PFRMAT TS TARGET T0215 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 try5-opt2.repack-nonPC, whose backbone was created by METHOD undertaker, but whose sidechains were repacked by Rosetta. METHOD It had the lowest Rosetta energy of any of our repacked models. METHOD REMARK 6 REMARK 6 T0215 model 2 Mon Aug 16 17:36:35 2004 MODEL 2 PARENT 1lql_A 1n0e_A 1l2f_A 1mgp_A 1hx1_A REMARK 7 REMARK 7 ALLPARENTS 1lql_A 1n0e_A 1l2f_A 1mgp_A 1hx1_A 1nye_A 1fno_A REMARK 7 ALLPARENTS 1v8p_A 1v8o_A 1jb9_A 1nc7_A 1rcu_A ATOM 1 N MET 1 -21.365 -5.857 -12.145 1.00 0.00 ATOM 2 CA MET 1 -20.275 -6.691 -12.753 1.00 0.00 ATOM 3 CB MET 1 -20.660 -7.112 -14.169 1.00 0.00 ATOM 4 CG MET 1 -21.953 -7.911 -14.259 1.00 0.00 ATOM 5 SD MET 1 -21.876 -9.461 -13.341 1.00 0.00 ATOM 6 CE MET 1 -20.718 -10.391 -14.341 1.00 0.00 ATOM 7 O MET 1 -18.930 -4.709 -12.784 1.00 0.00 ATOM 8 C MET 1 -18.951 -5.940 -12.768 1.00 0.00 ATOM 9 N GLY 2 -17.853 -6.683 -12.624 1.00 0.00 ATOM 10 CA GLY 2 -16.542 -6.059 -12.643 1.00 0.00 ATOM 11 O GLY 2 -15.070 -4.758 -11.273 1.00 0.00 ATOM 12 C GLY 2 -16.049 -5.490 -11.312 1.00 0.00 ATOM 13 N THR 3 -16.751 -5.841 -10.232 1.00 0.00 ATOM 14 CA THR 3 -16.410 -5.323 -8.917 1.00 0.00 ATOM 15 CB THR 3 -17.646 -5.248 -8.002 1.00 0.00 ATOM 16 CG2 THR 3 -17.278 -4.643 -6.656 1.00 0.00 ATOM 17 OG1 THR 3 -18.656 -4.442 -8.623 1.00 0.00 ATOM 18 O THR 3 -15.048 -7.298 -8.790 1.00 0.00 ATOM 19 C THR 3 -15.340 -6.215 -8.282 1.00 0.00 ATOM 20 N SER 4 -14.673 -5.740 -7.217 1.00 0.00 ATOM 21 CA SER 4 -13.639 -6.531 -6.568 1.00 0.00 ATOM 22 CB SER 4 -12.976 -5.723 -5.469 1.00 0.00 ATOM 23 OG SER 4 -13.860 -5.436 -4.420 1.00 0.00 ATOM 24 O SER 4 -13.544 -8.787 -5.750 1.00 0.00 ATOM 25 C SER 4 -14.248 -7.819 -6.016 1.00 0.00 ATOM 26 N HIS 5 -15.613 -7.786 -5.752 1.00 0.00 ATOM 27 CA HIS 5 -16.307 -8.940 -5.134 1.00 0.00 ATOM 28 CB HIS 5 -17.209 -8.477 -3.985 1.00 0.00 ATOM 29 CG HIS 5 -16.460 -7.863 -2.843 1.00 0.00 ATOM 30 CD2 HIS 5 -16.384 -6.582 -2.412 1.00 0.00 ATOM 31 ND1 HIS 5 -15.666 -8.602 -1.990 1.00 0.00 ATOM 32 CE1 HIS 5 -15.135 -7.800 -1.084 1.00 0.00 ATOM 33 NE2 HIS 5 -15.554 -6.570 -1.318 1.00 0.00 ATOM 34 O HIS 5 -17.356 -10.931 -5.949 1.00 0.00 ATOM 35 C HIS 5 -17.139 -9.733 -6.128 1.00 0.00 ATOM 