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 This is 14+13+27 try1-opt2, the result of automatic prediction METHOD starting from a hand-alignment of T0214, T0213, and T0227. REMARK 6 REMARK 6 T0214 model 4 Thu Aug 12 17:37:26 2004 MODEL 4 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 10.130 3.214 8.837 1.00 0.00 ATOM 2 CA MET 1 8.942 3.305 9.640 1.00 0.00 ATOM 3 CB MET 1 7.901 4.193 8.956 1.00 0.00 ATOM 4 CG MET 1 6.666 4.464 9.801 1.00 0.00 ATOM 5 SD MET 1 5.483 5.547 8.976 1.00 0.00 ATOM 6 CE MET 1 6.299 7.133 9.147 1.00 0.00 ATOM 7 O MET 1 7.982 1.180 8.987 1.00 0.00 ATOM 8 C MET 1 8.263 1.977 9.904 1.00 0.00 ATOM 9 N GLU 2 7.995 1.728 11.187 1.00 0.00 ATOM 10 CA GLU 2 7.102 0.630 11.577 1.00 0.00 ATOM 11 CB GLU 2 6.991 0.547 13.101 1.00 0.00 ATOM 12 CG GLU 2 8.253 0.053 13.789 1.00 0.00 ATOM 13 CD GLU 2 8.148 0.101 15.301 1.00 0.00 ATOM 14 OE1 GLU 2 7.118 0.591 15.810 1.00 0.00 ATOM 15 OE2 GLU 2 9.098 -0.349 15.976 1.00 0.00 ATOM 16 O GLU 2 5.084 -0.185 10.538 1.00 0.00 ATOM 17 C GLU 2 5.662 0.777 11.032 1.00 0.00 ATOM 18 N TRP 3 5.100 1.976 11.067 1.00 0.00 ATOM 19 CA TRP 3 3.719 2.204 10.625 1.00 0.00 ATOM 20 CB TRP 3 3.320 3.653 10.946 1.00 0.00 ATOM 21 CG TRP 3 1.867 3.997 10.735 1.00 0.00 ATOM 22 CD1 TRP 3 0.852 3.878 11.642 1.00 0.00 ATOM 23 CD2 TRP 3 1.286 4.568 9.556 1.00 0.00 ATOM 24 CE2 TRP 3 -0.084 4.779 9.823 1.00 0.00 ATOM 25 CE3 TRP 3 1.792 4.923 8.300 1.00 0.00 ATOM 26 NE1 TRP 3 -0.325 4.351 11.104 1.00 0.00 ATOM 27 CZ2 TRP 3 -0.956 5.332 8.882 1.00 0.00 ATOM 28 CZ3 TRP 3 0.925 5.474 7.363 1.00 0.00 ATOM 29 CH2 TRP 3 -0.432 5.674 7.659 1.00 0.00 ATOM 30 O TRP 3 2.622 1.363 8.587 1.00 0.00 ATOM 31 C TRP 3 3.566 1.985 9.106 1.00 0.00 ATOM 32 N GLU 4 4.568 2.596 8.304 1.00 0.00 ATOM 33 CA GLU 4 4.514 2.477 6.851 1.00 0.00 ATOM 34 CB GLU 4 5.694 3.213 6.209 1.00 0.00 ATOM 35 CG GLU 4 5.717 3.141 4.691 1.00 0.00 ATOM 36 CD GLU 4 4.565 3.893 4.054 1.00 0.00 ATOM 37 OE1 GLU 4 3.882 4.653 4.772 1.00 0.00 ATOM 38 OE2 GLU 4 4.345 3.721 2.836 1.00 0.00 ATOM 39 O GLU 4 3.726 0.515 5.679 1.00 0.00 ATOM 40 C GLU 4 4.576 1.008 6.438 1.00 0.00 ATOM 41 N MET 5 5.581 0.267 6.944 1.00 0.00 ATOM 42 CA MET 5 5.709 -1.148 6.553 1.00 0.00 ATOM 43 CB MET 5 7.041 -1.721 7.042 1.00 0.00 ATOM 44 CG MET 5 8.259 -1.145 6.336 1.00 0.00 ATOM 45 SD MET 5 8.309 -1.563 4.583 1.00 0.00 ATOM 46 CE MET 5 8.697 -3.310 4.662 1.00 0.00 ATOM 47 O MET 5 4.243 -3.051 6.558 1.00 0.00 ATOM 48 C MET 5 4.600 -2.011 7.137 1.00 0.00 ATOM 49 N GLY 6 3.982 -1.688 8.492 1.00 0.00 ATOM 50 CA GLY 6 2.940 -2.526 9.087 1.00 0.00 ATOM 51 O GLY 6 0.958 -3.428 8.024 1.00 0.00 ATOM 52 C GLY 6 1.641 -2.423 8.289 1.00 0.00 ATOM 53 N LEU 7 1.224 -1.208 7.925 1.00 0.00 ATOM 54 CA LEU 7 0.042 -1.037 7.089 1.00 0.00 ATOM 55 CB LEU 7 -0.386 0.363 6.922 1.00 0.00 ATOM 56 CG LEU 7 -0.736 1.057 8.242 1.00 0.00 ATOM 57 CD1 LEU 7 -1.154 2.495 7.973 1.00 0.00 ATOM 58 CD2 LEU 7 -1.765 0.304 9.043 1.00 0.00 ATOM 59 O LEU 7 -0.506 -2.237 5.100 1.00 0.00 ATOM 60 C LEU 7 0.351 -1.617 5.722 1.00 0.00 ATOM 61 N GLN 8 1.603 -1.440 5.250 1.00 0.00 ATOM 62 CA GLN 8 1.994 -1.969 3.952 1.00 0.00 ATOM 63 CB GLN 8 3.452 -1.582 3.699 1.00 0.00 ATOM 64 CG GLN 8 3.983 -2.017 2.342 1.00 0.00 ATOM 65 CD GLN 8 3.281 -1.324 1.192 1.00 0.00 ATOM 66 OE1 GLN 8 3.082 -0.108 1.216 1.00 0.00 ATOM 67 NE2 GLN 8 2.902 -2.095 0.180 1.00 0.00 ATOM 68 O GLN 8 1.354 -4.064 3.003 1.00 0.00 ATOM 69 C GLN 8 1.876 -3.468 3.946 1.00 0.00 ATOM 70 N GLU 9 2.322 -4.077 5.027 1.00 0.00 ATOM 71 CA GLU 9 2.282 -5.521 5.157 1.00 0.00 ATOM 72 CB GLU 9 3.091 -5.938 6.456 1.00 0.00 ATOM 73 CG GLU 9 4.588 -5.723 6.391 1.00 0.00 ATOM 74 CD GLU 9 5.276 -5.918 7.737 1.00 0.00 ATOM 75 OE1 GLU 9 4.589 -6.194 8.750 1.00 0.00 ATOM 76 OE2 GLU 9 6.513 -5.781 7.793 1.00 0.00 ATOM 77 O GLU 9 0.602 -7.147 4.626 1.00 0.00 ATOM 78 C GLU 9 0.882 -6.117 5.244 1.00 0.00 ATOM 79 N GLU 10 0.045 -5.401 5.960 1.00 0.00 ATOM 80 CA GLU 10 -1.345 -5.811 6.045 1.00 0.00 ATOM 81 CB GLU 10 -2.013 -5.108 7.249 1.00 0.00 ATOM 82 CG GLU 10 -1.289 -5.283 8.576 1.00 0.00 ATOM 83 CD GLU 10 -1.959 -4.534 9.714 1.00 0.00 ATOM 84 OE1 GLU 10 -2.125 -3.299 9.603 1.00 0.00 ATOM 85 OE2 GLU 10 -2.319 -5.179 10.721 1.00 0.00 ATOM 86 O GLU 10 -2.855 -6.389 4.271 1.00 0.00 ATOM 87 C GLU 10 -1.969 -5.628 4.668 1.00 0.00 ATOM 88 N PHE 11 -1.474 -4.610 3.943 1.00 0.00 ATOM 89 CA PHE 11 -1.959 -4.318 2.594 1.00 0.00 ATOM 90 CB PHE 11 -0.774 -3.557 1.758 1.00 0.00 ATOM 91 CG PHE 11 -1.164 -2.800 0.520 1.00 0.00 ATOM 92 CD1 PHE 11 -1.815 -1.566 0.637 1.00 0.00 ATOM 93 CD2 PHE 11 -1.019 -3.365 -0.741 1.00 0.00 ATOM 94 CE1 PHE 11 -2.307 -0.867 -0.445 1.00 0.00 ATOM 95 CE2 PHE 11 -1.456 -2.599 -1.824 1.00 0.00 ATOM 96 CZ PHE 11 -2.111 -1.403 -1.684 1.00 0.00 ATOM 97 O PHE 11 -2.423 -6.087 1.043 1.00 0.00 ATOM 98 C PHE 11 -1.571 -5.483 1.694 1.00 0.00 ATOM 99 N LEU 12 -0.285 -5.816 1.694 1.00 0.00 ATOM 100 CA LEU 12 0.204 -6.918 0.884 1.00 0.00 ATOM 101 CB LEU 12 1.695 -7.005 0.869 1.00 0.00 ATOM 102 CG LEU 12 2.430 -5.872 0.142 1.00 0.00 ATOM 103 CD1 LEU 12 3.922 -5.996 0.409 1.00 0.00 ATOM 104 CD2 LEU 12 2.153 -5.871 -1.348 1.00 0.00 ATOM 105 O LEU 12 -0.819 -9.134 0.547 1.00 0.00 ATOM 106 C LEU 12 -0.424 -8.279 1.362 1.00 0.00 ATOM 107 N GLU 13 -0.594 -8.543 2.650 1.00 0.00 ATOM 108 CA GLU 13 -1.209 -9.787 3.116 1.00 0.00 ATOM 109 CB GLU 13 -1.115 -9.893 4.639 1.00 0.00 ATOM 110 CG GLU 13 0.294 -10.126 5.160 1.00 0.00 ATOM 111 CD GLU 13 0.367 -10.103 6.673 1.00 0.00 ATOM 112 OE1 GLU 13 -0.670 -9.834 7.314 1.00 0.00 ATOM 113 OE2 GLU 13 1.464 -10.355 7.219 1.00 0.00 ATOM 114 O GLU 13 -3.151 -10.940 2.309 1.00 0.00 ATOM 115 C GLU 13 -2.676 -9.881 2.717 1.00 0.00 ATOM 116 N LEU 14 -3.350 -8.784 2.830 1.00 0.00 ATOM 117 CA LEU 14 -4.759 -8.765 