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 try6-opt2.repack-nonPC, the same undertaker-created backbone METHOD as our model 1, but with sidechains repacked by Rosetta. METHOD It has the lowest Rosetta energy of any of our repacked models. METHOD REMARK 6 REMARK 6 T0214 model 2 Thu Aug 12 17:37:26 2004 MODEL 2 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 2.614 3.350 -3.693 1.00 0.00 ATOM 2 CA MET 1 3.560 3.899 -2.724 1.00 0.00 ATOM 3 CB MET 1 2.811 4.494 -1.534 1.00 0.00 ATOM 4 CG MET 1 3.700 5.190 -0.513 1.00 0.00 ATOM 5 SD MET 1 2.761 5.936 0.834 1.00 0.00 ATOM 6 CE MET 1 2.054 7.357 0.007 1.00 0.00 ATOM 7 O MET 1 4.183 1.614 -2.274 1.00 0.00 ATOM 8 C MET 1 4.523 2.801 -2.278 1.00 0.00 ATOM 9 N GLU 2 5.716 3.169 -1.848 1.00 0.00 ATOM 10 CA GLU 2 6.696 2.213 -1.365 1.00 0.00 ATOM 11 CB GLU 2 8.043 2.901 -1.127 1.00 0.00 ATOM 12 CG GLU 2 8.754 3.345 -2.396 1.00 0.00 ATOM 13 CD GLU 2 9.012 2.182 -3.314 1.00 0.00 ATOM 14 OE1 GLU 2 9.569 1.209 -2.866 1.00 0.00 ATOM 15 OE2 GLU 2 8.554 2.220 -4.431 1.00 0.00 ATOM 16 O GLU 2 6.481 0.393 0.200 1.00 0.00 ATOM 17 C GLU 2 6.191 1.554 -0.085 1.00 0.00 ATOM 18 N TRP 3 5.393 2.294 0.716 1.00 0.00 ATOM 19 CA TRP 3 4.896 1.780 1.978 1.00 0.00 ATOM 20 CB TRP 3 4.184 2.885 2.760 1.00 0.00 ATOM 21 CG TRP 3 3.530 2.401 4.020 1.00 0.00 ATOM 22 CD1 TRP 3 4.124 1.705 5.031 1.00 0.00 ATOM 23 CD2 TRP 3 2.161 2.577 4.403 1.00 0.00 ATOM 24 CE2 TRP 3 1.996 1.962 5.656 1.00 0.00 ATOM 25 CE3 TRP 3 1.057 3.198 3.804 1.00 0.00 ATOM 26 NE1 TRP 3 3.210 1.435 6.019 1.00 0.00 ATOM 27 CZ2 TRP 3 0.781 1.945 6.322 1.00 0.00 ATOM 28 CZ3 TRP 3 -0.161 3.181 4.472 1.00 0.00 ATOM 29 CH2 TRP 3 -0.296 2.574 5.695 1.00 0.00 ATOM 30 O TRP 3 4.001 -0.409 2.448 1.00 0.00 ATOM 31 C TRP 3 3.947 0.597 1.769 1.00 0.00 ATOM 32 N GLU 4 3.034 0.735 0.722 1.00 0.00 ATOM 33 CA GLU 4 2.106 -0.353 0.410 1.00 0.00 ATOM 34 CB GLU 4 1.011 0.134 -0.541 1.00 0.00 ATOM 35 CG GLU 4 0.129 1.237 0.027 1.00 0.00 ATOM 36 CD GLU 4 -0.628 1.947 -1.061 1.00 0.00 ATOM 37 OE1 GLU 4 -0.415 1.633 -2.208 1.00 0.00 ATOM 38 OE2 GLU 4 -1.498 2.722 -0.743 1.00 0.00 ATOM 39 O GLU 4 2.535 -2.686 0.082 1.00 0.00 ATOM 40 C GLU 4 2.870 -1.530 -0.199 1.00 0.00 ATOM 41 N MET 5 3.870 -1.284 -1.032 1.00 0.00 ATOM 42 CA MET 5 4.706 -2.387 -1.531 1.00 0.00 ATOM 43 CB MET 5 5.817 -1.844 -2.427 1.00 0.00 ATOM 44 CG MET 5 5.337 -1.288 -3.760 1.00 0.00 ATOM 45 SD MET 5 6.667 -0.539 -4.721 1.00 0.00 ATOM 46 CE MET 5 7.656 -1.981 -5.109 1.00 0.00 ATOM 47 O MET 5 5.380 -4.399 -0.408 1.00 0.00 ATOM 48 C MET 5 5.275 -3.157 -0.352 1.00 0.00 ATOM 49 N GLY 6 5.741 -2.443 0.661 1.00 0.00 ATOM 50 CA GLY 6 6.313 -3.088 1.831 1.00 0.00 ATOM 51 O GLY 6 5.432 -5.186 2.616 1.00 0.00 ATOM 52 C GLY 6 5.272 -3.965 2.510 1.00 0.00 ATOM 53 N LEU 7 4.194 -3.357 2.958 1.00 0.00 ATOM 54 CA LEU 7 3.121 -4.040 3.621 1.00 0.00 ATOM 55 CB LEU 7 2.708 -3.277 4.887 1.00 0.00 ATOM 56 CG LEU 7 3.807 -3.129 5.947 1.00 0.00 ATOM 57 CD1 LEU 7 3.304 -2.275 7.103 1.00 0.00 ATOM 58 CD2 LEU 7 4.229 -4.506 6.438 1.00 0.00 ATOM 59 O LEU 7 0.744 -4.241 3.228 1.00 0.00 ATOM 60 C LEU 7 1.891 -4.253 2.754 1.00 0.00 ATOM 61 N GLN 8 2.067 -4.596 1.417 1.00 0.00 ATOM 62 CA GLN 8 0.967 -4.952 0.538 1.00 0.00 ATOM 63 CB GLN 8 1.478 -5.203 -0.884 1.00 0.00 ATOM 64 CG GLN 8 0.381 -5.301 -1.930 1.00 0.00 ATOM 65 CD GLN 8 -0.374 -3.996 -2.100 1.00 0.00 ATOM 66 OE1 GLN 8 0.227 -2.923 -2.193 1.00 0.00 ATOM 67 NE2 GLN 8 -1.699 -4.082 -2.138 1.00 0.00 ATOM 68 O GLN 8 -0.956 -6.197 1.225 1.00 0.00 ATOM 69 C GLN 8 0.258 -6.187 1.078 1.00 0.00 ATOM 70 N GLU 9 1.014 -7.199 1.389 1.00 0.00 ATOM 71 CA GLU 9 0.436 -8.429 1.913 1.00 0.00 ATOM 72 CB GLU 9 1.516 -9.500 2.078 1.00 0.00 ATOM 73 CG GLU 9 0.999 -10.843 2.573 1.00 0.00 ATOM 74 CD GLU 9 2.109 -11.853 2.675 1.00 0.00 ATOM 75 OE1 GLU 9 3.225 -11.514 2.360 1.00 0.00 ATOM 76 OE2 GLU 9 1.864 -12.928 3.171 1.00 0.00 ATOM 77 O GLU 9 -1.424 -8.671 3.417 1.00 0.00 ATOM 78 C GLU 9 -0.281 -8.234 3.250 1.00 0.00 ATOM 79 N GLU 10 0.390 -7.562 4.188 1.00 0.00 ATOM 80 CA GLU 10 -0.163 -7.304 5.518 1.00 0.00 ATOM 81 CB GLU 10 0.859 -6.568 6.388 1.00 0.00 ATOM 82 CG GLU 10 1.992 -7.442 6.903 1.00 0.00 ATOM 83 CD GLU 10 1.475 -8.548 7.781 1.00 0.00 ATOM 84 OE1 GLU 10 0.759 -8.257 8.709 1.00 0.00 ATOM 85 OE2 GLU 10 1.701 -9.690 7.460 1.00 0.00 ATOM 86 O GLU 10 -2.496 -6.904 5.930 1.00 0.00 ATOM 87 C GLU 10 -1.452 -6.499 5.411 1.00 0.00 ATOM 88 N PHE 11 -1.383 -5.348 4.752 1.00 0.00 ATOM 89 CA PHE 11 -2.559 -4.500 4.573 1.00 0.00 ATOM 90 CB PHE 11 -2.161 -3.159 3.954 1.00 0.00 ATOM 91 CG PHE 11 -1.173 -2.382 4.776 1.00 0.00 ATOM 92 CD1 PHE 11 -0.189 -1.620 4.165 1.00 0.00 ATOM 93 CD2 PHE 11 -1.226 -2.411 6.161 1.00 0.00 ATOM 94 CE1 PHE 11 0.721 -0.904 4.922 1.00 0.00 ATOM 95 CE2 PHE 11 -0.319 -1.696 6.920 1.00 0.00 ATOM 96 CZ PHE 11 0.655 -0.942 6.297 1.00 0.00 ATOM 97 O PHE 11 -4.798 -5.086 3.967 1.00 0.00 ATOM 98 C PHE 11 -3.597 -5.197 3.706 1.00 0.00 ATOM 99 N LEU 12 -3.176 -5.877 2.671 1.00 0.00 ATOM 100 CA LEU 12 -4.108 -6.577 1.794 1.00 0.00 ATOM 101 CB LEU 12 -3.353 -7.217 0.622 1.00 0.00 ATOM 102 CG LEU 12 -4.225 -8.012 -0.360 1.00 0.00 ATOM 103 CD1 LEU 12 -4.304 -9.469 0.073 1.00 0.00 ATOM 104 CD2 LEU 12 -5.614 -7.393 -0.424 1.00 0.00 ATOM 105 O LEU 12 -6.113 -7.803 2.328 1.00 0.00 ATOM 106 C LEU 12 -4.913 -7.647 2.540 1.00 0.00 ATOM 107 N GLU 13 -4.244 -8.345 3.420 1.00 0.00 ATOM 108 CA GLU 13 -4.907 -9.380 4.219 1.00 0.00 ATOM 109 CB GLU 13 -3.875 -10.193 5.003 1.00 0.00 ATOM 110 CG GLU 13 -3.027 -11.125 4.148 1.00 0.00 ATOM 111 CD GLU 13 -3.880 -12.119 3.412 1.00 0.00 ATOM 112 OE1 GLU 13 -4.665 -12.784 4.046 1.00 0.00 ATOM 113 OE2 GLU 13 -3.831 -12.138 2.205 1.00 0.00 ATOM 114 O GLU 13 -7.046 -9.351 5.316 1.00 0.00 ATOM 115 C GLU 13 -5.940 -8.818 5.192 1.00 0.00 ATOM 116 N LEU 14 -5.561 -7.764 5.880 1.00 0.00 ATOM 117 CA LEU 14 -6.458 -7.123 6.839 1.00 0.00 ATOM 118 CB LEU 14 -5.753 -5.941 7.516 1.00 0.00 ATOM 119 CG LEU 14 -4.614 -6.319 8.471 1.00 0.00 ATOM 120 CD1 LEU 14 -3.888 -5.067 8.940 1.00 0.00 ATOM 121 CD2 LEU 14 -5.178 -7.091 9.654 1.00 0.00 ATOM 122 O LEU 14 -8.829 -6.719 6.766 1.00 0.00 ATOM 123 C LEU 14 -7.748 -6.653 6.177 1.00 0.00 ATOM 124 N ILE 15 -7.636 -6.179 4.903 1.00 0.00 ATOM 125 CA ILE 15 -8.784 -5.696 4.146 1.00 0.00 ATOM 126 CB ILE 15 -8.321 -5.011 2.847 1.00 0.00 ATOM 127 CG1 ILE 15 -7.557 -3.724 3.166 1.00 0.00 ATOM 128 CG2 ILE 15 -9.517 -4.659 1.976 1.00 0.00 ATOM 129 CD1 ILE 15 -6.842 -3.126 1.975 1.00 0.00 ATOM 130 O ILE 15 -10.928 -6.748 3.999 1.00 0.00 ATOM 131 C ILE 15 -9.726 -6.817 3.752 1.00 0.00 ATOM 132 N LYS 16 -9.160 -7.897 3.149 1.00 0.00 ATOM 133 CA LYS 16 -9.963 -9.050 2.777 1.00 0.00 ATOM 134 CB LYS 16 -9.088 -10.125 2.130 1.00 0.00 ATOM 135 CG LYS 16 -9.849 -11.361 1.669 1.00 0.00 ATOM 136 CD LYS 16 -8.927 -12.348 0.967 1.00 0.00 ATOM 137 CE LYS 16 -9.683 -13.590 0.520 1.00 0.00 ATOM 138 NZ LYS 16 -8.792 -14.569 -0.161 1.00 0.00 ATOM 139 O LYS 16 -11.833 -10.018 3.972 1.00 0.00 ATOM 140 C LYS 16 -10.673 -9.587 4.026 1.00 0.00 ATOM 141 N LEU 17 -9.898 -9.508 5.111 1.00 0.00 ATOM 142 CA LEU 17 -10.411 -9.988 6.385 1.00 0.00 ATOM 143 CB LEU 17 -9.272 -10.098 7.408 1.00 0.00 ATOM 144 CG LEU 17 -8.223 -11.174 7.103 1.00 0.00 ATOM 145 CD1 LEU 17 -7.083 -11.091 8.108 1.00 0.00 ATOM 146 CD2 LEU 17 -8.877 -12.547 7.144 1.00 0.00 ATOM 147 O LEU 17 -12.331 -9.495 7.714 1.00 0.00 ATOM 148 C LEU 17 -11.510 -9.080 6.912 1.00 0.00 ATOM 149 N ARG 18 -11.499 -7.756 6.483 1.00 0.00 ATOM 150 CA ARG 18 -12.480 -6.810 6.971 1.00 0.00 ATOM 151 CB ARG 18 -13.908 -7.356 6.431 1.00 0.00 ATOM 152 CG ARG 18 -14.199 -7.210 4.949 1.00 0.00 ATOM 153 CD ARG 18 -15.450 -8.019 4.574 1.00 0.00 ATOM 154 NE ARG 18 -16.582 -7.770 5.471 1.00 0.00 ATOM 155 CZ ARG 18 -17.256 -6.625 5.542 1.00 0.00 ATOM 156 NH1 ARG 18 -16.926 -5.604 4.767 1.00 0.00 ATOM 157 NH2 ARG 18 -18.258 -6.495 6.401 1.00 0.00 ATOM 158 O ARG 18 -12.769 -5.447 8.929 1.00 0.00 ATOM 159 C ARG 18 -12.006 -6.151 8.266 1.00 0.00 ATOM 160 N LYS 19 -10.721 -6.302 8.578 1.00 0.00 ATOM 161 CA LYS 19 -10.163 -5.700 9.781 1.00 0.00 ATOM 162 CB LYS 19 -8.979 -6.522 10.293 1.00 0.00 ATOM 163 CG LYS 19 -9.346 -7.918 10.778 1.00 0.00 ATOM 164 CD LYS 19 -8.129 -8.655 11.317 1.00 0.00 ATOM 165 CE LYS 19 -8.476 -10.080 11.720 1.00 0.00 ATOM 166 NZ LYS 19 -7.277 -10.840 12.164 1.00 0.00 ATOM 167 O LYS 19 -10.200 -3.289 9.987 1.00 0.00 ATOM 168 C LYS 19 -9.784 -4.278 9.361 1.00 0.00 ATOM 169 N LYS 20 -8.904 -4.199 8.261 1.00 0.00 ATOM 170 CA LYS 20 -8.463 -2.893 7.802 1.00 0.00 ATOM 171 CB LYS 20 -7.046 -2.975 7.233 1.00 0.00 ATOM 172 CG LYS 20 -6.495 -1.649 6.724 1.00 0.00 ATOM 173 CD LYS 20 -5.044 -1.785 6.285 1.00 0.00 ATOM 174 CE LYS 20 -4.509 -0.476 5.727 1.00 0.00 ATOM 175 NZ LYS 20 -4.563 0.621 6.732 1.00 0.00 ATOM 176 O LYS 20 -9.378 -2.689 5.599 1.00 0.00 ATOM 177 C LYS 20 -9.362 -2.260 6.756 1.00 0.00 ATOM 178 N LYS 21 -10.092 -1.224 7.152 1.00 0.00 ATOM 179 CA LYS 21 -11.019 -0.546 6.250 1.00 0.00 ATOM 180 CB LYS 21 -12.392 -0.396 6.907 1.00 0.00 ATOM 181 CG LYS 21 -13.085 -1.714 7.224 1.00 0.00 ATOM 182 CD LYS 21 -14.467 -1.485 7.815 1.00 0.00 ATOM 183 CE LYS 21 -15.144 -2.801 8.171 1.00 0.00 ATOM 184 NZ LYS 21 -16.495 -2.590 8.759 1.00 0.00 ATOM 185 O LYS 21 -11.492 1.528 5.243 1.00 0.00 ATOM 186 C LYS 21 -10.620 0.833 5.750 1.00 0.00 ATOM 187 N ILE 22 -9.267 1.108 6.115 1.00 0.00 ATOM 188 CA ILE 22 -8.821 2.435 5.682 1.00 0.00 ATOM 189 CB ILE 22 -8.901 3.445 6.839 1.00 0.00 ATOM 190 CG1 ILE 22 -7.997 3.021 8.008 1.00 0.00 ATOM 191 CG2 ILE 22 -10.336 3.635 7.309 1.00 0.00 ATOM 192 CD1 ILE 22 -7.844 4.123 9.044 1.00 0.00 ATOM 193 O ILE 22 -6.606 1.525 5.557 1.00 0.00 ATOM 194 C ILE 22 -7.363 2.452 5.265 1.00 0.00 ATOM 195 N GLU 23 -6.986 3.455 4.572 1.00 0.00 ATOM 196 CA GLU 23 -5.615 3.623 4.122 1.00 0.00 ATOM 197 CB GLU 23 -5.389 2.885 2.800 1.00 0.00 ATOM 198 CG GLU 23 -3.928 2.740 2.403 1.00 0.00 ATOM 199 CD GLU 23 -3.778 1.887 1.174 1.00 0.00 ATOM 200 OE1 GLU 23 -4.285 2.266 0.145 1.00 0.00 ATOM 201 OE2 GLU 23 -3.063 0.916 1.233 1.00 0.00 ATOM 202 O GLU 23 -6.116 5.832 3.386 1.00 0.00 ATOM 203 C GLU 23 -5.321 5.108 3.985 1.00 0.00 ATOM 204 N GLY 24 -4.167 5.547 4.487 1.00 0.00 ATOM 205 CA GLY 24 -3.767 6.946 4.312 1.00 0.00 ATOM 206 O GLY 24 -1.659 6.386 3.344 1.00 0.00 ATOM 207 C GLY 24 -2.623 7.142 3.307 1.00 0.00 ATOM 208 N ARG 25 -2.743 8.158 2.469 1.00 0.00 ATOM 209 CA ARG 25 -1.714 8.474 1.548 1.00 0.00 ATOM 210 CB ARG 25 -2.128 8.203 0.109 1.00 0.00 ATOM 211 CG ARG 25 -2.222 6.731 -0.263 1.00 0.00 ATOM 212 CD ARG 25 -2.714 6.479 -1.641 1.00 0.00 ATOM 213 NE ARG 25 -2.767 5.075 -2.014 1.00 0.00 ATOM 214 CZ ARG 25 -3.268 4.609 -3.175 1.00 0.00 ATOM 215 NH1 ARG 25 -3.794 5.426 -4.061 1.00 0.00 ATOM 216 NH2 ARG 25 -3.239 3.305 -3.390 1.00 0.00 ATOM 217 O ARG 25 -2.050 10.684 2.379 1.00 0.00 ATOM 218 C ARG 25 -1.292 9.913 1.793 1.00 0.00 ATOM 219 N LEU 26 -0.082 10.246 1.382 1.00 0.00 ATOM 220 CA LEU 26 0.407 11.610 1.571 1.00 0.00 ATOM 221 CB LEU 26 1.915 11.676 1.297 1.00 0.00 ATOM 222 CG LEU 26 2.774 10.727 2.145 1.00 0.00 ATOM 223 CD1 LEU 26 4.226 10.797 1.694 1.00 0.00 ATOM 224 CD2 LEU 26 2.646 11.102 3.614 1.00 0.00 ATOM 225 O LEU 26 -0.602 12.211 -0.487 1.00 0.00 ATOM 226 C LEU 26 -0.352 12.541 0.671 1.00 0.00 ATOM 227 N TYR 27 -0.824 13.717 1.245 1.00 0.00 ATOM 228 CA TYR 27 -1.581 14.714 0.491 1.00 0.00 ATOM 229 CB TYR 27 -2.359 15.627 1.441 1.00 0.00 ATOM 230 CG TYR 27 -2.943 16.852 0.774 1.00 0.00 ATOM 231 CD1 TYR 27 -4.078 16.762 -0.017 1.00 0.00 ATOM 232 CD2 TYR 27 -2.356 18.098 0.939 1.00 0.00 ATOM 233 CE1 TYR 27 -4.615 17.877 -0.629 1.00 0.00 ATOM 234 CE2 TYR 27 -2.883 19.222 0.332 1.00 0.00 ATOM 235 CZ TYR 27 -4.014 19.107 -0.451 1.00 0.00 ATOM 236 OH TYR 27 -4.544 20.223 -1.057 1.00 0.00 ATOM 237 O TYR 27 -0.918 15.683 -1.591 1.00 0.00 ATOM 238 C TYR 27 -0.668 15.548 -0.399 1.00 0.00 ATOM 239 N ASP 28 0.378 16.110 0.206 1.00 0.00 ATOM 240 CA ASP 28 1.324 16.949 -0.544 1.00 0.00 ATOM 241 CB ASP 28 2.350 17.578 0.402 1.00 0.00 ATOM 242 CG ASP 28 1.841 18.797 1.162 1.00 0.00 ATOM 243 OD1 ASP 28 0.803 19.303 0.806 1.00 0.00 ATOM 244 OD2 ASP 28 2.407 19.115 2.181 1.00 0.00 ATOM 245 O ASP 28 2.160 16.469 -2.781 1.00 0.00 ATOM 246 C ASP 28 2.001 16.089 -1.612 1.00 0.00 ATOM 247 N GLU 29 2.391 14.884 -1.238 1.00 0.00 ATOM 248 CA GLU 29 3.116 14.004 -2.134 1.00 0.00 ATOM 249 CB GLU 29 4.148 13.182 -1.358 1.00 0.00 ATOM 250 CG GLU 29 5.146 12.439 -2.233 1.00 0.00 ATOM 251 CD GLU 29 5.944 13.391 -3.081 1.00 0.00 ATOM 252 OE1 GLU 29 6.489 14.323 -2.542 1.00 0.00 ATOM 253 OE2 GLU 29 6.102 13.125 -4.250 1.00 0.00 ATOM 254 O GLU 29 2.601 12.765 -4.079 1.00 0.00 ATOM 255 C GLU 29 2.247 13.049 -2.921 1.00 0.00 ATOM 256 N LYS 30 1.183 12.498 -2.303 1.00 0.00 ATOM 257 CA LYS 30 0.550 11.341 -2.932 1.00 0.00 ATOM 258 CB LYS 30 0.228 10.271 -1.887 1.00 0.00 ATOM 259 CG LYS 30 -0.187 8.927 -2.470 1.00 0.00 ATOM 260 CD LYS 30 0.886 8.367 -3.389 1.00 0.00 ATOM 261 CE LYS 30 0.514 6.981 -3.896 1.00 0.00 ATOM 262 NZ LYS 30 1.563 6.413 -4.785 1.00 0.00 ATOM 263 O LYS 30 -1.199 10.736 -4.469 1.00 0.00 ATOM 264 C LYS 30 -0.717 11.589 -3.706 1.00 0.00 ATOM 265 N ARG 31 -1.371 12.725 -3.545 1.00 0.00 ATOM 266 CA ARG 31 -2.622 12.982 -4.271 1.00 0.00 ATOM 267 CB ARG 31 -2.374 13.378 -5.719 1.00 0.00 ATOM 268 CG ARG 31 -1.681 14.718 -5.907 1.00 0.00 ATOM 269 CD ARG 31 -1.437 15.088 -7.325 1.00 0.00 ATOM 270 NE ARG 31 -0.765 16.365 -7.507 1.00 0.00 ATOM 271 CZ ARG 31 -0.371 16.859 -8.697 1.00 0.00 ATOM 272 NH1 ARG 31 -0.547 16.176 -9.806 1.00 0.00 ATOM 273 NH2 ARG 31 0.219 18.042 -8.717 1.00 0.00 ATOM 274 O ARG 31 -4.001 11.440 -5.488 1.00 0.00 ATOM 275 C ARG 31 -3.880 12.162 -4.495 1.00 0.00 ATOM 276 N ARG 32 -4.964 12.263 -3.516 1.00 0.00 ATOM 277 CA ARG 32 -6.210 11.541 -3.666 1.00 0.00 ATOM 278 CB ARG 32 -6.093 10.094 -3.211 1.00 0.00 ATOM 279 CG ARG 32 -7.186 9.170 -3.728 1.00 0.00 ATOM 280 CD ARG 32 -7.102 8.878 -5.182 1.00 0.00 ATOM 281 NE ARG 32 -5.910 8.147 -5.582 1.00 0.00 ATOM 282 CZ ARG 32 -5.525 7.951 -6.858 1.00 0.00 ATOM 283 NH1 ARG 32 -6.250 8.397 -7.860 1.00 0.00 ATOM 284 NH2 ARG 32 -4.409 7.279 -7.077 1.00 0.00 ATOM 285 O ARG 32 -7.262 12.816 -1.911 1.00 0.00 ATOM 286 C ARG 32 -7.402 12.208 -2.976 1.00 0.00 ATOM 287 N GLN 33 -8.578 12.060 -3.580 1.00 0.00 ATOM 288 CA GLN 33 -9.803 12.654 -3.070 1.00 0.00 ATOM 289 CB GLN 33 -10.497 13.471 -4.162 1.00 0.00 ATOM 290 CG GLN 33 -9.641 14.585 -4.740 1.00 0.00 ATOM 291 CD GLN 33 -9.295 15.648 -3.717 1.00 0.00 ATOM 292 OE1 GLN 33 -10.169 16.168 -3.026 1.00 0.00 ATOM 293 NE2 GLN 33 -8.012 15.974 -3.615 1.00 0.00 ATOM 294 O GLN 33 -10.598 10.398 -2.862 1.00 0.00 ATOM 295 C GLN 33 -10.777 11.589 -2.589 1.00 0.00 ATOM 296 N ILE 34 -11.697 12.005 -1.720 1.00 0.00 ATOM 297 CA ILE 34 -12.735 11.124 -1.199 1.00 0.00 ATOM 298 CB ILE 34 -13.590 11.881 -0.163 1.00 0.00 ATOM 299 CG1 ILE 34 -14.606 10.930 0.474 1.00 0.00 ATOM 300 CG2 ILE 34 -14.305 13.058 -0.807 1.00 0.00 ATOM 301 CD1 ILE 34 -15.251 11.490 1.744 1.00 0.00 ATOM 302 O ILE 34 -13.255 8.779 -1.382 1.00 0.00 ATOM 303 C ILE 34 -13.585 9.937 -1.658 1.00 0.00 ATOM 304 N LYS 35 -14.805 10.109 -2.339 1.00 0.00 ATOM 305 CA LYS 35 -15.683 9.018 -2.797 1.00 0.00 ATOM 306 CB LYS 35 -17.067 9.559 -3.158 1.00 0.00 ATOM 307 CG LYS 35 -17.872 10.068 -1.969 1.00 0.00 ATOM 308 CD LYS 35 -19.247 10.558 -2.401 1.00 0.00 ATOM 309 CE LYS 35 -20.020 11.144 -1.229 1.00 0.00 ATOM 310 NZ LYS 35 -21.414 11.501 -1.606 1.00 0.00 ATOM 311 O LYS 35 -15.639 7.597 -4.676 1.00 0.00 ATOM 312 C LYS 35 -14.996 8.363 -3.976 1.00 0.00 ATOM 313 N PRO 36 -13.677 8.493 -4.120 1.00 0.00 ATOM 314 CA PRO 36 -13.028 7.873 -5.277 1.00 0.00 ATOM 315 CB PRO 36 -12.151 8.436 -5.957 1.00 0.00 ATOM 316 CG PRO 36 -11.895 9.780 -5.342 1.00 0.00 ATOM 317 CD PRO 36 -13.271 10.172 -4.866 1.00 0.00 ATOM 318 O PRO 36 -12.566 5.941 -3.928 1.00 0.00 ATOM 319 C PRO 36 -12.693 6.404 -5.064 1.00 0.00 ATOM 320 N GLY 37 -12.450 5.701 -6.164 1.00 0.00 ATOM 321 CA GLY 37 -12.132 4.285 -6.113 1.00 0.00 ATOM 322 O GLY 37 -9.949 4.754 -6.972 1.00 0.00 ATOM 323 C GLY 37 -10.695 3.944 -6.427 1.00 0.00 ATOM 324 N ASP 38 -10.292 2.663 -6.059 1.00 0.00 ATOM 325 CA ASP 38 -8.942 2.200 -6.320 1.00 0.00 ATOM 326 CB ASP 38 -7.993 2.661 -5.211 1.00 0.00 ATOM 327 CG ASP 38 -6.515 2.512 -5.546 1.00 0.00 ATOM 328 OD1 ASP 38 -6.212 2.160 -6.661 1.00 0.00 ATOM 329 OD2 ASP 38 -5.703 2.902 -4.742 1.00 0.00 ATOM 330 O ASP 38 -9.733 0.033 -5.742 1.00 0.00 ATOM 331 C ASP 38 -8.969 0.692 -6.438 1.00 0.00 ATOM 332 N VAL 39 -8.157 0.146 -7.331 1.00 0.00 ATOM 333 CA VAL 39 -8.081 -1.293 -7.515 1.00 0.00 ATOM 334 CB VAL 39 -8.090 -1.674 -9.008 1.00 0.00 ATOM 335 CG1 VAL 39 -7.958 -3.180 -9.174 1.00 0.00 ATOM 336 CG2 VAL 39 -9.360 -1.174 -9.678 1.00 0.00 ATOM 337 O VAL 39 -5.712 -1.243 -7.053 1.00 0.00 ATOM 338 C VAL 39 -6.799 -1.789 -6.832 1.00 0.00 ATOM 339 N ILE 40 -6.949 -2.794 -5.964 1.00 0.00 ATOM 340 CA ILE 40 -5.829 -3.345 -5.204 1.00 0.00 ATOM 341 CB ILE 40 -6.225 -3.631 -3.743 1.00 0.00 ATOM 342 CG1 ILE 40 -6.626 -2.334 -3.035 1.00 0.00 ATOM 343 CG2 ILE 40 -5.082 -4.312 -3.007 1.00 0.00 ATOM 344 CD1 ILE 40 -7.266 -2.550 -1.682 1.00 0.00 ATOM 345 O ILE 40 -6.034 -5.518 -6.176 1.00 0.00 ATOM 346 C ILE 40 -5.276 -4.628 -5.801 