00 ATOM 566 NE2 GLN 72 -9.185 0.772 -10.899 1.00 0.00 ATOM 567 O GLN 72 -7.686 5.865 -6.814 1.00 0.00 ATOM 568 C GLN 72 -8.683 5.343 -7.277 1.00 0.00 ATOM 569 N LEU 73 -9.704 5.027 -6.486 1.00 0.00 ATOM 570 CA LEU 73 -9.638 5.342 -5.094 1.00 0.00 ATOM 571 CB LEU 73 -11.081 5.213 -4.478 1.00 0.00 ATOM 572 CG LEU 73 -12.069 6.281 -4.949 1.00 0.00 ATOM 573 CD1 LEU 73 -13.477 5.880 -4.542 1.00 0.00 ATOM 574 CD2 LEU 73 -11.680 7.641 -4.342 1.00 0.00 ATOM 575 O LEU 73 -7.995 4.955 -3.348 1.00 0.00 ATOM 576 C LEU 73 -8.654 4.497 -4.287 1.00 0.00 ATOM 577 N GLU 74 -8.672 3.179 -4.732 1.00 0.00 ATOM 578 CA GLU 74 -7.697 2.282 -4.117 1.00 0.00 ATOM 579 CB GLU 74 -8.482 1.153 -3.437 1.00 0.00 ATOM 580 CG GLU 74 -9.510 1.620 -2.413 1.00 0.00 ATOM 581 CD GLU 74 -10.174 0.381 -1.836 1.00 0.00 ATOM 582 OE1 GLU 74 -10.189 -0.663 -2.542 1.00 0.00 ATOM 583 OE2 GLU 74 -10.675 0.460 -0.682 1.00 0.00 ATOM 584 O GLU 74 -7.200 1.279 -6.252 1.00 0.00 ATOM 585 C GLU 74 -6.848 1.478 -5.077 1.00 0.00 ATOM 586 N LEU 75 -5.809 0.925 -4.489 1.00 0.00 ATOM 587 CA LEU 75 -4.879 0.106 -5.248 1.00 0.00 ATOM 588 CB LEU 75 -3.606 0.884 -5.504 1.00 0.00 ATOM 589 CG LEU 75 -2.516 0.085 -6.222 1.00 0.00 ATOM 590 CD1 LEU 75 -3.060 -0.440 -7.545 1.00 0.00 ATOM 591 CD2 LEU 75 -1.293 0.967 -6.455 1.00 0.00 ATOM 592 O LEU 75 -4.347 -0.786 -3.117 1.00 0.00 ATOM 593 C LEU 75 -4.273 -0.914 -4.339 1.00 0.00 ATOM 594 N MET 76 -3.788 -2.035 -4.916 1.00 0.00 ATOM 595 CA MET 76 -3.184 -3.066 -4.117 1.00 0.00 ATOM 596 CB MET 76 -4.073 -4.297 -4.066 1.00 0.00 ATOM 597 CG MET 76 -5.465 -4.009 -3.507 1.00 0.00 ATOM 598 SD MET 76 -5.533 -3.414 -1.798 1.00 0.00 ATOM 599 CE MET 76 -5.470 -4.950 -0.937 1.00 0.00 ATOM 600 O MET 76 -1.773 -3.697 -5.924 1.00 0.00 ATOM 601 C MET 76 -1.877 -3.489 -4.717 1.00 0.00 ATOM 602 N LEU 77 -0.833 -3.598 -3.868 1.00 0.00 ATOM 603 CA LEU 77 0.468 -4.019 -4.303 1.00 0.00 ATOM 604 CB LEU 77 1.486 -2.868 -4.196 1.00 0.00 ATOM 605 CG LEU 77 1.019 -1.546 -4.821 1.00 0.00 ATOM 606 CD1 LEU 77 2.141 -0.562 -4.681 1.00 0.00 ATOM 607 CD2 LEU 77 0.640 -1.732 -6.267 1.00 0.00 ATOM 608 O LEU 77 1.003 -5.070 -2.256 1.00 0.00 ATOM 609 C LEU 77 0.965 -5.180 -3.476 1.00 0.00 ATOM 610 N THR 78 1.614 -6.124 -4.119 1.00 0.00 ATOM 611 CA THR 78 2.145 -7.284 -3.415 1.00 0.00 ATOM 612 CB THR 78 2.480 -8.398 -4.433 1.00 0.00 ATOM 613 CG2 THR 78 1.256 -8.770 -5.251 1.00 0.00 ATOM 614 OG1 THR 78 3.515 -7.906 -5.298 1.00 0.00 ATOM 615 O