PFRMAT TS TARGET T0271 AUTHOR 4204-4258-2837 METHOD The SAM-T04 human predictions for CASP6 use a very similar method to METHOD the SAM-T02 method in CASP5. METHOD METHOD We start with a fully automated method: METHOD METHOD Use the SAM-T2K and SAM-T04 methods for finding homologs of the METHOD target and aligning them. METHOD METHOD Make local structure predictions using neural nets and the METHOD multiple alignments. Different neural nets are used for the METHOD SAM-T2K alignments and the SAM-T04 alignments. METHOD We currently use 7 local-structure alphabets: METHOD DSSP METHOD STRIDE METHOD STR2 an extended version of DSSP that splits the beta strands METHOD into multiple classes (parallel/antiparallel/mixed, METHOD edge/center) METHOD ALPHA an discretization of the alpha torsion angle: METHOD CA(i-i), CA(i), CA(i+1), CA(i+2) METHOD BYS a discretization of Ramachandran plots, due to Bystroff METHOD CB_burial_14_7 a 7-state discretization of the number of C_beta METHOD atoms in a 14 Angstrom radius sphere around the C_beta. METHOD DSSP_EHL2 CASP's collapse of the DSSP alphabet METHOD DSSP_EHL2 is not predicted directly by a METHOD neural net, but is computed as a weighted METHOD average of the other backbone alphabet predictions. METHOD METHOD We make 2-track HMMs with each alphabet (1.0 amino acid + 0.3 local structure) METHOD and use them to score a template library of 6400 (t04) or 9900 (t2k) templates METHOD We also used a single-track HMM to score not just the template METHOD library, but a non-redundant copy of the entire PDB. METHOD METHOD We also made a few 3-track HMMs (AA, str2, CB_burial_14_7) for METHOD finding and aligning more remote homologs. METHOD METHOD One-track HMMs built from the template library multiple alignments METHOD were used to score the target sequence (for early targets, only METHOD t2k template library was searched this way). METHOD METHOD All the logs of e-values were combined in a weighted average (with METHOD rather arbitrary weights, since we did not have time to METHOD optimize them), and the best templates ranked. Ranking was METHOD separate for predictions from the t2k and t04 multiple alignments. METHOD METHOD Alignments of the target to the top templates were made using METHOD several different alignment methods (mainly using the SAM hmmscore METHOD program, but a few alignments were made with Bob Edgar's MUSCLE METHOD profile-profile aligner). METHOD METHOD Generate fragments (short 9-residue alignments for each position) METHOD using SAM's "fragfinder" program and the 3-track HMM. METHOD METHOD Then the "undertaker" program (named because it optimizes burial) METHOD is used to try to combine the alignments and the fragments into METHOD a consistent 3D model. No single alignment or parent template METHOD was used, though in many cases one had much more influence than METHOD the others. The alignment scores were not passed to undertaker, METHOD but were used only to pick the set of alignments and fragments METHOD that undertaker would see. METHOD METHOD After the initial automatic run was finished, the results were METHOD examined by hand, and various tweaks were made to the undertaker METHOD cost function to improve the models. Many of the tweaks consisted of METHOD adding specific Hbonds, SSbonds, or distance constraints, to make the METHOD model look better to us. METHOD METHOD Undertaker uses a genetic algorithm with about 28 different operators METHOD to minimize its cost function. The cost function has many components, METHOD including various definitions of burial and compactness, sidechain METHOD rotamer preferences, steric clashes, chain breaks, predicted local METHOD backbone conformation, hydrogen bonding, disulfide bonds, and user METHOD specified constraints. The relative weights of these components were METHOD tweaked for each target, as we have not found a generally applicable METHOD set of weights. METHOD METHOD Because undertaker does not (yet) handle multimers, we sometimes added METHOD "scaffolding" constraints by hand to try to retain structure in METHOD dimerization interfaces. METHOD METHOD For multiple-domain models, we generally broke the sequence into METHOD chunks (often somewhat arbitrary overlapping chunks), and did the full METHOD method for each subchain. The alignments found were all tossed into METHOD the undertaker conformation search. In some cases, we performed METHOD undertaker runs for the subchains, and cut-and-pasted the pieces into METHOD one PDB file (with bad breaks) and let undertaker try to assemble the METHOD pieces. METHOD METHOD This model was created by alignment to the best template (1rlhA) with sidechains METHOD repacked by SCWRL. METHOD METHOD The alignment was created by a 3-track HMM: METHOD T0271-1rlhA-t2k-local-str2+CB_burial_14_7-0.4+0.4-adpstyle5 best template METHOD METHOD REMARK 6 REMARK 6 T0271 model 4 Sun Aug 15 15:25:14 2004 MODEL 4 PARENT 1rlh_A ATOM 2 N ILE 6 -3.272 0.707 -13.921 1.00 0.00 ATOM 3 CA ILE 6 -2.362 1.764 -13.505 1.00 0.00 ATOM 4 CB ILE 6 -3.111 2.906 -12.795 1.00 0.00 ATOM 5 CG1 ILE 6 -4.121 3.553 -13.743 1.00 0.00 ATOM 6 CG2 ILE 6 -2.134 3.975 -12.330 1.00 0.00 ATOM 7 CD1 ILE 6 -3.497 4.157 -14.982 1.00 0.00 ATOM 8 O ILE 6 -1.632 0.736 -11.465 1.00 0.00 ATOM 9 C ILE 6 -1.312 1.232 -12.545 1.00 0.00 ATOM 10 N PRO 7 -0.054 1.339 -12.944 1.00 0.00 ATOM 11 CA PRO 7 1.037 0.878 -12.109 1.00 0.00 ATOM 12 CB PRO 7 2.219 0.763 -13.073 1.00 0.00 ATOM 13 CG PRO 7 1.934 1.773 -14.135 1.00 0.00 ATOM 14 CD PRO 7 0.438 1.805 -14.288 1.00 0.00 ATOM 15 O PRO 7 1.273 3.104 -11.262 1.00 0.00 ATOM 16 C PRO 7 1.282 1.901 -11.014 1.00 0.00 ATOM 17 N ILE 8 1.486 1.416 -9.796 1.00 0.00 ATOM 18 CA ILE 8 1.730 2.293 -8.664 1.00 0.00 ATOM 19 CB ILE 8 1.191 1.689 -7.354 1.00 0.00 ATOM 20 CG1 ILE 8 -0.314 1.432 -7.465 1.00 0.00 ATOM 21 CG2 ILE 8 1.434 2.637 -6.191 1.00 0.00 ATOM 22 CD1 ILE 8 -1.125 2.676 -7.755 1.00 0.00 ATOM 23 O ILE 8 4.036 1.642 -8.593 1.00 0.00 ATOM 24 C ILE 8 3.214 2.550 -8.466 1.00 0.00 ATOM 25 N GLU 9 3.546 3.799 -8.160 1.00 0.00 ATOM 26 CA GLU 9 4.922 4.179 -7.893 1.00 0.00 ATOM 27 CB GLU 9 5.116 5.680 -8.118 1.00 0.00 ATOM 28 CG GLU 9 4.962 6.115 -9.566 1.00 0.00 ATOM 29 CD GLU 9 5.212 7.599 -9.759 1.00 0.00 ATOM 30 OE1 GLU 9 5.488 8.290 -8.756 1.00 0.00 ATOM 31 OE2 GLU 9 5.130 8.069 -10.913 1.00 0.00 ATOM 32 O GLU 9 4.538 4.351 -5.529 1.00 0.00 ATOM 33 C GLU 9 5.175 3.812 -6.436 1.00 0.00 ATOM 34 N LYS 10 6.083 2.870 -6.217 1.00 0.00 ATOM 35 CA LYS 10 6.422 2.440 -4.870 1.00 0.00 ATOM 36 CB LYS 10 6.013 0.982 -4.655 1.00 0.00 ATOM 37 CG LYS 10 6.298 0.457 -3.257 1.00 0.00 ATOM 38 CD LYS 10 5.873 -0.994 -3.114 1.00 0.00 ATOM 39 CE LYS 10 4.395 -1.170 -3.424 1.00 0.00 ATOM 40 NZ LYS 10 4.077 -0.818 -4.835 1.00 0.00 ATOM 41 O LYS 10 8.698 1.735 -5.149 1.00 0.00 ATOM 42 C LYS 10 7.928 2.584 -4.699 1.00 0.00 ATOM 43 N PRO 11 8.371 3.681 -4.064 1.00 0.00 ATOM 44 CA PRO 11 9.802 3.913 -3.847 