1.00 0.00 ATOM 347 N SER 41 -3.948 -4.696 -5.868 1.00 0.00 ATOM 348 CA SER 41 -3.206 -5.828 -6.421 1.00 0.00 ATOM 349 CB SER 41 -2.405 -5.388 -7.630 1.00 0.00 ATOM 350 OG SER 41 -1.426 -4.441 -7.297 1.00 0.00 ATOM 351 O SER 41 -2.071 -5.702 -4.331 1.00 0.00 ATOM 352 C SER 41 -2.323 -6.385 -5.319 1.00 0.00 ATOM 353 N PHE 42 -1.862 -7.623 -5.474 1.00 0.00 ATOM 354 CA PHE 42 -0.986 -8.220 -4.468 1.00 0.00 ATOM 355 CB PHE 42 -1.251 -9.722 -4.353 1.00 0.00 ATOM 356 CG PHE 42 -0.485 -10.389 -3.246 1.00 0.00 ATOM 357 CD1 PHE 42 -0.879 -10.243 -1.924 1.00 0.00 ATOM 358 CD2 PHE 42 0.631 -11.164 -3.524 1.00 0.00 ATOM 359 CE1 PHE 42 -0.176 -10.856 -0.905 1.00 0.00 ATOM 360 CE2 PHE 42 1.335 -11.778 -2.506 1.00 0.00 ATOM 361 CZ PHE 42 0.931 -11.624 -1.196 1.00 0.00 ATOM 362 O PHE 42 0.794 -7.331 -5.816 1.00 0.00 ATOM 363 C PHE 42 0.476 -7.964 -4.807 1.00 0.00 ATOM 364 N GLU 43 1.423 -8.422 -3.897 1.00 0.00 ATOM 365 CA GLU 43 2.836 -8.200 -4.120 1.00 0.00 ATOM 366 CB GLU 43 3.665 -8.908 -3.046 1.00 0.00 ATOM 367 CG GLU 43 3.569 -8.274 -1.669 1.00 0.00 ATOM 368 CD GLU 43 4.330 -9.054 -0.614 1.00 0.00 ATOM 369 OE1 GLU 43 4.860 -10.137 -0.943 1.00 0.00 ATOM 370 OE2 GLU 43 4.396 -8.583 0.541 1.00 0.00 ATOM 371 O GLU 43 4.137 -8.069 -6.099 1.00 0.00 ATOM 372 C GLU 43 3.232 -8.644 -5.518 1.00 0.00 ATOM 373 N GLY 44 2.515 -9.656 -6.056 1.00 0.00 ATOM 374 CA GLY 44 2.761 -10.137 -7.403 1.00 0.00 ATOM 375 O GLY 44 2.227 -9.632 -9.652 1.00 0.00 ATOM 376 C GLY 44 2.047 -9.352 -8.482 1.00 0.00 ATOM 377 N GLY 45 1.280 -8.271 -8.082 1.00 0.00 ATOM 378 CA GLY 45 0.662 -7.383 -9.054 1.00 0.00 ATOM 379 O GLY 45 -1.025 -7.626 -10.724 1.00 0.00 ATOM 380 C GLY 45 -0.618 -7.966 -9.583 1.00 0.00 ATOM 381 N LYS 46 -1.313 -8.889 -8.810 1.00 0.00 ATOM 382 CA LYS 46 -2.537 -9.498 -9.249 1.00 0.00 ATOM 383 CB LYS 46 -2.503 -11.008 -9.005 1.00 0.00 ATOM 384 CG LYS 46 -3.742 -11.752 -9.486 1.00 0.00 ATOM 385 CD LYS 46 -3.654 -13.237 -9.167 1.00 0.00 ATOM 386 CE LYS 46 -4.906 -13.975 -9.617 1.00 0.00 ATOM 387 NZ LYS 46 -4.826 -15.433 -9.330 1.00 0.00 ATOM 388 O LYS 46 -3.688 -8.724 -7.279 1.00 0.00 ATOM 389 C LYS 46 -3.699 -8.831 -8.506 1.00 0.00 ATOM 390 N LEU 47 -4.775 -8.424 -9.324 1.00 0.00 ATOM 391 CA LEU 47 -5.976 -7.832 -8.735 1.00 0.00 ATOM 392 CB LEU 47 -7.084 -7.719 -9.790 1.00 0.00 ATOM 393 CG LEU 47 -7.068 -6.428 -10.618 1.00 0.00 ATOM 394 CD1 LEU 47 -5.701 -6.232 -11.257 1.00 0.00 ATOM 395 CD2 LEU 47 -8.157 -6.491 -11.680 1.00 0.00 ATOM 396 O LEU 47 -7.090 -9.640 -7.636 1.00 0.00 ATOM 397 C LEU 47 -6.608 -8.509 -7.527 1.00 0.00 ATOM 398 N LYS 48 -6.617 -7.830 -6.396 1.00 0.00 ATOM 399 CA LYS 48 -7.244 -8.374 -5.202 1.00 0.00 ATOM 400 CB LYS 48 -6.446 -7.987 -3.955 1.00 0.00 ATOM 401 CG LYS 48 -5.016 -8.511 -3.936 1.00 0.00 ATOM 402 CD LYS 48 -4.939 -9.891 -3.299 1.00 0.00 ATOM 403 CE LYS 48 -5.003 -10.990 -4.350 1.00 0.00 ATOM 404 NZ LYS 48 -4.784 -12.338 -3.759 1.00 0.00 ATOM 405 O LYS 48 -9.578 -8.806 -4.873 1.00 0.00 ATOM 406 C LYS 48 -8.695 -7.919 -5.033 1.00 0.00 ATOM 407 N VAL 49 -8.956 -6.546 -5.108 1.00 0.00 ATOM 408 CA VAL 49 -10.311 -6.038 -4.968 1.00 0.00 ATOM 409 CB VAL 49 -10.792 -5.953 -3.469 1.00 0.00 ATOM 410 CG1 VAL 49 -10.827 -7.340 -2.855 1.00 0.00 ATOM 411 CG2 VAL 49 -9.869 -5.043 -2.666 1.00 0.00 ATOM 412 O VAL 49 -9.432 -3.979 -5.811 1.00 0.00 ATOM 413 C VAL 49 -10.419 -4.604 -5.426 1.00 0.00 ATOM 414 N ARG 50 -11.644 -4.096 -5.388 1.00 0.00 ATOM 415 CA ARG 50 -11.911 -2.710 -5.715 1.00 0.00 ATOM 416 CB ARG 50 -12.790 -2.571 -6.948 1.00 0.00 ATOM 417 CG ARG 50 -13.041 -1.139 -7.396 1.00 0.00 ATOM 418 CD ARG 50 -13.837 -1.019 -8.645 1.00 0.00 ATOM 419 NE ARG 50 -13.133 -1.426 -9.850 1.00 0.00 ATOM 420 CZ ARG 50 -13.725 -1.670 -11.036 1.00 0.00 ATOM 421 NH1 ARG 50 -15.029 -1.588 -11.171 1.00 0.00 ATOM 422 NH2 ARG 50 -12.959 -2.020 -12.055 1.00 0.00 ATOM 423 O ARG 50 -13.146 -2.879 -3.674 1.00 0.00 ATOM 424 C ARG 50 -12.482 -2.158 -4.422 1.00 0.00 ATOM 425 N VAL 51 -12.176 -0.914 -4.103 1.00 0.00 ATOM 426 CA VAL 51 -12.671 -0.308 -2.877 1.00 0.00 ATOM 427 CB VAL 51 -11.542 -0.115 -1.847 1.00 0.00 ATOM 428 CG1 VAL 51 -10.843 -1.437 -1.569 1.00 0.00 ATOM 429 CG2 VAL 51 -10.543 0.922 -2.340 1.00 0.00 ATOM 430 O VAL 51 -13.053 1.609 -4.249 1.00 0.00 ATOM 431 C VAL 51 -13.314 1.024 -3.203 1.00 0.00 ATOM 432 N LYS 52 -14.236 1.447 -2.352 1.00 0.00 ATOM 433 CA LYS 52 -14.883 2.729 -2.535 1.00 0.00 ATOM 434 CB LYS 52 -16.402 2.557 -2.601 1.00 0.00 ATOM 435 CG LYS 52 -17.161 3.846 -2.880 1.00 0.00 ATOM 436 CD LYS 52 -18.659 3.601 -2.939 1.00 0.00 ATOM 437 CE LYS 52 -19.415 4.884 -3.249 1.00 0.00 ATOM 438 NZ LYS 52 -20.869 4.636 -3.450 1.00 0.00 ATOM 439 O LYS 52 -14.546 3.112 -0.194 1.00 0.00 ATOM 440 C LYS 52 -14.489 3.574 -1.335 1.00 0.00 ATOM 441 N ALA 53 -14.057 4.803 -1.604 1.00 0.00 ATOM 442 CA ALA 53 -13.630 5.720 -0.551 1.00 0.00 ATOM 443 CB ALA 53 -12.641 6.729 -1.106 1.00 0.00 ATOM 444 O ALA 53 -15.761 6.805 -0.682 1.00 0.00 ATOM 445 C ALA 53 -14.894 6.320 0.049 1.00 0.00 ATOM 446 N ILE 54 -14.986 6.273 1.385 1.00 0.00 ATOM 447 CA ILE 54 -16.154 6.827 2.055 1.00 0.00 ATOM 448 CB ILE 54 -16.617 5.930 3.218 1.00 0.00 ATOM 449 CG1 ILE 54 -16.934 4.520 2.710 1.00 0.00 ATOM 450 CG2 ILE 54 -17.831 6.536 3.906 1.00 0.00 ATOM 451 CD1 ILE 54 -18.005 4.481 1.645 1.00 0.00 ATOM 452 O ILE 54 -16.663 9.152 2.416 1.00 0.00 ATOM 453 C ILE 54 -15.873 8.228 2.590 1.00 0.00 ATOM 454 N ARG 55 -14.579 8.307 3.322 1.00 0.00 ATOM 455 CA ARG 55 -14.166 9.588 3.891 1.00 0.00 ATOM 456 CB ARG 55 -14.551 9.715 5.358 1.00 0.00 ATOM 457 CG ARG 55 -16.046 9.671 5.632 1.00 0.00 ATOM 458 CD ARG 55 -16.790 10.869 5.164 1.00 0.00 ATOM 459 NE ARG 55 -18.200 10.880 5.520 1.00 0.00 ATOM 460 CZ ARG 55 -19.179 10.321 4.782 1.00 0.00 ATOM 461 