THR 78 3.960 -5.946 -2.629 1.00 0.00 ATOM 616 C THR 78 3.517 -7.072 -2.854 1.00 0.00 ATOM 617 N SER 79 4.261 -8.249 -2.466 1.00 0.00 ATOM 618 CA SER 79 5.531 -8.222 -1.813 1.00 0.00 ATOM 619 CB SER 79 6.153 -9.618 -1.620 1.00 0.00 ATOM 620 OG SER 79 5.325 -10.419 -0.791 1.00 0.00 ATOM 621 O SER 79 6.641 -7.673 -3.845 1.00 0.00 ATOM 622 C SER 79 6.481 -7.437 -2.648 1.00 0.00 ATOM 623 N GLY 80 7.127 -6.445 -2.001 1.00 0.00 ATOM 624 CA GLY 80 8.092 -5.626 -2.665 1.00 0.00 ATOM 625 O GLY 80 8.794 -5.200 -0.412 1.00 0.00 ATOM 626 C GLY 80 9.104 -5.252 -1.593 1.00 0.00 ATOM 627 N GLU 81 10.330 -5.108 -1.992 1.00 0.00 ATOM 628 CA GLU 81 11.354 -4.620 -1.113 1.00 0.00 ATOM 629 CB GLU 81 12.737 -4.987 -1.678 1.00 0.00 ATOM 630 CG GLU 81 12.911 -6.491 -1.916 1.00 0.00 ATOM 631 CD GLU 81 14.276 -6.722 -2.550 1.00 0.00 ATOM 632 OE1 GLU 81 14.502 -6.203 -3.676 1.00 0.00 ATOM 633 OE2 GLU 81 15.114 -7.419 -1.917 1.00 0.00 ATOM 634 O GLU 81 11.552 -2.302 -1.569 1.00 0.00 ATOM 635 C GLU 81 11.368 -3.178 -0.727 1.00 0.00 ATOM 636 N LEU 82 11.211 -2.896 0.582 1.00 0.00 ATOM 637 CA LEU 82 11.273 -1.536 1.029 1.00 0.00 ATOM 638 CB LEU 82 10.093 -1.212 1.977 1.00 0.00 ATOM 639 CG LEU 82 8.702 -1.512 1.426 1.00 0.00 ATOM 640 CD1 LEU 82 7.636 -1.391 2.519 1.00 0.00 ATOM 641 CD2 LEU 82 8.436 -0.559 0.275 1.00 0.00 ATOM 642 O LEU 82 13.147 -2.355 2.191 1.00 0.00 ATOM 643 C LEU 82 12.602 -1.384 1.675 1.00 0.00 ATOM 644 N ASN 83 13.182 -0.169 1.619 1.00 0.00 ATOM 645 CA ASN 83 14.509 0.001 2.134 1.00 0.00 ATOM 646 CB ASN 83 15.315 1.070 1.373 1.00 0.00 ATOM 647 CG ASN 83 15.515 0.608 -0.064 1.00 0.00 ATOM 648 ND2 ASN 83 15.928 1.555 -0.947 1.00 0.00 ATOM 649 OD1 ASN 83 15.315 -0.559 -0.396 1.00 0.00 ATOM 650 O ASN 83 14.417 1.693 3.799 1.00 0.00 ATOM 651 C ASN 83 14.591 0.501 3.551 1.00 0.00 ATOM 652 N PRO 84 14.942 -0.371 4.468 1.00 0.00 ATOM 653 CA PRO 84 15.226 0.102 5.793 1.00 0.00 ATOM 654 CB PRO 84 15.424 -1.126 6.675 1.00 0.00 ATOM 655 CG PRO 84 14.569 -2.181 5.969 1.00 0.00 ATOM 656 CD PRO 84 14.596 -1.746 4.498 1.00 0.00 ATOM 657 O PRO 84 17.024 1.313 4.883 1.00 0.00 ATOM 658 C PRO 84 16.323 1.105 5.871 1.00 0.00 ATOM 659 N ARG 85 16.480 1.731 7.050 1.00 0.00 ATOM 660 CA ARG 85 17.351 2.857 7.162 1.00 0.00 ATOM 661 CB ARG 85 17.423 3.468 8.577 1.00 0.00 ATOM 662 CG ARG 85 18.010 2.563 9.661 1.00 0.00 ATOM 663 CD ARG 85 18.041 3.232 11.038 1.00 0.00 ATOM 664 NE ARG 85 18.879 4.462 10.935 1.00 0.00 ATOM 665 CZ ARG 85 20.153 4.478 11.425 1.00 0.00 ATOM 666 NH1 ARG 85 20.673 3.374 12.038 1.00 0.00 ATOM 667 NH2 ARG 85 20.913 5.606 11.308 1.00 0.00 ATOM 668 O ARG 85 19.324 3.196 5.911 1.00 0.00 ATOM 669 C ARG 85 18.727 2.484 6.717 1.00 0.00 ATOM 670 N HIS 86 19.268 1.340 7.170 1.00 0.00 ATOM 671 CA HIS 86 20.614 1.083 6.751 1.00 0.00 ATOM 672 CB HIS 86 21.591 1.415 7.827 1.00 0.00 ATOM 673 CG HIS 86 23.000 1.039 7.492 1.00 0.00 ATOM 674 CD2 HIS 86 23.787 0.035 7.945 1.00 0.00 ATOM 675 ND1 HIS 86 23.750 1.724 6.559 1.00 0.00 ATOM 676 CE1 HIS 86 24.939 1.158 6.453 1.00 0.00 ATOM 677 NE2 HIS 86 24.986 0.132 7.282 1.00 0.00 ATOM 678 O HIS 86 21.142 -0.918 5.575 1.00 0.00 ATOM 679 C HIS 86 20.605 0.178 5.538 1.00 0.00 ATOM 680 N GLN 87 20.097 0.719 4.435 1.00 0.00 ATOM 681 CA GLN 87 20.082 -0.011 3.170 1.00 0.00 ATOM 682 CB GLN 87 21.526 -0.071 2.677 1.00 0.00 ATOM 683 CG GLN 87 22.077 1.261 2.126 1.00 0.00 ATOM 684 CD GLN 87 21.248 1.835 0.963 1.00 0.00 ATOM 685 OE1 GLN 87 20.253 2.541 1.176 1.00 0.00 ATOM 686 NE2 GLN 87 21.655 1.526 -0.271 1.00 0.00 ATOM 687 O GLN 87 19.834 -2.222 2.340 1.00 0.00 ATOM 688 C GLN 87 19.543 -1.411 3.217 1.00 0.00 ATOM 689 N HIS 88 18.640 -1.890 4.214 1.00 0.00 ATOM 690 CA HIS 88 18.103 -3.217 4.245 1.00 0.00 ATOM 691 CB HIS 88 17.556 -3.544 5.635 1.00 0.00 ATOM 692 CG HIS 88 18.620 -3.576 6.688 1.00 0.00 ATOM 693 CD2 HIS 88 19.611 -4.468 6.923 1.00 0.00 ATOM 694 ND1 HIS 88 18.765 -2.584 7.633 1.00 0.00 ATOM 695 CE1 HIS 88 19.793 -2.868 8.413 1.00 0.00 ATOM 696 NE2 HIS 88 20.323 -4.007 8.003 1.00 0.00 ATOM 697 O HIS 88 16.467 -2.260 2.823 1.00 0.00 ATOM 698 C HIS 88 16.891 -3.274 3.379 1.00 0.00 ATOM 699 N THR 89 16.355 -4.495 3.175 1.00 0.00 ATOM 700 CA THR 89 15.138 -4.641 2.439 1.00 0.00 ATOM 701 CB THR 89 15.349 -5.373 1.147 1.00 0.00 ATOM 702 CG2 THR 89 16.381 -4.600 0.312 1.00 0.00 ATOM 703 OG1 THR 89 15.813 -6.692 1.398 1.00 0.00 ATOM 704 O THR 89 14.574 -6.437 3.875 1.00 0.00 ATOM 705 C THR 89 14.175 -5.426 3.300 1.00 0.00 ATOM 706 N VAL 90 12.966 -4.990 3.374 1.00 0.00 ATOM 707 CA VAL 90 11.905 -5.758 4.012 1.00 0.00 ATOM 708 CB VAL 90 11.357 -4.958 5.231 1.00 0.00 ATOM 709 CG1 VAL 90 10.194 -5.689 5.874 1.00 0.00 ATOM 710 CG2 VAL 90 12.478 -4.715 6.258 1.00 0.00 ATOM 711 O VAL 90 10.636 -5.242 2.085 1.00 0.00 ATOM 712 C VAL 90 10.847 -6.038 2.999 1.00 0.00 ATOM 713 N THR 91 10.165 -7.195 3.103 1.00 0.00 ATOM 714 CA THR 91 9.184 -7.513 2.106 1.00 0.00 ATOM 715 