1.00 0.00 ATOM 45 CB PRO 11 9.847 5.208 -3.032 1.00 0.00 ATOM 46 CG PRO 11 8.562 5.895 -3.351 1.00 0.00 ATOM 47 CD PRO 11 7.535 4.809 -3.504 1.00 0.00 ATOM 48 O PRO 11 9.784 2.076 -2.302 1.00 0.00 ATOM 49 C PRO 11 10.445 2.757 -3.086 1.00 0.00 ATOM 50 N GLU 12 11.736 2.542 -3.322 1.00 0.00 ATOM 51 CA GLU 12 12.465 1.453 -2.679 1.00 0.00 ATOM 52 CB GLU 12 13.973 1.675 -2.797 1.00 0.00 ATOM 53 CG GLU 12 14.814 0.569 -2.180 1.00 0.00 ATOM 54 CD GLU 12 16.303 0.821 -2.322 1.00 0.00 ATOM 55 OE1 GLU 12 16.677 1.808 -2.988 1.00 0.00 ATOM 56 OE2 GLU 12 17.095 0.030 -1.766 1.00 0.00 ATOM 57 O GLU 12 12.169 2.272 -0.439 1.00 0.00 ATOM 58 C GLU 12 12.162 1.299 -1.188 1.00 0.00 ATOM 59 N ASN 13 11.901 0.059 -0.777 1.00 0.00 ATOM 60 CA ASN 13 11.611 -0.286 0.613 1.00 0.00 ATOM 61 CB ASN 13 12.738 0.194 1.531 1.00 0.00 ATOM 62 CG ASN 13 14.028 -0.574 1.317 1.00 0.00 ATOM 63 ND2 ASN 13 15.156 0.090 1.543 1.00 0.00 ATOM 64 OD1 ASN 13 14.008 -1.752 0.955 1.00 0.00 ATOM 65 O ASN 13 10.116 0.241 2.402 1.00 0.00 ATOM 66 C ASN 13 10.331 0.308 1.194 1.00 0.00 ATOM 67 N LEU 14 9.482 0.885 0.352 1.00 0.00 ATOM 68 CA LEU 14 8.244 1.470 0.850 1.00 0.00 ATOM 69 CB LEU 14 7.844 2.680 0.003 1.00 0.00 ATOM 70 CG LEU 14 8.838 3.844 -0.024 1.00 0.00 ATOM 71 CD1 LEU 14 8.358 4.938 -0.965 1.00 0.00 ATOM 72 CD2 LEU 14 8.997 4.448 1.364 1.00 0.00 ATOM 73 O LEU 14 7.062 -0.443 0.001 1.00 0.00 ATOM 74 C LEU 14 7.085 0.480 0.811 1.00 0.00 ATOM 75 N ASN 15 6.132 0.679 1.714 1.00 0.00 ATOM 76 CA ASN 15 4.941 -0.151 1.782 1.00 0.00 ATOM 77 CB ASN 15 4.735 -0.678 3.203 1.00 0.00 ATOM 78 CG ASN 15 5.825 -1.641 3.632 1.00 0.00 ATOM 79 ND2 ASN 15 6.087 -1.697 4.932 1.00 0.00 ATOM 80 OD1 ASN 15 6.423 -2.325 2.802 1.00 0.00 ATOM 81 O ASN 15 3.766 1.925 1.775 1.00 0.00 ATOM 82 C ASN 15 3.811 0.768 1.364 1.00 0.00 ATOM 83 N VAL 16 2.898 0.254 0.552 1.00 0.00 ATOM 84 CA VAL 16 1.796 1.065 0.077 1.00 0.00 ATOM 85 CB VAL 16 1.759 1.121 -1.462 1.00 0.00 ATOM 86 CG1 VAL 16 0.551 1.912 -1.937 1.00 0.00 ATOM 87 CG2 VAL 16 3.014 1.791 -2.000 1.00 0.00 ATOM 88 O VAL 16 0.231 -0.656 0.670 1.00 0.00 ATOM 89 C VAL 16 0.438 0.549 0.521 1.00 0.00 ATOM 90 N ILE 17 -0.469 1.487 0.763 1.00 0.00 ATOM 91 CA ILE 17 -1.840 1.170 1.129 1.00 0.00 ATOM 92 CB ILE 17 -2.131 1.534 2.597 1.00 0.00 ATOM 93 CG1 ILE 17 -1.213 0.747 3.534 1.00 0.00 ATOM 94 CG2 ILE 17 -3.574 1.209 2.951 1.00 0.00 ATOM 95 CD1 ILE 17 -1.286 1.194 4.978 1.00 0.00 ATOM 96 O ILE 17 -2.549 3.212 0.087 1.00 0.00 ATOM 97 C ILE 17 -2.713 1.995 0.190 1.00 0.00 ATOM 98 N LEU 18 -3.619 1.328 -0.514 1.00 0.00 ATOM 99 CA LEU 18 -4.527 2.018 -1.421 1.00 0.00 ATOM 100 CB LEU 18 -4.307 1.546 -2.861 1.00 0.00 ATOM 101 CG LEU 18 -5.240 2.142 -3.918 1.00 0.00 ATOM 102 CD1 LEU 18 -4.988 3.632 -4.079 1.00 0.00 ATOM 103 CD2 LEU 18 -5.017 1.473 -5.266 1.00 0.00 ATOM 104 O LEU 18 -6.236 0.501 -0.722 1.00 0.00 ATOM 105 C LEU 18 -5.926 1.667 -0.943 1.00 0.00 ATOM 106 N GLY 19 -6.769 2.674 -0.766 1.00 0.00 ATOM 107 CA GLY 19 -8.110 2.386 -0.291 1.00 0.00 ATOM 108 O GLY 19 -8.910 4.292 -1.502 1.00 0.00 ATOM 109 C GLY 19 -9.170 3.369 -0.727 1.00 0.00 ATOM 110 N GLN 20 -10.375 3.146 -0.211 1.00 0.00 ATOM 111 CA GLN 20 -11.547 3.968 -0.498 1.00 0.00 ATOM 112 CB GLN 20 -12.658 3.117 -1.118 1.00 0.00 ATOM 113 CG GLN 20 -13.910 3.899 -1.477 1.00 0.00 ATOM 114 CD GLN 20 -14.977 3.030 -2.114 1.00 0.00 ATOM 115 OE1 GLN 20 -14.863 1.805 -2.133 1.00 0.00 ATOM 116 NE2 GLN 20 -16.020 3.664 -2.637 1.00 0.00 ATOM 117 O GLN 20 -12.310 3.823 1.762 1.00 0.00 ATOM 118 C GLN 20 -12.022 4.566 0.827 1.00 0.00 ATOM 119 N ALA 21 -12.102 5.891 0.914 1.00 0.00 ATOM 120 CA ALA 21 -12.537 6.539 2.150 1.00 0.00 ATOM 121 CB ALA 21 -12.060 7.982 2.190 1.00 0.00 ATOM 122 O ALA 21 -14.788 6.586 1.300 1.00 0.00 ATOM 123 C ALA 21 -14.062 6.556 2.295 1.00 0.00 ATOM 124 N HIS 22 -14.535 6.529 3.541 1.00 0.00 ATOM 125 CA HIS 22 -15.969 6.553 3.837 1.00 0.00 ATOM 126 CB HIS 22 -16.330 5.444 4.826 1.00 0.00 ATOM 127 CG HIS 22 -16.171 4.063 4.271 1.00 0.00 ATOM 128 CD2 HIS 22 -15.821 3.499 2.975 1.00 0.00 ATOM 129 ND1 HIS 22 -16.367 2.929 5.029 1.00 0.00 ATOM 130 CE1 HIS 22 -16.154 1.846 4.259 1.00 0.00 ATOM 131 NE2 HIS 22 -15.827 2.181 3.026 1.00 0.00 ATOM 132 O HIS 22 -15.951 8.205 5.575 1.00 0.00 ATOM 133 C HIS 22 -16.346 7.898 4.447 1.00 0.00 ATOM 134 N PHE 23 -17.116 8.685 3.704 1.00 0.00 ATOM 135 CA PHE 23 -17.576 9.996 4.154 1.00 0.00 ATOM 136 CB PHE 23 -18.539 9.849 5.334 1.00 0.00 ATOM 137 CG PHE 23 -19.733 8.988 5.038 1.00 0.00 ATOM 138 CD1 PHE 23 -19.785 7.677 5.477 1.00 0.00 ATOM 139 CD2 PHE 23 -20.805 9.489 4.320 1.00 0.00 ATOM 140 CE1 PHE 23 -20.884 6.885 5.205 1.00 0.00 ATOM 141 CE2 PHE 23 -21.905 8.697 4.048 1.00 0.00 ATOM 142 CZ PHE 23 -21.946 7.399 4.487 1.00 0.00 ATOM 143 O PHE 23 -16.748 11.889 5.372 1.00 0.00 ATOM 144 C PHE 23 -16.477 10.946 4.626 1.00 0.00 ATOM 145 N ILE 24 -15.244 10.699 4.196 1.00 0.00 ATOM 146 CA ILE 24 -14.124 11.561 4.561 1.00 0.00 ATOM 147 CB ILE 24 -12.790 10.791 4.548 1.00 0.00 ATOM 148 CG1 ILE 24 -12.810 9.676 5.596 1.00 0.00 ATOM 149 CG2 ILE 24 -11.632 11.726 4.862 1.00 0.00 ATOM 150 CD1 ILE 24 -11.657 8.703 5.473 1.00 0.00 ATOM 151 O ILE 24 -14.196 12.464 2.339 1.00 0.00 ATOM 152 C ILE 24 -14.063 12.696 3.542 1.00 0.00 ATOM 153 N LYS 25 -13.866 13.919 4.027 1.00 0.00 ATOM 154 CA LYS 25 -13.805 15.086 3.150 1.00 0.00 ATOM 155 CB LYS 25 -14.755 16.178 3.646 1.00 0.00 ATOM 156 CG LYS 25 -16.219 15.772 3.650 1.00 0.00 ATOM 157 CD LYS 25 -17.107 16.912 4.122 1.00 0.00 ATOM 158 CE LYS 25 -18.573 16.509 4.121 1.00 0.00 ATOM 159 NZ LYS 25 -19.445 17.581 4.672 1.00 0.00 ATOM 160 O LYS 25 -12.078 16.420 2.162 1.00 0.00 ATOM 161 C LYS 25 -12.406 15.682 3.091 1.00 0.00 ATOM 162 N THR 26 -11.586 15.366 4.090 1.00 0.00 ATOM 163 CA THR 26 -10.227 15.890 4.155 1.00 0.00 ATOM 164 CB THR 26 -10.094 16.986 5.230 1.00 0.00 ATOM 165 CG2 THR 26 -11.056 18.130 4.945 1.00 0.00 ATOM 166 OG1 THR 26 -10.397 16.435 6.518 1.00 0.00 ATOM 167 O THR 26 -9.469 13.881 5.239 1.00 0.00 ATOM 168 C THR 26 -9.193 14.820 4.494 1.00 0.00 ATOM 169 N VAL 27 -7.997 14.978 3.938 1.00 0.00 ATOM 170 CA VAL 27 -6.915 14.033 4.162 1.00 0.00 ATOM 171 CB VAL 27 -5.726 14.302 3.221 1.00 0.00 ATOM 172 CG1 VAL 27 -4.944 15.522 3.685 1.00 0.00 ATOM 173 CG2 VAL 27 -4.784 13.108 3.197 1.00 0.00 ATOM 174 O VAL 27 -5.648 13.222 6.031 1.00 0.00 ATOM 175 C VAL 27 -6.382 14.107 5.594 1.00 0.00 ATOM 176 N GLU 28 -6.757 15.152 6.328 1.00 0.00 ATOM 177 CA GLU 28 -6.291 15.304 7.705 1.00 0.00 ATOM 178 CB GLU 28 -6.806 16.616 8.302 1.00 0.00 ATOM 179 CG GLU 28 -6.154 17.861 7.721 1.00 0.00 ATOM 180 CD GLU 28 -6.754 19.141 8.268 1.00 0.00 ATOM 181 OE1 GLU 28 -7.726 19.056 9.046 1.00 0.00 ATOM 182 OE2 GLU 28 -6.252 20.230 7.917 1.00 0.00 ATOM 183 O GLU 28 -6.115 13.725 9.502 1.00 0.00 ATOM 184 C GLU 28 -6.793 14.151 8.571 1.00 0.00 ATOM 185 N ASP 29 -7.987 13.654 8.260 1.00 0.00 ATOM 186 CA ASP 29 -8.570 12.538 9.001 1.00 0.00 ATOM 187 CB ASP 29 -9.925 12.150 8.404 1.00 0.00 ATOM 188 CG