NH1 ARG 55 -18.914 9.740 3.632 1.00 0.00 ATOM 462 NH2 ARG 55 -20.419 10.393 5.234 1.00 0.00 ATOM 463 O ARG 55 -11.855 8.974 3.692 1.00 0.00 ATOM 464 C ARG 55 -12.679 9.890 3.716 1.00 0.00 ATOM 465 N VAL 56 -12.353 11.184 3.594 1.00 0.00 ATOM 466 CA VAL 56 -10.961 11.604 3.434 1.00 0.00 ATOM 467 CB VAL 56 -10.689 12.127 2.011 1.00 0.00 ATOM 468 CG1 VAL 56 -11.490 13.393 1.746 1.00 0.00 ATOM 469 CG2 VAL 56 -9.202 12.387 1.814 1.00 0.00 ATOM 470 O VAL 56 -11.185 13.775 4.438 1.00 0.00 ATOM 471 C VAL 56 -10.608 12.685 4.447 1.00 0.00 ATOM 472 N TYR 57 -9.615 12.400 5.263 1.00 0.00 ATOM 473 CA TYR 57 -9.199 13.331 6.299 1.00 0.00 ATOM 474 CB TYR 57 -9.582 12.799 7.682 1.00 0.00 ATOM 475 CG TYR 57 -11.073 12.651 7.890 1.00 0.00 ATOM 476 CD1 TYR 57 -11.718 11.459 7.599 1.00 0.00 ATOM 477 CD2 TYR 57 -11.829 13.705 8.381 1.00 0.00 ATOM 478 CE1 TYR 57 -13.080 11.319 7.787 1.00 0.00 ATOM 479 CE2 TYR 57 -13.191 13.577 8.574 1.00 0.00 ATOM 480 CZ TYR 57 -13.813 12.381 8.276 1.00 0.00 ATOM 481 OH TYR 57 -15.169 12.248 8.468 1.00 0.00 ATOM 482 O TYR 57 -6.913 12.673 6.080 1.00 0.00 ATOM 483 C TYR 57 -7.708 13.608 6.260 1.00 0.00 ATOM 484 N ASN 58 -7.328 14.879 6.191 1.00 0.00 ATOM 485 CA ASN 58 -5.902 15.236 6.172 1.00 0.00 ATOM 486 CB ASN 58 -5.685 16.623 5.595 1.00 0.00 ATOM 487 CG ASN 58 -5.964 16.716 4.121 1.00 0.00 ATOM 488 ND2 ASN 58 -6.208 17.918 3.666 1.00 0.00 ATOM 489 OD1 ASN 58 -5.886 15.721 3.390 1.00 0.00 ATOM 490 O ASN 58 -6.031 15.514 8.551 1.00 0.00 ATOM 491 C ASN 58 -5.360 15.123 7.593 1.00 0.00 ATOM 492 N SER 59 -4.185 14.521 7.735 1.00 0.00 ATOM 493 CA SER 59 -3.567 14.343 9.047 1.00 0.00 ATOM 494 CB SER 59 -3.812 12.924 9.469 1.00 0.00 ATOM 495 OG SER 59 -3.671 11.982 8.413 1.00 0.00 ATOM 496 O SER 59 -1.672 13.573 8.127 1.00 0.00 ATOM 497 C SER 59 -2.043 14.340 9.020 1.00 0.00 ATOM 498 N PHE 60 -1.156 14.100 10.085 1.00 0.00 ATOM 499 CA PHE 60 -0.463 12.917 10.576 1.00 0.00 ATOM 500 CB PHE 60 1.023 12.983 10.222 1.00 0.00 ATOM 501 CG PHE 60 1.758 11.692 10.447 1.00 0.00 ATOM 502 CD1 PHE 60 1.416 10.550 9.739 1.00 0.00 ATOM 503 CD2 PHE 60 2.792 11.618 11.369 1.00 0.00 ATOM 504 CE1 PHE 60 2.091 9.362 9.946 1.00 0.00 ATOM 505 CE2 PHE 60 3.469 10.431 11.576 1.00 0.00 ATOM 506 CZ PHE 60 3.118 9.302 10.864 1.00 0.00 ATOM 507 O PHE 60 -1.099 11.722 12.558 1.00 0.00 ATOM 508 C PHE 60 -0.633 12.756 12.082 1.00 0.00 ATOM 509 N ARG 61 -0.422 13.859 12.791 1.00 0.00 ATOM 510 CA ARG 61 -0.551 13.874 14.248 1.00 0.00 ATOM 511 CB ARG 61 0.089 15.107 14.869 1.00 0.00 ATOM 512 CG ARG 61 1.608 15.129 14.828 1.00 0.00 ATOM 513 CD ARG 61 2.218 16.371 15.368 1.00 0.00 ATOM 514 NE ARG 61 3.671 16.397 15.325 1.00 0.00 ATOM 515 CZ ARG 61 4.428 17.453 15.684 1.00 0.00 ATOM 516 NH1 ARG 61 3.876 18.581 16.074 1.00 0.00 ATOM 517 NH2 ARG 61 5.742 17.333 15.609 1.00 0.00 ATOM 518 O ARG 61 -2.414 12.902 15.440 1.00 0.00 ATOM 519 C ARG 61 -2.051 13.721 14.589 1.00 0.00 ATOM 520 N GLU 62 -2.890 14.362 13.808 1.00 0.00 ATOM 521 CA GLU 62 -4.328 14.221 14.022 1.00 0.00 ATOM 522 CB GLU 62 -5.098 15.233 13.170 1.00 0.00 ATOM 523 CG GLU 62 -4.947 16.679 13.622 1.00 0.00 ATOM 524 CD GLU 62 -5.625 17.622 12.668 1.00 0.00 ATOM 525 OE1 GLU 62 -6.123 17.168 11.666 1.00 0.00 ATOM 526 OE2 GLU 62 -5.744 18.781 12.994 1.00 0.00 ATOM 527 O GLU 62 -5.640 12.238 14.412 1.00 0.00 ATOM 528 C GLU 62 -4.793 12.778 13.697 1.00 0.00 ATOM 529 N MET 63 -4.278 12.185 12.602 1.00 0.00 ATOM 530 CA MET 63 -4.634 10.826 12.245 1.00 0.00 ATOM 531 CB MET 63 -4.000 10.447 10.908 1.00 0.00 ATOM 532 CG MET 63 -4.106 8.969 10.557 1.00 0.00 ATOM 533 SD MET 63 -3.339 8.574 8.974 1.00 0.00 ATOM 534 CE MET 63 -1.604 8.706 9.396 1.00 0.00 ATOM 535 O MET 63 -4.936 8.914 13.670 1.00 0.00 ATOM 536 C MET 63 -4.203 9.846 13.337 1.00 0.00 ATOM 537 N LEU 64 -3.011 10.084 13.915 1.00 0.00 ATOM 538 CA LEU 64 -2.497 9.221 14.973 1.00 0.00 ATOM 539 CB LEU 64 -1.036 9.572 15.281 1.00 0.00 ATOM 540 CG LEU 64 0.003 8.891 14.381 1.00 0.00 ATOM 541 CD1 LEU 64 -0.659 8.398 13.101 1.00 0.00 ATOM 542 CD2 LEU 64 1.123 9.870 14.066 1.00 0.00 ATOM 543 O LEU 64 -3.704 8.371 16.851 1.00 0.00 ATOM 544 C LEU 64 -3.373 9.358 16.222 1.00 0.00 ATOM 545 N GLU 65 -3.897 10.539 16.474 1.00 0.00 ATOM 546 CA GLU 65 -4.790 10.756 17.599 1.00 0.00 ATOM 547 CB GLU 65 -5.093 12.246 17.763 1.00 0.00 ATOM 548 CG GLU 65 -3.917 13.077 18.256 1.00 0.00 ATOM 549 CD GLU 65 -4.252 14.543 18.272 1.00 0.00 ATOM 550 OE1 GLU 65 -5.329 14.892 17.852 1.00 0.00 ATOM 551 OE2 GLU 65 -3.478 15.302 18.807 1.00 0.00 ATOM 552 O GLU 65 -6.512 9.320 18.441 1.00 0.00 ATOM 553 C GLU 65 -6.114 9.998 17.495 1.00 0.00 ATOM 554 N LYS 66 -6.805 10.124 16.362 1.00 0.00 ATOM 555 CA LYS 66 -8.084 9.445 16.176 1.00 0.00 ATOM 556 CB LYS 66 -8.731 9.871 14.857 1.00 0.00 ATOM 557 CG LYS 66 -9.240 11.307 14.841 1.00 0.00 ATOM 558 CD LYS 66 -9.869 11.656 13.501 1.00 0.00 ATOM 559 CE LYS 66 -10.359 13.097 13.476 1.00 0.00 ATOM 560 NZ LYS 66 -10.949 13.463 12.161 1.00 0.00 ATOM 561 O LYS 66 -8.683 7.323 16.991 1.00 0.00 ATOM 562 C LYS 66 -7.950 7.936 16.205 1.00 0.00 ATOM 563 N GLU 67 -6.897 7.363 15.645 1.00 0.00 ATOM 564 CA GLU 67 -6.733 5.909 15.662 1.00 0.00 ATOM 565 CB GLU 67 -5.631 5.484 14.690 1.00 0.00 ATOM 566 CG GLU 67 -5.974 5.690 13.221 1.00 0.00 ATOM 567 CD GLU 67 -4.810 5.347 12.334 1.00 0.00 ATOM 568 OE1 GLU 67 -3.777 4.991 12.851 1.00 0.00 ATOM 569 OE2 GLU 67 -4.983 5.332 11.138 1.00 0.00 ATOM 570 O GLU 67 -6.263 4.199 17.279 1.00 0.00 ATOM 571 C GLU 67 -6.414 5.405 17.070 1.00 0.00 ATOM 572 N GLY 68 -6.118 6.340 17.968 1.00 0.00 ATOM 573 CA GLY 68 -5.763 5.985 19.329 1.00 0.00 ATOM 574 O GLY 68 -4.103 5.035 20.677 1.00 0.00 ATOM 575 C GLY 68 -4.340 5.632 19.630 1.00 0.00 ATOM 576 N LEU 69 -3.383 5.947 18.727 1.00 0.00 