2.469 1.00 0.00 ATOM 118 CB LEU 14 -5.407 -7.420 2.863 1.00 0.00 ATOM 119 CG LEU 14 -5.518 -7.129 4.364 1.00 0.00 ATOM 120 CD1 LEU 14 -6.106 -5.721 4.558 1.00 0.00 ATOM 121 CD2 LEU 14 -6.387 -8.180 5.053 1.00 0.00 ATOM 122 O LEU 14 -5.876 -9.763 0.587 1.00 0.00 ATOM 123 C LEU 14 -4.954 -9.051 0.968 1.00 0.00 ATOM 124 N ILE 15 -4.033 -8.534 0.136 1.00 0.00 ATOM 125 CA ILE 15 -4.117 -8.720 -1.309 1.00 0.00 ATOM 126 CB ILE 15 -3.165 -7.961 -2.081 1.00 0.00 ATOM 127 CG1 ILE 15 -3.481 -6.477 -1.886 1.00 0.00 ATOM 128 CG2 ILE 15 -3.310 -8.326 -3.544 1.00 0.00 ATOM 129 CD1 ILE 15 -2.342 -5.545 -2.291 1.00 0.00 ATOM 130 O ILE 15 -4.711 -10.793 -2.341 1.00 0.00 ATOM 131 C ILE 15 -3.907 -10.197 -1.631 1.00 0.00 ATOM 132 N LYS 16 -2.853 -10.791 -1.062 1.00 0.00 ATOM 133 CA LYS 16 -2.534 -12.204 -1.299 1.00 0.00 ATOM 134 CB LYS 16 -1.197 -12.568 -0.648 1.00 0.00 ATOM 135 CG LYS 16 0.013 -11.947 -1.325 1.00 0.00 ATOM 136 CD LYS 16 1.302 -12.346 -0.625 1.00 0.00 ATOM 137 CE LYS 16 2.512 -11.725 -1.303 1.00 0.00 ATOM 138 NZ LYS 16 3.780 -12.084 -0.609 1.00 0.00 ATOM 139 O LYS 16 -3.780 -14.297 -1.254 1.00 0.00 ATOM 140 C LYS 16 -3.590 -13.164 -0.730 1.00 0.00 ATOM 141 N LEU 17 -4.286 -12.717 0.323 1.00 0.00 ATOM 142 CA LEU 17 -5.375 -13.507 0.880 1.00 0.00 ATOM 143 CB LEU 17 -5.717 -13.029 2.292 1.00 0.00 ATOM 144 CG LEU 17 -4.614 -13.174 3.343 1.00 0.00 ATOM 145 CD1 LEU 17 -5.048 -12.564 4.667 1.00 0.00 ATOM 146 CD2 LEU 17 -4.288 -14.641 3.579 1.00 0.00 ATOM 147 O LEU 17 -7.687 -13.994 0.256 1.00 0.00 ATOM 148 C LEU 17 -6.639 -13.376 -0.001 1.00 0.00 ATOM 149 N ARG 18 -6.551 -12.495 -1.089 1.00 0.00 ATOM 150 CA ARG 18 -7.746 -12.330 -1.904 1.00 0.00 ATOM 151 CB ARG 18 -7.686 -13.510 -3.023 1.00 0.00 ATOM 152 CG ARG 18 -8.787 -13.389 -4.129 1.00 0.00 ATOM 153 CD ARG 18 -8.867 -14.583 -5.078 1.00 0.00 ATOM 154 NE ARG 18 -7.570 -14.821 -5.779 1.00 0.00 ATOM 155 CZ ARG 18 -6.768 -15.818 -5.358 1.00 0.00 ATOM 156 NH1 ARG 18 -6.980 -16.704 -4.408 1.00 0.00 ATOM 157 NH2 ARG 18 -5.626 -15.848 -6.105 1.00 0.00 ATOM 158 O ARG 18 -9.967 -11.555 -1.528 1.00 0.00 ATOM 159 C ARG 18 -8.792 -11.497 -1.179 1.00 0.00 ATOM 160 N LYS 19 -8.365 -10.726 -0.160 1.00 0.00 ATOM 161 CA LYS 19 -9.305 -9.895 0.587 1.00 0.00 ATOM 162 CB LYS 19 -8.599 -9.208 1.757 1.00 0.00 ATOM 163 CG LYS 19 -8.185 -10.152 2.874 1.00 0.00 ATOM 164 CD LYS 19 -9.397 -10.742 3.576 1.00 0.00 ATOM 165 CE LYS 19 -8.984 -11.637 4.733 1.00 0.00 ATOM 166 NZ LYS 19 -10.162 -12.235 5.420 1.00 0.00 ATOM 167 O LYS 19 -11.046 -8.372 -0.069 1.00 0.00 ATOM 168 C LYS 19 -9.914 -8.811 -0.301 1.00 0.00 ATOM 169 N LYS 20 -9.165 -8.386 -1.316 1.00 0.00 ATOM 170 CA LYS 20 -9.635 -7.378 -2.270 1.00 0.00 ATOM 171 CB LYS 20 -8.463 -6.540 -2.784 1.00 0.00 ATOM 172 CG LYS 20 -7.770 -5.716 -1.712 1.00 0.00 ATOM 173 CD LYS 20 -6.682 -4.836 -2.308 1.00 0.00 ATOM 174 CE LYS 20 -6.025 -3.974 -1.243 1.00 0.00 ATOM 175 NZ LYS 20 -4.921 -3.146 -1.802 1.00 0.00 ATOM 176 O LYS 20 -10.162 -8.008 -4.539 1.00 0.00 ATOM 177 C LYS 20 -10.257 -8.277 -3.340 1.00 0.00 ATOM 178 N LYS 21 -11.081 -9.767 -3.188 1.00 0.00 ATOM 179 CA LYS 21 -11.684 -10.649 -4.171 1.00 0.00 ATOM 180 CB LYS 21 -11.669 -12.096 -3.674 1.00 0.00 ATOM 181 CG LYS 21 -12.214 -13.101 -4.676 1.00 0.00 ATOM 182 CD LYS 21 -12.022 -14.528 -4.184 1.00 0.00 ATOM 183 CE LYS 21 -12.638 -15.530 -5.147 1.00 0.00 ATOM 184 NZ LYS 21 -12.415 -16.934 -4.704 1.00 0.00 ATOM 185 O LYS 21 -14.051 -10.707 -3.806 1.00 0.00 ATOM 186 C LYS 21 -13.132 -10.399 -4.565 1.00 0.00 ATOM 187 N ILE 22 -13.327 -9.801 -5.736 1.00 0.00 ATOM 188 CA ILE 22 -14.668 -9.495 -6.217 1.00 0.00 ATOM 189 CB ILE 22 -14.912 -7.976 -6.281 1.00 0.00 ATOM 190 CG1 ILE 22 -16.344 -7.683 -6.731 1.00 0.00 ATOM 191 CG2 ILE 22 -13.954 -7.323 -7.265 1.00 0.00 ATOM 192 CD1 ILE 22 -16.770 -6.247 -6.522 1.00 0.00 ATOM 193 O ILE 22 -13.818 -10.139 -8.363 1.00 0.00 ATOM 194 C ILE 22 -14.774 -10.147 -7.585 1.00 0.00 ATOM 195 N GLU 23 -15.983 -10.621 -7.869 1.00 0.00 ATOM 196 CA GLU 23 -16.335 -11.296 -9.104 1.00 0.00 ATOM 197 CB GLU 23 -17.695 -11.995 -9.035 1.00 0.00 ATOM 198 CG GLU 23 -17.741 -13.169 -8.073 1.00 0.00 ATOM 199 CD GLU 23 -19.125 -13.778 -7.962 1.00 0.00 ATOM 200 OE1 GLU 23 -20.053 -13.267 -8.623 1.00 0.00 ATOM 201 OE2 GLU 23 -19.281 -14.767 -7.213 1.00 0.00 ATOM 202 O GLU 23 -15.787 -10.819 -11.395 1.00 0.00 ATOM 203 C GLU 23 -16.368 -10.449 -10.375 1.00 0.00 ATOM 204 N GLY 24 -17.270 -8.991 -10.760 1.00 0.00 ATOM 205 CA GLY 24 -17.375 -8.121 -11.916 1.00 0.00 ATOM 206 O GLY 24 -15.659 -7.458 -13.489 1.00 0.00 ATOM 207 C GLY 24 -16.003 -7.578 -12.299 1.00 0.00 ATOM 208 N ARG 25 -15.214 -7.234 -11.296 1.00 0.00 ATOM 209 CA ARG 25 -13.869 -6.722 -11.524 1.00 0.00 ATOM 210 CB ARG 25 -13.775 -5.297 -11.008 1.00 0.00 ATOM 211 CG ARG 25 -12.437 -4.678 -11.377 1.00 0.00 ATOM 212 CD ARG 25 -12.457 -3.161 -11.513 1.00 0.00 ATOM 213 NE ARG 25 -11.126 -2.705 -11.924 1.00 0.00 ATOM 214 CZ ARG 25 -10.241 -2.484 -10.982 1.00 0.00 ATOM 215 NH1 ARG 25 -10.576 -2.582 -9.719 1.00 0.00 ATOM 216 NH2 ARG 25 -8.992 -2.163 -11.311 1.00 0.00 ATOM 217 O ARG 25 -13.191 -8.014 -9.633 1.00 0.00 ATOM 218 C ARG 25 -12.898 -7.615 -10.761 1.00 0.00 ATOM 219 N LEU 26 -11.748 -7.908 -11.375 1.00 0.00 ATOM 220 CA LEU 26 -10.730 -8.759 -10.756 1.00 0.00 ATOM 221 CB LEU 26 -10.314 -9.879 -11.713 1.00 0.00 ATOM 222 CG LEU 26 -11.422 -10.835 -12.158 1.00 0.00 ATOM 223 CD1 LEU 26 -10.892 -11.840 -13.168 1.00 0.00 ATOM 224 CD2 LEU 26 -11.978 -11.605 -10.970 1.00 0.00 ATOM 225 O LEU 26 -9.069 -7.121 -11.240 1.00 0.00 ATOM 226 C LEU 26 -9.510 -7.929 -10.418 1.00 0.00 ATOM 227 N TYR 27 -8.972 -8.138 -9.213 1.00 0.00 ATOM 228 CA TYR 27 -7.744 -7.489 -8.764 1.00 0.00 ATOM 229 CB TYR 27 -8.037 -6.531 -7.608 1.00 0.00 ATOM 