ASP 29 -11.007 13.168 8.704 1.00 0.00 ATOM 189 OD1 ASP 29 -10.777 14.044 9.563 1.00 0.00 ATOM 190 OD2 ASP 29 -12.086 13.088 8.078 1.00 0.00 ATOM 191 O ASP 29 -7.355 10.691 9.939 1.00 0.00 ATOM 192 C ASP 29 -7.633 11.340 8.930 1.00 0.00 ATOM 193 N LEU 30 -7.150 11.051 7.727 1.00 0.00 ATOM 194 CA LEU 30 -6.237 9.934 7.523 1.00 0.00 ATOM 195 CB LEU 30 -6.026 9.681 6.027 1.00 0.00 ATOM 196 CG LEU 30 -7.229 9.133 5.257 1.00 0.00 ATOM 197 CD1 LEU 30 -6.940 9.099 3.764 1.00 0.00 ATOM 198 CD2 LEU 30 -7.559 7.718 5.710 1.00 0.00 ATOM 199 O LEU 30 -4.290 9.374 8.805 1.00 0.00 ATOM 200 C LEU 30 -4.887 10.232 8.157 1.00 0.00 ATOM 201 N HIS 31 -4.410 11.456 7.962 1.00 0.00 ATOM 202 CA HIS 31 -3.126 11.863 8.517 1.00 0.00 ATOM 203 CB HIS 31 -2.861 13.342 8.223 1.00 0.00 ATOM 204 CG HIS 31 -1.556 13.840 8.760 1.00 0.00 ATOM 205 CD2 HIS 31 -1.147 14.714 9.851 1.00 0.00 ATOM 206 ND1 HIS 31 -0.343 13.487 8.211 1.00 0.00 ATOM 207 CE1 HIS 31 0.643 14.087 8.903 1.00 0.00 ATOM 208 NE2 HIS 31 0.167 14.825 9.888 1.00 0.00 ATOM 209 O HIS 31 -2.109 11.208 10.592 1.00 0.00 ATOM 210 C HIS 31 -3.105 11.663 10.028 1.00 0.00 ATOM 211 N GLU 32 -4.213 11.993 10.679 1.00 0.00 ATOM 212 CA GLU 32 -4.307 11.880 12.127 1.00 0.00 ATOM 213 CB GLU 32 -5.487 12.700 12.653 1.00 0.00 ATOM 214 CG GLU 32 -5.315 14.202 12.504 1.00 0.00 ATOM 215 CD GLU 32 -6.529 14.977 12.977 1.00 0.00 ATOM 216 OE1 GLU 32 -7.529 14.337 13.366 1.00 0.00 ATOM 217 OE2 GLU 32 -6.482 16.225 12.960 1.00 0.00 ATOM 218 O GLU 32 -3.857 10.026 13.579 1.00 0.00 ATOM 219 C GLU 32 -4.509 10.454 12.628 1.00 0.00 ATOM 220 N ALA 33 -5.407 9.718 11.983 1.00 0.00 ATOM 221 CA ALA 33 -5.700 8.355 12.402 1.00 0.00 ATOM 222 CB ALA 33 -6.766 7.742 11.508 1.00 0.00 ATOM 223 O ALA 33 -4.401 6.463 13.098 1.00 0.00 ATOM 224 C ALA 33 -4.482 7.433 12.345 1.00 0.00 ATOM 225 N LEU 34 -3.532 7.738 11.467 1.00 0.00 ATOM 226 CA LEU 34 -2.333 6.911 11.350 1.00 0.00 ATOM 227 CB LEU 34 -2.039 6.600 9.881 1.00 0.00 ATOM 228 CG LEU 34 -3.116 5.821 9.123 1.00 0.00 ATOM 229 CD1 LEU 34 -2.751 5.689 7.653 1.00 0.00 ATOM 230 CD2 LEU 34 -3.275 4.422 9.701 1.00 0.00 ATOM 231 O LEU 34 -0.010 7.036 11.930 1.00 0.00 ATOM 232 C LEU 34 -1.104 7.601 11.931 1.00 0.00 ATOM 233 N VAL 35 -1.286 8.820 12.426 1.00 0.00 ATOM 234 CA VAL 35 -0.174 9.584 12.974 1.00 0.00 ATOM 235 CB VAL 35 -0.656 10.890 13.634 1.00 0.00 ATOM 236 CG1 VAL 35 0.484 11.562 14.381 1.00 0.00 ATOM 237 CG2 VAL 35 -1.180 11.856 12.583 1.00 0.00 ATOM 238 O VAL 35 1.845 8.763 13.970 1.00 0.00 ATOM 239 C VAL 35 0.620 8.837 14.044 1.00 0.00 ATOM 240 N THR 36 -0.075 8.284 15.032 1.00 0.00 ATOM 241 CA THR 36 0.585 7.565 16.121 1.00 0.00 ATOM 242 CB THR 36 -0.420 7.142 17.209 1.00 0.00 ATOM 243 CG2 THR 36 -1.114 8.363 17.794 1.00 0.00 ATOM 244 OG1 THR 36 -1.408 6.275 16.640 1.00 0.00 ATOM 245 O THR 36 2.159 5.778 16.384 1.00 0.00 ATOM 246 C THR 36 1.290 6.287 15.678 1.00 0.00 ATOM 247 N ALA 37 0.923 5.772 14.509 1.00 0.00 ATOM 248 CA ALA 37 1.524 4.543 14.003 1.00 0.00 ATOM 249 CB ALA 37 0.506 3.746 13.200 1.00 0.00 ATOM 250 O ALA 37 3.531 3.885 12.863 1.00 0.00 ATOM 251 C ALA 37 2.720 4.782 13.087 1.00 0.00 ATOM 252 N VAL 38 2.836 5.997 12.565 1.00 0.00 ATOM 253 CA VAL 38 3.942 6.338 11.682 1.00 0.00 ATOM 254 CB VAL 38 3.473 7.206 10.499 1.00 0.00 ATOM 255 CG1 VAL 38 2.431 6.465 9.675 1.00 0.00 ATOM 256 CG2 VAL 38 2.855 8.502 11.001 1.00 0.00 ATOM 257 O VAL 38 6.039 7.502 11.636 1.00 0.00 ATOM 258 C VAL 38 5.090 7.129 12.325 1.00 0.00 ATOM 259 N PRO 39 5.028 7.394 13.646 1.00 0.00 ATOM 260 CA PRO 39 6.124 8.148 14.261 1.00 0.00 ATOM 261 CB PRO 39 5.720 8.253 15.733 1.00 0.00 ATOM 262 CG PRO 39 4.788 7.108 15.948 1.00 0.00 ATOM 263 CD PRO 39 4.051 6.922 14.650 1.00 0.00 ATOM 264 O PRO 39 7.518 6.206 14.222 1.00 0.00 ATOM 265 C PRO 39 7.452 7.429 14.105 1.00 0.00 ATOM 266 N GLY 40 8.505 8.189 13.842 1.00 0.00 ATOM 267 CA GLY 40 9.812 7.585 13.682 1.00 0.00 ATOM 268 O GLY 40 11.177 6.703 11.933 1.00 0.00 ATOM 269 C GLY 40 10.051 7.065 12.281 1.00 0.00 ATOM 270 N ILE 41 8.994 7.026 11.474 1.00 0.00 ATOM 271 CA ILE 41 9.110 6.547 10.102 1.00 0.00 ATOM 272 CB ILE 41 8.102 5.419 9.812 1.00 0.00 ATOM 273 CG1 ILE 41 6.668 5.928 9.980 1.00 0.00 ATOM 274 CG2 ILE 41 8.314 4.255 10.768 1.00 0.00 ATOM 275 CD1 ILE 41 5.615 4.958 9.495 1.00 0.00 ATOM 276 O ILE 41 8.428 8.768 9.502 1.00 0.00 ATOM 277 C ILE 41 8.844 7.676 9.117 1.00 0.00 ATOM 278 N ARG 42 9.104 7.409 7.842 1.00 0.00 ATOM 279 CA ARG 42 8.874 8.390 6.792 1.00 0.00 ATOM 280 CB ARG 42 10.055 8.421 5.821 1.00 0.00 ATOM 281 CG ARG 42 11.353 8.917 6.438 1.00 0.00 ATOM 282 CD ARG 42 12.472 8.962 5.410 1.00 0.00 ATOM 283 NE ARG 42 13.758 9.300 6.016 1.00 0.00 ATOM 284 CZ ARG 42 14.895 9.421 5.337 1.00 0.00 ATOM 285 NH1 ARG 42 16.016 9.731 5.971 1.00 0.00 ATOM 286 NH2 ARG 42 14.907 9.230 4.025 1.00 0.00 ATOM 287 O ARG 42 7.418 6.770 5.801 1.00 0.00 ATOM 288 C ARG 42 7.605 7.956 6.077 1.00 0.00 ATOM 289 N PHE 43 6.728 8.905 5.775 1.00 0.00 ATOM 290 CA PHE 43 5.480 8.552 5.118 1.00 0.00 ATOM 291 CB PHE 43 4.411 8.195 6.154 1.00 0.00 ATOM 292 CG PHE 43 4.041 9.335 7.058 1.00 0.00 ATOM 293 CD1 PHE 43 2.974 10.164 6.751 1.00 0.00 ATOM 294 CD2 PHE 43 4.757 9.581 8.217 1.00 0.00 ATOM 295 CE1 PHE 43 2.633 11.213 7.584 1.00 0.00 ATOM 296 CE2 PHE 43 4.416 10.629 9.049 1.00 0.00 ATOM 297 CZ PHE 43 3.359 11.444 8.736 1.00 0.00 ATOM 298 O PHE 43 5.368 10.815 4.316 1.00 0.00 ATOM 299 C PHE 43 4.915 9.671 4.264 1.00 0.00 ATOM 300 N GLY 44 3.908 9.313 3.481 1.00 0.00 ATOM 301 CA GLY 44 3.238 10.266 2.626 1.00 0.00 ATOM 302 O GLY 44 1.544 8.585 2.587 1.00 0.00 ATOM 303 C GLY 44 1.808 9.787 2.481 1.00 0.00 ATOM 304 N LEU 45 0.884 10.716 2.266 1.00 0.00 ATOM 305 CA LEU 45 -0.519 10.372 2.084 1.00 0.00 ATOM 306 CB LEU 45 -1.308 10.644 3.365 1.00 0.00 ATOM 307 CG LEU 45 -2.818 10.407 3.296 1.00 0.00 ATOM 308 CD1 LEU 45 -3.123 8.924 3.147 1.00 0.00 ATOM 309 CD2 LEU 45 -3.500 10.908 4.559 1.00 0.00 ATOM 310 O LEU 45 -0.871 12.415 0.890 1.00 0.00 ATOM 311 C LEU 45 -1.102 11.208 0.957 1.00 0.00 ATOM 312 N ALA 46 -1.860 10.556 0.081 1.00 0.00 ATOM 313 CA ALA 46 -2.513 11.235 -1.025 1.00 0.00 ATOM 314 CB ALA 46 -1.969 10.728 -2.353 1.00 0.00 ATOM 315 O ALA 46 -4.377 9.824 -0.569 1.00 0.00 ATOM 316 C ALA 46 -3.998 10.939 -0.921 1.00 0.00 ATOM 317 N PHE 47 -4.839 11.926 -1.221 1.00 0.00 ATOM 318 CA PHE 47 -6.291 11.756 -1.128 1.00 0.00 ATOM 319 CB PHE 47 -6.824 12.386 0.160 1.00 0.00 ATOM 320 CG PHE 47 -8.307 12.235 0.341 1.00 0.00 ATOM 321 CD1 PHE 47 -8.844 11.055 0.826 1.00 0.00 ATOM 322 CD2 PHE 47 -9.166 13.272 0.024 1.00 0.00 ATOM 323 CE1 PHE 47 -10.209 10.916 0.993 1.00 0.00 ATOM 324 CE2 PHE 47 -10.532 13.133 0.190 1.00 0.00 ATOM 325 CZ PHE 47 -11.053 11.961 0.672 1.00 0.00 ATOM 326 O PHE 47 -6.718 13.586 -2.618 1.00 0.00 ATOM 327 C PHE 47 -6.981 12.425 -2.316 1.00 0.00 ATOM 328 N SER 48 -7.871 11.694 -2.977 1.00 0.00 ATOM 329 CA SER 48 -8.575 12.217 -4.139 1.00 0.00 ATOM 330 CB SER 48 -8.846 11.100 -5.150 1.00 0.00 ATOM 331 OG SER 48 -9.498 