ATOM 577 CA LEU 69 -1.979 5.614 18.968 1.00 0.00 ATOM 578 CB LEU 69 -1.135 5.951 17.732 1.00 0.00 ATOM 579 CG LEU 69 -1.394 5.070 16.504 1.00 0.00 ATOM 580 CD1 LEU 69 -0.625 5.607 15.304 1.00 0.00 ATOM 581 CD2 LEU 69 -0.985 3.637 16.810 1.00 0.00 ATOM 582 O LEU 69 -0.591 5.801 20.906 1.00 0.00 ATOM 583 C LEU 69 -1.436 6.340 20.188 1.00 0.00 ATOM 584 N GLU 70 -1.945 7.527 20.419 1.00 0.00 ATOM 585 CA GLU 70 -1.509 8.280 21.587 1.00 0.00 ATOM 586 CB GLU 70 -2.101 9.691 21.566 1.00 0.00 ATOM 587 CG GLU 70 -1.658 10.576 22.723 1.00 0.00 ATOM 588 CD GLU 70 -2.251 11.953 22.615 1.00 0.00 ATOM 589 OE1 GLU 70 -2.967 12.199 21.675 1.00 0.00 ATOM 590 OE2 GLU 70 -2.080 12.725 23.530 1.00 0.00 ATOM 591 O GLU 70 -1.110 7.347 23.729 1.00 0.00 ATOM 592 C GLU 70 -1.924 7.519 22.823 1.00 0.00 ATOM 593 N ASN 71 -3.117 7.082 22.974 1.00 0.00 ATOM 594 CA ASN 71 -3.515 6.306 24.163 1.00 0.00 ATOM 595 CB ASN 71 -5.011 6.052 24.186 1.00 0.00 ATOM 596 CG ASN 71 -5.827 7.273 24.514 1.00 0.00 ATOM 597 ND2 ASN 71 -7.101 7.194 24.228 1.00 0.00 ATOM 598 OD1 ASN 71 -5.322 8.245 25.087 1.00 0.00 ATOM 599 O ASN 71 -2.161 4.636 25.297 1.00 0.00 ATOM 600 C ASN 71 -2.742 4.962 24.239 1.00 0.00 ATOM 601 N VAL 72 -2.612 4.275 23.120 1.00 0.00 ATOM 602 CA VAL 72 -1.877 3.014 23.059 1.00 0.00 ATOM 603 CB VAL 72 -2.826 1.785 22.981 1.00 0.00 ATOM 604 CG1 VAL 72 -2.015 0.494 22.959 1.00 0.00 ATOM 605 CG2 VAL 72 -3.801 1.781 24.149 1.00 0.00 ATOM 606 O VAL 72 -1.552 3.286 20.706 1.00 0.00 ATOM 607 C VAL 72 -1.020 3.054 21.790 1.00 0.00 ATOM 608 N LEU 73 0.297 3.118 21.956 1.00 0.00 ATOM 609 CA LEU 73 1.209 3.176 20.816 1.00 0.00 ATOM 610 CB LEU 73 2.391 4.096 21.139 1.00 0.00 ATOM 611 CG LEU 73 2.178 5.599 21.043 1.00 0.00 ATOM 612 CD1 LEU 73 3.442 6.288 21.482 1.00 0.00 ATOM 613 CD2 LEU 73 1.833 5.989 19.603 1.00 0.00 ATOM 614 O LEU 73 2.060 0.995 21.359 1.00 0.00 ATOM 615 C LEU 73 1.775 1.798 20.470 1.00 0.00 ATOM 616 N PRO 74 1.587 1.958 18.370 1.00 0.00 ATOM 617 CA PRO 74 2.885 1.455 17.926 1.00 0.00 ATOM 618 CB PRO 74 2.909 0.055 18.416 1.00 0.00 ATOM 619 CG PRO 74 1.487 -0.374 18.377 1.00 0.00 ATOM 620 CD PRO 74 0.633 0.851 18.563 1.00 0.00 ATOM 621 O PRO 74 4.069 1.427 15.827 1.00 0.00 ATOM 622 C PRO 74 2.976 1.350 16.390 1.00 0.00 ATOM 623 N GLY 75 1.827 1.459 15.726 1.00 0.00 ATOM 624 CA GLY 75 1.749 1.388 14.267 1.00 0.00 ATOM 625 O GLY 75 2.688 2.710 12.488 1.00 0.00 ATOM 626 C GLY 75 2.305 2.677 13.657 1.00 0.00 ATOM 627 N VAL 76 2.261 3.746 14.457 1.00 0.00 ATOM 628 CA VAL 76 2.736 5.057 14.018 1.00 0.00 ATOM 629 CB VAL 76 2.713 6.114 15.040 1.00 0.00 ATOM 630 CG1 VAL 76 3.582 5.792 16.258 1.00 0.00 ATOM 631 CG2 VAL 76 3.123 7.434 14.414 1.00 0.00 ATOM 632 O VAL 76 4.761 5.492 12.796 1.00 0.00 ATOM 633 C VAL 76 4.239 4.931 13.760 1.00 0.00 ATOM 634 N LYS 77 4.927 4.108 14.653 1.00 0.00 ATOM 635 CA LYS 77 6.358 3.855 14.488 1.00 0.00 ATOM 636 CB LYS 77 6.863 2.907 15.577 1.00 0.00 ATOM 637 CG LYS 77 6.897 3.515 16.974 1.00 0.00 ATOM 638 CD LYS 77 7.420 2.518 17.997 1.00 0.00 ATOM 639 CE LYS 77 7.439 3.118 19.396 1.00 0.00 ATOM 640 NZ LYS 77 7.921 2.145 20.413 1.00 0.00 ATOM 641 O LYS 77 7.440 3.822 12.346 1.00 0.00 ATOM 642 C LYS 77 6.639 3.279 13.103 1.00 0.00 ATOM 643 N SER 78 5.909 2.232 12.748 1.00 0.00 ATOM 644 CA SER 78 6.081 1.572 11.463 1.00 0.00 ATOM 645 CB SER 78 5.179 0.339 11.367 1.00 0.00 ATOM 646 OG SER 78 5.572 -0.652 12.300 1.00 0.00 ATOM 647 O SER 78 6.481 2.529 9.301 1.00 0.00 ATOM 648 C SER 78 5.737 2.479 10.279 1.00 0.00 ATOM 649 N ILE 79 4.622 3.203 10.360 1.00 0.00 ATOM 650 CA ILE 79 4.248 4.086 9.262 1.00 0.00 ATOM 651 CB ILE 79 2.851 4.699 9.479 1.00 0.00 ATOM 652 CG1 ILE 79 1.775 3.614 9.381 1.00 0.00 ATOM 653 CG2 ILE 79 2.565 5.758 8.427 1.00 0.00 ATOM 654 CD1 ILE 79 0.407 4.072 9.837 1.00 0.00 ATOM 655 O ILE 79 5.544 5.585 7.946 1.00 0.00 ATOM 656 C ILE 79 5.261 5.169 9.088 1.00 0.00 ATOM 657 N GLU 80 5.680 5.719 10.158 1.00 0.00 ATOM 658 CA GLU 80 6.672 6.767 10.102 1.00 0.00 ATOM 659 CB GLU 80 7.011 7.259 11.511 1.00 0.00 ATOM 660 CG GLU 80 8.007 8.409 11.553 1.00 0.00 ATOM 661 CD GLU 80 8.247 8.874 12.962 1.00 0.00 ATOM 662 OE1 GLU 80 7.644 8.332 13.857 1.00 0.00 ATOM 663 OE2 GLU 80 9.114 9.693 13.157 1.00 0.00 ATOM 664 O GLU 80 8.427 6.973 8.492 1.00 0.00 ATOM 665 C GLU 80 7.938 6.296 9.393 1.00 0.00 ATOM 666 N GLU 81 8.348 5.080 9.672 1.00 0.00 ATOM 667 CA GLU 81 9.540 4.536 9.033 1.00 0.00 ATOM 668 CB GLU 81 9.981 3.247 9.731 1.00 0.00 ATOM 669 CG GLU 81 10.548 3.451 11.129 1.00 0.00 ATOM 670 CD GLU 81 10.836 2.136 11.798 1.00 0.00 ATOM 671 OE1 GLU 81 10.537 1.118 11.220 1.00 0.00 ATOM 672 OE2 GLU 81 11.456 2.145 12.835 1.00 0.00 ATOM 673 O GLU 81 10.124 4.558 6.712 1.00 0.00 ATOM 674 C GLU 81 9.275 4.283 7.554 1.00 0.00 ATOM 675 N GLY 82 8.106 3.700 7.246 1.00 0.00 ATOM 676 CA GLY 82 7.745 3.396 5.873 1.00 0.00 ATOM 677 O GLY 82 8.484 4.804 4.054 1.00 0.00 ATOM 678 C GLY 82 7.726 4.674 5.024 1.00 0.00 ATOM 679 N ILE 83 6.984 5.672 5.498 1.00 0.00 ATOM 680 CA ILE 83 6.836 6.937 4.787 1.00 0.00 ATOM 681 CB ILE 83 5.698 7.788 5.380 1.00 0.00 ATOM 682 CG1 ILE 83 6.082 8.297 6.772 1.00 0.00 ATOM 683 CG2 ILE 83 4.409 6.984 5.442 1.00 0.00 ATOM 684 CD1 ILE 83 5.010 9.132 7.434 1.00 0.00 ATOM 685 O ILE 83 8.444 8.486 3.921 1.00 0.00 ATOM 686 C ILE 83 8.145 7.720 4.836 1.00 0.00 ATOM 687 N GLN 84 8.956 7.482 5.865 1.00 0.00 ATOM 688 CA GLN 84 10.237 8.173 5.960 1.00 0.00 ATOM 689 CB GLN 84 10.932 7.834 7.282 1.00 0.00 ATOM 690 CG GLN 84 12.231 8.587 7.512 1.00 0.00 ATOM 691 CD GLN 84 12.815 8.323 8.888 1.00 0.00 ATOM 692 OE1 GLN 84 12.240 7.584 9.691 1.00 0.00 ATOM 693 NE2 GLN 84 13.962 8.933 9.168 1.00 0.00 ATOM 694 O GLN 84 11.938 8.575 4.326 1.00 0.00 ATOM 695 C GLN 84 11.115 7.786 4.780 1.00 