230 CG TYR 27 -6.829 -5.753 -7.136 1.00 0.00 ATOM 231 CD1 TYR 27 -6.414 -4.609 -7.806 1.00 0.00 ATOM 232 CD2 TYR 27 -6.108 -6.165 -6.023 1.00 0.00 ATOM 233 CE1 TYR 27 -5.312 -3.891 -7.382 1.00 0.00 ATOM 234 CE2 TYR 27 -5.002 -5.461 -5.585 1.00 0.00 ATOM 235 CZ TYR 27 -4.607 -4.315 -6.276 1.00 0.00 ATOM 236 OH TYR 27 -3.509 -3.603 -5.853 1.00 0.00 ATOM 237 O TYR 27 -6.947 -9.167 -7.224 1.00 0.00 ATOM 238 C TYR 27 -6.776 -8.573 -8.300 1.00 0.00 ATOM 239 N ASP 28 -5.765 -8.845 -9.119 1.00 0.00 ATOM 240 CA ASP 28 -4.933 -10.035 -8.991 1.00 0.00 ATOM 241 CB ASP 28 -4.831 -10.670 -10.416 1.00 0.00 ATOM 242 CG ASP 28 -6.118 -11.109 -11.064 1.00 0.00 ATOM 243 OD1 ASP 28 -7.066 -11.551 -10.390 1.00 0.00 ATOM 244 OD2 ASP 28 -6.120 -11.026 -12.334 1.00 0.00 ATOM 245 O ASP 28 -2.972 -10.616 -7.736 1.00 0.00 ATOM 246 C ASP 28 -3.641 -9.742 -8.273 1.00 0.00 ATOM 247 N GLU 29 -2.556 -8.924 -6.739 1.00 0.00 ATOM 248 CA GLU 29 -1.226 -9.182 -6.240 1.00 0.00 ATOM 249 CB GLU 29 -0.285 -9.553 -7.387 1.00 0.00 ATOM 250 CG GLU 29 -0.573 -10.908 -8.012 1.00 0.00 ATOM 251 CD GLU 29 0.345 -11.220 -9.177 1.00 0.00 ATOM 252 OE1 GLU 29 1.172 -10.353 -9.531 1.00 0.00 ATOM 253 OE2 GLU 29 0.239 -12.332 -9.737 1.00 0.00 ATOM 254 O GLU 29 -1.278 -6.837 -5.938 1.00 0.00 ATOM 255 C GLU 29 -0.791 -7.918 -5.585 1.00 0.00 ATOM 256 N LYS 30 0.103 -8.031 -4.595 1.00 0.00 ATOM 257 CA LYS 30 0.643 -6.914 -3.839 1.00 0.00 ATOM 258 CB LYS 30 1.811 -7.373 -2.963 1.00 0.00 ATOM 259 CG LYS 30 3.024 -7.849 -3.746 1.00 0.00 ATOM 260 CD LYS 30 4.111 -8.368 -2.819 1.00 0.00 ATOM 261 CE LYS 30 5.328 -8.834 -3.601 1.00 0.00 ATOM 262 NZ LYS 30 6.402 -9.345 -2.706 1.00 0.00 ATOM 263 O LYS 30 1.045 -4.608 -4.312 1.00 0.00 ATOM 264 C LYS 30 1.183 -5.753 -4.692 1.00 0.00 ATOM 265 N ARG 31 1.841 -6.078 -5.810 1.00 0.00 ATOM 266 CA ARG 31 2.484 -5.077 -6.674 1.00 0.00 ATOM 267 CB ARG 31 3.993 -5.543 -6.895 1.00 0.00 ATOM 268 CG ARG 31 4.178 -6.772 -7.770 1.00 0.00 ATOM 269 CD ARG 31 5.673 -7.005 -8.032 1.00 0.00 ATOM 270 NE ARG 31 5.941 -8.196 -8.839 1.00 0.00 ATOM 271 CZ ARG 31 5.724 -9.446 -8.428 1.00 0.00 ATOM 272 NH1 ARG 31 5.235 -9.673 -7.214 1.00 0.00 ATOM 273 NH2 ARG 31 5.997 -10.469 -9.231 1.00 0.00 ATOM 274 O ARG 31 2.010 -3.561 -8.443 1.00 0.00 ATOM 275 C ARG 31 1.575 -4.438 -7.714 1.00 0.00 ATOM 276 N ARG 32 0.252 -5.015 -7.601 1.00 0.00 ATOM 277 CA ARG 32 -0.715 -4.398 -8.504 1.00 0.00 ATOM 278 CB ARG 32 -2.126 -4.916 -8.215 1.00 0.00 ATOM 279 CG ARG 32 -2.351 -6.363 -8.626 1.00 0.00 ATOM 280 CD ARG 32 -2.282 -6.524 -10.135 1.00 0.00 ATOM 281 NE ARG 32 -3.348 -5.792 -10.815 1.00 0.00 ATOM 282 CZ ARG 32 -3.438 -5.656 -12.133 1.00 0.00 ATOM 283 NH1 ARG 32 -4.445 -4.972 -12.661 1.00 0.00 ATOM 284 NH2 ARG 32 -2.523 -6.205 -12.921 1.00 0.00 ATOM 285 O ARG 32 -0.482 -2.435 -7.166 1.00 0.00 ATOM 286 C ARG 32 -0.673 -2.887 -8.286 1.00 0.00 ATOM 287 N GLN 33 -0.702 -2.141 -9.391 1.00 0.00 ATOM 288 CA GLN 33 -0.645 -0.687 -9.321 1.00 0.00 ATOM 289 CB GLN 33 0.060 -0.120 -10.556 1.00 0.00 ATOM 290 CG GLN 33 0.218 1.391 -10.541 1.00 0.00 ATOM 291 CD GLN 33 0.936 1.914 -11.772 1.00 0.00 ATOM 292 OE1 GLN 33 1.379 1.138 -12.620 1.00 0.00 ATOM 293 NE2 GLN 33 1.050 3.232 -11.872 1.00 0.00 ATOM 294 O GLN 33 -2.895 -0.595 -10.102 1.00 0.00 ATOM 295 C GLN 33 -2.085 -0.241 -9.258 1.00 0.00 ATOM 296 N ILE 34 -2.251 0.430 -8.036 1.00 0.00 ATOM 297 CA ILE 34 -3.598 0.942 -7.824 1.00 0.00 ATOM 298 CB ILE 34 -3.726 1.645 -6.460 1.00 0.00 ATOM 299 CG1 ILE 34 -3.540 0.639 -5.322 1.00 0.00 ATOM 300 CG2 ILE 34 -5.099 2.285 -6.318 1.00 0.00 ATOM 301 CD1 ILE 34 -3.433 1.276 -3.955 1.00 0.00 ATOM 302 O ILE 34 -3.141 2.728 -9.399 1.00 0.00 ATOM 303 C ILE 34 -3.995 1.961 -8.898 1.00 0.00 ATOM 304 N LYS 35 -5.240 1.862 -9.365 1.00 0.00 ATOM 305 CA LYS 35 -5.754 2.828 -10.345 1.00 0.00 ATOM 306 CB LYS 35 -6.263 2.105 -11.595 1.00 0.00 ATOM 307 CG LYS 35 -5.176 1.393 -12.384 1.00 0.00 ATOM 308 CD LYS 35 -5.741 0.740 -13.635 1.00 0.00 ATOM 309 CE LYS 35 -4.651 0.051 -14.439 1.00 0.00 ATOM 310 NZ LYS 35 -5.186 -0.570 -15.682 1.00 0.00 ATOM 311 O LYS 35 -7.604 3.084 -8.880 1.00 0.00 ATOM 312 C LYS 35 -6.896 3.613 -9.736 1.00 0.00 ATOM 313 N PRO 36 -7.060 4.885 -10.129 1.00 0.00 ATOM 314 CA PRO 36 -8.186 5.648 -9.591 1.00 0.00 ATOM 315 CB PRO 36 -7.993 7.050 -10.171 1.00 0.00 ATOM 316 CG PRO 36 -6.536 7.131 -10.478 1.00 0.00 ATOM 317 CD PRO 36 -6.131 5.760 -10.941 1.00 0.00 ATOM 318 O PRO 36 -9.566 4.394 -11.150 1.00 0.00 ATOM 319 C PRO 36 -9.503 4.976 -10.073 1.00 0.00 ATOM 320 N GLY 37 -10.529 5.038 -9.227 1.00 0.00 ATOM 321 CA GLY 37 -11.845 4.467 -9.485 1.00 0.00 ATOM 322 O GLY 37 -13.099 2.438 -9.528 1.00 0.00 ATOM 323 C GLY 37 -11.997 2.964 -9.365 1.00 0.00 ATOM 324 N ASP 38 -10.809 2.263 -9.064 1.00 0.00 ATOM 325 CA ASP 38 -10.877 0.810 -8.948 1.00 0.00 ATOM 326 CB ASP 38 -9.494 0.229 -8.649 1.00 0.00 ATOM 327 CG ASP 38 -8.570 0.274 -9.850 1.00 0.00 ATOM 328 OD1 ASP 38 -9.055 0.579 -10.961 1.00 0.00 ATOM 329 OD2 ASP 38 -7.363 0.004 -9.684 1.00 0.00 ATOM 330 O ASP 38 -11.824 1.123 -6.767 1.00 0.00 ATOM 331 C ASP 38 -11.778 0.433 -7.793 1.00 0.00 ATOM 332 N VAL 39 -12.493 -0.710 -7.929 1.00 0.00 ATOM 333 CA VAL 39 -13.339 -1.203 -6.842 1.00 0.00 ATOM 334 CB VAL 39 -14.647 -1.756 -7.437 1.00 0.00 ATOM 335 CG1 VAL 39 -15.554 -2.280 -6.333 1.00 0.00 ATOM 336 CG2 VAL 39 -15.391 -0.665 -8.193 1.00 0.00 ATOM 337 O VAL 39 -12.148 -3.291 -6.754 1.00 0.00 ATOM 338 C VAL 39 -12.623 -2.340 -6.111 1.00 0.00 ATOM 339 N ILE 40 -12.553 -2.250 -4.787 1.00 0.00 ATOM 340 CA ILE 40 -11.841 -3.270 -4.000 1.00 0.00 ATOM 341 CB ILE 40 -10.655 -2.613 -3.269 1.00 0.00 ATOM 342 CG1 ILE 40 -9.700 -1.968 -4.276 1.00 0.00 ATOM 343 CG2 ILE 40 -9.883 -3.649 -2.467 1.00 0.00 ATOM 344 CD1 ILE 40 -8.614 -1.130 -3.636 