36 N HIS 6 -17.674 -9.115 -7.142 1.00 0.00 ATOM 37 CA HIS 6 -18.431 -9.860 -8.173 1.00 0.00 ATOM 38 CB HIS 6 -19.411 -8.954 -8.905 1.00 0.00 ATOM 39 CG HIS 6 -20.553 -8.461 -8.066 1.00 0.00 ATOM 40 CD2 HIS 6 -20.727 -7.283 -7.425 1.00 0.00 ATOM 41 ND1 HIS 6 -21.703 -9.195 -7.846 1.00 0.00 ATOM 42 CE1 HIS 6 -22.533 -8.479 -7.100 1.00 0.00 ATOM 43 NE2 HIS 6 -21.954 -7.323 -6.822 1.00 0.00 ATOM 44 O HIS 6 -16.314 -9.848 -9.284 1.00 0.00 ATOM 45 C HIS 6 -17.413 -10.369 -9.170 1.00 0.00 ATOM 46 N HIS 7 -17.792 -11.390 -10.036 1.00 0.00 ATOM 47 CA HIS 7 -16.891 -11.840 -11.086 1.00 0.00 ATOM 48 CB HIS 7 -17.096 -13.331 -11.373 1.00 0.00 ATOM 49 CG HIS 7 -16.624 -14.227 -10.271 1.00 0.00 ATOM 50 CD2 HIS 7 -15.895 -13.966 -9.160 1.00 0.00 ATOM 51 ND1 HIS 7 -16.898 -15.578 -10.242 1.00 0.00 ATOM 52 CE1 HIS 7 -16.357 -16.110 -9.158 1.00 0.00 ATOM 53 NE2 HIS 7 -15.744 -15.153 -8.487 1.00 0.00 ATOM 54 O HIS 7 -18.227 -10.439 -12.510 1.00 0.00 ATOM 55 C HIS 7 -17.138 -10.992 -12.329 1.00 0.00 ATOM 56 N HIS 8 -16.157 -10.947 -13.217 1.00 0.00 ATOM 57 CA HIS 8 -16.256 -10.219 -14.475 1.00 0.00 ATOM 58 CB HIS 8 -15.105 -9.135 -14.537 1.00 0.00 ATOM 59 CG HIS 8 -15.223 -8.112 -15.629 1.00 0.00 ATOM 60 CD2 HIS 8 -14.305 -7.645 -16.510 1.00 0.00 ATOM 61 ND1 HIS 8 -16.392 -7.437 -15.904 1.00 0.00 ATOM 62 CE1 HIS 8 -16.195 -6.598 -16.906 1.00 0.00 ATOM 63 NE2 HIS 8 -14.933 -6.706 -17.293 1.00 0.00 ATOM 64 O HIS 8 -15.707 -11.604 -16.378 1.00 0.00 ATOM 65 C HIS 8 -16.586 -11.005 -15.749 1.00 0.00 ATOM 66 N HIS 9 -17.886 -11.157 -16.273 1.00 0.00 ATOM 67 CA HIS 9 -18.226 -11.941 -17.452 1.00 0.00 ATOM 68 CB HIS 9 -19.145 -13.156 -17.065 1.00 0.00 ATOM 69 CG HIS 9 -18.482 -14.378 -16.491 1.00 0.00 ATOM 70 CD2 HIS 9 -17.675 -14.542 -15.414 1.00 0.00 ATOM 71 ND1 HIS 9 -18.719 -15.647 -16.984 1.00 0.00 ATOM 72 CE1 HIS 9 -18.088 -16.535 -16.236 1.00 0.00 ATOM 73 NE2 HIS 9 -17.448 -15.891 -15.275 1.00 0.00 ATOM 74 O HIS 9 -19.733 -10.213 -18.073 1.00 0.00 ATOM 75 C HIS 9 -18.982 -11.110 -18.454 1.00 0.00 ATOM 76 N HIS 10 -18.807 -11.432 -19.726 1.00 0.00 ATOM 77 CA HIS 10 -19.537 -10.787 -20.815 1.00 0.00 ATOM 78 CB HIS 10 -18.566 -10.173 -21.829 1.00 0.00 ATOM 79 CG HIS 10 -17.779 -9.020 -21.287 1.00 0.00 ATOM 80 CD2 