11.603 -6.303 1.00 0.00 ATOM 332 O SER 48 -10.930 12.138 -3.642 1.00 0.00 ATOM 333 C SER 48 -9.923 12.835 -3.745 1.00 0.00 ATOM 334 N GLU 49 -9.935 14.142 -3.516 1.00 0.00 ATOM 335 CA GLU 49 -11.173 14.831 -3.157 1.00 0.00 ATOM 336 CB GLU 49 -10.920 16.329 -2.978 1.00 0.00 ATOM 337 CG GLU 49 -12.135 17.113 -2.511 1.00 0.00 ATOM 338 CD GLU 49 -11.832 18.583 -2.295 1.00 0.00 ATOM 339 OE1 GLU 49 -10.663 18.983 -2.480 1.00 0.00 ATOM 340 OE2 GLU 49 -12.764 19.335 -1.939 1.00 0.00 ATOM 341 O GLU 49 -11.851 14.875 -5.462 1.00 0.00 ATOM 342 C GLU 49 -12.163 14.590 -4.306 1.00 0.00 ATOM 343 N ALA 50 -13.347 14.066 -3.984 1.00 0.00 ATOM 344 CA ALA 50 -14.345 13.703 -4.998 1.00 0.00 ATOM 345 CB ALA 50 -15.183 12.526 -4.520 1.00 0.00 ATOM 346 O ALA 50 -16.135 14.517 -6.371 1.00 0.00 ATOM 347 C ALA 50 -15.381 14.744 -5.423 1.00 0.00 ATOM 348 N SER 51 -15.427 15.869 -4.716 1.00 0.00 ATOM 349 CA SER 51 -16.366 16.938 -5.029 1.00 0.00 ATOM 350 CB SER 51 -17.697 16.710 -4.312 1.00 0.00 ATOM 351 OG SER 51 -17.548 16.822 -2.908 1.00 0.00 ATOM 352 O SER 51 -14.611 18.301 -4.141 1.00 0.00 ATOM 353 C SER 51 -15.761 18.257 -4.569 1.00 0.00 ATOM 354 N GLY 52 -16.544 19.328 -4.643 1.00 0.00 ATOM 355 CA GLY 52 -16.037 20.622 -4.231 1.00 0.00 ATOM 356 O GLY 52 -14.945 21.083 -6.297 1.00 0.00 ATOM 357 C GLY 52 -14.844 21.024 -5.075 1.00 0.00 ATOM 358 N LYS 53 -13.713 21.288 -4.428 1.00 0.00 ATOM 359 CA LYS 53 -12.503 21.689 -5.137 1.00 0.00 ATOM 360 CB LYS 53 -11.410 22.095 -4.147 1.00 0.00 ATOM 361 CG LYS 53 -11.706 23.380 -3.389 1.00 0.00 ATOM 362 CD LYS 53 -10.597 23.707 -2.402 1.00 0.00 ATOM 363 CE LYS 53 -10.876 25.009 -1.669 1.00 0.00 ATOM 364 NZ LYS 53 -9.805 25.336 -0.688 1.00 0.00 ATOM 365 O LYS 53 -11.195 20.837 -6.952 1.00 0.00 ATOM 366 C LYS 53 -11.932 20.570 -6.007 1.00 0.00 ATOM 367 N ARG 54 -12.267 19.323 -5.680 1.00 0.00 ATOM 368 CA ARG 54 -11.785 18.166 -6.439 1.00 0.00 ATOM 369 CB ARG 54 -12.382 18.164 -7.848 1.00 0.00 ATOM 370 CG ARG 54 -13.892 17.993 -7.884 1.00 0.00 ATOM 371 CD ARG 54 -14.401 17.876 -9.310 1.00 0.00 ATOM 372 NE ARG 54 -15.860 17.900 -9.375 1.00 0.00 ATOM 373 CZ ARG 54 -16.559 17.867 -10.504 1.00 0.00 ATOM 374 NH1 ARG 54 -17.885 17.894 -10.466 1.00 0.00 ATOM 375 NH2 ARG 54 -15.932 17.804 -11.671 1.00 0.00 ATOM 376 O ARG 54 -9.729 17.811 -7.639 1.00 0.00 ATOM 377 C ARG 54 -10.264 18.159 -6.585 1.00 0.00 ATOM 378 N LEU 55 -9.566 18.533 -5.520 1.00 0.00 ATOM 379 CA LEU 55 -8.112 18.569 -5.560 1.00 0.00 ATOM 380 CB LEU 55 -7.585 19.790 -4.805 1.00 0.00 ATOM 381 CG LEU 55 -8.050 21.156 -5.315 1.00 0.00 ATOM 382 CD1 LEU 55 -7.517 22.272 -4.428 1.00 0.00 ATOM 383 CD2 LEU 55 -7.555 21.397 -6.733 1.00 0.00 ATOM 384 O LEU 55 -8.045 16.702 -4.060 1.00 0.00 ATOM 385 C LEU 55 -7.466 17.341 -4.931 1.00 0.00 ATOM 386 N VAL 56 -6.268 17.009 -5.395 1.00 0.00 ATOM 387 CA VAL 56 -5.521 15.908 -4.813 1.00 0.00 ATOM 388 CB VAL 56 -4.413 15.415 -5.761 1.00 0.00 ATOM 389 CG1 VAL 56 -3.600 14.311 -5.102 1.00 0.00 ATOM 390 CG2 VAL 56 -5.015 14.866 -7.046 1.00 0.00 ATOM 391 O VAL 56 -4.319 17.605 -3.617 1.00 0.00 ATOM 392 C VAL 56 -4.963 16.553 -3.550 1.00 0.00 ATOM 393 N ARG 57 -5.243 15.944 -2.406 1.00 0.00 ATOM 394 CA ARG 57 -4.796 16.459 -1.116 1.00 0.00 ATOM 395 CB ARG 57 -5.947 16.454 -0.108 1.00 0.00 ATOM 396 CG ARG 57 -7.052 17.449 -0.423 1.00 0.00 ATOM 397 CD ARG 57 -8.174 17.369 0.598 1.00 0.00 ATOM 398 NE ARG 57 -9.284 18.258 0.262 1.00 0.00 ATOM 399 CZ ARG 57 -9.344 19.540 0.606 1.00 0.00 ATOM 400 NH1 ARG 57 -10.393 20.272 0.257 1.00 0.00 ATOM 401 NH2 ARG 57 -8.355 20.087 1.297 1.00 0.00 ATOM 402 O ARG 57 -3.617 14.384 -0.895 1.00 0.00 ATOM 403 C ARG 57 -3.667 15.577 -0.593 1.00 0.00 ATOM 404 N ARG 58 -2.766 16.148 0.200 1.00 0.00 ATOM 405 CA ARG 58 -1.649 15.361 0.702 1.00 0.00 ATOM 406 CB ARG 58 -0.480 15.403 -0.283 1.00 0.00 ATOM 407 CG ARG 58 0.125 16.785 -0.469 1.00 0.00 ATOM 408 CD ARG 58 1.206 16.776 -1.538 1.00 0.00 ATOM 409 NE ARG 58 1.802 18.096 -1.726 1.00 0.00 ATOM 410 CZ ARG 58 2.610 18.415 -2.733 1.00 0.00 ATOM 411 NH1 ARG 58 3.105 19.643 -2.822 1.00 0.00 ATOM 412 NH2 ARG 58 2.922 17.507 -3.646 1.00 0.00 ATOM 413 O ARG 58 -1.384 16.924 2.506 1.00 0.00 ATOM 414 C ARG 58 -1.094 15.825 2.040 1.00 0.00 ATOM 415 N SER 59 -0.287 14.958 2.641 1.00 0.00 ATOM 416 CA SER 59 0.369 15.218 3.917 1.00 0.00 ATOM 417 CB SER 59 -0.611 15.017 5.074 1.00 0.00 ATOM 418 OG SER 59 -0.989 13.655 5.192 1.00 0.00 ATOM 419 O SER 59 1.567 13.265 3.213 1.00 0.00 ATOM 420 C SER 59 1.518 14.217 3.993 1.00 0.00 ATOM 421 N GLY 60 2.439 14.430 4.923 1.00 0.00 ATOM 422 CA GLY 60 3.565 13.524 5.056 1.00 0.00 ATOM 423 O GLY 60 4.774 15.438 5.811 1.00 0.00 ATOM 424 C GLY 60 4.802 14.231 5.570 1.00 0.00 ATOM 425 N THR 61 5.888 13.482 5.739 1.00 0.00 ATOM 426 CA THR 61 7.136 14.055 6.234 1.00 0.00 ATOM 427 CB THR 61 7.461 13.557 7.654 1.00 0.00 ATOM 428 CG2 THR 61 6.375 13.985 8.630 1.00 0.00 ATOM 429 OG1 THR 61 7.546 12.126 7.655 1.00 0.00 ATOM 430 O THR 61 9.470 13.807 5.737 1.00 0.00 ATOM 431 C THR 61 8.314 13.681 5.341 1.00 0.00 ATOM 432 N ASP 62 8.011 13.213 4.136 1.00 0.00 ATOM 433 CA ASP 62 9.038 12.824 3.181 1.00 0.00 ATOM 434 CB ASP 62 9.244 11.308 3.203 1.00 0.00 ATOM 435 CG ASP 62 10.374 10.861 2.294 1.00 0.00 ATOM 436 OD1 ASP 62 10.897 11.705 1.538 1.00 0.00 ATOM 437 OD2 ASP 62 10.734 9.665 2.340 1.00 0.00 ATOM 438 O ASP 62 7.567 12.793 1.291 1.00 0.00 ATOM 439 C ASP 62 8.589 13.258 1.794 1.00 0.00 ATOM 440 N GLU 63 9.354 14.156 1.183 1.00 0.00 ATOM 441 CA GLU 63 9.022 14.676 -0.137 1.00 0.00 ATOM 442 CB GLU 63 10.106 15.640 -0.622 1.00 0.00 ATOM 443 CG GLU 63 10.140 16.962 0.126 1.00 0.00 ATOM 444 CD GLU 63 11.303 17.841 -0.296 1.00 0.00 ATOM 445 OE1 GLU 63 12.123 17.385 -1.119 1.00 0.00 ATOM 446 OE2 GLU 63 11.392 18.984 0.197 1.00 0.00 ATOM 447 O GLU 63 7.959 13.682 -2.032 1.00 0.00 ATOM 448 C GLU 63 8.880 13.617 -1.220 1.00 0.00 ATOM 449 N ALA 64 9.788 12.646 -1.239 1.00 0.00 ATOM 450 CA ALA 64 9.731 11.592 -2.242 1.00 0.00 ATOM 451 CB ALA 64 10.936 10.672 -2.112 1.00 0.00 ATOM 452 O ALA 64 7.858 10.373 -3.099 1.00 0.00 ATOM 453 C ALA 64 8.477 10.738 -2.101 1.00 0.00 ATOM 454 N LEU 65 8.106 10.414 -0.866 1.00 0.00 ATOM 455 CA LEU 65 6.914 9.602 -0.633 1.00 0.00 ATOM 456 CB LEU 65 6.853 9.146 0.826 1.00 0.00 ATOM 457 CG LEU 65 7.909 8.129 1.264 1.00 0.00 ATOM 458 CD1 LEU 65 7.847 7.902 2.767 1.00 0.00 ATOM 459 CD2 LEU 65 7.687 6.793 0.572 1.00 0.00 ATOM 460 O LEU 65 4.689 9.859 -1.507 1.00 0.00 ATOM 461 C LEU 65 5.647 10.393 -0.939 1.00 0.00 ATOM 462 N VAL 66 5.637 11.666 -0.555 1.00 0.00 ATOM 463 CA VAL 66 4.485 12.512 -0.815 1.00 0.00 ATOM 464 CB VAL 66 4.671 13.919 -0.219 1.00 0.00 ATOM 465 CG1 VAL 66 3.550 14.842 -0.670 1.00 0.00 ATOM 466 CG2 VAL 66 4.662 13.859 1.301 1.00 0.00 ATOM 467 O VAL 66 3.151 12.541 -2.804 1.00 0.00 ATOM 468 C VAL 66 4.274 12.656 -2.322 1.00 0.00 ATOM 469 N GLU 67 5.353 12.897 -3.062 1.00 0.00 ATOM 470 CA GLU 67 5.259 13.049 -4.511 1.00 0.00 ATOM 471 CB GLU 67 6.629 13.385 -5.104 1.00 0.00 