PFRMAT TS TARGET T0214 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 Based on a hint from Alexey Muzin on the FORCASP web site, we started METHOD over on our predictions once 1t62A was added to the template library. METHOD Since 1t62A did not move to the top of our list for T0214, METHOD we also tried making a multiple alignment of T0213, T0214, and T0227 METHOD and using it as a seed for searches. That composite alignment (like METHOD T0213 by itself) did find 1t62A as the top hit. METHOD METHOD This is try6-opt2, the best-scoring model with an unconstrained METHOD undertaker costfcn. METHOD METHOD The hydrophobic cleft could be closed by a hinging motion at G99 and METHOD S59, but undertaker is not very good at finding hinging motions. METHOD METHOD REMARK 6 REMARK 6 T0214 model 1 Thu Aug 12 17:37:26 2004 MODEL 1 PARENT 1t62_A 1r53_A 1jn3_A 1dm9_A 1khi_A REMARK 7 REMARK 7 ALLPARENTS 1t62_A 1r53_A 1jn3_A 1dm9_A 1khi_A 1huz_A 1bpe REMARK 7 ALLPARENTS 1khi_A 1o5u_A 1fjg_Q 1uxx_X 1gmm_A 1jny_A 1o5u_A REMARK 7 ALLPARENTS 1i18_A 1p9k_A 1r6x_A 1pya_B 1g8f_A 1ojg_A 1f60_A REMARK 7 ALLPARENTS 1fjg_D 1e0t_A 1liu_A 1uhe_A 1r13_A ATOM 1 N MET 1 2.716 3.323 -3.674 1.00 0.00 ATOM 2 CA MET 1 3.635 3.891 -2.691 1.00 0.00 ATOM 3 CB MET 1 2.864 4.584 -1.562 1.00 0.00 ATOM 4 CG MET 1 3.743 5.388 -0.609 1.00 0.00 ATOM 5 SD MET 1 2.791 6.177 0.715 1.00 0.00 ATOM 6 CE MET 1 2.446 7.761 -0.103 1.00 0.00 ATOM 7 O MET 1 4.278 1.617 -2.211 1.00 0.00 ATOM 8 C MET 1 4.603 2.808 -2.217 1.00 0.00 ATOM 9 N GLU 2 5.783 3.194 -1.767 1.00 0.00 ATOM 10 CA GLU 2 6.765 2.254 -1.257 1.00 0.00 ATOM 11 CB GLU 2 8.147 2.945 -1.098 1.00 0.00 ATOM 12 CG GLU 2 9.034 2.773 -2.311 1.00 0.00 ATOM 13 CD GLU 2 8.990 1.351 -2.840 1.00 0.00 ATOM 14 OE1 GLU 2 9.020 0.402 -2.008 1.00 0.00 ATOM 15 OE2 GLU 2 8.925 1.185 -4.083 1.00 0.00 ATOM 16 O GLU 2 6.542 0.443 0.316 1.00 0.00 ATOM 17 C GLU 2 6.243 1.598 0.017 1.00 0.00 ATOM 18 N TRP 3 5.420 2.334 0.797 1.00 0.00 ATOM 19 CA TRP 3 4.903 1.822 2.053 1.00 0.00 ATOM 20 CB TRP 3 3.518 2.659 2.130 1.00 0.00 ATOM 21 CG TRP 3 2.965 3.111 3.402 1.00 0.00 ATOM 22 CD1 TRP 3 3.649 3.609 4.468 1.00 0.00 ATOM 23 CD2 TRP 3 1.602 3.110 3.740 1.00 0.00 ATOM 24 CE2 TRP 3 1.500 3.640 5.026 1.00 0.00 ATOM 25 CE3 TRP 3 0.486 2.707 3.074 1.00 0.00 ATOM 26 NE1 TRP 3 2.767 3.935 5.461 1.00 0.00 ATOM 27 CZ2 TRP 3 0.300 3.769 5.660 1.00 0.00 ATOM 28 CZ3 TRP 3 -0.708 2.851 3.717 1.00 0.00 ATOM 29 CH2 TRP 3 -0.785 3.378 4.986 1.00 0.00 ATOM 30 O TRP 3 4.028 -0.375 2.520 1.00 0.00 ATOM 31 C TRP 3 3.974 0.625 1.833 1.00 0.00 ATOM 32 N GLU 4 3.080 0.745 0.768 1.00 0.00 ATOM 33 CA GLU 4 2.173 -0.357 0.445 1.00 0.00 ATOM 34 CB GLU 4 1.125 -0.023 -0.554 1.00 0.00 ATOM 35 CG GLU 4 0.012 0.828 -0.021 1.00 0.00 ATOM 36 CD GLU 4 -0.989 1.261 -1.104 1.00 0.00 ATOM 37 OE1 GLU 4 -0.687 2.009 -2.014 1.00 0.00 ATOM 38 OE2 GLU 4 -2.177 0.927 -0.980 1.00 0.00 ATOM 39 O GLU 4 2.637 -2.688 0.142 1.00 0.00 ATOM 40 C GLU 4 2.964 -1.529 -0.140 1.00 0.00 ATOM 41 N MET 5 3.977 -1.276 -0.956 1.00 0.00 ATOM 42 CA MET 5 4.836 -2.372 -1.430 1.00 0.00 ATOM 43 CB MET 5 6.000 -1.818 -2.258 1.00 0.00 ATOM 44 CG MET 5 5.586 -1.240 -3.601 1.00 0.00 ATOM 45 SD MET 5 4.815 -2.462 -4.678 1.00 0.00 ATOM 46 CE MET 5 6.212 -3.518 -5.048 1.00 0.00 ATOM 47 O MET 5 5.513 -4.368 -0.279 1.00 0.00 ATOM 48 C MET 5 5.391 -3.126 -0.234 1.00 0.00 ATOM 49 N GLY 6 5.828 -2.399 0.784 1.00 0.00 ATOM 50 CA GLY 6 6.385 -3.029 1.969 1.00 0.00 ATOM 51 O GLY 6 5.515 -5.132 2.751 1.00 0.00 ATOM 52 C GLY 6 5.342 -3.915 2.633 1.00 0.00 ATOM 53 N LEU 7 4.247 -3.317 3.056 1.00 0.00 ATOM 54 CA LEU 7 3.170 -4.009 3.702 1.00 0.00 ATOM 55 CB LEU 7 2.674 -3.216 4.913 1.00 0.00 ATOM 56 CG LEU 7 3.703 -2.947 6.013 1.00 0.00 ATOM 57 CD1 LEU 7 3.102 -2.077 7.109 1.00 0.00 ATOM 58 CD2 LEU 7 4.172 -4.249 6.644 1.00 0.00 ATOM 59 O LEU 7 0.803 -4.243 3.263 1.00 0.00 ATOM 60 C LEU 7 1.960 -4.243 2.813 1.00 0.00 ATOM 61 N GLN 8 2.167 -4.594 1.481 1.00 0.00 ATOM 62 CA GLN 8 1.090 -4.969 0.583 1.00 0.00 ATOM 63 CB GLN 8 1.836 -5.849 -0.631 1.00 0.00 ATOM 64 CG GLN 8 1.187 -6.017 -1.995 1.00 0.00 ATOM 65 CD GLN 8 1.826 -5.158 -3.069 1.00 0.00 ATOM 66 OE1 GLN 8 3.045 -5.196 -3.273 1.00 0.00 ATOM 67 NE2 GLN 8 1.006 -4.379 -3.768 1.00 0.00 ATOM 68 O GLN 8 -0.831 -6.234 1.241 1.00 0.00 ATOM 69 C GLN 8 0.386 -6.209 1.118 1.00 0.00 ATOM 70 N GLU 9 1.148 -7.209 1.452 1.00 0.00 ATOM 71 CA GLU 9 0.575 -8.443 1.973 1.00 0.00 ATOM 72 CB GLU 9 1.666 -9.485 2.188 1.00 0.00 ATOM 73 CG GLU 9 1.192 -10.787 2.818 1.00 0.00 ATOM 74 CD GLU 9 2.215 -11.900 2.725 1.00 0.00 ATOM 75 OE1 GLU 9 3.323 -11.666 2.206 1.00 0.00 ATOM 76 OE2 GLU 9 1.899 -13.027 3.180 1.00 0.00 ATOM 77 O GLU 9 -1.312 -8.699 3.441 1.00 0.00 ATOM 78 C GLU 9 -0.171 -8.248 3.294 1.00 0.00 ATOM 79 N GLU 10 0.472 -7.561 4.240 1.00 0.00 ATOM 80 CA GLU 10 -0.110 -7.301 5.557 1.00 0.00 ATOM 81 CB GLU 10 0.758 -6.497 6.411 1.00 0.00 ATOM 82 CG GLU 10 0.293 -6.169 7.792 1.00 0.00 ATOM 83 CD GLU 10 0.452 -7.258 8.830 1.00 0.00 ATOM 84 OE1 GLU 10 1.030 -8.326 8.533 1.00 0.00 ATOM 85 OE2 GLU 10 -0.008 -7.038 9.963 1.00 0.00 ATOM 86 O GLU 10 -2.456 -6.928 5.920 1.00 0.00 ATOM 87 C GLU 10 -1.407 -6.513 5.419 1.00 0.00 ATOM 88 N PHE 11 -1.339 -5.366 4.752 1.00 0.00 ATOM 89 CA PHE 11 -2.522 -4.535 4.544 1.00 0.00 ATOM 90 CB PHE 11 -2.140 -3.222 3.857 1.00 0.00 ATOM 91 CG PHE 11 -1.339 -2.294 4.723 1.00 0.00 ATOM 92 CD1 PHE 11 -1.270 -2.488 6.091 1.00 0.00 ATOM 93 CD2 PHE 11 -0.652 -1.227 4.170 1.00 0.00 ATOM 94 CE1 PHE 11 -0.533 -1.634 6.889 1.00 0.00 ATOM 95 CE2 PHE 11 0.085 -0.374 4.967 1.00 0.00 ATOM 96 CZ PHE 11 0.146 -0.573 6.323 1.00 0.00 ATOM 97 O PHE 11 -4.740 -5.152 3.898 1.00 0.00 ATOM 98 C PHE 11 -3.534 -5.250 3.661 1.00 0.00 ATOM 99 N LEU 12 -3.084 -5.932 2.640 1.00 0.00 ATOM 100 CA LEU 12 -3.989 -6.650 1.750 1.00 0.00 ATOM 101 CB LEU 12 -3.293 -7.368 0.667 1.00 0.00 ATOM 102 CG LEU 12 -3.119 -6.531 -0.614 1.00 0.00 ATOM 103 CD1 LEU 12 -2.762 -5.070 -0.312 1.00 0.00 ATOM 104 CD2 LEU 12 -2.043 -7.189 -1.470 1.00 0.00 ATOM 105 O LEU 12 -5.989 -7.898 2.253 1.00 0.00 ATOM 106 C LEU 12 -4.795 -7.725 2.487 1.00 0.00 ATOM 107 N GLU 13 -4.136 -8.408 3.386 1.00 0.00 ATOM 108 CA GLU 13 -4.801 -9.446 4.179 1.00 0.00 ATOM 109 CB GLU 13 -3.878 -10.100 5.160 1.00 0.00 ATOM 110 CG GLU 13 -4.563 -11.176 6.013 1.00 0.00 ATOM 111 CD GLU 13 -3.574 -12.001 6.841 1.00 0.00 ATOM 112 OE1 GLU 13 -2.580 -11.417 7.321 1.00 0.00 ATOM 113 OE2 GLU 13 -3.798 -13.221 7.026 1.00 0.00 ATOM 114 O GLU 13 -6.962 -9.436 5.233 1.00 0.00 ATOM 115 C GLU 13 -5.861 -8.890 5.127 1.00 0.00 ATOM 116 N LEU 14 -5.508 -7.827 5.815 1.00 0.00 ATOM 117 CA LEU 14 -6.432 -7.191 6.751 1.00 0.00 ATOM 118 CB LEU 14 -5.814 -5.967 7.426 1.00 0.00 ATOM 119 CG LEU 14 -4.588 -6.271 8.292 1.00 0.00 ATOM 120 CD1 LEU 14 -4.121 -4.995 8.998 1.00 0.00 ATOM 121 CD2 LEU 14 -4.933 -7.363 9.294 1.00 0.00 ATOM 122 O LEU 14 -8.806 -6.818 6.628 1.00 0.00 ATOM 123 C LEU 14 -7.715 -6.742 6.060 1.00 0.00 ATOM 124 N ILE 15 -7.583 -6.275 4.785 1.00 0.00 ATOM 125 CA ILE 15 -8.722 -5.812 4.002 1.00 0.00 ATOM 126 CB ILE 15 -8.242 -5.131 2.707 1.00 0.00 ATOM 127 CG1 ILE 15 -7.500 -3.832 3.033 1.00 0.00 ATOM 128 CG2 ILE 15 -9.425 -4.799 1.810 1.00 0.00 ATOM 129 CD1 ILE 15 -6.769 -3.233 1.851 1.00 0.00 ATOM 130 O ILE 15 -10.849 -6.892 3.821 1.00 0.00 ATOM 131 C ILE 15 -9.642 -6.948 3.598 1.00 0.00 ATOM 132 N LYS 16 -9.050 -8.025 3.014 1.00 0.00 ATOM 133 CA LYS 16 -9.831 -9.190 2.635 1.00 0.00 ATOM 134 CB LYS 16 -8.924 -10.277 2.058 1.00 0.00 ATOM 135 CG LYS 16 -9.664 -11.521 1.592 1.00 0.00 ATOM 136 CD LYS 16 -8.715 -12.522 0.952 1.00 0.00 ATOM 137 CE LYS 16 -9.459 -13.756 0.467 1.00 0.00 ATOM 138 NZ LYS 16 -8.540 -14.746 -0.163 1.00 0.00 ATOM 139 O LYS 16 -11.712 -10.173 3.798 1.00 0.00 ATOM 140 C LYS 16 -10.559 -9.728 3.872 1.00 0.00 ATOM 141 N LEU 17 -9.806 -9.631 4.973 1.00 0.00 ATOM 142 CA LEU 17 -10.339 -10.109 6.240 1.00 0.00 ATOM 143 CB LEU 17 -9.237 -10.235 7.286 1.00 0.00 ATOM 144 CG LEU 17 -8.128 -11.228 6.950 1.00 0.00 ATOM 145 CD1 LEU 17 -7.031 -11.153 8.006 1.00 0.00 ATOM 146 CD2 LEU 17 -8.698 -12.608 6.865 1.00 0.00 ATOM 147 O LEU 17 -12.291 -9.631 7.526 1.00 0.00 ATOM 148 C LEU 17 -11.460 -9.211 6.738 1.00 0.00 ATOM 149 N ARG 18 -11.457 -7.890 6.300 1.00 0.00 ATOM 150 CA ARG 18 -12.459 -6.953 6.761 1.00 0.00 ATOM 151 CB ARG 18 -13.869 -7.521 6.197 1.00 0.00 ATOM 152 CG ARG 18 -14.133 -7.389 4.708 1.00 0.00 ATOM 153 CD ARG 18 -15.366 -8.216 4.315 1.00 0.00 ATOM 154 NE ARG 18 -16.518 -7.976 5.187 1.00 0.00 ATOM 155 CZ ARG 18 -17.208 -6.839 5.236 1.00 0.00 ATOM 156 NH1 ARG 18 -16.875 -5.819 4.460 1.00 0.00 ATOM 157 NH2 ARG 18 -18.228 -6.716 6.074 1.00 0.00 ATOM 158 O ARG 18 -12.805 -5.581 8.703 1.00 0.00 ATOM 159 C ARG 18 -12.019 -6.279 8.060 1.00 0.00 ATOM 160 N LYS 19 -10.739 -6.412 8.399 1.00 0.00 ATOM 161 CA LYS 19 -10.213 -5.794 9.609 1.00 0.00 ATOM 162 CB LYS 19 -9.056 -6.622 10.173 1.00 0.00 ATOM 163 CG LYS 19 -9.476 -7.961 10.753 1.00 0.00 ATOM 164 CD LYS 19 -8.283 -8.719 11.313 1.00 0.00 ATOM 165 CE LYS 19 -8.702 -10.059 11.898 1.00 0.00 ATOM 166 NZ LYS 19 -7.545 -10.804 12.461 1.00 0.00 ATOM 167 O LYS 19 -10.285 -3.383 9.796 1.00 0.00 ATOM 168 C LYS 19 -9.844 -4.370 9.186 1.00 0.00 ATOM 169 N LYS 20 -8.943 -4.289 8.102 1.00 0.00 ATOM 170 CA LYS 20 -8.509 -2.980 7.643 1.00 0.00 ATOM 171 CB LYS 20 -7.189 -2.618 7.854 1.00 0.00 ATOM 172 CG LYS 20 -6.782 -1.344 7.147 1.00 0.00 ATOM 173 CD LYS 20 -5.263 -1.122 7.417 1.00 0.00 ATOM 174 CE LYS 20 -4.682 -0.053 6.488 1.00 0.00 ATOM 175 NZ LYS 20 -4.829 1.301 6.976 1.00 0.00 ATOM 176 O LYS 20 -9.382 -2.803 5.421 1.00 0.00 ATOM 177 C LYS 20 -9.395 -2.366 6.575 1.00 0.00 ATOM 178 N LYS 21 -10.146 -1.337 6.949 1.00 0.00 ATOM 179 CA LYS 21 -11.062 -0.676 6.024 1.00 0.00 ATOM 180 CB LYS 21 -12.606 -0.851 6.878 1.00 0.00 ATOM 181 CG LYS 21 -12.841 -2.108 7.722 1.00 0.00 ATOM 182 CD LYS 21 -13.851 -1.931 8.844 1.00 0.00 ATOM 183 CE LYS 21 -15.257 -1.670 8.325 1.00 0.00 ATOM 184 NZ LYS 21 -16.239 -1.629 9.452 1.00 0.00 ATOM 185 O LYS 21 -11.542 1.385 4.993 1.00 0.00 ATOM 186 C LYS 21 -10.671 0.704 5.522 1.00 0.00 ATOM 187 N ILE 22 -9.329 0.999 5.912 1.00 0.00 ATOM 188 CA ILE 22 -8.892 2.328 5.479 1.00 0.00 ATOM 189 CB ILE 22 -9.007 3.345 6.626 1.00 0.00 ATOM 190 CG1 ILE 22 -8.122 2.941 7.815 1.00 0.00 ATOM 191 CG2 ILE 22 -10.453 3.520 7.066 1.00 0.00 ATOM 192 CD1 ILE 22 -8.003 4.052 8.846 1.00 0.00 ATOM 193 O ILE 22 -6.663 1.446 5.404 1.00 0.00 ATOM 194 C ILE 22 -7.425 2.361 5.090 1.00 0.00 ATOM 195 N GLU 23 -7.047 3.363 4.397 1.00 0.00 ATOM 196 CA GLU 23 -5.670 3.546 3.974 1.00 0.00 ATOM 197 CB GLU 23 -5.399 2.815 2.653 1.00 0.00 ATOM 198 CG GLU 23 -5.485 1.301 2.740 1.00 0.00 ATOM 199 CD GLU 23 -5.111 0.616 1.436 1.00 0.00 ATOM 200 OE1 GLU 23 -5.239 -0.625 1.360 1.00 0.00 ATOM 201 OE2 GLU 23 -4.685 1.312 0.489 1.00 0.00 ATOM 202 O GLU 23 -6.184 5.743 3.212 1.00 0.00 ATOM 203 C GLU 23 -5.392 5.034 3.831 1.00 0.00 ATOM 204 N GLY 24 -4.254 5.491 4.353 1.00 0.00 ATOM 205 CA GLY 24 -3.868 6.893 4.176 1.00 0.00 ATOM 206 O GLY 24 -1.734 6.353 3.254 1.00 0.00 ATOM 207 C GLY 24 -2.707 7.097 3.193 1.00 0.00 ATOM 208 N ARG 25 -2.822 8.105 2.346 1.00 0.00 ATOM 209 CA ARG 25 -1.779 8.428 1.443 1.00 0.00 ATOM 210 CB ARG 25 -2.230 8.237 -0.006 1.00 0.00 ATOM 211 CG ARG 25 -2.552 6.797 -0.372 1.00 0.00 ATOM 212 CD ARG 25 -2.948 6.674 -1.836 1.00 0.00 ATOM 213 NE ARG 25 -3.378 5.319 -2.175 1.00 0.00 ATOM 214 CZ ARG 25 -2.548 4.333 -2.498 1.00 0.00 ATOM 215 NH1 ARG 25 -3.030 3.133 -2.790 1.00 0.00 ATOM 216 NH2 ARG 25 -1.242 4.548 -2.526 1.00 0.00 ATOM 217 O ARG 25 -2.160 10.639 2.250 1.00 0.00 ATOM 218 C ARG 25 -1.381 9.874 1.685 1.00 0.00 ATOM 219 N LEU 26 -0.167 