1.00 0.00 ATOM 345 O ILE 40 -13.316 -3.176 -2.103 1.00 0.00 ATOM 346 C ILE 40 -12.812 -3.873 -2.984 1.00 0.00 ATOM 347 N SER 41 -13.048 -5.167 -3.153 1.00 0.00 ATOM 348 CA SER 41 -14.052 -5.887 -2.345 1.00 0.00 ATOM 349 CB SER 41 -15.044 -6.620 -3.250 1.00 0.00 ATOM 350 OG SER 41 -15.965 -7.381 -2.488 1.00 0.00 ATOM 351 O SER 41 -12.731 -7.832 -1.886 1.00 0.00 ATOM 352 C SER 41 -13.414 -6.926 -1.429 1.00 0.00 ATOM 353 N PHE 42 -13.660 -6.573 -0.101 1.00 0.00 ATOM 354 CA PHE 42 -13.074 -7.441 0.924 1.00 0.00 ATOM 355 CB PHE 42 -12.582 -6.610 2.111 1.00 0.00 ATOM 356 CG PHE 42 -11.414 -5.723 1.786 1.00 0.00 ATOM 357 CD1 PHE 42 -11.613 -4.420 1.364 1.00 0.00 ATOM 358 CD2 PHE 42 -10.117 -6.190 1.905 1.00 0.00 ATOM 359 CE1 PHE 42 -10.540 -3.603 1.067 1.00 0.00 ATOM 360 CE2 PHE 42 -9.044 -5.374 1.607 1.00 0.00 ATOM 361 CZ PHE 42 -9.249 -4.085 1.189 1.00 0.00 ATOM 362 O PHE 42 -15.249 -7.952 1.796 1.00 0.00 ATOM 363 C PHE 42 -14.156 -8.398 1.371 1.00 0.00 ATOM 364 N GLU 43 -13.819 -9.679 1.267 1.00 0.00 ATOM 365 CA GLU 43 -14.757 -10.750 1.620 1.00 0.00 ATOM 366 CB GLU 43 -14.160 -12.118 1.282 1.00 0.00 ATOM 367 CG GLU 43 -15.091 -13.286 1.559 1.00 0.00 ATOM 368 CD GLU 43 -14.479 -14.621 1.180 1.00 0.00 ATOM 369 OE1 GLU 43 -13.324 -14.631 0.704 1.00 0.00 ATOM 370 OE2 GLU 43 -15.153 -15.656 1.360 1.00 0.00 ATOM 371 O GLU 43 -16.196 -11.126 3.470 1.00 0.00 ATOM 372 C GLU 43 -15.096 -10.752 3.102 1.00 0.00 ATOM 373 N GLY 44 -13.899 -10.708 3.832 1.00 0.00 ATOM 374 CA GLY 44 -14.117 -10.668 5.267 1.00 0.00 ATOM 375 O GLY 44 -14.970 -9.224 6.960 1.00 0.00 ATOM 376 C GLY 44 -14.870 -9.426 5.750 1.00 0.00 ATOM 377 N GLY 45 -15.377 -8.603 4.825 1.00 0.00 ATOM 378 CA GLY 45 -16.197 -7.436 5.150 1.00 0.00 ATOM 379 O GLY 45 -15.912 -5.325 6.212 1.00 0.00 ATOM 380 C GLY 45 -15.378 -6.236 5.583 1.00 0.00 ATOM 381 N LYS 46 -13.916 -6.142 5.368 1.00 0.00 ATOM 382 CA LYS 46 -13.054 -5.035 5.782 1.00 0.00 ATOM 383 CB LYS 46 -11.812 -4.943 4.894 1.00 0.00 ATOM 384 CG LYS 46 -10.740 -4.003 5.422 1.00 0.00 ATOM 385 CD LYS 46 -10.081 -4.566 6.671 1.00 0.00 ATOM 386 CE LYS 46 -9.255 -5.802 6.352 1.00 0.00 ATOM 387 NZ LYS 46 -8.616 -6.373 7.568 1.00 0.00 ATOM 388 O LYS 46 -13.555 -2.938 6.812 1.00 0.00 ATOM 389 C LYS 46 -13.611 -3.619 5.792 1.00 0.00 ATOM 390 N LEU 47 -14.541 -3.884 4.622 1.00 0.00 ATOM 391 CA LEU 47 -14.848 -2.614 3.995 1.00 0.00 ATOM 392 CB LEU 47 -14.058 -1.485 4.660 1.00 0.00 ATOM 393 CG LEU 47 -14.325 -0.072 4.139 1.00 0.00 ATOM 394 CD1 LEU 47 -15.768 0.333 4.403 1.00 0.00 ATOM 395 CD2 LEU 47 -13.415 0.936 4.824 1.00 0.00 ATOM 396 O LEU 47 -13.408 -2.236 2.115 1.00 0.00 ATOM 397 C LEU 47 -14.552 -2.462 2.506 1.00 0.00 ATOM 398 N LYS 48 -15.522 -2.475 1.681 1.00 0.00 ATOM 399 CA LYS 48 -15.399 -2.282 0.240 1.00 0.00 ATOM 400 CB LYS 48 -16.672 -2.740 -0.474 1.00 0.00 ATOM 401 CG LYS 48 -16.941 -4.232 -0.364 1.00 0.00 ATOM 402 CD LYS 48 -18.211 -4.619 -1.106 1.00 0.00 ATOM 403 CE LYS 48 -18.466 -6.116 -1.019 1.00 0.00 ATOM 404 NZ LYS 48 -19.695 -6.514 -1.757 1.00 0.00 ATOM 405 O LYS 48 -15.934 0.055 0.369 1.00 0.00 ATOM 406 C LYS 48 -15.174 -0.807 -0.079 1.00 0.00 ATOM 407 N VAL 49 -14.106 -0.511 -0.804 1.00 0.00 ATOM 408 CA VAL 49 -13.751 0.867 -1.145 1.00 0.00 ATOM 409 CB VAL 49 -12.484 1.394 -0.449 1.00 0.00 ATOM 410 CG1 VAL 49 -12.669 1.398 1.062 1.00 0.00 ATOM 411 CG2 VAL 49 -11.287 0.517 -0.783 1.00 0.00 ATOM 412 O VAL 49 -13.221 0.026 -3.334 1.00 0.00 ATOM 413 C VAL 49 -13.527 1.003 -2.648 1.00 0.00 ATOM 414 N ARG 50 -13.690 2.227 -3.145 1.00 0.00 ATOM 415 CA ARG 50 -13.367 2.557 -4.526 1.00 0.00 ATOM 416 CB ARG 50 -14.549 3.224 -5.222 1.00 0.00 ATOM 417 CG ARG 50 -14.264 3.637 -6.664 1.00 0.00 ATOM 418 CD ARG 50 -15.598 4.144 -7.279 1.00 0.00 ATOM 419 NE ARG 50 -15.921 5.443 -6.678 1.00 0.00 ATOM 420 CZ ARG 50 -17.095 6.060 -6.812 1.00 0.00 ATOM 421 NH1 ARG 50 -18.068 5.491 -7.531 1.00 0.00 ATOM 422 NH2 ARG 50 -17.285 7.231 -6.208 1.00 0.00 ATOM 423 O ARG 50 -12.069 4.441 -3.778 1.00 0.00 ATOM 424 C ARG 50 -12.117 3.463 -4.522 1.00 0.00 ATOM 425 N VAL 51 -11.124 3.145 -5.350 1.00 0.00 ATOM 426 CA VAL 51 -9.893 3.962 -5.417 1.00 0.00 ATOM 427 CB VAL 51 -8.750 3.171 -6.088 1.00 0.00 ATOM 428 CG1 VAL 51 -7.535 4.033 -6.265 1.00 0.00 ATOM 429 CG2 VAL 51 -8.398 1.965 -5.249 1.00 0.00 ATOM 430 O VAL 51 -10.754 5.325 -7.233 1.00 0.00 ATOM 431 C VAL 51 -10.212 5.309 -6.136 1.00 0.00 ATOM 432 N LYS 52 -9.813 6.484 -5.508 1.00 0.00 ATOM 433 CA LYS 52 -10.039 7.766 -6.110 1.00 0.00 ATOM 434 CB LYS 52 -10.567 8.760 -5.074 1.00 0.00 ATOM 435 CG LYS 52 -11.948 8.421 -4.538 1.00 0.00 ATOM 436 CD LYS 52 -12.418 9.456 -3.529 1.00 0.00 ATOM 437 CE LYS 52 -13.762 9.074 -2.931 1.00 0.00 ATOM 438 NZ LYS 52 -14.175 10.009 -1.848 1.00 0.00 ATOM 439 O LYS 52 -8.762 8.812 -7.846 1.00 0.00 ATOM 440 C LYS 52 -8.747 8.249 -6.752 1.00 0.00 ATOM 441 N ALA 53 -7.598 8.075 -6.078 1.00 0.00 ATOM 442 CA ALA 53 -6.305 8.515 -6.592 1.00 0.00 ATOM 443 CB ALA 53 -6.185 9.978 -6.195 1.00 0.00 ATOM 444 O ALA 53 -5.430 7.125 -4.890 1.00 0.00 ATOM 445 C ALA 53 -5.201 7.698 -5.956 1.00 0.00 ATOM 446 N ILE 54 -4.036 7.704 -6.593 1.00 0.00 ATOM 447 CA ILE 54 -2.909 6.974 -6.003 1.00 0.00 ATOM 448 CB ILE 54 -2.739 5.584 -6.643 1.00 0.00 ATOM 449 CG1 ILE 54 -1.694 4.768 -5.880 1.00 0.00 ATOM 450 CG2 ILE 54 -2.286 5.715 -8.089 1.00 0.00 ATOM 451 CD1 ILE 54 -2.168 4.281 -4.528 1.00 0.00 ATOM 452 O ILE 54 -1.496 8.373 -7.304 1.00 0.00 ATOM 453 C ILE 54 -1.669 7.776 -6.232 1.00 0.00 ATOM 454 N ARG 55 -0.744 7.702 -5.277 1.00 0.00 ATOM 455 CA ARG 55 0.594 8.279 -5.445 1.00 0.00 ATOM 456 CB ARG 55 0.789 9.555 -4.590 1.00 0.00 ATOM 457 CG ARG 55 -0.243 10.626 -4.892 1.00 0.00 ATOM 458 CD ARG 55 -0.088 11.281 -6.239 1.00 0.00 ATOM 459 NE ARG 55 -0.999 12.392 -6.471 1.00 0.00 ATOM 460 CZ ARG 55 -2.216 12.292 -6.987 1.00 0.00 ATOM 461 NH1 ARG 55 -2.740 11.131 -7.356 1.00 0.00 ATOM 462 NH2 ARG 55 -2.932 13.416 -7.151 1.00 0.00 ATOM 463 O ARG 55 1.625 6.666 -4.003 1.00 0.00 ATOM 464 C ARG 55 1.636 7.230 -5.096 1.00 0.00 ATOM 465 N VAL 56 2.619 7.014 -5.972 1.00 0.00 ATOM 466 CA VAL 56 3.670 6.071 -5.720 1.00 0.00 ATOM 467 CB VAL 56 3.908 5.150 -6.931 1.00 0.00 ATOM 468 CG1 VAL 56 5.061 4.196 -6.656 1.00 0.00 ATOM 469 CG2 VAL 56 2.664 4.326 -7.228 1.00 0.00 ATOM 470 O VAL 56 5.428 7.612 -6.172 1.00 0.00 ATOM 471 C VAL 56 4.997 6.760 -5.413 1.00 0.00 ATOM 472 N TYR 57 5.628 6.386 -4.312 1.00 0.00 ATOM 473 CA TYR 57 6.927 6.983 -3.967 1.00 0.00 ATOM 474 CB TYR 57 7.104 7.052 -2.450 1.00 0.00 ATOM 475 CG TYR 57 6.207 8.064 -1.774 1.00 0.00 ATOM 476 CD1 TYR 57 4.992 7.682 -1.222 1.00 0.00 ATOM 477 CD2 TYR 57 6.580 9.400 -1.690 1.00 0.00 ATOM 478 CE1 TYR 57 4.166 8.600 -0.602 1.00 0.00 ATOM 479 CE2 TYR 57 5.766 10.332 -1.074 1.00 0.00 ATOM 480 CZ TYR 57 4.551 9.922 -0.528 1.00 0.00 ATOM 481 OH TYR 57 3.731 10.838 0.088 1.00 0.00 ATOM 482 O TYR 57 8.163 4.953 -4.306 1.00 0.00 ATOM 483 C TYR 57 8.127 6.173 -4.450 1.00 0.00 ATOM 484 N ASN 58 9.101 6.858 -5.032 1.00 0.00 ATOM 485 CA ASN 58 10.288 6.190 -5.545 1.00 0.00 ATOM 486 CB ASN 58 11.224 7.179 -6.243 1.00 0.00 ATOM 487 CG ASN 58 10.686 7.645 -7.582 1.00 0.00 ATOM 488 ND2 ASN 58 11.185 8.780 -8.056 1.00 0.00 ATOM 489 OD1 ASN 58 9.833 6.990 -8.180 1.00 0.00 ATOM 490 O ASN 58 11.822 4.539 -4.707 1.00 0.00 ATOM 491 C ASN 58 11.096 5.509 -4.443 1.00 0.00 ATOM 492 N SER 59 10.955 5.981 -3.204 1.00 0.00 ATOM 493 CA SER 59 11.619 5.319 -2.079 1.00 0.00 ATOM 494 CB SER 59 11.335 6.065 -0.773 1.00 0.00 ATOM 495 OG SER 59 11.921 7.356 -0.786 1.00 0.00 ATOM 496 O SER 59 11.755 2.898 -1.858 1.00 0.00 ATOM 497 C SER 59 11.039 3.899 -2.066 1.00 0.00 ATOM 498 N PHE 60 9.621 3.858 -2.368 1.00 0.00 ATOM 499 CA PHE 60 8.903 2.596 -2.411 1.00 0.00 ATOM 500 CB PHE 60 7.396 2.855 -2.461 1.00 0.00 ATOM 501 CG PHE 60 6.567 1.602 -2.472 1.00 0.00 ATOM 502 CD1 PHE 60 6.356 0.885 -1.308 1.00 0.00 ATOM 503 CD2 PHE 60 5.999 1.142 -3.646 1.00 0.00 ATOM 504 CE1 PHE 60 5.592 -0.268 -1.318 1.00 0.00 ATOM 505 CE2 PHE 60 5.236 -0.011 -3.658 1.00 0.00 ATOM 506 CZ PHE 60 5.031 -0.715 -2.500 1.00 0.00 ATOM 507 O PHE 60 9.354 0.525 -3.528 1.00 0.00 ATOM 508 C PHE 60 9.258 1.751 -3.634 1.00 0.00 ATOM 509 N ARG 61 9.454 2.391 -4.790 1.00 0.00 ATOM 510 CA ARG 61 9.794 1.638 -6.003 1.00 0.00 ATOM 511 CB ARG 61 9.889 2.577 -7.207 1.00 0.00 ATOM 512 CG ARG 61 8.549 3.114 -7.682 1.00 0.00 ATOM 513 CD ARG 61 8.721 4.094 -8.832 1.00 0.00 ATOM 514 NE ARG 61 7.443 4.641 -9.282 1.00 0.00 ATOM 515 CZ ARG 61 7.320 5.572 -10.222 1.00 0.00 ATOM 516 NH1 ARG 61 6.116 6.009 -10.568 1.00 0.00 ATOM 517 NH2 ARG 61 8.400 6.062 -10.815 1.00 0.00 ATOM 518 O ARG 61 11.278 -0.260 -6.212 1.00 0.00 ATOM 519 C ARG 61 11.144 0.907 -5.830 1.00 0.00 ATOM 520 N GLU 62 12.177 1.549 -5.213 1.00 0.00 ATOM 521 CA GLU 62 13.469 0.900 -4.998 1.00 0.00 ATOM 522 CB GLU 62 14.496 1.883 -4.434 1.00 0.00 ATOM 523 CG GLU 62 14.950 2.942 -5.425 1.00 0.00 ATOM 524 CD GLU 62 15.872 3.970 -4.799 1.00 0.00 ATOM 525 OE1 GLU 62 16.097 3.896 -3.571 1.00 0.00 ATOM 526 OE2 GLU 62 16.369 4.850 -5.534 1.00 0.00 ATOM 527 O GLU 62 13.969 -1.327 -4.221 1.00 0.00 ATOM 528 C GLU 62 13.341 -0.287 -4.007 1.00 0.00 ATOM 529 N MET 63 12.563 -0.088 -2.973 1.00 0.00 ATOM 530 CA MET 63 12.362 -1.159 -2.016 1.00 0.00 ATOM 531 CB MET 63 11.470 -0.708 -0.857 1.00 0.00 ATOM 532 CG MET 63 11.251 -1.769 0.208 1.00 0.00 ATOM 533 SD MET 63 10.140 -1.221 1.518 1.00 0.00 ATOM 534 CE MET 63 8.569 -1.241 0.660 1.00 0.00 ATOM 535 O MET 63 12.207 -3.483 -2.475 1.00 0.00 ATOM 536 C MET 63 11.728 -2.368 -2.697 1.00 0.00 ATOM 537 N LEU 64 10.723 -2.086 -3.504 1.00 0.00 ATOM 538 CA LEU 64 10.033 -3.177 -4.215 1.00 0.00 ATOM 539 CB LEU 64 8.851 -2.621 -5.009 1.00 0.00 ATOM 540 CG LEU 64 8.052 -3.634 -5.835 1.00 0.00 ATOM 541 CD1 LEU 64 7.434 -4.693 -4.933 1.00 0.00 ATOM 542 CD2 LEU 64 6.931 -2.944 -6.595 1.00 0.00 ATOM 543 O LEU 64 10.930 -5.107 -5.373 1.00 0.00 ATOM 544 C LEU 64 10.987 -3.881 -5.202 1.00 0.00 ATOM 545 N GLU 65 11.828 -3.105 -5.869 1.00 0.00 ATOM 546 CA GLU 65 12.783 -3.700 -6.802 1.00 0.00 ATOM 547 CB GLU 65 13.542 -2.546 -7.455 1.00 0.00 ATOM 548 CG GLU 65 12.686 -1.729 -8.426 1.00 0.00 ATOM 549 CD GLU 65 13.353 -0.407 -8.873 1.00 0.00 ATOM 550 OE1 GLU 65 14.292 0.082 -8.201 1.00 0.00 ATOM 551 OE2 GLU 65 12.899 0.144 -9.901 1.00 0.00 ATOM 552 O GLU 65 14.105 -5.681 -6.567 1.00 0.00 ATOM 553 C GLU 65 13.748 -4.618 -6.063 1.00 0.00 ATOM 554 N LYS 66 14.186 -4.201 -4.880 1.00 0.00 ATOM 555 CA LYS 66 15.101 -5.010 -4.086 1.00 0.00 ATOM 556 CB LYS 66 15.541 -4.250 -2.835 1.00 0.00 ATOM 557 CG LYS 66 16.462 -3.073 -3.116 1.00 0.00 ATOM 558 CD LYS 66 16.858 -2.363 -1.832 1.00 0.00 ATOM 559 CE LYS 66 17.758 -1.170 -2.116 1.00 0.00 ATOM 560 NZ LYS 66 18.125 -0.443 -0.870 1.00 0.00 ATOM 561 O LYS 66 14.968 -7.396 -3.783 1.00 0.00 ATOM 562 C LYS 66 14.407 -6.302 -3.658 1.00 0.00 ATOM 563 N GLU 67 13.191 -6.164 -3.131 1.00 0.00 ATOM 564 CA GLU 67 12.415 -7.316 -2.683 1.00 0.00 ATOM 565 CB GLU 67 11.066 -6.865 -2.116 1.00 0.00 ATOM 566 CG GLU 67 10.208 -8.000 -1.581 1.00 0.00 ATOM 567 CD GLU 67 8.896 -7.511 -0.998 1.00 0.00 ATOM 568 OE1 GLU 67 8.664 -6.284 -1.001 1.00 0.00 ATOM 569 OE2 GLU 67 8.100 -8.357 -0.538 1.00 0.00 ATOM 570 O GLU 67 12.337 -9.499 -3.690 1.00 0.00 ATOM 571 C GLU 67 12.141 -8.291 -3.829 1.00 0.00 ATOM 572 N GLY 68 11.720 -7.734 -4.976 1.00 0.00 ATOM 573 CA GLY 68 11.425 -8.615 -6.104 1.00 0.00 ATOM 574 O GLY 68 12.661 -10.472 -6.960 1.00 0.00 ATOM 575 C GLY 68 12.672 -9.280 -6.653 1.00 0.00 ATOM 576 N LEU 69 