ATOM 472 CG GLU 67 7.121 14.784 -4.773 1.00 0.00 ATOM 473 CD GLU 67 8.532 15.038 -5.272 1.00 0.00 ATOM 474 OE1 GLU 67 9.149 14.097 -5.811 1.00 0.00 ATOM 475 OE2 GLU 67 9.017 16.180 -5.123 1.00 0.00 ATOM 476 O GLU 67 4.016 11.814 -6.145 1.00 0.00 ATOM 477 C GLU 67 4.761 11.770 -5.170 1.00 0.00 ATOM 478 N LEU 68 5.184 10.626 -4.642 1.00 0.00 ATOM 479 CA LEU 68 4.753 9.348 -5.191 1.00 0.00 ATOM 480 CB LEU 68 5.520 8.197 -4.536 1.00 0.00 ATOM 481 CG LEU 68 7.008 8.096 -4.875 1.00 0.00 ATOM 482 CD1 LEU 68 7.682 7.029 -4.025 1.00 0.00 ATOM 483 CD2 LEU 68 7.205 7.732 -6.338 1.00 0.00 ATOM 484 O LEU 68 2.537 8.659 -5.789 1.00 0.00 ATOM 485 C LEU 68 3.258 9.163 -4.929 1.00 0.00 ATOM 486 N ALA 69 2.794 9.568 -3.746 1.00 0.00 ATOM 487 CA ALA 69 1.371 9.450 -3.405 1.00 0.00 ATOM 488 CB ALA 69 1.133 9.889 -1.969 1.00 0.00 ATOM 489 O ALA 69 -0.556 9.920 -4.754 1.00 0.00 ATOM 490 C ALA 69 0.522 10.321 -4.318 1.00 0.00 ATOM 491 N VAL 70 1.002 11.527 -4.590 1.00 0.00 ATOM 492 CA VAL 70 0.282 12.441 -5.464 1.00 0.00 ATOM 493 CB VAL 70 0.992 13.805 -5.565 1.00 0.00 ATOM 494 CG1 VAL 70 0.337 14.668 -6.631 1.00 0.00 ATOM 495 CG2 VAL 70 0.919 14.542 -4.237 1.00 0.00 ATOM 496 O VAL 70 -0.876 11.824 -7.472 1.00 0.00 ATOM 497 C VAL 70 0.192 11.839 -6.862 1.00 0.00 ATOM 498 N LYS 71 1.317 11.332 -7.364 1.00 0.00 ATOM 499 CA LYS 71 1.344 10.733 -8.694 1.00 0.00 ATOM 500 CB LYS 71 2.757 10.258 -9.039 1.00 0.00 ATOM 501 CG LYS 71 3.747 11.384 -9.284 1.00 0.00 ATOM 502 CD LYS 71 5.126 10.841 -9.623 1.00 0.00 ATOM 503 CE LYS 71 6.124 11.968 -9.843 1.00 0.00 ATOM 504 NZ LYS 71 7.488 11.450 -10.143 1.00 0.00 ATOM 505 O LYS 71 -0.306 9.353 -9.766 1.00 0.00 ATOM 506 C LYS 71 0.403 9.528 -8.775 1.00 0.00 ATOM 507 N ASN 72 0.391 8.700 -7.734 1.00 0.00 ATOM 508 CA ASN 72 -0.478 7.529 -7.731 1.00 0.00 ATOM 509 CB ASN 72 -0.229 6.681 -6.482 1.00 0.00 ATOM 510 CG ASN 72 1.087 5.931 -6.539 1.00 0.00 ATOM 511 ND2 ASN 72 1.578 5.512 -5.380 1.00 0.00 ATOM 512 OD1 ASN 72 1.654 5.734 -7.615 1.00 0.00 ATOM 513 O ASN 72 -2.747 7.294 -8.441 1.00 0.00 ATOM 514 C ASN 72 -1.951 7.916 -7.743 1.00 0.00 ATOM 515 N LEU 73 -2.311 8.939 -6.973 1.00 0.00 ATOM 516 CA LEU 73 -3.693 9.409 -6.936 1.00 0.00 ATOM 517 CB LEU 73 -3.849 10.537 -5.915 1.00 0.00 ATOM 518 CG LEU 73 -5.256 11.119 -5.755 1.00 0.00 ATOM 519 CD1 LEU 73 -6.228 10.048 -5.282 1.00 0.00 ATOM 520 CD2 LEU 73 -5.258 12.248 -4.736 1.00 0.00 ATOM 521 O LEU 73 -5.168 9.685 -8.814 1.00 0.00 ATOM 522 C LEU 73 -4.063 9.924 -8.325 1.00 0.00 ATOM 523 N LEU 74 -3.129 10.622 -8.964 1.00 0.00 ATOM 524 CA LEU 74 -3.364 11.159 -10.303 1.00 0.00 ATOM 525 CB LEU 74 -2.158 11.977 -10.772 1.00 0.00 ATOM 526 CG LEU 74 -1.917 13.304 -10.048 1.00 0.00 ATOM 527 CD1 LEU 74 -0.595 13.920 -10.483 1.00 0.00 ATOM 528 CD2 LEU 74 -3.028 14.295 -10.356 1.00 0.00 ATOM 529 O LEU 74 -4.489 10.136 -12.161 1.00 0.00 ATOM 530 C LEU 74 -3.596 10.044 -11.316 1.00 0.00 ATOM 531 N ASN 75 -2.790 8.991 -11.238 1.00 0.00 ATOM 532 CA ASN 75 -2.921 7.875 -12.167 1.00 0.00 ATOM 533 CB ASN 75 -1.819 6.842 -11.922 1.00 0.00 ATOM 534 CG ASN 75 -0.460 7.315 -12.396 1.00 0.00 ATOM 535 ND2 ASN 75 0.595 6.698 -11.877 1.00 0.00 ATOM 536 OD1 ASN 75 -0.362 8.225 -13.221 1.00 0.00 ATOM 537 O ASN 75 -4.861 6.766 -13.022 1.00 0.00 ATOM 538 C ASN 75 -4.259 7.159 -12.028 1.00 0.00 ATOM 539 N LEU 76 -4.710 6.984 -10.789 1.00 0.00 ATOM 540 CA LEU 76 -5.979 6.310 -10.524 1.00 0.00 ATOM 541 CB LEU 76 -6.118 5.996 -9.033 1.00 0.00 ATOM 542 CG LEU 76 -5.174 4.929 -8.474 1.00 0.00 ATOM 543 CD1 LEU 76 -5.294 4.846 -6.959 1.00 0.00 ATOM 544 CD2 LEU 76 -5.508 3.562 -9.053 1.00 0.00 ATOM 545 O LEU 76 -8.110 6.716 -11.560 1.00 0.00 ATOM 546 C LEU 76 -7.155 7.189 -10.939 1.00 0.00 ATOM 547 N ALA 77 -7.080 8.467 -10.582 1.00 0.00 ATOM 548 CA ALA 77 -8.106 9.450 -10.924 1.00 0.00 ATOM 549 CB ALA 77 -8.117 9.705 -12.423 1.00 0.00 ATOM 550 O ALA 77 -10.472 9.247 -11.317 1.00 0.00 ATOM 551 C ALA 77 -9.529 9.035 -10.545 1.00 0.00 ATOM 552 N CYS 78 -9.678 8.451 -9.357 1.00 0.00 ATOM 553 CA CYS 78 -10.985 8.016 -8.865 1.00 0.00 ATOM 554 CB CYS 78 -10.992 6.504 -8.632 1.00 0.00 ATOM 555 SG CYS 78 -12.573 5.846 -8.051 1.00 0.00 ATOM 556 O CYS 78 -10.557 8.659 -6.587 1.00 0.00 ATOM 557 C CYS 78 -11.327 8.704 -7.546 1.00 0.00 ATOM 558 N GLY 79 -12.495 9.333 -7.502 1.00 0.00 ATOM 559 CA GLY 79 -12.915 10.019 -6.296 1.00 0.00 ATOM 560 O GLY 79 -13.236 7.979 -5.076 1.00 0.00 ATOM 561 C GLY 79 -12.879 9.160 -5.046 1.00 0.00 ATOM 562 N HIS 80 -12.432 9.777 -3.955 1.00 0.00 ATOM 563 CA HIS 80 -12.333 9.152 -2.638 1.00 0.00 ATOM 564 CB HIS 80 -13.659 8.488 -2.260 1.00 0.00 ATOM 565 CG HIS 80 -14.828 9.422 -2.272 1.00 0.00 ATOM 566 CD2 HIS 80 -16.043 9.554 -3.063 1.00 0.00 ATOM 567 ND1 HIS 80 -14.953 10.470 -1.387 1.00 0.00 ATOM 568 CE1 HIS 80 -16.099 11.124 -1.641 1.00 0.00 ATOM 569 NE2 HIS 80 -16.758 10.580 -2.646 1.00 0.00 ATOM 570 O HIS 80 -11.320 7.294 -1.503 1.00 0.00 ATOM 571 C HIS 80 -11.284 8.063 -2.464 1.00 0.00 ATOM 572 N VAL 81 -10.338 8.009 -3.393 1.00 0.00 ATOM 573 CA VAL 81 -9.254 7.053 -3.291 1.00 0.00 ATOM 574 CB VAL 81 -8.642 6.746 -4.670 1.00 0.00 ATOM 575 CG1 VAL 81 -7.408 5.867 -4.521 1.00 0.00 ATOM 576 CG2 VAL 81 -9.647 6.017 -5.549 1.00 0.00 ATOM 577 O VAL 81 -8.064 8.926 -2.365 1.00 0.00 ATOM 578 C VAL 81 -8.210 7.697 -2.381 1.00 0.00 ATOM 579 N PHE 82 -7.512 6.882 -1.595 1.00 0.00 ATOM 580 CA PHE 82 -6.422 7.399 -0.786 1.00 0.00 ATOM 581 CB PHE 82 -6.825 7.451 0.689 1.00 0.00 ATOM 582 CG PHE 82 -7.100 6.102 1.290 1.00 0.00 ATOM 583 CD1 PHE 82 -6.088 5.380 1.900 1.00 0.00 ATOM 584 CD2 PHE 82 -8.370 5.554 1.245 1.00 0.00 ATOM 585 CE1 PHE 82 -6.340 4.139 2.452 1.00 0.00 ATOM 586 CE2 PHE 82 -8.622 4.312 1.798 1.00 0.00 ATOM 587 CZ PHE 82 -7.614 3.606 2.399 1.00 0.00 ATOM 588 O PHE 82 -5.425 5.256 -1.221 1.00 0.00 ATOM 589 C PHE 82 -5.244 6.454 -0.979 1.00 0.00 ATOM 590 N LEU 83 -4.040 7.016 -0.940 1.00 0.00 ATOM 591 CA LEU 83 -2.816 6.250 -1.120 1.00 0.00 ATOM 592 CB LEU 83 -2.189 6.555 -2.483 1.00 0.00 ATOM 593 CG LEU 83 -3.012 6.163 -3.711 1.00 0.00 ATOM 594 CD1 LEU 83 -2.360 6.680 -4.983 1.00 0.00 ATOM 595 CD2 LEU 83 -3.131 4.650 -3.817 1.00 0.00 ATOM 596 O LEU 83 -1.611 7.825 0.211 1.00 0.00 ATOM 597 C LEU 83 -1.854 6.642 -0.015 1.00 0.00 ATOM 598 N ILE 84 -1.319 5.646 0.679 1.00 0.00 ATOM 599 CA ILE 84 -0.370 5.893 1.753 1.00 0.00 ATOM 600 CB ILE 84 -0.925 5.433 3.114 1.00 0.00 ATOM 601 CG1 ILE 84 -2.197 6.208 3.459 1.00 0.00 ATOM 602 CG2 ILE 84 0.099 5.673 4.213 1.00 0.00 ATOM 603 CD1 ILE 84 -2.946 5.652 4.651 1.00 0.00 ATOM 604 O ILE 84 0.860 3.969 1.022 1.00 0.00 ATOM 605 C ILE 84 0.911 5.119 1.451 1.00 0.00 ATOM 606 N VAL 85 2.055 5.768 1.639 1.00 0.00 ATOM 607 CA VAL 85 3.347 5.123 1.424 1.00 0.00 ATOM 608 CB VAL 85 4.116 5.776 0.260 1.00 0.00 ATOM 609 CG1 VAL 85 5.477 5.117 0.083 1.00 0.00 ATOM 610 CG2 VAL 85 3.340 5.629 -1.039 1.00 0.00 ATOM 611 O VAL 85 4.233 6.387 3.245 1.00 0.00 ATOM 612 C VAL 85 4.129 5.284 2.716 1.00 0.00 ATOM 613 N LEU 86 4.658 4.178 3.232 