10.219 1.297 1.00 0.00 ATOM 220 CA LEU 26 0.301 11.591 1.486 1.00 0.00 ATOM 221 CB LEU 26 1.799 11.700 1.232 1.00 0.00 ATOM 222 CG LEU 26 2.581 10.910 2.279 1.00 0.00 ATOM 223 CD1 LEU 26 4.031 10.891 1.884 1.00 0.00 ATOM 224 CD2 LEU 26 2.441 11.498 3.679 1.00 0.00 ATOM 225 O LEU 26 -0.674 12.164 -0.597 1.00 0.00 ATOM 226 C LEU 26 -0.452 12.506 0.564 1.00 0.00 ATOM 227 N TYR 27 -0.950 13.680 1.120 1.00 0.00 ATOM 228 CA TYR 27 -1.704 14.662 0.343 1.00 0.00 ATOM 229 CB TYR 27 -2.442 15.591 1.315 1.00 0.00 ATOM 230 CG TYR 27 -3.423 16.538 0.661 1.00 0.00 ATOM 231 CD1 TYR 27 -4.670 16.094 0.230 1.00 0.00 ATOM 232 CD2 TYR 27 -3.118 17.896 0.501 1.00 0.00 ATOM 233 CE1 TYR 27 -5.602 16.982 -0.342 1.00 0.00 ATOM 234 CE2 TYR 27 -4.019 18.775 -0.059 1.00 0.00 ATOM 235 CZ TYR 27 -5.265 18.326 -0.480 1.00 0.00 ATOM 236 OH TYR 27 -6.182 19.210 -1.002 1.00 0.00 ATOM 237 O TYR 27 -1.012 15.625 -1.732 1.00 0.00 ATOM 238 C TYR 27 -0.784 15.501 -0.535 1.00 0.00 ATOM 239 N ASP 28 0.243 16.080 0.087 1.00 0.00 ATOM 240 CA ASP 28 1.193 16.927 -0.649 1.00 0.00 ATOM 241 CB ASP 28 2.194 17.592 0.264 1.00 0.00 ATOM 242 CG ASP 28 1.537 18.585 1.202 1.00 0.00 ATOM 243 OD1 ASP 28 0.492 19.157 0.829 1.00 0.00 ATOM 244 OD2 ASP 28 2.078 18.809 2.306 1.00 0.00 ATOM 245 O ASP 28 2.079 16.441 -2.866 1.00 0.00 ATOM 246 C ASP 28 1.902 16.067 -1.698 1.00 0.00 ATOM 247 N GLU 29 2.299 14.870 -1.308 1.00 0.00 ATOM 248 CA GLU 29 3.053 13.993 -2.182 1.00 0.00 ATOM 249 CB GLU 29 4.045 13.183 -1.287 1.00 0.00 ATOM 250 CG GLU 29 5.503 13.393 -1.732 1.00 0.00 ATOM 251 CD GLU 29 5.563 14.078 -3.074 1.00 0.00 ATOM 252 OE1 GLU 29 5.071 13.560 -4.087 1.00 0.00 ATOM 253 OE2 GLU 29 6.147 15.286 -3.018 1.00 0.00 ATOM 254 O GLU 29 2.592 12.734 -4.128 1.00 0.00 ATOM 255 C GLU 29 2.212 13.021 -2.979 1.00 0.00 ATOM 256 N LYS 30 1.143 12.461 -2.379 1.00 0.00 ATOM 257 CA LYS 30 0.537 11.292 -3.013 1.00 0.00 ATOM 258 CB LYS 30 0.635 10.096 -1.902 1.00 0.00 ATOM 259 CG LYS 30 0.533 8.693 -2.506 1.00 0.00 ATOM 260 CD LYS 30 1.718 8.200 -3.305 1.00 0.00 ATOM 261 CE LYS 30 1.589 6.709 -3.686 1.00 0.00 ATOM 262 NZ LYS 30 2.796 6.220 -4.433 1.00 0.00 ATOM 263 O LYS 30 -1.173 10.654 -4.579 1.00 0.00 ATOM 264 C LYS 30 -0.717 11.518 -3.813 1.00 0.00 ATOM 265 N ARG 31 -1.388 12.647 -3.673 1.00 0.00 ATOM 266 CA ARG 31 -2.628 12.884 -4.426 1.00 0.00 ATOM 267 CB ARG 31 -2.574 14.225 -5.193 1.00 0.00 ATOM 268 CG ARG 31 -2.668 15.428 -4.236 1.00 0.00 ATOM 269 CD ARG 31 -3.105 16.668 -4.971 1.00 0.00 ATOM 270 NE ARG 31 -2.222 16.924 -6.106 1.00 0.00 ATOM 271 CZ ARG 31 -1.063 17.579 -6.007 1.00 0.00 ATOM 272 NH1 ARG 31 -0.612 18.118 -4.895 1.00 0.00 ATOM 273 NH2 ARG 31 -0.323 17.740 -7.108 1.00 0.00 ATOM 274 O ARG 31 -3.963 11.316 -5.659 1.00 0.00 ATOM 275 C ARG 31 -3.871 12.046 -4.669 1.00 0.00 ATOM 276 N ARG 32 -4.975 12.140 -3.712 1.00 0.00 ATOM 277 CA ARG 32 -6.209 11.401 -3.882 1.00 0.00 ATOM 278 CB ARG 32 -6.117 10.011 -3.234 1.00 0.00 ATOM 279 CG ARG 32 -5.210 9.048 -3.964 1.00 0.00 ATOM 280 CD ARG 32 -5.682 8.848 -5.394 1.00 0.00 ATOM 281 NE ARG 32 -7.043 8.346 -5.538 1.00 0.00 ATOM 282 CZ ARG 32 -7.309 7.041 -5.611 1.00 0.00 ATOM 283 NH1 ARG 32 -6.331 6.144 -5.542 1.00 0.00 ATOM 284 NH2 ARG 32 -8.563 6.641 -5.747 1.00 0.00 ATOM 285 O ARG 32 -7.311 12.675 -2.157 1.00 0.00 ATOM 286 C ARG 32 -7.422 12.058 -3.220 1.00 0.00 ATOM 287 N GLN 33 -8.584 11.891 -3.847 1.00 0.00 ATOM 288 CA GLN 33 -9.827 12.473 -3.365 1.00 0.00 ATOM 289 CB GLN 33 -10.509 13.273 -4.477 1.00 0.00 ATOM 290 CG GLN 33 -9.656 14.394 -5.046 1.00 0.00 ATOM 291 CD GLN 33 -9.343 15.468 -4.024 1.00 0.00 ATOM 292 OE1 GLN 33 -10.238 15.982 -3.354 1.00 0.00 ATOM 293 NE2 GLN 33 -8.067 15.811 -3.899 1.00 0.00 ATOM 294 O GLN 33 -10.598 10.208 -3.157 1.00 0.00 ATOM 295 C GLN 33 -10.796 11.398 -2.897 1.00 0.00 ATOM 296 N ILE 34 -11.739 11.809 -2.048 1.00 0.00 ATOM 297 CA ILE 34 -12.776 10.918 -1.542 1.00 0.00 ATOM 298 CB ILE 34 -13.661 11.672 -0.529 1.00 0.00 ATOM 299 CG1 ILE 34 -14.678 10.712 0.095 1.00 0.00 ATOM 300 CG2 ILE 34 -14.378 12.835 -1.196 1.00 0.00 ATOM 301 CD1 ILE 34 -15.355 11.273 1.347 1.00 0.00 ATOM 302 O ILE 34 -13.262 8.566 -1.718 1.00 0.00 ATOM 303 C ILE 34 -13.602 9.718 -2.009 1.00 0.00 ATOM 304 N LYS 35 -14.810 9.869 -2.716 1.00 0.00 ATOM 305 CA LYS 35 -15.665 8.764 -3.183 1.00 0.00 ATOM 306 CB LYS 35 -17.143 9.449 -3.478 1.00 0.00 ATOM 307 CG LYS 35 -17.519 10.740 -2.765 1.00 0.00 ATOM 308 CD LYS 35 -18.753 11.363 -3.418 1.00 0.00 ATOM 309 CE LYS 35 -19.213 12.627 -2.704 1.00 0.00 ATOM 310 NZ LYS 35 -19.661 12.336 -1.321 1.00 0.00 ATOM 311 O LYS 35 -15.565 7.331 -5.050 1.00 0.00 ATOM 312 C LYS 35 -14.946 8.110 -4.343 1.00 0.00 ATOM 313 N PRO 36 -13.626 8.255 -4.463 1.00 0.00 ATOM 314 CA PRO 36 -12.946 7.636 -5.601 1.00 0.00 ATOM 315 CB PRO 36 -12.064 8.205 -6.268 1.00 0.00 ATOM 316 CG PRO 36 -11.837 9.556 -5.658 1.00 0.00 ATOM 317 CD PRO 36 -13.226 9.935 -5.212 1.00 0.00 ATOM 318 O PRO 36 -12.487 5.719 -4.230 1.00 0.00 ATOM 319 C PRO 36 -12.598 6.172 -5.371 1.00 0.00 ATOM 320 N GLY 37 -12.324 5.465 -6.461 1.00 0.00 ATOM 321 CA GLY 37 -11.989 4.053 -6.393 1.00 0.00 ATOM 322 O GLY 37 -9.795 4.544 -7.212 1.00 0.00 ATOM 323 C GLY 37 -10.542 3.729 -6.676 1.00 0.00 ATOM 324 N ASP 38 -10.130 2.456 -6.291 1.00 0.00 ATOM 325 CA ASP 38 -8.770 2.008 -6.521 1.00 0.00 ATOM 326 CB ASP 38 -7.836 2.462 -5.398 1.00 0.00 ATOM 327 CG ASP 38 -6.387 2.536 -5.838 1.00 0.00 ATOM 328 OD1 ASP 38 -6.116 2.295 -7.034 1.00 0.00 ATOM 329 OD2 ASP 38 -5.521 2.834 -4.988 1.00 0.00 ATOM 330 O ASP 38 -9.545 -0.164 -5.944 1.00 0.00 ATOM 331 C ASP 38 -8.775 0.499 -6.629 1.00 0.00 ATOM 332 N VAL 39 -7.939 -0.044 -7.503 1.00 0.00 ATOM 333 CA VAL 39 -7.841 -1.482 -7.675 1.00 0.00 ATOM 334 CB VAL 39 -7.892 -1.879 -9.166 1.00 0.00 ATOM 335 CG1 VAL 39 -6.614 -1.429 -9.874 1.00 0.00 ATOM 336 CG2 VAL 39 -8.089 -3.371 -9.299 1.00 