CB THR 91 9.404 -8.970 1.553 1.00 0.00 ATOM 716 CG2 THR 91 8.321 -9.380 0.550 1.00 0.00 ATOM 717 OG1 THR 91 10.698 -9.077 0.920 1.00 0.00 ATOM 718 O THR 91 7.389 -7.718 3.654 1.00 0.00 ATOM 719 C THR 91 7.829 -7.171 2.643 1.00 0.00 ATOM 720 N LEU 92 7.148 -6.206 1.988 1.00 0.00 ATOM 721 CA LEU 92 5.863 -5.793 2.469 1.00 0.00 ATOM 722 CB LEU 92 5.902 -4.375 3.071 1.00 0.00 ATOM 723 CG LEU 92 6.831 -4.236 4.293 1.00 0.00 ATOM 724 CD1 LEU 92 8.306 -4.425 3.909 1.00 0.00 ATOM 725 CD2 LEU 92 6.573 -2.916 5.040 1.00 0.00 ATOM 726 O LEU 92 5.211 -5.901 0.180 1.00 0.00 ATOM 727 C LEU 92 4.864 -5.763 1.352 1.00 0.00 ATOM 728 N TYR 93 3.527 -5.541 1.739 1.00 0.00 ATOM 729 CA TYR 93 2.425 -5.440 0.821 1.00 0.00 ATOM 730 CB TYR 93 1.327 -6.426 1.158 1.00 0.00 ATOM 731 CG TYR 93 1.622 -7.855 0.804 1.00 0.00 ATOM 732 CD1 TYR 93 1.307 -8.347 -0.462 1.00 0.00 ATOM 733 CD2 TYR 93 2.158 -8.735 1.737 1.00 0.00 ATOM 734 CE1 TYR 93 1.553 -9.662 -0.808 1.00 0.00 ATOM 735 CE2 TYR 93 2.401 -10.074 1.401 1.00 0.00 ATOM 736 CZ TYR 93 2.091 -10.528 0.128 1.00 0.00 ATOM 737 OH TYR 93 2.351 -11.858 -0.210 1.00 0.00 ATOM 738 O TYR 93 1.883 -3.579 2.184 1.00 0.00 ATOM 739 C TYR 93 1.859 -4.071 1.056 1.00 0.00 ATOM 740 N ALA 94 1.347 -3.405 -0.001 1.00 0.00 ATOM 741 CA ALA 94 0.850 -2.081 0.229 1.00 0.00 ATOM 742 CB ALA 94 1.540 -1.064 -0.675 1.00 0.00 ATOM 743 O ALA 94 -1.069 -2.378 -1.142 1.00 0.00 ATOM 744 C ALA 94 -0.611 -2.054 -0.048 1.00 0.00 ATOM 745 N LYS 95 -1.374 -1.615 0.965 1.00 0.00 ATOM 746 CA LYS 95 -2.778 -1.406 0.813 1.00 0.00 ATOM 747 CB LYS 95 -3.511 -1.934 2.060 1.00 0.00 ATOM 748 CG LYS 95 -4.989 -1.590 2.158 1.00 0.00 ATOM 749 CD LYS 95 -5.704 -2.314 3.285 1.00 0.00 ATOM 750 CE LYS 95 -7.167 -2.031 3.437 1.00 0.00 ATOM 751 NZ LYS 95 -7.387 -0.590 3.800 1.00 0.00 ATOM 752 O LYS 95 -2.456 0.889 1.272 1.00 0.00 ATOM 753 C LYS 95 -2.843 0.042 0.470 1.00 0.00 ATOM 754 N GLY 96 -3.336 0.374 -0.736 1.00 0.00 ATOM 755 CA GLY 96 -3.257 1.754 -1.110 1.00 0.00 ATOM 756 O GLY 96 -5.519 1.692 -1.847 1.00 0.00 ATOM 757 C GLY 96 -4.618 2.327 -1.300 1.00 0.00 ATOM 758 N LEU 97 -4.781 3.583 -0.843 1.00 0.00 ATOM 759 CA LEU 97 -6.009 4.301 -0.968 1.00 0.00 ATOM 760 CB LEU 97 -6.705 4.409 0.365 1.00 0.00 ATOM 761 CG LEU 97 -7.976 5.264 0.357 1.00 0.00 ATOM 762 CD1 LEU 97 -9.042 4.660 -0.544 1.00 0.00 ATOM 763 CD2 LEU 97 -8.502 5.461 1.770 1.00 0.00 ATOM 764 O LEU 97 -4.602 6.192 -0.773 1.00 0.00 ATOM 765 C LEU 97 -5.636 