1.00 0.00 ATOM 614 CA LEU 86 5.410 4.208 4.479 1.00 0.00 ATOM 615 CB LEU 86 4.626 3.517 5.596 1.00 0.00 ATOM 616 CG LEU 86 3.297 4.162 5.991 1.00 0.00 ATOM 617 CD1 LEU 86 2.543 3.281 6.974 1.00 0.00 ATOM 618 CD2 LEU 86 3.529 5.515 6.645 1.00 0.00 ATOM 619 O LEU 86 6.816 2.402 3.783 1.00 0.00 ATOM 620 C LEU 86 6.745 3.497 4.326 1.00 0.00 ATOM 621 N GLY 87 7.799 4.132 4.816 1.00 0.00 ATOM 622 CA GLY 87 9.137 3.568 4.742 1.00 0.00 ATOM 623 O GLY 87 9.449 4.528 6.920 1.00 0.00 ATOM 624 C GLY 87 9.782 3.650 6.124 1.00 0.00 ATOM 625 N GLU 88 10.690 2.725 6.414 1.00 0.00 ATOM 626 CA GLU 88 11.379 2.714 7.700 1.00 0.00 ATOM 627 CB GLU 88 12.112 4.038 7.925 1.00 0.00 ATOM 628 CG GLU 88 13.200 4.327 6.903 1.00 0.00 ATOM 629 CD GLU 88 13.924 5.631 7.175 1.00 0.00 ATOM 630 OE1 GLU 88 13.533 6.339 8.128 1.00 0.00 ATOM 631 OE2 GLU 88 14.880 5.944 6.436 1.00 0.00 ATOM 632 O GLU 88 10.518 3.207 9.885 1.00 0.00 ATOM 633 C GLU 88 10.420 2.516 8.870 1.00 0.00 ATOM 634 N GLY 89 9.495 1.576 8.725 1.00 0.00 ATOM 635 CA GLY 89 8.535 1.292 9.783 1.00 0.00 ATOM 636 O GLY 89 8.646 -1.036 9.200 1.00 0.00 ATOM 637 C GLY 89 8.510 -0.201 10.097 1.00 0.00 ATOM 641 N TYR 91 8.346 -0.532 11.375 1.00 0.00 ATOM 642 CA TYR 91 8.282 -1.930 11.780 1.00 0.00 ATOM 643 CB TYR 91 8.340 -2.049 13.304 1.00 0.00 ATOM 644 CG TYR 91 9.697 -1.739 13.891 1.00 0.00 ATOM 645 CD1 TYR 91 9.965 -0.495 14.449 1.00 0.00 ATOM 646 CD2 TYR 91 10.709 -2.691 13.888 1.00 0.00 ATOM 647 CE1 TYR 91 11.203 -0.202 14.988 1.00 0.00 ATOM 648 CE2 TYR 91 11.953 -2.417 14.421 1.00 0.00 ATOM 649 CZ TYR 91 12.195 -1.160 14.974 1.00 0.00 ATOM 650 OH TYR 91 13.428 -0.872 15.510 1.00 0.00 ATOM 651 O TYR 91 6.013 -1.806 11.014 1.00 0.00 ATOM 652 C TYR 91 6.973 -2.529 11.278 1.00 0.00 ATOM 653 N PRO 92 6.921 -3.862 11.144 1.00 0.00 ATOM 654 CA PRO 92 5.731 -4.574 10.671 1.00 0.00 ATOM 655 CB PRO 92 6.065 -6.049 10.903 1.00 0.00 ATOM 656 CG PRO 92 7.549 -6.124 10.757 1.00 0.00 ATOM 657 CD PRO 92 8.094 -4.894 11.428 1.00 0.00 ATOM 658 O PRO 92 3.406 -3.966 10.761 1.00 0.00 ATOM 659 C PRO 92 4.432 -4.219 11.397 1.00 0.00 ATOM 660 N ILE 93 4.471 -4.194 12.728 1.00 0.00 ATOM 661 CA ILE 93 3.265 -3.902 13.498 1.00 0.00 ATOM 662 CB ILE 93 3.525 -3.998 15.012 1.00 0.00 ATOM 663 CG1 ILE 93 3.792 -5.451 15.416 1.00 0.00 ATOM 664 CG2 ILE 93 2.319 -3.496 15.793 1.00 0.00 ATOM 665 CD1 ILE 93 4.312 -5.605 16.828 1.00 0.00 ATOM 666 O ILE 93 1.490 -2.299 13.295 1.00 0.00 ATOM 667 C ILE 93 2.705 -2.501 13.250 1.00 0.00 ATOM 668 N ASN 94 3.586 -1.541 12.989 1.00 0.00 ATOM 669 CA ASN 94 3.148 -0.173 12.736 1.00 0.00 ATOM 670 CB ASN 94 4.349 0.773 12.688 1.00 0.00 ATOM 671 CG ASN 94 4.953 1.021 14.057 1.00 0.00 ATOM 672 ND2 ASN 94 6.208 1.452 14.079 1.00 0.00 ATOM 673 OD1 ASN 94 4.296 0.825 15.079 1.00 0.00 ATOM 674 O ASN 94 1.411 0.605 11.273 1.00 0.00 ATOM 675 C ASN 94 2.413 -0.099 11.404 1.00 0.00 ATOM 676 N VAL 95 2.919 -0.835 10.420 1.00 0.00 ATOM 677 CA VAL 95 2.305 -0.878 9.101 1.00 0.00 ATOM 678 CB VAL 95 3.158 -1.687 8.106 1.00 0.00 ATOM 679 CG1 VAL 95 2.412 -1.877 6.795 1.00 0.00 ATOM 680 CG2 VAL 95 4.465 -0.965 7.816 1.00 0.00 ATOM 681 O VAL 95 -0.062 -1.017 8.704 1.00 0.00 ATOM 682 C VAL 95 0.928 -1.535 9.214 1.00 0.00 ATOM 683 N LEU 96 0.875 -2.674 9.898 1.00 0.00 ATOM 684 CA LEU 96 -0.377 -3.398 10.084 1.00 0.00 ATOM 685 CB LEU 96 -0.147 -4.664 10.911 1.00 0.00 ATOM 686 CG LEU 96 0.649 -5.782 10.234 1.00 0.00 ATOM 687 CD1 LEU 96 0.959 -6.896 11.222 1.00 0.00 ATOM 688 CD2 LEU 96 -0.140 -6.377 9.077 1.00 0.00 ATOM 689 O LEU 96 -2.578 -2.524 10.442 1.00 0.00 ATOM 690 C LEU 96 -1.407 -2.538 10.811 1.00 0.00 ATOM 691 N HIS 97 -0.972 -1.829 11.850 1.00 0.00 ATOM 692 CA HIS 97 -1.887 -0.977 12.604 1.00 0.00 ATOM 693 CB HIS 97 -1.190 -0.399 13.837 1.00 0.00 ATOM 694 CG HIS 97 -2.074 0.462 14.683 1.00 0.00 ATOM 695 CD2 HIS 97 -2.156 1.883 14.987 1.00 0.00 ATOM 696 ND1 HIS 97 -3.118 -0.046 15.426 1.00 0.00 ATOM 697 CE1 HIS 97 -3.724 0.962 16.075 1.00 0.00 ATOM 698 NE2 HIS 97 -3.152 2.124 15.817 1.00 0.00 ATOM 699 O HIS 97 -3.532 0.613 11.893 1.00 0.00 ATOM 700 C HIS 97 -2.387 0.189 11.758 1.00 0.00 ATOM 701 N ALA 98 -1.526 0.706 10.889 1.00 0.00 ATOM 702 CA ALA 98 -1.917 1.806 10.015 1.00 0.00 ATOM 703 CB ALA 98 -0.749 2.227 9.138 1.00 0.00 ATOM 704 O ALA 98 -4.052 2.044 8.923 1.00 0.00 ATOM 705 C ALA 98 -3.074 1.323 9.141 1.00 0.00 ATOM 706 N VAL 99 -2.960 0.091 8.646 1.00 0.00 ATOM 707 CA VAL 99 -4.000 -0.480 7.797 1.00 0.00 ATOM 708 CB VAL 99 -3.580 -1.852 7.237 1.00 0.00 ATOM 709 CG1 VAL 99 -4.746 -2.511 6.512 1.00 0.00 ATOM 710 CG2 VAL 99 -2.430 -1.698 6.255 1.00 0.00 ATOM 711 O VAL 99 -6.368 -0.300 8.125 1.00 0.00 ATOM 712 C VAL 99 -5.288 -0.669 8.589 1.00 0.00 ATOM 713 N LYS 100 -5.171 -1.240 9.786 1.00 0.00 ATOM 714 CA LYS 100 -6.340 -1.463 10.635 1.00 0.00 ATOM 715 CB LYS 100 -5.921 -2.066 11.978 1.00 0.00 ATOM 716 CG LYS 100 -5.435 -3.504 11.887 1.00 0.00 ATOM 717 CD LYS 100 -5.038 -4.039 13.254 1.00 0.00 ATOM 718 CE LYS 100 -4.531 -5.468 13.160 1.00 0.00 ATOM 719 NZ LYS 100 -4.107 -5.995 14.487 1.00 0.00 ATOM 720 O LYS 100 -8.288 -0.088 10.897 1.00 0.00 ATOM 721 C LYS 100 -7.059 -0.147 10.900 1.00 0.00 ATOM 722 N ALA 101 -6.290 0.908 11.141 1.00 0.00 ATOM 723 CA ALA 101 -6.875 2.214 11.409 1.00 0.00 ATOM 724 CB ALA 101 -5.794 3.209 11.800 1.00 0.00 ATOM 725 O ALA 101 -8.653 3.368 10.296 1.00 0.00 ATOM 726 C ALA 101 -7.596 2.754 10.178 1.00 0.00 ATOM 727 N CYS 102 -7.028 2.520 8.999 1.00 0.00 ATOM 728 CA CYS 102 -7.660 2.982 7.768 1.00 0.00 ATOM 729 CB CYS 102 -6.756 2.703 6.564 1.00 0.00 ATOM 730 SG CYS 102 -5.249 3.700 6.516 1.00 0.00 ATOM 731 O CYS 102 -9.933 2.815 7.032 1.00 0.00 ATOM 732 C CYS 102 -8.983 2.253 7.573 1.00 0.00 ATOM 733 N PRO 103 -9.040 1.001 8.020 1.00 0.00 ATOM 734 CA PRO 103 -10.255 0.201 7.892 1.00 0.00 ATOM 735 CB PRO 103 -9.843 -1.181 8.406 1.00 0.00 ATOM 736 CG PRO 103 -8.358 -1.199 8.279 1.00 0.00 ATOM 737 CD PRO 103 -7.902 0.214 8.511 1.00 0.00 ATOM 738 O PRO 103 -12.566 0.463 8.470 1.00 0.00 ATOM 739 C PRO 103 -11.400 0.772 8.716 1.00 0.00 ATOM 740 N GLU 104 -11.067 1.603 9.697 1.00 0.00 ATOM 741 CA GLU 104 -12.088 2.215 10.538 1.00 0.00 ATOM 742 CB GLU 104 -11.462 2.784 11.813 1.00 0.00 ATOM 743 CG GLU 104 -10.884 1.732 12.745 1.00 0.00 ATOM 744 CD GLU 104 -10.253 2.334 13.985 1.00 0.00 ATOM 745 OE1 GLU 104 -10.312 3.572 14.139 1.00 0.00 ATOM 746 OE2 GLU 104 -9.700 1.567 14.802 1.00 0.00 ATOM 747 O GLU 104 -13.917 3.721 10.156 1.00 0.00 ATOM 748 C GLU 104 -12.796 3.354 9.811 1.00 0.00 ATOM 749 N VAL 105 -12.137 3.907 8.799 1.00 0.00 ATOM 750 CA VAL 105 -12.702 5.015 8.039 1.00 0.00 ATOM 751 CB VAL 105 -11.907 6.315 8.261 1.00 0.00 ATOM 752 CG1 VAL 105 -11.986 6.747 9.718 1.00 0.00 ATOM 753 CG2 VAL 105 -10.442 6.112 7.899 1.00 0.00 ATOM 754 O VAL 105 -12.909 5.668 5.738 1.00 0.00 ATOM 755 C VAL 105 -12.706 4.752 6.536 1.00 0.00 ATOM 756 N VAL 106 -12.475 3.503 6.145 1.00 0.00 ATOM 757 CA VAL 106 -12.470 3.187 4.728 1.00 0.00 ATOM 758 CB VAL 106 -11.303 3.881 