0.00 ATOM 337 O VAL 39 -5.483 -1.399 -7.165 1.00 0.00 ATOM 338 C VAL 39 -6.567 -1.957 -6.962 1.00 0.00 ATOM 339 N ILE 40 -6.721 -2.957 -6.091 1.00 0.00 ATOM 340 CA ILE 40 -5.611 -3.489 -5.304 1.00 0.00 ATOM 341 CB ILE 40 -6.170 -3.838 -3.903 1.00 0.00 ATOM 342 CG1 ILE 40 -6.362 -2.491 -3.177 1.00 0.00 ATOM 343 CG2 ILE 40 -5.182 -4.737 -3.174 1.00 0.00 ATOM 344 CD1 ILE 40 -7.292 -2.621 -1.988 1.00 0.00 ATOM 345 O ILE 40 -5.769 -5.671 -6.264 1.00 0.00 ATOM 346 C ILE 40 -5.029 -4.769 -5.881 1.00 0.00 ATOM 347 N SER 41 -3.699 -4.821 -5.921 1.00 0.00 ATOM 348 CA SER 41 -2.933 -5.947 -6.450 1.00 0.00 ATOM 349 CB SER 41 -2.052 -5.498 -7.617 1.00 0.00 ATOM 350 OG SER 41 -2.837 -4.984 -8.678 1.00 0.00 ATOM 351 O SER 41 -1.841 -5.793 -4.339 1.00 0.00 ATOM 352 C SER 41 -2.065 -6.485 -5.327 1.00 0.00 ATOM 353 N PHE 42 -1.585 -7.718 -5.465 1.00 0.00 ATOM 354 CA PHE 42 -0.722 -8.297 -4.437 1.00 0.00 ATOM 355 CB PHE 42 -0.922 -9.811 -4.358 1.00 0.00 ATOM 356 CG PHE 42 -2.264 -10.219 -3.818 1.00 0.00 ATOM 357 CD1 PHE 42 -3.307 -10.528 -4.674 1.00 0.00 ATOM 358 CD2 PHE 42 -2.483 -10.292 -2.453 1.00 0.00 ATOM 359 CE1 PHE 42 -4.541 -10.901 -4.178 1.00 0.00 ATOM 360 CE2 PHE 42 -3.718 -10.666 -1.956 1.00 0.00 ATOM 361 CZ PHE 42 -4.743 -10.970 -2.813 1.00 0.00 ATOM 362 O PHE 42 1.073 -7.395 -5.756 1.00 0.00 ATOM 363 C PHE 42 0.743 -8.025 -4.748 1.00 0.00 ATOM 364 N GLU 43 1.677 -8.464 -3.816 1.00 0.00 ATOM 365 CA GLU 43 3.091 -8.227 -4.012 1.00 0.00 ATOM 366 CB GLU 43 3.908 -8.916 -2.918 1.00 0.00 ATOM 367 CG GLU 43 3.776 -8.274 -1.547 1.00 0.00 ATOM 368 CD GLU 43 4.526 -9.037 -0.472 1.00 0.00 ATOM 369 OE1 GLU 43 5.076 -10.115 -0.782 1.00 0.00 ATOM 370 OE2 GLU 43 4.563 -8.557 0.680 1.00 0.00 ATOM 371 O GLU 43 4.430 -8.093 -5.967 1.00 0.00 ATOM 372 C GLU 43 3.521 -8.674 -5.400 1.00 0.00 ATOM 373 N GLY 44 2.828 -9.700 -5.945 1.00 0.00 ATOM 374 CA GLY 44 3.107 -10.187 -7.283 1.00 0.00 ATOM 375 O GLY 44 2.611 -9.704 -9.545 1.00 0.00 ATOM 376 C GLY 44 2.405 -9.419 -8.381 1.00 0.00 ATOM 377 N GLY 45 1.616 -8.345 -8.004 1.00 0.00 ATOM 378 CA GLY 45 1.007 -7.471 -8.995 1.00 0.00 ATOM 379 O GLY 45 -0.644 -7.748 -10.696 1.00 0.00 ATOM 380 C GLY 45 -0.256 -8.074 -9.545 1.00 0.00 ATOM 381 N LYS 46 -0.954 -9.001 -8.779 1.00 0.00 ATOM 382 CA LYS 46 -2.161 -9.629 -9.238 1.00 0.00 ATOM 383 CB LYS 46 -2.045 -11.176 -9.174 1.00 0.00 ATOM 384 CG LYS 46 -1.034 -11.815 -10.112 1.00 0.00 ATOM 385 CD LYS 46 -1.271 -13.321 -10.189 1.00 0.00 ATOM 386 CE LYS 46 -0.368 -13.977 -11.221 1.00 0.00 ATOM 387 NZ LYS 46 1.070 -13.771 -10.892 1.00 0.00 ATOM 388 O LYS 46 -3.361 -8.855 -7.297 1.00 0.00 ATOM 389 C LYS 46 -3.346 -8.971 -8.523 1.00 0.00 ATOM 390 N LEU 47 -4.410 -8.583 -9.365 1.00 0.00 ATOM 391 CA LEU 47 -5.631 -8.002 -8.805 1.00 0.00 ATOM 392 CB LEU 47 -6.668 -7.968 -9.901 1.00 0.00 ATOM 393 CG LEU 47 -8.004 -7.374 -9.508 1.00 0.00 ATOM 394 CD1 LEU 47 -7.899 -5.884 -9.311 1.00 0.00 ATOM 395 CD2 LEU 47 -8.995 -7.741 -10.572 1.00 0.00 ATOM 396 O LEU 47 -6.743 -9.816 -7.715 1.00 0.00 ATOM 397 C LEU 47 -6.278 -8.679 -7.604 1.00 0.00 ATOM 398 N LYS 48 -6.318 -7.992 -6.479 1.00 0.00 ATOM 399 CA LYS 48 -6.961 -8.536 -5.293 1.00 0.00 ATOM 400 CB LYS 48 -6.290 -8.010 -4.024 1.00 0.00 ATOM 401 CG LYS 48 -6.957 -8.601 -2.778 1.00 0.00 ATOM 402 CD LYS 48 -6.191 -8.207 -1.520 1.00 0.00 ATOM 403 CE LYS 48 -6.971 -8.640 -0.277 1.00 0.00 ATOM 404 NZ LYS 48 -7.683 -9.937 -0.530 1.00 0.00 ATOM 405 O LYS 48 -9.296 -8.995 -5.008 1.00 0.00 ATOM 406 C LYS 48 -8.421 -8.098 -5.157 1.00 0.00 ATOM 407 N VAL 49 -8.698 -6.729 -5.247 1.00 0.00 ATOM 408 CA VAL 49 -10.062 -6.237 -5.137 1.00 0.00 ATOM 409 CB VAL 49 -10.574 -6.148 -3.649 1.00 0.00 ATOM 410 CG1 VAL 49 -10.603 -7.531 -3.026 1.00 0.00 ATOM 411 CG2 VAL 49 -9.678 -5.220 -2.835 1.00 0.00 ATOM 412 O VAL 49 -9.192 -4.173 -5.978 1.00 0.00 ATOM 413 C VAL 49 -10.179 -4.808 -5.609 1.00 0.00 ATOM 414 N ARG 50 -11.410 -4.315 -5.598 1.00 0.00 ATOM 415 CA ARG 50 -11.688 -2.935 -5.940 1.00 0.00 ATOM 416 CB ARG 50 -12.852 -2.782 -6.884 1.00 0.00 ATOM 417 CG ARG 50 -13.016 -1.294 -7.168 1.00 0.00 ATOM 418 CD ARG 50 -14.048 -0.903 -8.241 1.00 0.00 ATOM 419 NE ARG 50 -13.958 0.539 -8.570 1.00 0.00 ATOM 420 CZ ARG 50 -14.988 1.319 -8.905 1.00 0.00 ATOM 421 NH1 ARG 50 -16.209 0.818 -8.932 1.00 0.00 ATOM 422 NH2 ARG 50 -14.803 2.606 -9.194 1.00 0.00 ATOM 423 O ARG 50 -12.962 -3.106 -3.923 1.00 0.00 ATOM 424 C ARG 50 -12.292 -2.381 -4.663 1.00 0.00 ATOM 425 N VAL 51 -12.008 -1.131 -4.347 1.00 0.00 ATOM 426 CA VAL 51 -12.535 -0.523 -3.136 1.00 0.00 ATOM 427 CB VAL 51 -11.436 -0.245 -2.092 1.00 0.00 ATOM 428 CG1 VAL 51 -10.795 -1.547 -1.634 1.00 0.00 ATOM 429 CG2 VAL 51 -10.353 0.644 -2.681 1.00 0.00 ATOM 430 O VAL 51 -12.913 1.380 -4.529 1.00 0.00 ATOM 431 C VAL 51 -13.188 0.798 -3.484 1.00 0.00 ATOM 432 N LYS 52 -14.132 1.215 -2.654 1.00 0.00 ATOM 433 CA LYS 52 -14.792 2.488 -2.860 1.00 0.00 ATOM 434 CB LYS 52 -16.307 2.296 -2.955 1.00 0.00 ATOM 435 CG LYS 52 -17.076 3.573 -3.258 1.00 0.00 ATOM 436 CD LYS 52 -18.569 3.309 -3.345 1.00 0.00 ATOM 437 CE LYS 52 -19.335 4.580 -3.679 1.00 0.00 ATOM 438 NZ LYS 52 -20.782 4.312 -3.908 1.00 0.00 ATOM 439 O LYS 52 -14.506 2.891 -0.515 1.00 0.00 ATOM 440 C LYS 52 -14.432 3.346 -1.659 1.00 0.00 ATOM 441 N ALA 53 -14.010 4.578 -1.928 1.00 0.00 ATOM 442 CA ALA 53 -13.616 5.508 -0.873 1.00 0.00 ATOM 443 CB ALA 53 -12.628 6.525 -1.415 1.00 0.00 ATOM 444 O ALA 53 -15.758 6.565 -1.054 1.00 0.00 ATOM 445 C ALA 53 -14.899 6.096 -0.303 1.00 0.00 ATOM 446 N ILE 54 -15.018 6.058 1.032 1.00 0.00 ATOM 447 CA ILE 54 -16.205 6.602 1.675 1.00 0.00 ATOM 448 CB ILE 54 -16.733 5.685 2.794 1.00 0.00 ATOM 449 CG1 ILE 54 -15.674 5.511 3.884 1.00 0.00 ATOM 450 CG2 ILE 54 -17.085 4.314 2.240 1.00 0.00 ATOM 451 CD1 ILE 54 -16.179 4.795 5.118 1.00 0.00 ATOM 452 O ILE 54 -16.751 8.922 2.008 1.00 0.00 ATOM 453 