13.801 -8.585 -6.765 1.00 0.00 ATOM 577 CA LEU 69 15.003 -9.203 -7.312 1.00 0.00 ATOM 578 CB LEU 69 16.091 -8.136 -7.562 1.00 0.00 ATOM 579 CG LEU 69 15.753 -7.044 -8.584 1.00 0.00 ATOM 580 CD1 LEU 69 16.851 -5.983 -8.593 1.00 0.00 ATOM 581 CD2 LEU 69 15.561 -7.656 -9.944 1.00 0.00 ATOM 582 O LEU 69 16.287 -11.169 -6.796 1.00 0.00 ATOM 583 C LEU 69 15.551 -10.265 -6.389 1.00 0.00 ATOM 584 N GLU 70 15.984 -9.456 -4.969 1.00 0.00 ATOM 585 CA GLU 70 17.066 -9.751 -4.030 1.00 0.00 ATOM 586 CB GLU 70 17.927 -8.508 -3.799 1.00 0.00 ATOM 587 CG GLU 70 18.785 -8.117 -4.991 1.00 0.00 ATOM 588 CD GLU 70 19.552 -6.830 -4.759 1.00 0.00 ATOM 589 OE1 GLU 70 19.360 -6.207 -3.694 1.00 0.00 ATOM 590 OE2 GLU 70 20.346 -6.444 -5.643 1.00 0.00 ATOM 591 O GLU 70 17.363 -10.931 -1.971 1.00 0.00 ATOM 592 C GLU 70 16.621 -10.225 -2.613 1.00 0.00 ATOM 593 N ASN 71 15.464 -9.818 -2.109 1.00 0.00 ATOM 594 CA ASN 71 15.013 -10.241 -0.785 1.00 0.00 ATOM 595 CB ASN 71 14.784 -11.754 -0.755 1.00 0.00 ATOM 596 CG ASN 71 13.614 -12.183 -1.617 1.00 0.00 ATOM 597 ND2 ASN 71 13.664 -13.416 -2.109 1.00 0.00 ATOM 598 OD1 ASN 71 12.678 -11.415 -1.840 1.00 0.00 ATOM 599 O ASN 71 16.186 -10.670 1.256 1.00 0.00 ATOM 600 C ASN 71 16.019 -9.915 0.325 1.00 0.00 ATOM 601 N VAL 72 16.694 -8.782 0.219 1.00 0.00 ATOM 602 CA VAL 72 17.664 -8.359 1.229 1.00 0.00 ATOM 603 CB VAL 72 18.707 -7.392 0.640 1.00 0.00 ATOM 604 CG1 VAL 72 19.671 -6.925 1.720 1.00 0.00 ATOM 605 CG2 VAL 72 19.509 -8.076 -0.457 1.00 0.00 ATOM 606 O VAL 72 16.398 -6.549 2.229 1.00 0.00 ATOM 607 C VAL 72 16.951 -7.639 2.395 1.00 0.00 ATOM 608 N LEU 73 16.852 -8.336 3.533 1.00 0.00 ATOM 609 CA LEU 73 16.153 -7.803 4.700 1.00 0.00 ATOM 610 CB LEU 73 16.132 -8.835 5.829 1.00 0.00 ATOM 611 CG LEU 73 15.260 -10.072 5.602 1.00 0.00 ATOM 612 CD1 LEU 73 15.470 -11.089 6.711 1.00 0.00 ATOM 613 CD2 LEU 73 13.786 -9.692 5.579 1.00 0.00 ATOM 614 O LEU 73 16.423 -5.544 5.482 1.00 0.00 ATOM 615 C LEU 73 16.991 -6.554 5.052 1.00 0.00 ATOM 616 N PRO 74 18.417 -6.546 4.988 1.00 0.00 ATOM 617 CA PRO 74 19.167 -5.346 5.362 1.00 0.00 ATOM 618 CB PRO 74 20.636 -5.771 5.150 1.00 0.00 ATOM 619 CG PRO 74 20.621 -7.197 5.491 1.00 0.00 ATOM 620 CD PRO 74 19.343 -7.678 4.763 1.00 0.00 ATOM 621 O PRO 74 18.539 -3.020 5.092 1.00 0.00 ATOM 622 C PRO 74 18.850 -4.061 4.526 1.00 0.00 ATOM 623 N GLY 75 18.634 -4.234 3.238 1.00 0.00 ATOM 624 CA GLY 75 18.276 -3.113 2.368 1.00 0.00 ATOM 625 O GLY 75 16.416 -1.516 2.554 1.00 0.00 ATOM 626 C GLY 75 16.791 -2.698 2.621 1.00 0.00 ATOM 627 N VAL 76 15.929 -3.666 2.866 1.00 0.00 ATOM 628 CA VAL 76 14.559 -3.316 3.194 1.00 0.00 ATOM 629 CB VAL 76 13.694 -4.571 3.413 1.00 0.00 ATOM 630 CG1 VAL 76 12.323 -4.187 3.948 1.00 0.00 ATOM 631 CG2 VAL 76 13.507 -5.325 2.105 1.00 0.00 ATOM 632 O VAL 76 13.761 -1.512 4.572 1.00 0.00 ATOM 633 C VAL 76 14.541 -2.461 4.455 1.00 0.00 ATOM 634 N LYS 77 15.414 -2.808 5.425 1.00 0.00 ATOM 635 CA LYS 77 15.512 -2.058 6.667 1.00 0.00 ATOM 636 CB LYS 77 16.553 -2.703 7.583 1.00 0.00 ATOM 637 CG LYS 77 16.144 -4.063 8.127 1.00 0.00 ATOM 638 CD LYS 77 17.208 -4.632 9.050 1.00 0.00 ATOM 639 CE LYS 77 16.807 -6.001 9.577 1.00 0.00 ATOM 640 NZ LYS 77 17.847 -6.578 10.473 1.00 0.00 ATOM 641 O LYS 77 15.339 0.324 6.748 1.00 0.00 ATOM 642 C LYS 77 15.955 -0.644 6.307 1.00 0.00 ATOM 643 N SER 78 16.938 -0.684 5.319 1.00 0.00 ATOM 644 CA SER 78 17.449 0.613 4.901 1.00 0.00 ATOM 645 CB SER 78 18.560 0.439 3.863 1.00 0.00 ATOM 646 OG SER 78 19.700 -0.180 4.434 1.00 0.00 ATOM 647 O SER 78 16.138 2.635 4.615 1.00 0.00 ATOM 648 C SER 78 16.349 1.471 4.294 1.00 0.00 ATOM 649 N ILE 79 15.611 0.885 3.330 1.00 0.00 ATOM 650 CA ILE 79 14.520 1.636 2.707 1.00 0.00 ATOM 651 CB ILE 79 13.902 0.840 1.543 1.00 0.00 ATOM 652 CG1 ILE 79 14.964 0.532 0.484 1.00 0.00 ATOM 653 CG2 ILE 79 12.784 1.634 0.887 1.00 0.00 ATOM 654 CD1 ILE 79 15.624 1.764 -0.094 1.00 0.00 ATOM 655 O ILE 79 12.685 2.849 3.566 1.00 0.00 ATOM 656 C ILE 79 13.441 1.955 3.721 1.00 0.00 ATOM 657 N GLU 80 13.335 1.133 4.767 1.00 0.00 ATOM 658 CA GLU 80 12.302 1.441 5.714 1.00 0.00 ATOM 659 CB GLU 80 12.286 0.411 6.845 1.00 0.00 ATOM 660 CG GLU 80 11.179 0.625 7.864 1.00 0.00 ATOM 661 CD GLU 80 11.160 -0.447 8.936 1.00 0.00 ATOM 662 OE1 GLU 80 12.001 -1.369 8.870 1.00 0.00 ATOM 663 OE2 GLU 80 10.304 -0.367 9.842 1.00 0.00 ATOM 664 O GLU 80 11.498 3.585 6.479 1.00 0.00 ATOM 665 C GLU 80 12.477 2.816 6.359 1.00 0.00 ATOM 666 N GLU 81 13.727 3.101 6.739 1.00 0.00 ATOM 667 CA GLU 81 14.036 4.387 7.360 1.00 0.00 ATOM 668 CB GLU 81 15.481 4.351 7.936 1.00 0.00 ATOM 669 CG GLU 81 15.526 3.630 9.288 1.00 0.00 ATOM 670 CD GLU 81 16.914 3.113 9.602 1.00 0.00 ATOM 671 OE1 GLU 81 17.745 3.095 8.675 1.00 0.00 ATOM 672 OE2 GLU 81 17.114 2.744 10.787 1.00 0.00 ATOM 673 O GLU 81 13.320 6.578 6.701 1.00 0.00 ATOM 674 C GLU 81 13.818 5.514 6.352 1.00 0.00 ATOM 675 N GLY 82 14.172 5.267 5.092 1.00 0.00 ATOM 676 CA GLY 82 13.994 6.283 4.058 1.00 0.00 ATOM 677 O GLY 82 12.108 7.738 3.754 1.00 0.00 ATOM 678 C GLY 82 12.507 6.580 3.890 1.00 0.00 ATOM 679 N ILE 83 11.700 5.592 3.818 1.00 0.00 ATOM 680 CA ILE 83 10.267 5.760 3.616 1.00 0.00 ATOM 681 CB ILE 83 9.530 4.394 3.368 1.00 0.00 ATOM 682 CG1 ILE 83 10.067 3.837 2.023 1.00 0.00 ATOM 683 CG2 ILE 83 8.001 4.622 3.399 1.00 0.00 ATOM 684 CD1 ILE 83 9.601 2.364 1.783 1.00 0.00 ATOM 685 O ILE 83 8.895 7.435 4.628 1.00 0.00 ATOM 686 C ILE 83 9.693 6.524 4.806 1.00 0.00 ATOM 687 N GLN 84 10.121 6.157 6.007 1.00 0.00 ATOM 688 CA GLN 84 9.626 6.833 7.204 1.00 0.00 ATOM 689 CB GLN 84 10.247 6.195 8.448 1.00 0.00 ATOM 690 CG GLN 84 9.753 6.782 9.760 1.00 0.00 ATOM 691 CD GLN 84 10.376 6.113 10.969 1.00 0.00 ATOM 692 OE1 GLN 84 11.251 5.259 10.836 1.00 0.00 ATOM 693 NE2 GLN 84 9.924 6.502 