5.764 -1.231 1.00 0.00 ATOM 766 N THR 98 -6.434 6.373 -2.053 1.00 0.00 ATOM 767 CA THR 98 -6.204 7.787 -2.336 1.00 0.00 ATOM 768 CB THR 98 -6.241 8.038 -3.831 1.00 0.00 ATOM 769 CG2 THR 98 -6.019 9.525 -4.105 1.00 0.00 ATOM 770 OG1 THR 98 -5.100 7.432 -4.436 1.00 0.00 ATOM 771 O THR 98 -8.481 8.319 -2.003 1.00 0.00 ATOM 772 C THR 98 -7.316 8.485 -1.641 1.00 0.00 ATOM 773 N CYS 99 -6.973 9.349 -0.670 1.00 0.00 ATOM 774 CA CYS 99 -7.998 10.037 0.047 1.00 0.00 ATOM 775 CB CYS 99 -7.627 10.203 1.526 1.00 0.00 ATOM 776 SG CYS 99 -8.813 11.170 2.477 1.00 0.00 ATOM 777 O CYS 99 -7.187 12.173 -0.571 1.00 0.00 ATOM 778 C CYS 99 -8.121 11.371 -0.594 1.00 0.00 ATOM 779 N LYS 100 -9.303 11.644 -1.171 1.00 0.00 ATOM 780 CA LYS 100 -9.512 12.904 -1.804 1.00 0.00 ATOM 781 CB LYS 100 -10.527 12.842 -2.956 1.00 0.00 ATOM 782 CG LYS 100 -10.074 11.962 -4.124 1.00 0.00 ATOM 783 CD LYS 100 -11.187 11.662 -5.132 1.00 0.00 ATOM 784 CE LYS 100 -10.757 10.744 -6.281 1.00 0.00 ATOM 785 NZ LYS 100 -9.780 11.439 -7.149 1.00 0.00 ATOM 786 O LYS 100 -10.711 13.464 0.168 1.00 0.00 ATOM 787 C LYS 100 -10.054 13.862 -0.793 1.00 0.00 ATOM 788 N ALA 101 -9.777 15.165 -0.984 1.00 0.00 ATOM 789 CA ALA 101 -10.269 16.145 -0.064 1.00 0.00 ATOM 790 CB ALA 101 -9.763 17.568 -0.358 1.00 0.00 ATOM 791 O ALA 101 -12.318 16.075 -1.257 1.00 0.00 ATOM 792 C ALA 101 -11.755 16.179 -0.171 1.00 0.00 ATOM 793 N ASP 102 -12.441 16.289 0.979 1.00 0.00 ATOM 794 CA ASP 102 -13.872 16.307 0.933 1.00 0.00 ATOM 795 CB ASP 102 -14.495 16.393 2.339 1.00 0.00 ATOM 796 CG ASP 102 -14.188 15.093 3.069 1.00 0.00 ATOM 797 OD1 ASP 102 -13.982 14.060 2.377 1.00 0.00 ATOM 798 OD2 ASP 102 -14.148 15.114 4.328 1.00 0.00 ATOM 799 O ASP 102 -15.008 17.381 -0.855 1.00 0.00 ATOM 800 C ASP 102 -14.295 17.504 0.141 1.00 0.00 ATOM 801 N THR 103 -13.843 18.751 0.556 1.00 0.00 ATOM 802 CA THR 103 -14.213 19.960 -0.120 1.00 0.00 ATOM 803 CB THR 103 -13.841 21.164 0.768 1.00 0.00 ATOM 804 CG2 THR 103 -14.214 22.434 0.039 1.00 0.00 ATOM 805 OG1 THR 103 -14.611 21.122 1.995 1.00 0.00 ATOM 806 O THR 103 -14.296 20.281 -2.470 1.00 0.00 ATOM 807 C THR 103 -13.594 20.059 -1.484 1.00 0.00 ATOM 808 N LEU 104 -12.256 19.880 -1.567 1.00 0.00 ATOM 809 CA LEU 104 -11.521 20.011 -2.800 1.00 0.00 ATOM 810 CB LEU 104 -9.989 19.966 -2.629 1.00 0.00 ATOM 811 CG LEU 104 -9.366 21.174 -1.905 1.00 0.00 ATOM 812 CD1 LEU 104 -9.662 22.482 -2.653 1.00 0.00 ATOM 813 CD2 LEU 104 -9.736 