C ILE 54 -15.952 8.010 2.204 1.00 0.00 ATOM 454 N ARG 55 -14.674 8.110 2.962 1.00 0.00 ATOM 455 CA ARG 55 -14.289 9.400 3.530 1.00 0.00 ATOM 456 CB ARG 55 -14.394 9.344 5.046 1.00 0.00 ATOM 457 CG ARG 55 -13.954 10.631 5.749 1.00 0.00 ATOM 458 CD ARG 55 -14.924 11.794 5.585 1.00 0.00 ATOM 459 NE ARG 55 -14.559 12.922 6.444 1.00 0.00 ATOM 460 CZ ARG 55 -14.802 12.982 7.752 1.00 0.00 ATOM 461 NH1 ARG 55 -15.440 11.999 8.377 1.00 0.00 ATOM 462 NH2 ARG 55 -14.406 14.040 8.440 1.00 0.00 ATOM 463 O ARG 55 -11.967 8.814 3.381 1.00 0.00 ATOM 464 C ARG 55 -12.803 9.719 3.382 1.00 0.00 ATOM 465 N VAL 56 -12.491 11.017 3.257 1.00 0.00 ATOM 466 CA VAL 56 -11.101 11.454 3.121 1.00 0.00 ATOM 467 CB VAL 56 -10.793 11.917 1.692 1.00 0.00 ATOM 468 CG1 VAL 56 -9.431 12.608 1.648 1.00 0.00 ATOM 469 CG2 VAL 56 -10.785 10.733 0.776 1.00 0.00 ATOM 470 O VAL 56 -11.372 13.629 4.105 1.00 0.00 ATOM 471 C VAL 56 -10.782 12.546 4.134 1.00 0.00 ATOM 472 N TYR 57 -9.802 12.280 4.971 1.00 0.00 ATOM 473 CA TYR 57 -9.418 13.223 6.008 1.00 0.00 ATOM 474 CB TYR 57 -9.758 12.642 7.379 1.00 0.00 ATOM 475 CG TYR 57 -9.432 13.570 8.527 1.00 0.00 ATOM 476 CD1 TYR 57 -10.036 14.822 8.632 1.00 0.00 ATOM 477 CD2 TYR 57 -8.509 13.200 9.504 1.00 0.00 ATOM 478 CE1 TYR 57 -9.727 15.685 9.678 1.00 0.00 ATOM 479 CE2 TYR 57 -8.196 14.054 10.556 1.00 0.00 ATOM 480 CZ TYR 57 -8.805 15.296 10.636 1.00 0.00 ATOM 481 OH TYR 57 -8.484 16.151 11.667 1.00 0.00 ATOM 482 O TYR 57 -7.120 12.592 5.840 1.00 0.00 ATOM 483 C TYR 57 -7.931 13.518 5.997 1.00 0.00 ATOM 484 N ASN 58 -7.566 14.793 5.926 1.00 0.00 ATOM 485 CA ASN 58 -6.144 15.169 5.934 1.00 0.00 ATOM 486 CB ASN 58 -5.982 16.595 5.404 1.00 0.00 ATOM 487 CG ASN 58 -6.334 16.713 3.934 1.00 0.00 ATOM 488 ND2 ASN 58 -6.690 17.920 3.509 1.00 0.00 ATOM 489 OD1 ASN 58 -6.283 15.733 3.193 1.00 0.00 ATOM 490 O ASN 58 -6.324 15.462 8.307 1.00 0.00 ATOM 491 C ASN 58 -5.629 15.073 7.366 1.00 0.00 ATOM 492 N SER 59 -4.449 14.486 7.536 1.00 0.00 ATOM 493 CA SER 59 -3.855 14.326 8.861 1.00 0.00 ATOM 494 CB SER 59 -4.091 12.906 9.287 1.00 0.00 ATOM 495 OG SER 59 -3.917 11.959 8.241 1.00 0.00 ATOM 496 O SER 59 -1.933 13.573 7.984 1.00 0.00 ATOM 497 C SER 59 -2.331 14.342 8.864 1.00 0.00 ATOM 498 N PHE 60 -1.463 14.120 9.948 1.00 0.00 ATOM 499 CA PHE 60 -0.765 12.949 10.461 1.00 0.00 ATOM 500 CB PHE 60 0.729 13.037 10.267 1.00 0.00 ATOM 501 CG PHE 60 1.460 11.803 10.714 1.00 0.00 ATOM 502 CD1 PHE 60 1.248 10.582 10.078 1.00 0.00 ATOM 503 CD2 PHE 60 2.345 11.857 11.782 1.00 0.00 ATOM 504 CE1 PHE 60 1.911 9.426 10.503 1.00 0.00 ATOM 505 CE2 PHE 60 3.012 10.713 12.217 1.00 0.00 ATOM 506 CZ PHE 60 2.792 9.494 11.575 1.00 0.00 ATOM 507 O PHE 60 -1.425 11.760 12.439 1.00 0.00 ATOM 508 C PHE 60 -0.963 12.797 11.965 1.00 0.00 ATOM 509 N ARG 61 -0.780 13.908 12.670 1.00 0.00 ATOM 510 CA ARG 61 -0.939 13.931 14.124 1.00 0.00 ATOM 511 CB ARG 61 -0.550 15.218 14.758 1.00 0.00 ATOM 512 CG ARG 61 0.996 15.310 14.904 1.00 0.00 ATOM 513 CD ARG 61 1.432 16.566 15.717 1.00 0.00 ATOM 514 NE ARG 61 1.229 17.796 14.961 1.00 0.00 ATOM 515 CZ ARG 61 2.018 18.227 13.974 1.00 0.00 ATOM 516 NH1 ARG 61 3.090 17.520 13.611 1.00 0.00 ATOM 517 NH2 ARG 61 1.749 19.381 13.371 1.00 0.00 ATOM 518 O ARG 61 -2.813 12.943 15.286 1.00 0.00 ATOM 519 C ARG 61 -2.443 13.761 14.436 1.00 0.00 ATOM 520 N GLU 62 -3.274 14.386 13.634 1.00 0.00 ATOM 521 CA GLU 62 -4.714 14.229 13.820 1.00 0.00 ATOM 522 CB GLU 62 -5.504 15.232 12.965 1.00 0.00 ATOM 523 CG GLU 62 -5.423 16.670 13.440 1.00 0.00 ATOM 524 CD GLU 62 -4.256 17.444 12.894 1.00 0.00 ATOM 525 OE1 GLU 62 -3.288 16.834 12.407 1.00 0.00 ATOM 526 OE2 GLU 62 -4.299 18.681 12.966 1.00 0.00 ATOM 527 O GLU 62 -6.009 12.232 14.199 1.00 0.00 ATOM 528 C GLU 62 -5.155 12.777 13.496 1.00 0.00 ATOM 529 N MET 63 -4.610 12.184 12.416 1.00 0.00 ATOM 530 CA MET 63 -4.942 10.817 12.062 1.00 0.00 ATOM 531 CB MET 63 -3.732 10.268 11.061 1.00 0.00 ATOM 532 CG MET 63 -4.039 9.106 10.142 1.00 0.00 ATOM 533 SD MET 63 -2.671 8.720 9.052 1.00 0.00 ATOM 534 CE MET 63 -1.608 7.773 10.146 1.00 0.00 ATOM 535 O MET 63 -5.248 8.912 13.495 1.00 0.00 ATOM 536 C MET 63 -4.521 9.851 13.169 1.00 0.00 ATOM 537 N LEU 64 -3.343 10.108 13.769 1.00 0.00 ATOM 538 CA LEU 64 -2.840 9.259 14.844 1.00 0.00 ATOM 539 CB LEU 64 -1.386 9.672 15.157 1.00 0.00 ATOM 540 CG LEU 64 -0.394 9.567 13.997 1.00 0.00 ATOM 541 CD1 LEU 64 0.985 10.011 14.461 1.00 0.00 ATOM 542 CD2 LEU 64 -0.350 8.132 13.488 1.00 0.00 ATOM 543 O LEU 64 -4.073 8.406 16.703 1.00 0.00 ATOM 544 C LEU 64 -3.742 9.393 16.074 1.00 0.00 ATOM 545 N GLU 65 -4.286 10.570 16.307 1.00 0.00 ATOM 546 CA GLU 65 -5.204 10.783 17.412 1.00 0.00 ATOM 547 CB GLU 65 -5.610 12.269 17.516 1.00 0.00 ATOM 548 CG GLU 65 -6.561 12.561 18.678 1.00 0.00 ATOM 549 CD GLU 65 -5.977 12.290 20.074 1.00 0.00 ATOM 550 OE1 GLU 65 -6.785 12.125 21.021 1.00 0.00 ATOM 551 OE2 GLU 65 -4.734 12.252 20.233 1.00 0.00 ATOM 552 O GLU 65 -6.924 9.331 18.230 1.00 0.00 ATOM 553 C GLU 65 -6.516 10.007 17.288 1.00 0.00 ATOM 554 N LYS 66 -7.186 10.117 16.140 1.00 0.00 ATOM 555 CA LYS 66 -8.453 9.420 15.933 1.00 0.00 ATOM 556 CB LYS 66 -9.044 9.688 14.487 1.00 0.00 ATOM 557 CG LYS 66 -8.629 11.018 13.859 1.00 0.00 ATOM 558 CD LYS 66 -9.477 12.181 14.349 1.00 0.00 ATOM 559 CE LYS 66 -10.729 12.329 13.501 1.00 0.00 ATOM 560 NZ LYS 66 -11.840 12.823 14.366 1.00 0.00 ATOM 561 O LYS 66 -9.040 7.296 16.752 1.00 0.00 ATOM 562 C LYS 66 -8.300 7.914 15.976 1.00 0.00 ATOM 563 N GLU 67 -7.229 7.350 15.441 1.00 0.00 ATOM 564 CA GLU 67 -7.046 5.899 15.472 1.00 0.00 ATOM 565 CB GLU 67 -6.266 5.461 14.160 1.00 0.00 ATOM 566 CG GLU 67 -7.089 5.222 12.916 1.00 0.00 ATOM 567 CD GLU 67 -7.665 6.417 12.204 1.00 0.00 ATOM 568 OE1 GLU 67 -6.932 7.114 11.464 1.00 0.00 ATOM 569 OE2 GLU 67 -8.881 6.687 12.350 1.00 0.00 ATOM 570 O GLU 67 -6.588 4.206 17.111 