0.00 ATOM 696 N VAL 85 10.890 6.582 4.262 1.00 0.00 ATOM 697 CA VAL 85 11.641 6.077 3.119 1.00 0.00 ATOM 698 CB VAL 85 11.771 4.529 3.163 1.00 0.00 ATOM 699 CG1 VAL 85 12.410 3.962 1.893 1.00 0.00 ATOM 700 CG2 VAL 85 12.572 4.069 4.399 1.00 0.00 ATOM 701 O VAL 85 11.729 6.860 0.863 1.00 0.00 ATOM 702 C VAL 85 11.015 6.511 1.801 1.00 0.00 ATOM 703 N TYR 86 9.697 6.361 1.680 1.00 0.00 ATOM 704 CA TYR 86 9.024 6.758 0.449 1.00 0.00 ATOM 705 CB TYR 86 7.515 6.531 0.567 1.00 0.00 ATOM 706 CG TYR 86 6.712 7.158 -0.551 1.00 0.00 ATOM 707 CD1 TYR 86 6.638 6.556 -1.800 1.00 0.00 ATOM 708 CD2 TYR 86 6.029 8.348 -0.355 1.00 0.00 ATOM 709 CE1 TYR 86 5.907 7.125 -2.824 1.00 0.00 ATOM 710 CE2 TYR 86 5.293 8.925 -1.372 1.00 0.00 ATOM 711 CZ TYR 86 5.235 8.310 -2.606 1.00 0.00 ATOM 712 OH TYR 86 4.503 8.881 -3.622 1.00 0.00 ATOM 713 O TYR 86 9.426 8.606 -1.034 1.00 0.00 ATOM 714 C TYR 86 9.325 8.217 0.135 1.00 0.00 ATOM 715 N ARG 87 9.394 9.038 1.181 1.00 0.00 ATOM 716 CA ARG 87 9.679 10.451 1.015 1.00 0.00 ATOM 717 CB ARG 87 9.174 11.281 2.187 1.00 0.00 ATOM 718 CG ARG 87 7.669 11.243 2.396 1.00 0.00 ATOM 719 CD ARG 87 7.182 12.112 3.498 1.00 0.00 ATOM 720 NE ARG 87 7.573 11.673 4.828 1.00 0.00 ATOM 721 CZ ARG 87 8.593 12.195 5.537 1.00 0.00 ATOM 722 NH1 ARG 87 9.350 13.146 5.035 1.00 0.00 ATOM 723 NH2 ARG 87 8.828 11.709 6.743 1.00 0.00 ATOM 724 O ARG 87 11.446 11.778 0.092 1.00 0.00 ATOM 725 C ARG 87 11.149 10.783 0.755 1.00 0.00 ATOM 726 N ARG 88 12.010 9.791 0.943 1.00 0.00 ATOM 727 CA ARG 88 13.446 9.963 0.767 1.00 0.00 ATOM 728 CB ARG 88 14.228 8.727 1.190 1.00 0.00 ATOM 729 CG ARG 88 15.739 8.869 1.107 1.00 0.00 ATOM 730 CD ARG 88 16.489 7.645 1.489 1.00 0.00 ATOM 731 NE ARG 88 16.282 6.510 0.605 1.00 0.00 ATOM 732 CZ ARG 88 16.870 6.358 -0.597 1.00 0.00 ATOM 733 NH1 ARG 88 17.670 7.283 -1.080 1.00 0.00 ATOM 734 NH2 ARG 88 16.601 5.266 -1.291 1.00 0.00 ATOM 735 O ARG 88 14.609 11.247 -0.890 1.00 0.00 ATOM 736 C ARG 88 13.776 10.372 -0.666 1.00 0.00 ATOM 737 N PHE 89 13.121 9.764 -1.623 1.00 0.00 ATOM 738 CA PHE 89 13.336 10.061 -3.036 1.00 0.00 ATOM 739 CB PHE 89 12.661 9.005 -3.913 1.00 0.00 ATOM 740 CG PHE 89 13.370 7.681 -3.922 1.00 0.00 ATOM 741 CD1 PHE 89 12.895 6.619 -3.166 1.00 0.00 ATOM 742 CD2 PHE 89 14.512 7.494 -4.685 1.00 0.00 ATOM 743 CE1 PHE 89 13.547 5.400 -3.173 1.00 0.00 ATOM 744 CE2 PHE 89 15.164 6.276 -4.695 1.00 0.00 ATOM 745 CZ PHE 89 14.681 5.228 -3.937 1.00 0.00 ATOM 746 O PHE 89 12.953 11.783 -4.641 1.00 0.00 ATOM 747 C PHE 89 12.834 11.450 -3.463 1.00 0.00 ATOM 748 N TYR 90 11.902 12.022 -2.708 1.00 0.00 ATOM 749 CA TYR 90 11.396 13.351 -3.036 1.00 0.00 ATOM 750 CB TYR 90 9.883 13.307 -3.261 1.00 0.00 ATOM 751 CG TYR 90 9.460 12.416 -4.408 1.00 0.00 ATOM 752 CD1 TYR 90 8.946 11.149 -4.174 1.00 0.00 ATOM 753 CD2 TYR 90 9.572 12.847 -5.722 1.00 0.00 ATOM 754 CE1 TYR 90 8.559 10.331 -5.218 1.00 0.00 ATOM 755 CE2 TYR 90 9.188 12.038 -6.773 1.00 0.00 ATOM 756 CZ TYR 90 8.681 10.780 -6.517 1.00 0.00 ATOM 757 OH TYR 90 8.294 9.971 -7.561 1.00 0.00 ATOM 758 O TYR 90 12.596 14.185 -1.153 1.00 0.00 ATOM 759 C TYR 90 11.703 14.403 -1.972 1.00 0.00 ATOM 760 N ASP 91 11.030 15.627 -1.966 1.00 0.00 ATOM 761 CA ASP 91 11.324 16.698 -1.009 1.00 0.00 ATOM 762 CB ASP 91 10.736 18.026 -1.492 1.00 0.00 ATOM 763 CG ASP 91 11.134 19.232 -0.655 1.00 0.00 ATOM 764 OD1 ASP 91 11.985 19.089 0.192 1.00 0.00 ATOM 765 OD2 ASP 91 10.704 20.317 -0.969 1.00 0.00 ATOM 766 O ASP 91 9.642 16.591 0.729 1.00 0.00 ATOM 767 C ASP 91 10.704 16.143 0.275 1.00 0.00 ATOM 768 N GLU 92 11.373 15.117 0.812 1.00 0.00 ATOM 769 CA GLU 92 10.906 14.445 2.003 1.00 0.00 ATOM 770 CB GLU 92 11.756 13.205 2.287 1.00 0.00 ATOM 771 CG GLU 92 13.238 13.491 2.483 1.00 0.00 ATOM 772 CD GLU 92 13.521 13.982 3.876 1.00 0.00 ATOM 773 OE1 GLU 92 13.021 13.396 4.805 1.00 0.00 ATOM 774 OE2 GLU 92 14.325 14.873 4.017 1.00 0.00 ATOM 775 O GLU 92 10.033 15.151 4.085 1.00 0.00 ATOM 776 C GLU 92 10.902 15.326 3.236 1.00 0.00 ATOM 777 N GLU 93 11.797 16.340 3.330 1.00 0.00 ATOM 778 CA GLU 93 11.819 17.250 4.484 1.00 0.00 ATOM 779 CB GLU 93 13.087 18.107 4.467 1.00 0.00 ATOM 780 CG GLU 93 13.232 19.039 5.661 1.00 0.00 ATOM 781 CD GLU 93 14.523 19.807 5.601 1.00 0.00 ATOM 782 OE1 GLU 93 15.268 19.608 4.672 1.00 0.00 ATOM 783 OE2 GLU 93 14.715 20.673 6.422 1.00 0.00 ATOM 784 O GLU 93 9.864 18.194 5.486 1.00 0.00 ATOM 785 C GLU 93 10.576 18.130 4.483 1.00 0.00 ATOM 786 N LYS 94 10.208 18.610 3.323 1.00 0.00 ATOM 787 CA LYS 94 9.012 19.439 3.222 1.00 0.00 ATOM 788 CB LYS 94 8.885 20.027 1.816 1.00 0.00 ATOM 789 CG LYS 94 7.689 20.952 1.626 1.00 0.00 ATOM 790 CD LYS 94 7.677 21.562 0.233 1.00 0.00 ATOM 791 CE LYS 94 6.467 22.462 0.032 1.00 0.00 ATOM 792 NZ LYS 94 6.428 23.047 -1.336 1.00 0.00 ATOM 793 O LYS 94 6.888 19.100 4.308 1.00 0.00 ATOM 794 C LYS 94 7.763 18.624 3.578 1.00 0.00 ATOM 795 N GLU 95 7.723 17.419 3.083 1.00 0.00 ATOM 796 CA GLU 95 6.583 16.537 3.344 1.00 0.00 ATOM 797 CB GLU 95 6.674 15.276 2.482 1.00 0.00 ATOM 798 CG GLU 95 6.650 15.536 0.982 1.00 0.00 ATOM 799 CD GLU 95 5.301 16.021 0.533 1.00 0.00 ATOM 800 OE1 GLU 95 4.328 15.371 0.829 1.00 0.00 ATOM 801 OE2 GLU 95 5.229 17.099 -0.010 1.00 0.00 ATOM 802 O GLU 95 5.296 15.883 5.227 1.00 0.00 ATOM 803 C GLU 95 6.430 16.109 4.798 1.00 0.00 ATOM 804 N LYS 96 7.496 15.727 5.500 1.00 0.00 ATOM 805 CA LYS 96 7.478 15.455 6.926 1.00 0.00 ATOM 806 CB LYS 96 8.905 15.302 7.459 1.00 0.00 ATOM 807 CG LYS 96 8.981 14.985 8.944 1.00 0.00 ATOM 808 CD LYS 96 10.420 14.772 9.388 1.00 0.00 ATOM 809 CE LYS 96 10.499 14.486 10.879 1.00 0.00 ATOM 810 NZ LYS 96 11.901 14.271 11.330 1.00 0.00 ATOM 811 O LYS 96 6.046 16.244 8.657 1.00 0.00 ATOM 812 C LYS 96 6.815 16.552 7.739 1.00 0.00 ATOM 813 N LYS 97 