12.157 1.00 0.00 ATOM 694 O GLN 84 9.184 9.178 7.475 1.00 0.00 ATOM 695 C GLN 84 10.010 8.310 7.185 1.00 0.00 ATOM 696 N VAL 85 11.249 8.571 6.848 1.00 0.00 ATOM 697 CA VAL 85 11.720 9.953 6.795 1.00 0.00 ATOM 698 CB VAL 85 13.218 9.989 6.439 1.00 0.00 ATOM 699 CG1 VAL 85 13.669 11.420 6.184 1.00 0.00 ATOM 700 CG2 VAL 85 14.050 9.419 7.576 1.00 0.00 ATOM 701 O VAL 85 10.554 11.887 5.965 1.00 0.00 ATOM 702 C VAL 85 10.944 10.738 5.739 1.00 0.00 ATOM 703 N TYR 86 10.711 10.124 4.575 1.00 0.00 ATOM 704 CA TYR 86 9.977 10.798 3.513 1.00 0.00 ATOM 705 CB TYR 86 9.828 9.976 2.261 1.00 0.00 ATOM 706 CG TYR 86 10.944 10.235 1.271 1.00 0.00 ATOM 707 CD1 TYR 86 12.239 9.784 1.520 1.00 0.00 ATOM 708 CD2 TYR 86 10.713 10.968 0.104 1.00 0.00 ATOM 709 CE1 TYR 86 13.285 10.055 0.632 1.00 0.00 ATOM 710 CE2 TYR 86 11.756 11.246 -0.794 1.00 0.00 ATOM 711 CZ TYR 86 13.038 10.785 -0.520 1.00 0.00 ATOM 712 OH TYR 86 14.077 11.046 -1.392 1.00 0.00 ATOM 713 O TYR 86 8.013 12.160 3.614 1.00 0.00 ATOM 714 C TYR 86 8.541 11.094 3.923 1.00 0.00 ATOM 715 N ARG 87 7.871 10.114 4.521 1.00 0.00 ATOM 716 CA ARG 87 6.492 10.323 4.937 1.00 0.00 ATOM 717 CB ARG 87 5.925 8.928 5.457 1.00 0.00 ATOM 718 CG ARG 87 5.793 7.849 4.372 1.00 0.00 ATOM 719 CD ARG 87 4.525 8.043 3.537 1.00 0.00 ATOM 720 NE ARG 87 3.329 8.002 4.393 1.00 0.00 ATOM 721 CZ ARG 87 2.075 7.852 3.968 1.00 0.00 ATOM 722 NH1 ARG 87 1.807 7.722 2.661 1.00 0.00 ATOM 723 NH2 ARG 87 1.078 7.838 4.853 1.00 0.00 ATOM 724 O ARG 87 5.554 12.366 5.757 1.00 0.00 ATOM 725 C ARG 87 6.390 11.483 5.921 1.00 0.00 ATOM 726 N ARG 88 7.321 11.518 6.877 1.00 0.00 ATOM 727 CA ARG 88 7.317 12.573 7.883 1.00 0.00 ATOM 728 CB ARG 88 8.232 12.195 9.047 1.00 0.00 ATOM 729 CG ARG 88 7.722 10.995 9.830 1.00 0.00 ATOM 730 CD ARG 88 8.640 10.627 10.973 1.00 0.00 ATOM 731 NE ARG 88 8.077 9.553 11.786 1.00 0.00 ATOM 732 CZ ARG 88 8.716 8.939 12.776 1.00 0.00 ATOM 733 NH1 ARG 88 9.957 9.287 13.093 1.00 0.00 ATOM 734 NH2 ARG 88 8.112 7.971 13.454 1.00 0.00 ATOM 735 O ARG 88 6.853 14.877 7.492 1.00 0.00 ATOM 736 C ARG 88 7.643 13.951 7.312 1.00 0.00 ATOM 737 N PHE 89 8.582 14.014 6.377 1.00 0.00 ATOM 738 CA PHE 89 8.952 15.272 5.760 1.00 0.00 ATOM 739 CB PHE 89 10.278 15.132 5.011 1.00 0.00 ATOM 740 CG PHE 89 10.766 16.413 4.397 1.00 0.00 ATOM 741 CD1 PHE 89 11.382 17.379 5.173 1.00 0.00 ATOM 742 CD2 PHE 89 10.609 16.653 3.043 1.00 0.00 ATOM 743 CE1 PHE 89 11.830 18.558 4.609 1.00 0.00 ATOM 744 CE2 PHE 89 11.058 17.832 2.479 1.00 0.00 ATOM 745 CZ PHE 89 11.665 18.783 3.255 1.00 0.00 ATOM 746 O PHE 89 7.676 17.006 4.701 1.00 0.00 ATOM 747 C PHE 89 7.946 15.804 4.745 1.00 0.00 ATOM 748 N TYR 90 7.432 14.790 3.794 1.00 0.00 ATOM 749 CA TYR 90 6.537 15.312 2.768 1.00 0.00 ATOM 750 CB TYR 90 6.789 14.612 1.431 1.00 0.00 ATOM 751 CG TYR 90 8.164 14.868 0.856 1.00 0.00 ATOM 752 CD1 TYR 90 9.164 13.910 0.952 1.00 0.00 ATOM 753 CD2 TYR 90 8.457 16.068 0.219 1.00 0.00 ATOM 754 CE1 TYR 90 10.424 14.135 0.429 1.00 0.00 ATOM 755 CE2 TYR 90 9.711 16.310 -0.310 1.00 0.00 ATOM 756 CZ TYR 90 10.697 15.330 -0.199 1.00 0.00 ATOM 757 OH TYR 90 11.950 15.557 -0.721 1.00 0.00 ATOM 758 O TYR 90 4.254 15.494 2.092 1.00 0.00 ATOM 759 C TYR 90 5.032 15.178 2.982 1.00 0.00 ATOM 760 N ASP 91 4.602 14.674 4.128 1.00 0.00 ATOM 761 CA ASP 91 3.175 14.569 4.403 1.00 0.00 ATOM 762 CB ASP 91 2.992 13.808 5.732 1.00 0.00 ATOM 763 CG ASP 91 3.121 12.321 5.535 1.00 0.00 ATOM 764 OD1 ASP 91 3.238 11.819 4.453 1.00 0.00 ATOM 765 OD2 ASP 91 3.202 11.684 6.593 1.00 0.00 ATOM 766 O ASP 91 1.340 16.046 4.005 1.00 0.00 ATOM 767 C ASP 91 2.463 15.912 4.487 1.00 0.00 ATOM 768 N GLU 92 3.111 16.901 5.106 1.00 0.00 ATOM 769 CA GLU 92 2.503 18.220 5.222 1.00 0.00 ATOM 770 CB GLU 92 3.354 19.140 6.070 1.00 0.00 ATOM 771 CG GLU 92 2.628 20.491 6.316 1.00 0.00 ATOM 772 CD GLU 92 3.428 21.481 7.174 1.00 0.00 ATOM 773 OE1 GLU 92 4.533 21.118 7.679 1.00 0.00 ATOM 774 OE2 GLU 92 2.926 22.634 7.308 1.00 0.00 ATOM 775 O GLU 92 1.267 19.420 3.547 1.00 0.00 ATOM 776 C GLU 92 2.316 18.850 3.848 1.00 0.00 ATOM 777 N GLU 93 3.327 18.759 2.941 1.00 0.00 ATOM 778 CA GLU 93 3.359 19.302 1.590 1.00 0.00 ATOM 779 CB GLU 93 4.771 19.195 1.007 1.00 0.00 ATOM 780 CG GLU 93 5.729 20.244 1.591 1.00 0.00 ATOM 781 CD GLU 93 7.171 20.085 1.131 1.00 0.00 ATOM 782 OE1 GLU 93 7.402 19.444 0.086 1.00 0.00 ATOM 783 OE2 GLU 93 8.074 20.619 1.815 1.00 0.00 ATOM 784 O GLU 93 1.610 19.225 -0.054 1.00 0.00 ATOM 785 C GLU 93 2.353 18.587 0.692 1.00 0.00 ATOM 786 N LYS 94 2.294 17.271 0.781 1.00 0.00 ATOM 787 CA LYS 94 1.374 16.460 -0.007 1.00 0.00 ATOM 788 CB LYS 94 1.626 14.971 0.242 1.00 0.00 ATOM 789 CG LYS 94 0.739 14.047 -0.576 1.00 0.00 ATOM 790 CD LYS 94 1.095 12.588 -0.339 1.00 0.00 ATOM 791 CE LYS 94 0.190 11.663 -1.135 1.00 0.00 ATOM 792 NZ LYS 94 0.517 10.229 -0.901 1.00 0.00 ATOM 793 O LYS 94 -0.912 17.038 -0.460 1.00 0.00 ATOM 794 C LYS 94 -0.050 16.830 0.396 1.00 0.00 ATOM 795 N GLU 95 -0.283 16.939 1.763 1.00 0.00 ATOM 796 CA GLU 95 -1.610 17.284 2.259 1.00 0.00 ATOM 797 CB GLU 95 -1.628 17.168 3.785 1.00 0.00 ATOM 798 CG GLU 95 -1.515 15.743 4.300 1.00 0.00 ATOM 799 CD GLU 95 -1.413 15.676 5.811 1.00 0.00 ATOM 800 OE1 GLU 95 -1.359 16.748 6.450 1.00 0.00 ATOM 801 OE2 GLU 95 -1.388 14.553 6.356 1.00 0.00 ATOM 802 O GLU 95 -3.088 18.928 1.391 1.00 0.00 ATOM 803 C GLU 95 -1.987 18.691 1.877 1.00 0.00 ATOM 804 N LYS 96 -1.016 19.599 1.979 1.00 0.00 ATOM 805 CA LYS 96 -1.284 20.990 1.638 1.00 0.00 ATOM 806 CB LYS 96 -0.095 21.874 2.022 1.00 0.00 ATOM 807 CG LYS 96 -0.322 23.357 1.781 1.00 0.00 ATOM 808 CD LYS 96 0.861 24.181 2.262 1.00 0.00 ATOM 809 CE LYS 96 0.632 25.666 2.026 1.00 0.00 ATOM 810 NZ LYS 96 1.783 26.487 2.494 1.00 0.00 ATOM 811 O LYS 96 -2.169 22.094 -0.299 1.00 