1.00 0.00 ATOM 571 C GLU 67 -6.750 5.408 16.890 1.00 0.00 ATOM 572 N GLY 68 -6.484 6.353 17.786 1.00 0.00 ATOM 573 CA GLY 68 -6.152 6.012 19.157 1.00 0.00 ATOM 574 O GLY 68 -4.507 5.093 20.545 1.00 0.00 ATOM 575 C GLY 68 -4.731 5.679 19.489 1.00 0.00 ATOM 576 N LEU 69 -3.759 6.000 18.603 1.00 0.00 ATOM 577 CA LEU 69 -2.356 5.687 18.874 1.00 0.00 ATOM 578 CB LEU 69 -1.460 6.129 17.738 1.00 0.00 ATOM 579 CG LEU 69 -1.776 5.382 16.410 1.00 0.00 ATOM 580 CD1 LEU 69 -0.712 5.717 15.378 1.00 0.00 ATOM 581 CD2 LEU 69 -1.922 3.874 16.616 1.00 0.00 ATOM 582 O LEU 69 -1.010 5.905 20.838 1.00 0.00 ATOM 583 C LEU 69 -1.847 6.428 20.100 1.00 0.00 ATOM 584 N GLU 70 -2.376 7.610 20.312 1.00 0.00 ATOM 585 CA GLU 70 -1.972 8.377 21.483 1.00 0.00 ATOM 586 CB GLU 70 -2.587 9.713 21.551 1.00 0.00 ATOM 587 CG GLU 70 -2.192 10.548 22.790 1.00 0.00 ATOM 588 CD GLU 70 -0.704 10.681 23.127 1.00 0.00 ATOM 589 OE1 GLU 70 0.159 10.402 22.295 1.00 0.00 ATOM 590 OE2 GLU 70 -0.394 11.063 24.250 1.00 0.00 ATOM 591 O GLU 70 -1.605 7.464 23.639 1.00 0.00 ATOM 592 C GLU 70 -2.403 7.619 22.715 1.00 0.00 ATOM 593 N ASN 71 -3.593 7.168 22.846 1.00 0.00 ATOM 594 CA ASN 71 -4.005 6.395 24.032 1.00 0.00 ATOM 595 CB ASN 71 -5.516 6.103 23.980 1.00 0.00 ATOM 596 CG ASN 71 -6.338 7.336 24.241 1.00 0.00 ATOM 597 ND2 ASN 71 -7.542 7.382 23.691 1.00 0.00 ATOM 598 OD1 ASN 71 -5.915 8.219 24.938 1.00 0.00 ATOM 599 O ASN 71 -2.653 4.751 25.206 1.00 0.00 ATOM 600 C ASN 71 -3.217 5.062 24.134 1.00 0.00 ATOM 601 N VAL 72 -3.055 4.369 23.022 1.00 0.00 ATOM 602 CA VAL 72 -2.304 3.116 22.985 1.00 0.00 ATOM 603 CB VAL 72 -3.235 1.876 22.897 1.00 0.00 ATOM 604 CG1 VAL 72 -2.408 0.595 22.901 1.00 0.00 ATOM 605 CG2 VAL 72 -4.233 1.867 24.046 1.00 0.00 ATOM 606 O VAL 72 -1.935 3.377 20.637 1.00 0.00 ATOM 607 C VAL 72 -1.422 3.159 21.733 1.00 0.00 ATOM 608 N LEU 73 -0.109 3.241 21.925 1.00 0.00 ATOM 609 CA LEU 73 0.824 3.302 20.802 1.00 0.00 ATOM 610 CB LEU 73 1.988 4.239 21.142 1.00 0.00 ATOM 611 CG LEU 73 1.758 5.739 21.031 1.00 0.00 ATOM 612 CD1 LEU 73 3.004 6.447 21.491 1.00 0.00 ATOM 613 CD2 LEU 73 1.437 6.114 19.582 1.00 0.00 ATOM 614 O LEU 73 1.692 1.136 21.378 1.00 0.00 ATOM 615 C LEU 73 1.414 1.930 20.478 1.00 0.00 ATOM 616 N PRO 74 1.266 2.072 18.373 1.00 0.00 ATOM 617 CA PRO 74 2.579 1.583 17.959 1.00 0.00 ATOM 618 CB PRO 74 2.611 0.187 18.460 1.00 0.00 ATOM 619 CG PRO 74 1.195 -0.261 18.395 1.00 0.00 ATOM 620 CD PRO 74 0.323 0.955 18.555 1.00 0.00 ATOM 621 O PRO 74 3.805 1.555 15.884 1.00 0.00 ATOM 622 C PRO 74 2.702 1.468 16.426 1.00 0.00 ATOM 623 N GLY 75 1.565 1.558 15.738 1.00 0.00 ATOM 624 CA GLY 75 1.517 1.475 14.279 1.00 0.00 ATOM 625 O GLY 75 2.475 2.797 12.510 1.00 0.00 ATOM 626 C GLY 75 2.069 2.768 13.671 1.00 0.00 ATOM 627 N VAL 76 1.996 3.841 14.462 1.00 0.00 ATOM 628 CA VAL 76 2.463 5.155 14.023 1.00 0.00 ATOM 629 CB VAL 76 2.406 6.219 15.037 1.00 0.00 ATOM 630 CG1 VAL 76 3.255 5.916 16.274 1.00 0.00 ATOM 631 CG2 VAL 76 2.812 7.540 14.409 1.00 0.00 ATOM 632 O VAL 76 4.506 5.608 12.838 1.00 0.00 ATOM 633 C VAL 76 3.973 5.047 13.796 1.00 0.00 ATOM 634 N LYS 77 4.652 4.238 14.709 1.00 0.00 ATOM 635 CA LYS 77 6.089 4.003 14.574 1.00 0.00 ATOM 636 CB LYS 77 6.619 2.998 15.574 1.00 0.00 ATOM 637 CG LYS 77 6.477 3.536 16.984 1.00 0.00 ATOM 638 CD LYS 77 6.929 2.512 18.010 1.00 0.00 ATOM 639 CE LYS 77 6.839 3.089 19.417 1.00 0.00 ATOM 640 NZ LYS 77 6.610 1.987 20.393 1.00 0.00 ATOM 641 O LYS 77 7.215 3.968 12.454 1.00 0.00 ATOM 642 C LYS 77 6.405 3.421 13.199 1.00 0.00 ATOM 643 N SER 78 5.695 2.362 12.837 1.00 0.00 ATOM 644 CA SER 78 5.902 1.695 11.561 1.00 0.00 ATOM 645 CB SER 78 5.018 0.450 11.455 1.00 0.00 ATOM 646 OG SER 78 5.404 -0.530 12.403 1.00 0.00 ATOM 647 O SER 78 6.332 2.642 9.400 1.00 0.00 ATOM 648 C SER 78 5.570 2.589 10.363 1.00 0.00 ATOM 649 N ILE 79 4.445 3.300 10.417 1.00 0.00 ATOM 650 CA ILE 79 4.082 4.170 9.305 1.00 0.00 ATOM 651 CB ILE 79 2.673 4.766 9.490 1.00 0.00 ATOM 652 CG1 ILE 79 1.613 3.668 9.379 1.00 0.00 ATOM 653 CG2 ILE 79 2.395 5.815 8.425 1.00 0.00 ATOM 654 CD1 ILE 79 0.230 4.111 9.804 1.00 0.00 ATOM 655 O ILE 79 5.385 5.676 8.005 1.00 0.00 ATOM 656 C ILE 79 5.084 5.264 9.143 1.00 0.00 ATOM 657 N GLU 80 5.475 5.827 10.217 1.00 0.00 ATOM 658 CA GLU 80 6.454 6.888 10.174 1.00 0.00 ATOM 659 CB GLU 80 6.766 7.380 11.588 1.00 0.00 ATOM 660 CG GLU 80 7.624 8.635 11.635 1.00 0.00 ATOM 661 CD GLU 80 7.864 9.125 13.048 1.00 0.00 ATOM 662 OE1 GLU 80 7.344 8.493 13.993 1.00 0.00 ATOM 663 OE2 GLU 80 8.572 10.140 13.212 1.00 0.00 ATOM 664 O GLU 80 8.239 7.105 8.597 1.00 0.00 ATOM 665 C GLU 80 7.740 6.428 9.494 1.00 0.00 ATOM 666 N GLU 81 8.160 5.219 9.789 1.00 0.00 ATOM 667 CA GLU 81 9.371 4.686 9.178 1.00 0.00 ATOM 668 CB GLU 81 9.808 3.416 9.919 1.00 0.00 ATOM 669 CG GLU 81 10.353 3.734 11.303 1.00 0.00 ATOM 670 CD GLU 81 10.432 2.533 12.219 1.00 0.00 ATOM 671 OE1 GLU 81 10.094 1.411 11.788 1.00 0.00 ATOM 672 OE2 GLU 81 10.835 2.727 13.385 1.00 0.00 ATOM 673 O GLU 81 10.001 4.699 6.870 1.00 0.00 ATOM 674 C GLU 81 9.139 4.419 7.696 1.00 0.00 ATOM 675 N GLY 82 7.983 3.819 7.370 1.00 0.00 ATOM 676 CA GLY 82 7.654 3.501 5.991 1.00 0.00 ATOM 677 O GLY 82 8.411 4.906 4.177 1.00 0.00 ATOM 678 C GLY 82 7.636 4.773 5.133 1.00 0.00 ATOM 679 N ILE 83 6.873 5.764 5.585 1.00 0.00 ATOM 680 CA ILE 83 6.722 7.022 4.862 1.00 0.00 ATOM 681 CB ILE 83 5.433 7.711 5.407 1.00 0.00 ATOM 682 CG1 ILE 83 4.181 6.920 5.068 1.00 0.00 ATOM 683 CG2 ILE 83 5.296 9.150 4.906 1.00 0.00 ATOM 684 CD1 ILE 83 2.927 7.333 5.781 1.00 0.00 ATOM 685 O ILE 83 8.328 8.586 4.017 1.00 0.00 ATOM 686 C ILE 83 8.021 7.822 4.931 1.00 0.00 ATOM 687 N GLN 84 8.814 7.602 5.978 1.00 0.00 ATOM 688 CA GLN 84 10.083 8.310 6.094 1.00 0.00 ATOM 689 CB GLN 84 10.983 7.497 7.242 1.00 0.00 ATOM 690 CG GLN 84 12.020 8.234 8.095 1.00 0.00 ATOM 691 CD GLN 84 12.790 7.319 