21.217 -0.419 1.00 0.00 ATOM 814 O LEU 104 -12.044 19.184 -4.962 1.00 0.00 ATOM 815 C LEU 104 -11.854 18.927 -3.776 1.00 0.00 ATOM 816 N SER 105 -11.976 17.683 -3.282 1.00 0.00 ATOM 817 CA SER 105 -12.180 16.544 -4.127 1.00 0.00 ATOM 818 CB SER 105 -13.362 16.746 -5.058 1.00 0.00 ATOM 819 OG SER 105 -14.557 16.906 -4.323 1.00 0.00 ATOM 820 O SER 105 -10.868 15.458 -5.788 1.00 0.00 ATOM 821 C SER 105 -10.906 16.285 -4.877 1.00 0.00 ATOM 822 N SER 106 -9.836 17.016 -4.369 1.00 0.00 ATOM 823 CA SER 106 -8.549 16.809 -4.975 1.00 0.00 ATOM 824 CB SER 106 -7.696 18.072 -4.860 1.00 0.00 ATOM 825 OG SER 106 -7.527 18.488 -3.554 1.00 0.00 ATOM 826 O SER 106 -8.553 15.039 -3.416 1.00 0.00 ATOM 827 C SER 106 -7.894 15.690 -4.224 1.00 0.00 ATOM 828 N CYS 107 -6.724 15.219 -4.700 1.00 0.00 ATOM 829 CA CYS 107 -6.074 14.140 -4.012 1.00 0.00 ATOM 830 CB CYS 107 -4.937 13.509 -4.824 1.00 0.00 ATOM 831 SG CYS 107 -5.504 12.815 -6.405 1.00 0.00 ATOM 832 O CYS 107 -4.432 15.315 -2.755 1.00 0.00 ATOM 833 C CYS 107 -5.502 14.709 -2.754 1.00 0.00 ATOM 834 N ASP 108 -6.227 14.512 -1.638 1.00 0.00 ATOM 835 CA ASP 108 -5.821 15.049 -0.375 1.00 0.00 ATOM 836 CB ASP 108 -6.861 14.753 0.718 1.00 0.00 ATOM 837 CG ASP 108 -6.408 15.396 2.015 1.00 0.00 ATOM 838 OD1 ASP 108 -5.460 16.225 1.966 1.00 0.00 ATOM 839 OD2 ASP 108 -7.006 15.070 3.076 1.00 0.00 ATOM 840 O ASP 108 -3.534 15.081 0.271 1.00 0.00 ATOM 841 C ASP 108 -4.541 14.407 0.051 1.00 0.00 ATOM 842 N TYR 109 -4.535 13.062 0.115 1.00 0.00 ATOM 843 CA TYR 109 -3.362 12.354 0.540 1.00 0.00 ATOM 844 CB TYR 109 -3.196 12.343 2.072 1.00 0.00 ATOM 845 CG TYR 109 -4.334 11.700 2.845 1.00 0.00 ATOM 846 CD1 TYR 109 -4.402 10.312 3.090 1.00 0.00 ATOM 847 CD2 TYR 109 -5.374 12.485 3.278 1.00 0.00 ATOM 848 CE1 TYR 109 -5.475 9.742 3.755 1.00 0.00 ATOM 849 CE2 TYR 109 -6.442 11.934 3.982 1.00 0.00 ATOM 850 CZ TYR 109 -6.499 10.547 4.215 1.00 0.00 ATOM 851 OH TYR 109 -7.592 10.000 4.909 1.00 0.00 ATOM 852 O TYR 109 -4.465 10.612 -0.640 1.00 0.00 ATOM 853 C TYR 109 -3.481 10.968 0.009 1.00 0.00 ATOM 854 N VAL 110 -2.330 10.253 0.337 1.00 0.00 ATOM 855 CA VAL 110 -2.446 8.872 0.003 1.00 0.00 ATOM 856 CB VAL 110 -1.394 8.362 -0.938 1.00 0.00 ATOM 857 CG1 VAL 110 -1.625 6.853 -1.146 1.00 0.00 ATOM 858 CG2 VAL 110 -1.456 9.181 -2.239 1.00 0.00 ATOM 859 O VAL 110 -1.495 8.441 2.134 1.00 0.00 ATOM 860 C VAL 110 -2.323 8.116 1.284 1.00 0.00 ATOM 861 N TYR 111 -3.150 7.071 1.455 1.00 