0.00 ATOM 812 C LYS 96 -1.531 21.139 0.144 1.00 0.00 ATOM 813 N LYS 97 -0.974 20.136 -0.895 1.00 0.00 ATOM 814 CA LYS 97 -1.094 20.172 -2.344 1.00 0.00 ATOM 815 CB LYS 97 0.236 19.801 -3.002 1.00 0.00 ATOM 816 CG LYS 97 1.322 20.852 -2.844 1.00 0.00 ATOM 817 CD LYS 97 2.615 20.418 -3.513 1.00 0.00 ATOM 818 CE LYS 97 3.702 21.467 -3.350 1.00 0.00 ATOM 819 NZ LYS 97 4.985 21.041 -3.974 1.00 0.00 ATOM 820 O LYS 97 -2.772 19.467 -3.916 1.00 0.00 ATOM 821 C LYS 97 -2.144 19.204 -2.883 1.00 0.00 ATOM 822 N TYR 98 -2.350 18.108 -2.163 1.00 0.00 ATOM 823 CA TYR 98 -3.269 17.060 -2.610 1.00 0.00 ATOM 824 CB TYR 98 -2.538 15.671 -2.604 1.00 0.00 ATOM 825 CG TYR 98 -1.406 15.666 -3.633 1.00 0.00 ATOM 826 CD1 TYR 98 -1.699 15.455 -4.963 1.00 0.00 ATOM 827 CD2 TYR 98 -0.082 15.899 -3.282 1.00 0.00 ATOM 828 CE1 TYR 98 -0.728 15.477 -5.934 1.00 0.00 ATOM 829 CE2 TYR 98 0.914 15.940 -4.248 1.00 0.00 ATOM 830 CZ TYR 98 0.592 15.704 -5.569 1.00 0.00 ATOM 831 OH TYR 98 1.523 15.728 -6.568 1.00 0.00 ATOM 832 O TYR 98 -5.314 15.983 -2.004 1.00 0.00 ATOM 833 C TYR 98 -4.490 16.843 -1.715 1.00 0.00 ATOM 834 N GLY 99 -4.604 17.619 -0.641 1.00 0.00 ATOM 835 CA GLY 99 -5.744 17.475 0.252 1.00 0.00 ATOM 836 O GLY 99 -6.921 15.708 1.356 1.00 0.00 ATOM 837 C GLY 99 -5.835 16.159 1.004 1.00 0.00 ATOM 838 N VAL 100 -4.708 15.505 1.227 1.00 0.00 ATOM 839 CA VAL 100 -4.732 14.257 1.958 1.00 0.00 ATOM 840 CB VAL 100 -3.337 13.608 2.012 1.00 0.00 ATOM 841 CG1 VAL 100 -3.349 12.391 2.924 1.00 0.00 ATOM 842 CG2 VAL 100 -2.902 13.163 0.624 1.00 0.00 ATOM 843 O VAL 100 -4.755 15.443 4.061 1.00 0.00 ATOM 844 C VAL 100 -5.202 14.508 3.391 1.00 0.00 ATOM 845 N VAL 101 -6.091 13.659 3.875 1.00 0.00 ATOM 846 CA VAL 101 -6.612 13.813 5.247 1.00 0.00 ATOM 847 CB VAL 101 -8.154 13.805 5.270 1.00 0.00 ATOM 848 CG1 VAL 101 -8.666 13.927 6.697 1.00 0.00 ATOM 849 CG2 VAL 101 -8.703 14.969 4.461 1.00 0.00 ATOM 850 O VAL 101 -6.424 11.495 5.827 1.00 0.00 ATOM 851 C VAL 101 -6.145 12.657 6.122 1.00 0.00 ATOM 852 N ALA 102 -5.414 12.966 7.187 1.00 0.00 ATOM 853 CA ALA 102 -4.925 11.926 8.085 1.00 0.00 ATOM 854 CB ALA 102 -3.720 12.425 8.868 1.00 0.00 ATOM 855 O ALA 102 -6.633 12.376 9.707 1.00 0.00 ATOM 856 C ALA 102 -5.989 11.523 9.093 1.00 0.00 ATOM 857 N ILE 103 -6.154 10.217 9.275 1.00 0.00 ATOM 858 CA ILE 103 -7.137 9.695 10.211 1.00 0.00 ATOM 859 CB ILE 103 -8.232 8.920 9.455 1.00 0.00 ATOM 860 CG1 ILE 103 -8.926 9.831 8.440 1.00 0.00 ATOM 861 CG2 ILE 103 -9.277 8.392 10.425 1.00 0.00 ATOM 862 CD1 ILE 103 -9.894 9.106 7.530 1.00 0.00 ATOM 863 O ILE 103 -5.891 7.727 10.811 1.00 0.00 ATOM 864 C ILE 103 -6.452 8.753 11.199 1.00 0.00 ATOM 865 N GLU 104 -6.475 9.173 12.476 1.00 0.00 ATOM 866 CA GLU 104 -5.830 8.401 13.527 1.00 0.00 ATOM 867 CB GLU 104 -5.857 9.171 14.850 1.00 0.00 ATOM 868 CG GLU 104 -5.106 10.490 14.816 1.00 0.00 ATOM 869 CD GLU 104 -5.269 11.287 16.096 1.00 0.00 ATOM 870 OE1 GLU 104 -5.991 10.816 17.001 1.00 0.00 ATOM 871 OE2 GLU 104 -4.676 12.380 16.194 1.00 0.00 ATOM 872 O GLU 104 -5.863 6.107 14.206 1.00 0.00 ATOM 873 C GLU 104 -6.516 7.057 13.764 1.00 0.00 ATOM 874 N ILE 105 -7.996 6.570 14.203 1.00 0.00 ATOM 875 CA ILE 105 -8.507 5.383 14.877 1.00 0.00 ATOM 876 CB ILE 105 -9.957 5.583 15.353 1.00 0.00 ATOM 877 CG1 ILE 105 -10.012 6.624 16.473 1.00 0.00 ATOM 878 CG2 ILE 105 -10.532 4.278 15.880 1.00 0.00 ATOM 879 CD1 ILE 105 -11.415 7.079 16.817 1.00 0.00 ATOM 880 O ILE 105 -8.193 3.081 14.257 1.00 0.00 ATOM 881 C ILE 105 -8.458 4.221 13.884 1.00 0.00 ATOM 882 N GLU 106 -8.732 4.550 12.500 1.00 0.00 ATOM 883 CA GLU 106 -8.735 3.356 11.652 1.00 0.00 ATOM 884 CB GLU 106 -9.830 3.457 10.589 1.00 0.00 ATOM 885 CG GLU 106 -11.242 3.492 11.153 1.00 0.00 ATOM 886 CD GLU 106 -12.302 3.546 10.071 1.00 0.00 ATOM 887 OE1 GLU 106 -11.931 3.614 8.879 1.00 0.00 ATOM 888 OE2 GLU 106 -13.502 3.519 10.412 1.00 0.00 ATOM 889 O GLU 106 -6.690 4.107 10.648 1.00 0.00 ATOM 890 C GLU 106 -7.411 3.152 10.921 1.00 0.00 ATOM 891 N PRO 107 -7.071 1.889 10.611 1.00 0.00 ATOM 892 CA PRO 107 -5.824 1.584 9.900 1.00 0.00 ATOM 893 CB PRO 107 -5.754 0.056 9.912 1.00 0.00 ATOM 894 CG PRO 107 -7.174 -0.382 10.036 1.00 0.00 ATOM 895 CD PRO 107 -7.861 0.662 10.873 1.00 0.00 ATOM 896 O PRO 107 -6.919 2.125 7.829 1.00 0.00 ATOM 897 C PRO 107 -5.870 2.136 8.473 1.00 0.00 ATOM 898 N LEU 108 -4.726 2.607 7.986 1.00 0.00 ATOM 899 CA LEU 108 -4.629 3.168 6.645 1.00 0.00 ATOM 900 CB LEU 108 -3.837 4.476 6.667 1.00 0.00 ATOM 901 CG LEU 108 -4.409 5.601 7.532 1.00 0.00 ATOM 902 CD1 LEU 108 -3.482 6.805 7.530 1.00 0.00 ATOM 903 CD2 LEU 108 -5.766 6.044 7.007 1.00 0.00 ATOM 904 O LEU 108 -2.808 1.780 5.927 1.00 0.00 ATOM 905 C LEU 108 -3.926 2.230 5.672 1.00 0.00 ATOM 906 N GLU 109 -4.592 1.932 4.560 1.00 0.00 ATOM 907 CA GLU 109 -4.019 1.068 3.536 1.00 0.00 ATOM 908 CB GLU 109 -5.102 0.167 2.937 1.00 0.00 ATOM 909 CG GLU 109 -4.598 -0.772 1.852 1.00 0.00 ATOM 910 CD GLU 109 -5.700 -1.637 1.273 1.00 0.00 ATOM 911 OE1 GLU 109 -6.859 -1.501 1.719 1.00 0.00 ATOM 912 OE2 GLU 109 -5.403 -2.451 0.374 1.00 0.00 ATOM 913 O GLU 109 -4.138 2.610 1.710 1.00 0.00 ATOM 914 C GLU 109 -3.415 1.925 2.433 1.00 0.00 ATOM 915 N TYR 110 -2.120 1.723 2.196 1.00 0.00 ATOM 916 CA TYR 110 -1.394 2.504 1.172 1.00 0.00 ATOM 917 CB TYR 110 0.117 2.243 1.238 1.00 0.00 ATOM 918 CG TYR 110 0.920 3.001 0.193 1.00 0.00 ATOM 919 CD1 TYR 110 1.298 4.331 0.401 1.00 0.00 ATOM 920 CD2 TYR 110 1.288 2.385 -1.011 1.00 0.00 ATOM 921 CE1 TYR 110 2.024 5.027 -0.569 1.00 0.00 ATOM 922 CE2 TYR 110 2.008 3.069 -1.983 1.00 0.00 ATOM 923 CZ TYR 110 2.372 4.386 -1.761 1.00 0.00 ATOM 924 OH TYR 110 3.058 5.065 -2.757 1.00 0.00 ATOM 925 O TYR 110 -2.176 3.049 -1.080 1.00 0.00 ATOM 926 C TYR 110 -1.885 2.155 -0.237 1.00 0.00 TER END