9.043 1.00 0.00 ATOM 692 OE1 GLN 84 12.304 6.259 9.441 1.00 0.00 ATOM 693 NE2 GLN 84 13.983 7.744 9.443 1.00 0.00 ATOM 694 O GLN 84 11.812 8.722 4.490 1.00 0.00 ATOM 695 C GLN 84 10.989 7.926 4.934 1.00 0.00 ATOM 696 N VAL 85 10.790 6.715 4.420 1.00 0.00 ATOM 697 CA VAL 85 11.570 6.212 3.296 1.00 0.00 ATOM 698 CB VAL 85 11.719 4.666 3.354 1.00 0.00 ATOM 699 CG1 VAL 85 12.391 4.099 2.101 1.00 0.00 ATOM 700 CG2 VAL 85 12.501 4.225 4.608 1.00 0.00 ATOM 701 O VAL 85 11.694 6.980 1.036 1.00 0.00 ATOM 702 C VAL 85 10.965 6.628 1.963 1.00 0.00 ATOM 703 N TYR 86 9.652 6.461 1.816 1.00 0.00 ATOM 704 CA TYR 86 8.999 6.841 0.570 1.00 0.00 ATOM 705 CB TYR 86 7.484 6.656 0.678 1.00 0.00 ATOM 706 CG TYR 86 6.726 7.055 -0.567 1.00 0.00 ATOM 707 CD1 TYR 86 6.684 6.219 -1.675 1.00 0.00 ATOM 708 CD2 TYR 86 6.056 8.271 -0.632 1.00 0.00 ATOM 709 CE1 TYR 86 5.994 6.578 -2.816 1.00 0.00 ATOM 710 CE2 TYR 86 5.361 8.646 -1.767 1.00 0.00 ATOM 711 CZ TYR 86 5.336 7.784 -2.864 1.00 0.00 ATOM 712 OH TYR 86 4.647 8.143 -4.001 1.00 0.00 ATOM 713 O TYR 86 9.407 8.683 -0.919 1.00 0.00 ATOM 714 C TYR 86 9.288 8.301 0.251 1.00 0.00 ATOM 715 N ARG 87 9.325 9.130 1.293 1.00 0.00 ATOM 716 CA ARG 87 9.596 10.546 1.122 1.00 0.00 ATOM 717 CB ARG 87 8.905 11.040 2.686 1.00 0.00 ATOM 718 CG ARG 87 8.764 12.465 2.901 1.00 0.00 ATOM 719 CD ARG 87 8.221 12.643 4.282 1.00 0.00 ATOM 720 NE ARG 87 9.308 12.571 5.221 1.00 0.00 ATOM 721 CZ ARG 87 9.185 12.487 6.593 1.00 0.00 ATOM 722 NH1 ARG 87 8.022 12.426 7.293 1.00 0.00 ATOM 723 NH2 ARG 87 10.286 12.469 7.329 1.00 0.00 ATOM 724 O ARG 87 11.365 11.889 0.225 1.00 0.00 ATOM 725 C ARG 87 11.067 10.894 0.889 1.00 0.00 ATOM 726 N ARG 88 11.936 9.915 1.101 1.00 0.00 ATOM 727 CA ARG 88 13.373 10.104 0.952 1.00 0.00 ATOM 728 CB ARG 88 14.088 8.768 1.362 1.00 0.00 ATOM 729 CG ARG 88 15.580 8.786 1.156 1.00 0.00 ATOM 730 CD ARG 88 16.352 7.590 1.759 1.00 0.00 ATOM 731 NE ARG 88 15.877 6.266 1.331 1.00 0.00 ATOM 732 CZ ARG 88 16.301 5.588 0.268 1.00 0.00 ATOM 733 NH1 ARG 88 17.212 6.085 -0.586 1.00 0.00 ATOM 734 NH2 ARG 88 15.785 4.384 0.030 1.00 0.00 ATOM 735 O ARG 88 14.553 11.391 -0.690 1.00 0.00 ATOM 736 C ARG 88 13.726 10.508 -0.477 1.00 0.00 ATOM 737 N PHE 89 13.099 9.884 -1.442 1.00 0.00 ATOM 738 CA PHE 89 13.338 10.174 -2.853 1.00 0.00 ATOM 739 CB PHE 89 12.440 9.172 -3.765 1.00 0.00 ATOM 740 CG PHE 89 12.275 7.696 -3.466 1.00 0.00 ATOM 741 CD1 PHE 89 13.343 6.811 -3.559 1.00 0.00 ATOM 742 CD2 PHE 89 11.043 7.206 -3.110 1.00 0.00 ATOM 743 CE1 PHE 89 13.146 5.448 -3.291 1.00 0.00 ATOM 744 CE2 PHE 89 10.844 5.855 -2.817 1.00 0.00 ATOM 745 CZ PHE 89 11.876 4.982 -2.914 1.00 0.00 ATOM 746 O PHE 89 12.965 11.880 -4.477 1.00 0.00 ATOM 747 C PHE 89 12.827 11.553 -3.299 1.00 0.00 ATOM 748 N TYR 90 11.873 12.119 -2.567 1.00 0.00 ATOM 749 CA TYR 90 11.357 13.439 -2.915 1.00 0.00 ATOM 750 CB TYR 90 9.833 13.403 -3.038 1.00 0.00 ATOM 751 CG TYR 90 9.327 12.495 -4.133 1.00 0.00 ATOM 752 CD1 TYR 90 8.793 11.247 -3.831 1.00 0.00 ATOM 753 CD2 TYR 90 9.383 12.883 -5.465 1.00 0.00 ATOM 754 CE1 TYR 90 8.328 10.407 -4.826 1.00 0.00 ATOM 755 CE2 TYR 90 8.923 12.056 -6.473 1.00 0.00 ATOM 756 CZ TYR 90 8.393 10.809 -6.140 1.00 0.00 ATOM 757 OH TYR 90 7.931 9.977 -7.133 1.00 0.00 ATOM 758 O TYR 90 12.509 14.301 -1.015 1.00 0.00 ATOM 759 C TYR 90 11.629 14.502 -1.853 1.00 0.00 ATOM 760 N ASP 91 10.941 15.717 -1.869 1.00 0.00 ATOM 761 CA ASP 91 11.203 16.799 -0.914 1.00 0.00 ATOM 762 CB ASP 91 10.630 18.164 -1.297 1.00 0.00 ATOM 763 CG ASP 91 11.091 19.269 -0.368 1.00 0.00 ATOM 764 OD1 ASP 91 11.924 18.990 0.521 1.00 0.00 ATOM 765 OD2 ASP 91 10.623 20.415 -0.531 1.00 0.00 ATOM 766 O ASP 91 9.487 16.683 0.791 1.00 0.00 ATOM 767 C ASP 91 10.564 16.245 0.361 1.00 0.00 ATOM 768 N GLU 92 11.235 15.231 0.919 1.00 0.00 ATOM 769 CA GLU 92 10.753 14.561 2.106 1.00 0.00 ATOM 770 CB GLU 92 12.161 13.724 2.621 1.00 0.00 ATOM 771 CG GLU 92 13.193 13.310 1.591 1.00 0.00 ATOM 772 CD GLU 92 14.535 12.982 2.208 1.00 0.00 ATOM 773 OE1 GLU 92 14.554 12.470 3.345 1.00 0.00 ATOM 774 OE2 GLU 92 15.569 13.229 1.555 1.00 0.00 ATOM 775 O GLU 92 9.830 15.271 4.164 1.00 0.00 ATOM 776 C GLU 92 10.713 15.451 3.332 1.00 0.00 ATOM 777 N GLU 93 11.593 16.478 3.436 1.00 0.00 ATOM 778 CA GLU 93 11.581 17.395 4.584 1.00 0.00 ATOM 779 CB GLU 93 12.818 18.261 4.564 1.00 0.00 ATOM 780 CG GLU 93 14.069 17.506 5.014 1.00 0.00 ATOM 781 CD GLU 93 15.331 18.351 4.941 1.00 0.00 ATOM 782 OE1 GLU 93 16.299 18.030 5.671 1.00 0.00 ATOM 783 OE2 GLU 93 15.365 19.319 4.151 1.00 0.00 ATOM 784 O GLU 93 9.594 18.321 5.540 1.00 0.00 ATOM 785 C GLU 93 10.327 18.260 4.552 1.00 0.00 ATOM 786 N LYS 94 9.976 18.726 3.381 1.00 0.00 ATOM 787 CA LYS 94 8.772 19.540 3.250 1.00 0.00 ATOM 788 CB LYS 94 8.700 20.201 1.867 1.00 0.00 ATOM 789 CG LYS 94 7.549 21.196 1.758 1.00 0.00 ATOM 790 CD LYS 94 7.602 21.996 0.490 1.00 0.00 ATOM 791 CE LYS 94 6.379 22.893 0.420 1.00 0.00 ATOM 792 NZ LYS 94 6.192 23.481 -0.935 1.00 0.00 ATOM 793 O LYS 94 6.631 19.182 4.296 1.00 0.00 ATOM 794 C LYS 94 7.527 18.711 3.587 1.00 0.00 ATOM 795 N GLU 95 7.511 17.503 3.100 1.00 0.00 ATOM 796 CA GLU 95 6.378 16.608 3.344 1.00 0.00 ATOM 797 CB GLU 95 6.601 15.295 2.533 1.00 0.00 ATOM 798 CG GLU 95 6.337 15.356 1.035 1.00 0.00 ATOM 799 CD GLU 95 4.876 15.590 0.704 1.00 0.00 ATOM 800 OE1 GLU 95 3.999 15.098 1.449 1.00 0.00 ATOM 801 OE2 GLU 95 4.601 16.256 -0.318 1.00 0.00 ATOM 802 O GLU 95 5.061 15.951 5.207 1.00 0.00 ATOM 803 C GLU 95 6.201 16.188 4.798 1.00 0.00 ATOM 804 N LYS 96 7.258 15.825 5.524 1.00 0.00 ATOM 805 CA LYS 96 7.215 15.562 6.951 1.00 0.00 ATOM 806 CB LYS 96 8.633 15.431 7.514 1.00 0.00 ATOM 807 CG LYS 96 8.682 15.125 9.002 1.00 0.00 ATOM 808 CD LYS 96 10.115 14.935 9.477 1.00 0.00 ATOM 809 CE LYS 96 10.168 14.660 10.971 1.00 0.00 ATOM 810 NZ LYS 96 11.564 14.465 11.451 1.00 0.00 ATOM 811 O