4.000 1.00 0.00 ATOM 759 CG1 VAL 106 -11.443 5.392 4.087 1.00 0.00 ATOM 760 CG2 VAL 106 -9.974 3.484 4.628 1.00 0.00 ATOM 761 O VAL 106 -12.317 0.865 5.297 1.00 0.00 ATOM 762 C VAL 106 -12.333 1.717 4.407 1.00 0.00 ATOM 763 N ARG 107 -12.243 1.425 3.114 1.00 0.00 ATOM 764 CA ARG 107 -12.101 0.063 2.630 1.00 0.00 ATOM 765 CB ARG 107 -13.168 -0.245 1.578 1.00 0.00 ATOM 766 CG ARG 107 -14.583 -0.307 2.129 1.00 0.00 ATOM 767 CD ARG 107 -15.593 -0.585 1.029 1.00 0.00 ATOM 768 NE ARG 107 -16.967 -0.562 1.527 1.00 0.00 ATOM 769 CZ ARG 107 -17.583 -1.607 2.069 1.00 0.00 ATOM 770 NH1 ARG 107 -18.833 -1.492 2.495 1.00 0.00 ATOM 771 NH2 ARG 107 -16.946 -2.765 2.187 1.00 0.00 ATOM 772 O ARG 107 -10.199 0.919 1.474 1.00 0.00 ATOM 773 C ARG 107 -10.715 -0.052 2.017 1.00 0.00 ATOM 774 N ILE 108 -10.108 -1.230 2.106 1.00 0.00 ATOM 775 CA ILE 108 -8.761 -1.418 1.573 1.00 0.00 ATOM 776 CB ILE 108 -7.905 -2.300 2.501 1.00 0.00 ATOM 777 CG1 ILE 108 -7.854 -1.702 3.908 1.00 0.00 ATOM 778 CG2 ILE 108 -6.484 -2.408 1.970 1.00 0.00 ATOM 779 CD1 ILE 108 -7.262 -0.311 3.958 1.00 0.00 ATOM 780 O ILE 108 -9.404 -3.112 0.007 1.00 0.00 ATOM 781 C ILE 108 -8.754 -2.088 0.200 1.00 0.00 ATOM 782 N TYR 109 -8.021 -1.502 -0.747 1.00 0.00 ATOM 783 CA TYR 109 -7.896 -2.061 -2.094 1.00 0.00 ATOM 784 CB TYR 109 -7.871 -0.943 -3.138 1.00 0.00 ATOM 785 CG TYR 109 -9.193 -0.231 -3.306 1.00 0.00 ATOM 786 CD1 TYR 109 -10.370 -0.795 -2.827 1.00 0.00 ATOM 787 CD2 TYR 109 -9.263 1.002 -3.942 1.00 0.00 ATOM 788 CE1 TYR 109 -11.584 -0.151 -2.977 1.00 0.00 ATOM 789 CE2 TYR 109 -10.468 1.659 -4.099 1.00 0.00 ATOM 790 CZ TYR 109 -11.634 1.071 -3.609 1.00 0.00 ATOM 791 OH TYR 109 -12.841 1.714 -3.759 1.00 0.00 ATOM 792 O TYR 109 -6.534 -3.921 -2.776 1.00 0.00 ATOM 793 C TYR 109 -6.593 -2.855 -2.163 1.00 0.00 ATOM 794 N ALA 110 -5.554 -2.316 -1.531 1.00 0.00 ATOM 795 CA ALA 110 -4.242 -2.960 -1.499 1.00 0.00 ATOM 796 CB ALA 110 -3.433 -2.576 -2.729 1.00 0.00 ATOM 797 O ALA 110 -3.636 -1.458 0.272 1.00 0.00 ATOM 798 C ALA 110 -3.451 -2.542 -0.262 1.00 0.00 ATOM 799 N ALA 111 -2.566 -3.427 0.175 1.00 0.00 ATOM 800 CA ALA 111 -1.710 -3.198 1.334 1.00 0.00 ATOM 801 CB ALA 111 -2.457 -3.527 2.617 1.00 0.00 ATOM 802 O ALA 111 -0.669 -5.349 1.319 1.00 0.00 ATOM 803 C ALA 111 -0.565 -4.153 1.051 1.00 0.00 ATOM 804 N THR 112 0.529 -3.635 0.502 1.00 0.00 ATOM 805 CA THR 112 1.621 -4.518 0.118 1.00 0.00 ATOM 806 CB THR 112 1.288 -5.301 -1.165 1.00 0.00 ATOM 807 CG2 THR 112 1.232 -4.364 -2.362 1.00 0.00 ATOM 808 OG1 THR 112 2.298 -6.291 -1.398 1.00 0.00 ATOM 809 O THR 112 2.959 -2.552 -0.197 1.00 0.00 ATOM 810 C THR 112 2.924 -3.777 -0.153 1.00 0.00 ATOM 811 N ALA 113 3.988 -4.550 -0.343 1.00 0.00 ATOM 812 CA ALA 113 5.299 -4.008 -0.662 1.00 0.00 ATOM 813 CB ALA 113 6.339 -4.521 0.322 1.00 0.00 ATOM 814 O ALA 113 6.601 -4.013 -2.686 1.00 0.00 ATOM 815 C ALA 113 5.631 -4.472 -2.079 1.00 0.00 ATOM 816 N ASN 114 4.807 -5.378 -2.600 1.00 0.00 ATOM 817 CA ASN 114 4.987 -5.937 -3.943 1.00 0.00 ATOM 818 CB ASN 114 4.101 -7.169 -4.134 1.00 0.00 ATOM 819 CG ASN 114 4.583 -8.363 -3.332 1.00 0.00 ATOM 820 ND2 ASN 114 3.701 -9.335 -3.133 1.00 0.00 ATOM 821 OD1 ASN 114 5.735 -8.407 -2.900 1.00 0.00 ATOM 822 O ASN 114 3.906 -3.981 -4.824 1.00 0.00 ATOM 823 C ASN 114 4.631 -4.956 -5.050 1.00 0.00 ATOM 824 N PRO 115 5.133 -5.208 -6.271 1.00 0.00 ATOM 825 CA PRO 115 4.814 -4.324 -7.390 1.00 0.00 ATOM 826 CB PRO 115 5.511 -4.975 -8.587 1.00 0.00 ATOM 827 CG PRO 115 6.624 -5.764 -7.985 1.00 0.00 ATOM 828 CD PRO 115 6.095 -6.316 -6.693 1.00 0.00 ATOM 829 O PRO 115 2.693 -5.429 -7.236 1.00 0.00 ATOM 830 C PRO 115 3.292 -4.367 -7.439 1.00 0.00 ATOM 831 N LEU 116 2.663 -3.233 -7.708 1.00 0.00 ATOM 832 CA LEU 116 1.210 -3.181 -7.688 1.00 0.00 ATOM 833 CB LEU 116 0.715 -2.489 -6.417 1.00 0.00 ATOM 834 CG LEU 116 -0.797 -2.289 -6.299 1.00 0.00 ATOM 835 CD1 LEU 116 -1.505 -3.624 -6.125 1.00 0.00 ATOM 836 CD2 LEU 116 -1.133 -1.415 -5.100 1.00 0.00 ATOM 837 O LEU 116 1.025 -1.352 -9.225 1.00 0.00 ATOM 838 C LEU 116 0.577 -2.433 -8.846 1.00 0.00 ATOM 839 N LYS 117 -0.488 -3.016 -9.379 1.00 0.00 ATOM 840 CA LYS 117 -1.234 -2.437 -10.484 1.00 0.00 ATOM 841 CB LYS 117 -1.177 -3.355 -11.707 1.00 0.00 ATOM 842 CG LYS 117 0.209 -3.494 -12.316 1.00 0.00 ATOM 843 CD LYS 117 0.183 -4.384 -13.548 1.00 0.00 ATOM 844 CE LYS 117 1.571 -4.522 -14.155 1.00 0.00 ATOM 845 NZ LYS 117 1.560 -5.384 -15.370 1.00 0.00 ATOM 846 O LYS 117 -3.258 -3.159 -9.407 1.00 0.00 ATOM 847 C LYS 117 -2.685 -2.267 -10.031 1.00 0.00 ATOM 848 N VAL 118 -3.271 -1.112 -10.325 1.00 0.00 ATOM 849 CA VAL 118 -4.648 -0.851 -9.941 1.00 0.00 ATOM 850 CB VAL 118 -4.806 0.551 -9.323 1.00 0.00 ATOM 851 CG1 VAL 118 -6.262 0.818 -8.974 1.00 0.00 ATOM 852 CG2 VAL 118 -3.977 0.669 -8.052 1.00 0.00 ATOM 853 O VAL 118 -5.218 -0.316 -12.202 1.00 0.00 ATOM 854 C VAL 118 -5.511 -0.948 -11.187 1.00 0.00 ATOM 855 N VAL 119 -6.558 -1.764 -11.122 1.00 0.00 ATOM 856 CA VAL 119 -7.455 -1.906 -12.254 1.00 0.00 ATOM 857 CB VAL 119 -8.102 -3.303 -12.290 1.00 0.00 ATOM 858 CG1 VAL 119 -9.077 -3.409 -13.452 1.00 0.00 ATOM 859 CG2 VAL 119 -7.040 -4.378 -12.453 1.00 0.00 ATOM 860 O VAL 119 -9.235 -0.797 -11.078 1.00 0.00 ATOM 861 C VAL 119 -8.525 -0.838 -12.087 1.00 0.00 ATOM 862 N VAL 120 -8.627 0.035 -13.080 1.00 0.00 ATOM 863 CA VAL 120 -9.574 1.132 -13.031 1.00 0.00 ATOM 864 CB VAL 120 -8.862 2.495 -13.107 1.00 0.00 ATOM 865 CG1 VAL 120 -7.948 2.687 -11.907 1.00 0.00 ATOM 866 CG2 VAL 120 -8.023 2.589 -14.372 1.00 0.00 ATOM 867 O VAL 120 -10.295 0.609 -15.267 1.00 0.00 ATOM 868 C VAL 120 -10.578 1.105 -14.173 1.00 0.00 ATOM 869 N ALA 121 -11.764 1.629 -13.891 1.00 0.00 ATOM 870 CA ALA 121 -12.829 1.718 -14.874 1.00 0.00 ATOM 871 CB ALA 121 -14.099 1.074 -14.340 1.00 0.00 ATOM 872 O ALA 121 -13.174 3.984 -14.173 1.00 0.00 ATOM 873 C ALA 121 -13.036 3.207 -15.119 1.00 0.00 ATOM 874 N GLU 122 -13.049 3.606 -16.383 1.00 0.00 ATOM 875 CA GLU 122 -13.243 5.009 -16.715 1.00 0.00 ATOM 876 CB GLU 122 -12.479 5.367 -17.991 1.00 0.00 ATOM 877 CG GLU 122 -12.618 6.822 -18.409 1.00 0.00 ATOM 878 CD GLU 122 -11.860 7.135 -19.686 1.00 0.00 ATOM 879 OE1 GLU 122 -11.230 6.213 -20.244 1.00 0.00 ATOM 880 OE2 GLU 122 -11.898 8.304 -20.127 1.00 0.00 ATOM 881 O GLU 122 -15.345 4.724 -17.846 1.00 0.00 ATOM 882 C GLU 122 -14.727 5.280 -16.936 1.00 0.00 ATOM 883 N GLU 123 -15.297 6.122 -16.081 1.00 0.00 ATOM 884 CA GLU 123 -16.707 6.450 -16.195 1.00 0.00 ATOM 885 CB GLU 123 -17.401 6.304 -14.841 1.00 0.00 ATOM 886 CG GLU 123 -17.434 4.880 -14.309 1.00 0.00 ATOM 887 CD GLU 123 -18.121 4.775 -12.962 1.00 0.00 ATOM 888 OE1 GLU 123 -18.550 5.822 -12.432 1.00 0.00 ATOM 889 OE2 GLU 123 -18.234 3.647 -12.439 1.00 0.00 ATOM 890 O GLU 123 -16.017 8.502 -17.207 1.00 0.00 ATOM 891 C GLU 123 -16.924 7.872 -16.671 1.00 0.00 ATOM 892 N GLY 124 -18.131 8.383 -16.461 1.00 0.00 ATOM 893 CA GLY 124 -18.469 9.741 -16.875 1.00 0.00 ATOM 894 O GLY 124 -16.960 11.586 -16.645 1.00 0.00 ATOM 895 C GLY 124 -17.758 