0.00 ATOM 862 CA TYR 111 -3.046 6.292 2.652 1.00 0.00 ATOM 863 CB TYR 111 -4.434 6.016 3.228 1.00 0.00 ATOM 864 CG TYR 111 -4.511 5.019 4.373 1.00 0.00 ATOM 865 CD1 TYR 111 -4.290 5.424 5.683 1.00 0.00 ATOM 866 CD2 TYR 111 -4.845 3.688 4.143 1.00 0.00 ATOM 867 CE1 TYR 111 -4.389 4.527 6.744 1.00 0.00 ATOM 868 CE2 TYR 111 -4.942 2.766 5.210 1.00 0.00 ATOM 869 CZ TYR 111 -4.709 3.204 6.501 1.00 0.00 ATOM 870 OH TYR 111 -4.797 2.327 7.565 1.00 0.00 ATOM 871 O TYR 111 -2.823 4.401 1.208 1.00 0.00 ATOM 872 C TYR 111 -2.396 4.992 2.203 1.00 0.00 ATOM 873 N LEU 112 -1.397 4.625 2.887 1.00 0.00 ATOM 874 CA LEU 112 -0.724 3.379 2.522 1.00 0.00 ATOM 875 CB LEU 112 0.659 3.611 1.880 1.00 0.00 ATOM 876 CG LEU 112 1.434 2.409 1.341 1.00 0.00 ATOM 877 CD1 LEU 112 0.581 1.637 0.343 1.00 0.00 ATOM 878 CD2 LEU 112 2.715 2.902 0.683 1.00 0.00 ATOM 879 O LEU 112 -0.189 3.095 4.842 1.00 0.00 ATOM 880 C LEU 112 -0.658 2.589 3.835 1.00 0.00 ATOM 881 N ALA 113 -1.127 1.404 3.708 1.00 0.00 ATOM 882 CA ALA 113 -1.030 0.444 4.818 1.00 0.00 ATOM 883 CB ALA 113 -2.313 -0.362 5.076 1.00 0.00 ATOM 884 O ALA 113 -0.006 -1.154 3.402 1.00 0.00 ATOM 885 C ALA 113 0.036 -0.534 4.463 1.00 0.00 ATOM 886 N VAL 114 1.054 -0.676 5.330 1.00 0.00 ATOM 887 CA VAL 114 2.115 -1.568 4.977 1.00 0.00 ATOM 888 CB VAL 114 3.480 -0.975 5.164 1.00 0.00 ATOM 889 CG1 VAL 114 3.625 0.237 4.230 1.00 0.00 ATOM 890 CG2 VAL 114 3.672 -0.641 6.651 1.00 0.00 ATOM 891 O VAL 114 1.810 -2.671 7.052 1.00 0.00 ATOM 892 C VAL 114 2.036 -2.770 5.847 1.00 0.00 ATOM 893 N TYR 115 2.224 -3.956 5.238 1.00 0.00 ATOM 894 CA TYR 115 2.169 -5.160 6.006 1.00 0.00 ATOM 895 CB TYR 115 1.204 -6.200 5.417 1.00 0.00 ATOM 896 CG TYR 115 -0.154 -5.590 5.371 1.00 0.00 ATOM 897 CD1 TYR 115 -0.526 -4.800 4.309 1.00 0.00 ATOM 898 CD2 TYR 115 -1.055 -5.806 6.387 1.00 0.00 ATOM 899 CE1 TYR 115 -1.778 -4.234 4.262 1.00 0.00 ATOM 900 CE2 TYR 115 -2.309 -5.242 6.346 1.00 0.00 ATOM 901 CZ TYR 115 -2.670 -4.455 5.283 1.00 0.00 ATOM 902 OH TYR 115 -3.954 -3.874 5.240 1.00 0.00 ATOM 903 O TYR 115 4.009 -6.111 4.860 1.00 0.00 ATOM 904 C TYR 115 3.524 -5.783 5.943 1.00 0.00 ATOM 905 N PRO 116 4.253 -5.728 7.019 1.00 0.00 ATOM 906 CA PRO 116 5.517 -6.395 6.995 1.00 0.00 ATOM 907 CB PRO 116 6.231 -5.870 8.286 1.00 0.00 ATOM 908 CG PRO 116 5.637 -4.556 8.470 1.00 0.00 ATOM 909 CD PRO 116 4.143 -4.707 8.081 1.00 0.00 ATOM 910 O PRO 116 4.554 -8.393 7.775 1.00 0.00 ATOM 911 C PRO 116 5.326 -7.870 6.974 1.00 0.00 ATOM 912 N THR 117 6.015 -8.564 6.054 1.00 0.00 ATOM 913 CA THR 117 5.883 -9.983 5.995 1.00 0.00 ATOM 914 CB THR 117 5.124 -10.444 4.776 1.00 0.00 ATOM 915 CG2 THR 117 5.057 -11.980 4.784 1.00 0.00 ATOM 916 OG1 THR 117 3.816 -9.891 4.768 1.00 0.00 ATOM 917 O THR 117 7.571 -11.034 7.214 1.00 0.00 ATOM 918 C THR 117 7.275 -10.543 6.126 1.00 0.00 ATOM 919 N PRO 118 8.540 -10.451 5.415 1.00 0.00 ATOM 920 CA PRO 118 9.852 -10.898 5.786 1.00 0.00 ATOM 921 CB PRO 118 10.588 -11.256 4.496 1.00 0.00 ATOM 922 CG PRO 118 9.454 -11.652 3.543 1.00 0.00 ATOM 923 CD PRO 118 8.258 -10.824 4.032 1.00 0.00 ATOM 924 O PRO 118 10.152 -8.681 6.516 1.00 0.00 ATOM 925 C PRO 118 10.549 -9.845 6.581 1.00 0.00 ATOM 926 N GLU 119 11.499 -10.269 7.433 1.00 0.00 ATOM 927 CA GLU 119 12.241 -9.391 8.285 1.00 0.00 ATOM 928 CB GLU 119 12.916 -10.110 9.460 1.00 0.00 ATOM 929 CG GLU 119 11.909 -10.723 10.433 1.00 0.00 ATOM 930 CD GLU 119 12.681 -11.410 11.550 1.00 0.00 ATOM 931 OE1 GLU 119 13.236 -10.684 12.416 1.00 0.00 ATOM 932 OE2 GLU 119 12.728 -12.669 11.547 1.00 0.00 ATOM 933 O GLU 119 13.288 -8.802 6.252 1.00 0.00 ATOM 934 C GLU 119 13.301 -8.728 7.480 1.00 0.00 ATOM 935 N MET 120 14.079 -7.849 8.134 1.00 0.00 ATOM 936 CA MET 120 15.072 -7.138 7.395 1.00 0.00 ATOM 937 CB MET 120 15.848 -6.117 8.242 1.00 0.00 ATOM 938 CG MET 120 14.976 -4.955 8.719 1.00 0.00 ATOM 939 SD MET 120 15.823 -3.773 9.809 1.00 0.00 ATOM 940 CE MET 120 15.830 -4.880 11.247 1.00 0.00 ATOM 941 O MET 120 16.606 -8.951 7.522 1.00 0.00 ATOM 942 C MET 120 16.053 -8.102 6.824 1.00 0.00 ATOM 943 N LYS 121 16.239 -8.010 5.494 1.00 0.00 ATOM 944 CA LYS 121 17.183 -8.831 4.809 1.00 0.00 ATOM 945 CB LYS 121 16.575 -9.630 3.643 1.00 0.00 ATOM 946 CG LYS 121 15.636 -10.740 4.114 1.00 0.00 ATOM 947 CD LYS 121 16.323 -11.750 5.037 1.00 0.00 ATOM 948 CE LYS 121 15.387 -12.826 5.589 1.00 0.00 ATOM 949 NZ LYS 121 16.151 -13.749 6.458 1.00 0.00 ATOM 950 O LYS 121 17.944 -6.786 3.880 1.00 0.00 ATOM 951 C LYS 121 18.223 -7.932 4.234 1.00 0.00 ATOM 952 N ASN 122 19.436 -8.393 4.229 1.00 0.00 ATOM 953 CA ASN 122 20.585 -7.610 3.713 1.00 0.00 ATOM 954 CB ASN 122 20.499 -7.510 2.177 1.00 0.00 ATOM 955 CG ASN 122 21.826 -7.106 1.562 1.00 0.00 ATOM 956 ND2 ASN 122 21.856 -6.488 0.393 1.00 0.00 ATOM 957 OD1 ASN 122 22.874 -7.371 2.154 1.00 0.00 ATOM 958 O ASN 122 20.634 -5.180 3.654 1.00 0.00 ATOM 959 C ASN 122 20.632 -6.224 4.314 1.00 0.00 TER END