LYS 96 5.739 16.345 8.648 1.00 0.00 ATOM 812 C LYS 96 6.522 16.657 7.743 1.00 0.00 ATOM 813 N LYS 97 6.755 17.892 7.329 1.00 0.00 ATOM 814 CA LYS 97 6.147 19.001 8.038 1.00 0.00 ATOM 815 CB LYS 97 6.369 20.316 7.021 1.00 0.00 ATOM 816 CG LYS 97 6.488 21.729 7.565 1.00 0.00 ATOM 817 CD LYS 97 7.832 21.965 8.242 1.00 0.00 ATOM 818 CE LYS 97 7.911 23.377 8.820 1.00 0.00 ATOM 819 NZ LYS 97 9.150 23.593 9.622 1.00 0.00 ATOM 820 O LYS 97 4.037 19.772 8.812 1.00 0.00 ATOM 821 C LYS 97 4.629 19.096 7.963 1.00 0.00 ATOM 822 N TYR 98 3.960 18.558 6.938 1.00 0.00 ATOM 823 CA TYR 98 2.523 18.705 6.863 1.00 0.00 ATOM 824 CB TYR 98 2.420 19.168 5.192 1.00 0.00 ATOM 825 CG TYR 98 2.838 20.592 4.824 1.00 0.00 ATOM 826 CD1 TYR 98 2.030 21.648 5.288 1.00 0.00 ATOM 827 CD2 TYR 98 3.941 20.857 4.025 1.00 0.00 ATOM 828 CE1 TYR 98 2.341 22.941 4.975 1.00 0.00 ATOM 829 CE2 TYR 98 4.270 22.182 3.699 1.00 0.00 ATOM 830 CZ TYR 98 3.455 23.219 4.182 1.00 0.00 ATOM 831 OH TYR 98 3.725 24.549 3.904 1.00 0.00 ATOM 832 O TYR 98 0.408 17.975 7.711 1.00 0.00 ATOM 833 C TYR 98 1.251 17.873 6.801 1.00 0.00 ATOM 834 N GLY 99 0.662 17.001 5.668 1.00 0.00 ATOM 835 CA GLY 99 -0.632 16.354 5.594 1.00 0.00 ATOM 836 O GLY 99 -0.219 14.900 3.736 1.00 0.00 ATOM 837 C GLY 99 -0.832 15.075 4.789 1.00 0.00 ATOM 838 N VAL 100 -1.688 14.184 5.298 1.00 0.00 ATOM 839 CA VAL 100 -1.995 12.910 4.641 1.00 0.00 ATOM 840 CB VAL 100 -1.846 11.756 5.652 1.00 0.00 ATOM 841 CG1 VAL 100 -2.277 10.440 5.013 1.00 0.00 ATOM 842 CG2 VAL 100 -0.381 11.679 6.098 1.00 0.00 ATOM 843 O VAL 100 -4.359 13.160 4.980 1.00 0.00 ATOM 844 C VAL 100 -3.465 12.791 4.218 1.00 0.00 ATOM 845 N VAL 101 -3.705 12.080 3.119 1.00 0.00 ATOM 846 CA VAL 101 -5.053 11.845 2.605 1.00 0.00 ATOM 847 CB VAL 101 -5.148 12.214 1.078 1.00 0.00 ATOM 848 CG1 VAL 101 -4.116 11.443 0.310 1.00 0.00 ATOM 849 CG2 VAL 101 -6.593 12.029 0.551 1.00 0.00 ATOM 850 O VAL 101 -5.132 9.450 2.591 1.00 0.00 ATOM 851 C VAL 101 -5.469 10.491 3.159 1.00 0.00 ATOM 852 N ALA 102 -6.287 10.413 4.295 1.00 0.00 ATOM 853 CA ALA 102 -6.749 9.156 4.865 1.00 0.00 ATOM 854 CB ALA 102 -6.893 9.282 6.374 1.00 0.00 ATOM 855 O ALA 102 -9.045 9.516 4.439 1.00 0.00 ATOM 856 C ALA 102 -8.073 8.785 4.266 1.00 0.00 ATOM 857 N ILE 103 -8.087 7.688 3.501 1.00 0.00 ATOM 858 CA ILE 103 -9.300 7.249 2.797 1.00 0.00 ATOM 859 CB ILE 103 -8.999 7.048 1.296 1.00 0.00 ATOM 860 CG1 ILE 103 -8.333 8.279 0.677 1.00 0.00 ATOM 861 CG2 ILE 103 -10.285 6.710 0.498 1.00 0.00 ATOM 862 CD1 ILE 103 -7.802 8.027 -0.720 1.00 0.00 ATOM 863 O ILE 103 -9.244 4.947 3.286 1.00 0.00 ATOM 864 C ILE 103 -9.857 5.986 3.340 1.00 0.00 ATOM 865 N GLU 104 -11.154 6.109 3.869 1.00 0.00 ATOM 866 CA GLU 104 -11.863 4.947 4.329 1.00 0.00 ATOM 867 CB GLU 104 -12.892 5.420 5.358 1.00 0.00 ATOM 868 CG GLU 104 -12.283 6.049 6.602 1.00 0.00 ATOM 869 CD GLU 104 -13.330 6.552 7.573 1.00 0.00 ATOM 870 OE1 GLU 104 -14.534 6.432 7.262 1.00 0.00 ATOM 871 OE2 GLU 104 -12.951 7.064 8.646 1.00 0.00 ATOM 872 O GLU 104 -13.341 4.951 2.462 1.00 0.00 ATOM 873 C GLU 104 -12.516 4.312 3.110 1.00 0.00 ATOM 874 N ILE 105 -12.385 3.000 2.973 1.00 0.00 ATOM 875 CA ILE 105 -12.952 2.319 1.825 1.00 0.00 ATOM 876 CB ILE 105 -11.874 1.924 0.802 1.00 0.00 ATOM 877 CG1 ILE 105 -10.733 1.180 1.499 1.00 0.00 ATOM 878 CG2 ILE 105 -11.376 3.165 0.072 1.00 0.00 ATOM 879 CD1 ILE 105 -9.674 0.613 0.561 1.00 0.00 ATOM 880 O ILE 105 -13.058 0.426 3.181 1.00 0.00 ATOM 881 C ILE 105 -13.579 1.001 2.216 1.00 0.00 ATOM 882 N GLU 106 -14.051 0.284 1.197 1.00 0.00 ATOM 883 CA GLU 106 -14.684 -1.023 1.352 1.00 0.00 ATOM 884 CB GLU 106 -16.155 -0.862 1.731 1.00 0.00 ATOM 885 CG GLU 106 -16.425 0.223 2.749 1.00 0.00 ATOM 886 CD GLU 106 -17.893 0.315 3.110 1.00 0.00 ATOM 887 OE1 GLU 106 -18.738 0.295 2.188 1.00 0.00 ATOM 888 OE2 GLU 106 -18.200 0.413 4.318 1.00 0.00 ATOM 889 O GLU 106 -14.518 -1.278 -1.029 1.00 0.00 ATOM 890 C GLU 106 -14.476 -1.830 0.071 1.00 0.00 ATOM 891 N PRO 107 -14.377 -3.149 0.196 1.00 0.00 ATOM 892 CA PRO 107 -14.181 -3.996 -0.975 1.00 0.00 ATOM 893 CB PRO 107 -13.670 -5.318 -0.395 1.00 0.00 ATOM 894 CG PRO 107 -14.229 -5.360 0.987 1.00 0.00 ATOM 895 CD PRO 107 -14.318 -3.932 1.444 1.00 0.00 ATOM 896 O PRO 107 -16.457 -4.688 -1.138 1.00 0.00 ATOM 897 C PRO 107 -15.506 -4.167 -1.706 1.00 0.00 ATOM 898 N LEU 108 -15.539 -3.871 -2.992 1.00 0.00 ATOM 899 CA LEU 108 -16.771 -4.009 -3.746 1.00 0.00 ATOM 900 CB LEU 108 -16.886 -2.870 -4.776 1.00 0.00 ATOM 901 CG LEU 108 -17.208 -1.516 -4.143 1.00 0.00 ATOM 902 CD1 LEU 108 -16.969 -0.395 -5.155 1.00 0.00 ATOM 903 CD2 LEU 108 -18.657 -1.519 -3.665 1.00 0.00 ATOM 904 O LEU 108 -18.014 -5.724 -4.878 1.00 0.00 ATOM 905 C LEU 108 -16.912 -5.354 -4.487 1.00 0.00 ATOM 906 N GLU 109 -15.607 -5.742 -4.786 1.00 0.00 ATOM 907 CA GLU 109 -15.385 -6.823 -5.743 1.00 0.00 ATOM 908 CB GLU 109 -15.334 -6.301 -7.203 1.00 0.00 ATOM 909 CG GLU 109 -15.232 -7.422 -8.196 1.00 0.00 ATOM 910 CD GLU 109 -15.570 -7.052 -9.637 1.00 0.00 ATOM 911 OE1 GLU 109 -16.389 -6.108 -9.871 1.00 0.00 ATOM 912 OE2 GLU 109 -15.063 -7.816 -10.507 1.00 0.00 ATOM 913 O GLU 109 -13.110 -6.491 -5.113 1.00 0.00 ATOM 914 C GLU 109 -13.941 -7.260 -5.597 1.00 0.00 ATOM 915 N TYR 110 -13.637 -8.508 -5.982 1.00 0.00 ATOM 916 CA TYR 110 -12.274 -9.008 -5.880 1.00 0.00 ATOM 917 CB TYR 110 -11.971 -9.452 -4.442 1.00 0.00 ATOM 918 CG TYR 110 -13.060 -10.292 -3.805 1.00 0.00 ATOM 919 CD1 TYR 110 -13.210 -11.647 -4.130 1.00 0.00 ATOM 920 CD2 TYR 110 -13.951 -9.732 -2.884 1.00 0.00 ATOM 921 CE1 TYR 110 -14.211 -12.415 -3.553 1.00 0.00 ATOM 922 CE2 TYR 110 -14.954 -10.497 -2.303 1.00 0.00 ATOM 923 CZ TYR 110 -15.079 -11.827 -2.639 1.00 0.00 ATOM 924 OH TYR 110 -16.049 -12.571 -2.027 1.00 0.00 ATOM 925 O TYR 110 -10.979 -10.631 -7.044 1.00 0.00 ATOM 926 C TYR 110 -12.123 -10.182 -6.844 1.00 0.00 TER END