7.056 17.787 7.329 1.00 0.00 ATOM 814 CA LYS 97 6.475 18.898 8.058 1.00 0.00 ATOM 815 CB LYS 97 7.047 20.225 7.556 1.00 0.00 ATOM 816 CG LYS 97 8.513 20.450 7.904 1.00 0.00 ATOM 817 CD LYS 97 9.015 21.778 7.358 1.00 0.00 ATOM 818 CE LYS 97 10.473 22.012 7.720 1.00 0.00 ATOM 819 NZ LYS 97 10.984 23.297 7.171 1.00 0.00 ATOM 820 O LYS 97 4.391 19.690 8.879 1.00 0.00 ATOM 821 C LYS 97 4.958 19.013 8.013 1.00 0.00 ATOM 822 N TYR 98 4.262 18.491 6.999 1.00 0.00 ATOM 823 CA TYR 98 2.825 18.656 6.953 1.00 0.00 ATOM 824 CB TYR 98 2.421 19.485 5.732 1.00 0.00 ATOM 825 CG TYR 98 2.954 20.901 5.747 1.00 0.00 ATOM 826 CD1 TYR 98 4.100 21.237 5.041 1.00 0.00 ATOM 827 CD2 TYR 98 2.310 21.896 6.466 1.00 0.00 ATOM 828 CE1 TYR 98 4.593 22.528 5.051 1.00 0.00 ATOM 829 CE2 TYR 98 2.793 23.190 6.483 1.00 0.00 ATOM 830 CZ TYR 98 3.935 23.502 5.775 1.00 0.00 ATOM 831 OH TYR 98 4.420 24.790 5.788 1.00 0.00 ATOM 832 O TYR 98 0.719 17.947 7.838 1.00 0.00 ATOM 833 C TYR 98 1.542 17.841 6.911 1.00 0.00 ATOM 834 N GLY 99 0.919 16.985 5.784 1.00 0.00 ATOM 835 CA GLY 99 -0.384 16.354 5.731 1.00 0.00 ATOM 836 O GLY 99 -0.026 14.909 3.855 1.00 0.00 ATOM 837 C GLY 99 -0.616 15.084 4.922 1.00 0.00 ATOM 838 N VAL 100 -1.472 14.200 5.440 1.00 0.00 ATOM 839 CA VAL 100 -1.808 12.935 4.781 1.00 0.00 ATOM 840 CB VAL 100 -1.655 11.772 5.781 1.00 0.00 ATOM 841 CG1 VAL 100 -2.115 10.467 5.142 1.00 0.00 ATOM 842 CG2 VAL 100 -0.182 11.673 6.197 1.00 0.00 ATOM 843 O VAL 100 -4.162 13.212 5.169 1.00 0.00 ATOM 844 C VAL 100 -3.288 12.838 4.387 1.00 0.00 ATOM 845 N VAL 101 -3.559 12.137 3.288 1.00 0.00 ATOM 846 CA VAL 101 -4.920 11.924 2.800 1.00 0.00 ATOM 847 CB VAL 101 -4.982 11.967 1.261 1.00 0.00 ATOM 848 CG1 VAL 101 -6.403 11.718 0.779 1.00 0.00 ATOM 849 CG2 VAL 101 -4.473 13.305 0.745 1.00 0.00 ATOM 850 O VAL 101 -5.030 9.530 2.770 1.00 0.00 ATOM 851 C VAL 101 -5.342 10.570 3.352 1.00 0.00 ATOM 852 N ALA 102 -6.139 10.495 4.504 1.00 0.00 ATOM 853 CA ALA 102 -6.605 9.240 5.074 1.00 0.00 ATOM 854 CB ALA 102 -6.717 9.356 6.587 1.00 0.00 ATOM 855 O ALA 102 -8.904 9.631 4.697 1.00 0.00 ATOM 856 C ALA 102 -7.945 8.890 4.499 1.00 0.00 ATOM 857 N ILE 103 -7.988 7.798 3.727 1.00 0.00 ATOM 858 CA ILE 103 -9.220 7.380 3.044 1.00 0.00 ATOM 859 CB ILE 103 -8.992 7.190 1.534 1.00 0.00 ATOM 860 CG1 ILE 103 -8.531 8.503 0.894 1.00 0.00 ATOM 861 CG2 ILE 103 -10.260 6.684 0.864 1.00 0.00 ATOM 862 CD1 ILE 103 -8.084 8.358 -0.543 1.00 0.00 ATOM 863 O ILE 103 -9.184 5.074 3.516 1.00 0.00 ATOM 864 C ILE 103 -9.783 6.120 3.589 1.00 0.00 ATOM 865 N GLU 104 -11.067 6.256 4.145 1.00 0.00 ATOM 866 CA GLU 104 -11.781 5.099 4.611 1.00 0.00 ATOM 867 CB GLU 104 -12.776 5.490 5.706 1.00 0.00 ATOM 868 CG GLU 104 -13.593 4.329 6.256 1.00 0.00 ATOM 869 CD GLU 104 -14.515 4.781 7.355 1.00 0.00 ATOM 870 OE1 GLU 104 -15.279 5.689 7.127 1.00 0.00 ATOM 871 OE2 GLU 104 -14.535 4.149 8.384 1.00 0.00 ATOM 872 O GLU 104 -13.296 5.136 2.774 1.00 0.00 ATOM 873 C GLU 104 -12.466 4.481 3.401 1.00 0.00 ATOM 874 N ILE 105 -12.355 3.168 3.252 1.00 0.00 ATOM 875 CA ILE 105 -12.953 2.503 2.111 1.00 0.00 ATOM 876 CB ILE 105 -11.901 2.103 1.064 1.00 0.00 ATOM 877 CG1 ILE 105 -10.755 1.339 1.733 1.00 0.00 ATOM 878 CG2 ILE 105 -11.401 3.342 0.333 1.00 0.00 ATOM 879 CD1 ILE 105 -9.723 0.766 0.770 1.00 0.00 ATOM 880 O ILE 105 -13.057 0.602 3.455 1.00 0.00 ATOM 881 C ILE 105 -13.589 1.191 2.505 1.00 0.00 ATOM 882 N GLU 106 -14.090 0.487 1.490 1.00 0.00 ATOM 883 CA GLU 106 -14.736 -0.813 1.649 1.00 0.00 ATOM 884 CB GLU 106 -16.215 -0.636 2.002 1.00 0.00 ATOM 885 CG GLU 106 -17.043 0.041 0.918 1.00 0.00 ATOM 886 CD GLU 106 -18.458 0.265 1.373 1.00 0.00 ATOM 887 OE1 GLU 106 -18.771 -0.098 2.481 1.00 0.00 ATOM 888 OE2 GLU 106 -19.198 0.897 0.656 1.00 0.00 ATOM 889 O GLU 106 -14.621 -1.053 -0.737 1.00 0.00 ATOM 890 C GLU 106 -14.564 -1.614 0.358 1.00 0.00 ATOM 891 N PRO 107 -14.479 -2.934 0.472 1.00 0.00 ATOM 892 CA PRO 107 -14.318 -3.776 -0.709 1.00 0.00 ATOM 893 CB PRO 107 -13.812 -5.108 -0.148 1.00 0.00 ATOM 894 CG PRO 107 -14.344 -5.153 1.244 1.00 0.00 ATOM 895 CD PRO 107 -14.405 -3.727 1.714 1.00 0.00 ATOM 896 O PRO 107 -16.605 -4.438 -0.831 1.00 0.00 ATOM 897 C PRO 107 -15.659 -3.924 -1.414 1.00 0.00 ATOM 898 N LEU 108 -15.714 -3.618 -2.697 1.00 0.00 ATOM 899 CA LEU 108 -16.963 -3.735 -3.427 1.00 0.00 ATOM 900 CB LEU 108 -17.097 -2.588 -4.435 1.00 0.00 ATOM 901 CG LEU 108 -17.792 -1.329 -3.902 1.00 0.00 ATOM 902 CD1 LEU 108 -17.299 -1.015 -2.496 1.00 0.00 ATOM 903 CD2 LEU 108 -17.522 -0.161 -4.840 1.00 0.00 ATOM 904 O LEU 108 -18.249 -5.426 -4.546 1.00 0.00 ATOM 905 C LEU 108 -17.135 -5.074 -4.174 1.00 0.00 ATOM 906 N GLU 109 -15.842 -5.476 -4.503 1.00 0.00 ATOM 907 CA GLU 109 -15.652 -6.552 -5.471 1.00 0.00 ATOM 908 CB GLU 109 -15.997 -6.070 -6.882 1.00 0.00 ATOM 909 CG GLU 109 -15.855 -7.133 -7.962 1.00 0.00 ATOM 910 CD GLU 109 -16.252 -6.600 -9.310 1.00 0.00 ATOM 911 OE1 GLU 109 -16.554 -5.433 -9.400 1.00 0.00 ATOM 912 OE2 GLU 109 -16.147 -7.327 -10.270 1.00 0.00 ATOM 913 O GLU 109 -13.361 -6.253 -4.884 1.00 0.00 ATOM 914 C GLU 109 -14.211 -7.009 -5.357 1.00 0.00 ATOM 915 N TYR 110 -13.931 -8.257 -5.756 1.00 0.00 ATOM 916 CA TYR 110 -12.572 -8.776 -5.685 1.00 0.00 ATOM 917 CB TYR 110 -12.235 -9.199 -4.254 1.00 0.00 ATOM 918 CG TYR 110 -12.982 -10.429 -3.787 1.00 0.00 ATOM 919 CD1 TYR 110 -14.017 -10.963 -4.540 1.00 0.00 ATOM 920 CD2 TYR 110 -12.646 -11.054 -2.595 1.00 0.00 ATOM 921 CE1 TYR 110 -14.702 -12.087 -4.118 1.00 0.00 ATOM 922 CE2 TYR 110 -13.323 -12.179 -2.163 1.00 0.00 ATOM 923 CZ TYR 110 -14.351 -12.692 -2.928 1.00 0.00 ATOM 924 OH TYR 110 -15.028 -13.812 -2.503 1.00 0.00 ATOM 925 O TYR 110 -11.322 -10.406 -6.886 1.00 0.00 ATOM 926 C TYR 110 -12.455 -9.944 -6.660 1.00 0.00 TER END