10.831 -16.095 1.00 0.00 ATOM 896 N GLU 125 -18.064 10.907 -14.805 1.00 0.00 ATOM 897 CA GLU 125 -17.492 11.924 -13.931 1.00 0.00 ATOM 898 CB GLU 125 -18.284 12.013 -12.624 1.00 0.00 ATOM 899 CG GLU 125 -19.708 12.516 -12.796 1.00 0.00 ATOM 900 CD GLU 125 -20.467 12.571 -11.484 1.00 0.00 ATOM 901 OE1 GLU 125 -19.865 12.262 -10.435 1.00 0.00 ATOM 902 OE2 GLU 125 -21.665 12.923 -11.507 1.00 0.00 ATOM 903 O GLU 125 -15.297 12.569 -13.219 1.00 0.00 ATOM 904 C GLU 125 -16.043 11.651 -13.551 1.00 0.00 ATOM 905 N GLN 126 -15.650 10.387 -13.596 1.00 0.00 ATOM 906 CA GLN 126 -14.291 10.032 -13.237 1.00 0.00 ATOM 907 CB GLN 126 -13.956 10.548 -11.836 1.00 0.00 ATOM 908 CG GLN 126 -14.786 9.919 -10.729 1.00 0.00 ATOM 909 CD GLN 126 -14.477 10.504 -9.364 1.00 0.00 ATOM 910 OE1 GLN 126 -13.612 11.370 -9.232 1.00 0.00 ATOM 911 NE2 GLN 126 -15.182 10.031 -8.344 1.00 0.00 ATOM 912 O GLN 126 -14.916 7.815 -13.850 1.00 0.00 ATOM 913 C GLN 126 -14.117 8.531 -13.249 1.00 0.00 ATOM 914 N ARG 127 -13.079 8.045 -12.578 1.00 0.00 ATOM 915 CA ARG 127 -12.825 6.614 -12.553 1.00 0.00 ATOM 916 CB ARG 127 -11.326 6.335 -12.666 1.00 0.00 ATOM 917 CG ARG 127 -10.716 6.745 -13.997 1.00 0.00 ATOM 918 CD ARG 127 -9.232 6.421 -14.050 1.00 0.00 ATOM 919 NE ARG 127 -8.611 6.896 -15.282 1.00 0.00 ATOM 920 CZ ARG 127 -8.717 6.284 -16.458 1.00 0.00 ATOM 921 NH1 ARG 127 -8.117 6.789 -17.526 1.00 0.00 ATOM 922 NH2 ARG 127 -9.423 5.166 -16.560 1.00 0.00 ATOM 923 O ARG 127 -13.699 6.553 -10.306 1.00 0.00 ATOM 924 C ARG 127 -13.301 5.919 -11.282 1.00 0.00 ATOM 925 N ALA 128 -13.251 4.595 -11.328 1.00 0.00 ATOM 926 CA ALA 128 -13.642 3.770 -10.204 1.00 0.00 ATOM 927 CB ALA 128 -15.038 3.206 -10.421 1.00 0.00 ATOM 928 O ALA 128 -12.213 2.091 -11.113 1.00 0.00 ATOM 929 C ALA 128 -12.639 2.643 -10.097 1.00 0.00 ATOM 930 N ILE 129 -12.244 2.307 -8.876 1.00 0.00 ATOM 931 CA ILE 129 -11.279 1.234 -8.658 1.00 0.00 ATOM 932 CB ILE 129 -10.521 1.417 -7.330 1.00 0.00 ATOM 933 CG1 ILE 129 -9.822 2.778 -7.297 1.00 0.00 ATOM 934 CG2 ILE 129 -9.470 0.330 -7.162 1.00 0.00 ATOM 935 CD1 ILE 129 -8.818 2.975 -8.412 1.00 0.00 ATOM 936 O ILE 129 -12.864 -0.335 -7.776 1.00 0.00 ATOM 937 C ILE 129 -11.989 -0.117 -8.614 1.00 0.00 ATOM 938 N LEU 130 -11.598 -1.020 -9.512 1.00 0.00 ATOM 939 CA LEU 130 -12.219 -2.338 -9.594 1.00 0.00 ATOM 940 CB LEU 130 -12.370 -2.770 -11.054 1.00 0.00 ATOM 941 CG LEU 130 -13.247 -1.878 -11.938 1.00 0.00 ATOM 942 CD1 LEU 130 -13.239 -2.373 -13.375 1.00 0.00 ATOM 943 CD2 LEU 130 -14.684 -1.877 -11.441 1.00 0.00 ATOM 944 O LEU 130 -11.989 -4.515 -8.644 1.00 0.00 ATOM 945 C LEU 130 -11.444 -3.450 -8.900 1.00 0.00 ATOM 946 N GLY 131 -10.166 -3.217 -8.623 1.00 0.00 ATOM 947 CA GLY 131 -9.375 -4.246 -7.976 1.00 0.00 ATOM 948 O GLY 131 -7.531 -2.943 -8.727 1.00 0.00 ATOM 949 C GLY 131 -7.903 -3.977 -8.179 1.00 0.00 ATOM 950 N VAL 132 -7.063 -4.902 -7.739 1.00 0.00 ATOM 951 CA VAL 132 -5.629 -4.714 -7.868 1.00 0.00 ATOM 952 CB VAL 132 -5.006 -4.208 -6.553 1.00 0.00 ATOM 953 CG1 VAL 132 -5.576 -2.848 -6.182 1.00 0.00 ATOM 954 CG2 VAL 132 -5.299 -5.178 -5.419 1.00 0.00 ATOM 955 O VAL 132 -5.437 -7.096 -8.048 1.00 0.00 ATOM 956 C VAL 132 -4.909 -6.000 -8.233 1.00 0.00 ATOM 957 N MET 133 -3.702 -5.848 -8.774 1.00 0.00 ATOM 958 CA MET 133 -2.845 -6.982 -9.103 1.00 0.00 ATOM 959 CB MET 133 -2.390 -6.902 -10.562 1.00 0.00 ATOM 960 CG MET 133 -1.480 -8.041 -10.991 1.00 0.00 ATOM 961 SD MET 133 -1.007 -7.938 -12.727 1.00 0.00 ATOM 962 CE MET 133 -2.592 -8.173 -13.526 1.00 0.00 ATOM 963 O MET 133 -0.809 -5.980 -8.339 1.00 0.00 ATOM 964 C MET 133 -1.698 -6.808 -8.124 1.00 0.00 ATOM 965 N ASP 134 -1.740 -7.575 -7.038 1.00 0.00 ATOM 966 CA ASP 134 -0.733 -7.501 -5.992 1.00 0.00 ATOM 967 CB ASP 134 -1.381 -7.653 -4.614 1.00 0.00 ATOM 968 CG ASP 134 -0.376 -7.546 -3.483 1.00 0.00 ATOM 969 OD1 ASP 134 0.834 -7.436 -3.772 1.00 0.00 ATOM 970 OD2 ASP 134 -0.799 -7.571 -2.308 1.00 0.00 ATOM 971 O ASP 134 -0.001 -9.779 -5.924 1.00 0.00 ATOM 972 C ASP 134 0.284 -8.617 -6.190 1.00 0.00 ATOM 973 N GLY 135 1.469 -8.264 -6.664 1.00 0.00 ATOM 974 CA GLY 135 2.478 -9.280 -6.877 1.00 0.00 ATOM 975 O GLY 135 1.423 -9.815 -8.964 1.00 0.00 ATOM 976 C GLY 135 2.132 -10.202 -8.030 1.00 0.00 ATOM 977 N PHE 136 2.594 -11.446 -7.937 1.00 0.00 ATOM 978 CA PHE 136 2.395 -12.422 -9.001 1.00 0.00 ATOM 979 CB PHE 136 3.720 -13.097 -9.364 1.00 0.00 ATOM 980 CG PHE 136 4.741 -12.155 -9.938 1.00 0.00 ATOM 981 CD1 PHE 136 5.744 -11.630 -9.143 1.00 0.00 ATOM 982 CD2 PHE 136 4.699 -11.795 -11.275 1.00 0.00 ATOM 983 CE1 PHE 136 6.684 -10.765 -9.669 1.00 0.00 ATOM 984 CE2 PHE 136 5.639 -10.930 -11.803 1.00 0.00 ATOM 985 CZ PHE 136 6.627 -10.415 -11.005 1.00 0.00 ATOM 986 O PHE 136 1.030 -13.820 -7.605 1.00 0.00 ATOM 987 C PHE 136 1.441 -13.573 -8.734 1.00 0.00 ATOM 988 N THR 137 1.127 -14.286 -9.811 1.00 0.00 ATOM 989 CA THR 137 0.289 -15.471 -9.763 1.00 0.00 ATOM 990 CB THR 137 -0.222 -15.858 -11.164 1.00 0.00 ATOM 991 CG2 THR 137 -0.995 -14.705 -11.787 1.00 0.00 ATOM 992 OG1 THR 137 0.890 -16.181 -12.008 1.00 0.00 ATOM 993 O THR 137 2.421 -16.483 -9.286 1.00 0.00 ATOM 994 C THR 137 1.190 -16.568 -9.190 1.00 0.00 ATOM 995 N PRO 138 0.597 -17.606 -8.581 1.00 0.00 ATOM 996 CA PRO 138 1.396 -18.693 -8.009 1.00 0.00 ATOM 997 CB PRO 138 0.399 -19.476 -7.153 1.00 0.00 ATOM 998 CG PRO 138 -0.923 -19.220 -7.795 1.00 0.00 ATOM 999 CD PRO 138 -0.872 -17.810 -8.311 1.00 0.00 ATOM 1000 O PRO 138 1.439 -19.725 -10.181 1.00 0.00 ATOM 1001 C PRO 138 2.010 -19.580 -9.098 1.00 0.00 ATOM 1002 N LEU 139 3.166 -20.168 -8.806 1.00 0.00 ATOM 1003 CA LEU 139 3.854 -21.016 -9.775 1.00 0.00 ATOM 1004 CB LEU 139 5.331 -20.630 -9.870 1.00 0.00 ATOM 1005 CG LEU 139 5.631 -19.202 -10.332 1.00 0.00 ATOM 1006 CD1 LEU 139 7.124 -18.918 -10.263 1.00 0.00 ATOM 1007 CD2 LEU 139 5.173 -18.993 -11.767 1.00 0.00 ATOM 1008 O LEU 139 4.313 -23.334 -10.170 1.00 0.00 ATOM 1009 C LEU 139 3.804 -22.498 -9.425 1.00 0.00 ATOM 1010 N GLY 140 3.192 -22.816 -8.291 1.00 0.00 ATOM 1011 CA GLY 140 3.084 -24.199 -7.870 1.00 0.00 ATOM 1012 O GLY 140 1.864 -23.331 -6.005 1.00 0.00 ATOM 1013 C GLY 140 2.403 -24.314 -6.521 1.00 0.00 ATOM 1014 N VAL 141 2.422 -25.518 -5.957 1.00 0.00 ATOM 1015 CA VAL 141 1.815 -25.780 -4.656 1.00 0.00 ATOM 1016 CB VAL 141 0.713 -26.851 -4.752 1.00 0.00 ATOM 1017 CG1 VAL 141 0.136 -27.148 -3.378 1.00 0.00 ATOM 1018 CG2 VAL 141 -0.416 -26.373 -5.654 1.00 0.00 ATOM 1019 O VAL 141 3.734 -27.104 -4.100 1.00 0.00 ATOM 1020 C VAL 141 2.908 -26.273 -3.715 1.00 0.00 ATOM 1021 N GLU 142 2.914 -25.766 -2.486 1.00 0.00 ATOM 1022 CA GLU 142 3.926 -26.167 -1.517 1.00 0.00 ATOM 1023 CB GLU 142 3.720 -25.429 -0.192 1.00 0.00 ATOM 1024 CG GLU 142 3.883 -23.921 -0.290 1.00 0.00 ATOM 1025 CD GLU 142 3.583 -23.217 1.019 1.00 0.00 ATOM 1026 OE1 GLU 142 3.228 -23.907 1.998 1.00 0.00 ATOM 1027 OE2 GLU 142 3.703 -21.974 1.067 1.00 0.00 ATOM 1028 O GLU 142 2.810 -28.290 -1.341 1.00 0.00 ATOM 1029 C GLU 142 3.866 -27.667 -1.234 1.00 0.00 TER END