HIS 10 -17.819 -8.400 -20.085 1.00 0.00 ATOM 81 ND1 HIS 10 -16.807 -8.373 -22.022 1.00 0.00 ATOM 82 CE1 HIS 10 -16.284 -7.402 -21.292 1.00 0.00 ATOM 83 NE2 HIS 10 -16.880 -7.399 -20.114 1.00 0.00 ATOM 84 O HIS 10 -19.977 -12.691 -22.189 1.00 0.00 ATOM 85 C HIS 10 -20.448 -11.803 -21.482 1.00 0.00 ATOM 86 N SER 11 -21.813 -11.669 -21.255 1.00 0.00 ATOM 87 CA SER 11 -22.794 -12.583 -21.850 1.00 0.00 ATOM 88 CB SER 11 -24.146 -12.454 -21.144 1.00 0.00 ATOM 89 OG SER 11 -24.726 -11.183 -21.381 1.00 0.00 ATOM 90 O SER 11 -23.647 -12.917 -24.127 1.00 0.00 ATOM 91 C SER 11 -22.965 -12.228 -23.347 1.00 0.00 ATOM 92 N SER 12 -22.403 -11.091 -23.771 1.00 0.00 ATOM 93 CA SER 12 -22.496 -10.696 -25.173 1.00 0.00 ATOM 94 CB SER 12 -22.024 -9.265 -25.345 1.00 0.00 ATOM 95 OG SER 12 -20.658 -9.126 -25.072 1.00 0.00 ATOM 96 O SER 12 -21.953 -11.851 -27.231 1.00 0.00 ATOM 97 C SER 12 -21.673 -11.659 -26.040 1.00 0.00 ATOM 98 N GLY 13 -20.679 -12.220 -25.235 1.00 0.00 ATOM 99 CA GLY 13 -19.822 -13.226 -25.870 1.00 0.00 ATOM 100 O GLY 13 -20.387 -14.887 -27.516 1.00 0.00 ATOM 101 C GLY 13 -20.620 -14.406 -26.401 1.00 0.00 ATOM 102 N ARG 14 -21.571 -14.874 -25.606 1.00 0.00 ATOM 103 CA ARG 14 -22.417 -15.990 -26.014 1.00 0.00 ATOM 104 CB ARG 14 -23.242 -16.537 -24.859 1.00 0.00 ATOM 105 CG ARG 14 -22.448 -17.294 -23.807 1.00 0.00 ATOM 106 CD ARG 14 -23.253 -17.758 -22.649 1.00 0.00 ATOM 107 NE ARG 14 -22.492 -18.470 -21.633 1.00 0.00 ATOM 108 CZ ARG 14 -22.998 -18.901 -20.461 1.00 0.00 ATOM 109 NH1 ARG 14 -24.249 -18.663 -20.135 1.00 0.00 ATOM 110 NH2 ARG 14 -22.195 -19.550 -19.636 1.00 0.00 ATOM 111 O ARG 14 -23.489 -16.373 -28.117 1.00 0.00 ATOM 112 C ARG 14 -23.288 -15.585 -27.198 1.00 0.00 ATOM 113 N GLU 15 -23.759 -14.341 -27.201 1.00 0.00 ATOM 114 CA GLU 15 -24.590 -13.863 -28.301 1.00 0.00 ATOM 115 CB GLU 15 -25.299 -12.563 -27.912 1.00 0.00 ATOM 116 CG GLU 15 -26.375 -12.728 -26.848 1.00 0.00 ATOM 117 CD GLU 15 -26.970 -11.402 -26.464 1.00 0.00 ATOM 118 OE1 GLU 15 -26.529 -10.402 -26.980 1.00 0.00 ATOM 119 OE2 GLU 15 -27.937 -11.395 -25.741 1.00 0.00 ATOM 120 O GLU 15 -24.335 -13.559 -30.673 1.00 0.00 ATOM 121 C GLU 15 -23.783 -13.645 -29.577 1.00 0.00 ATOM 122 N ASN 16 -22.490 -13.382 -29.416 1.00 0.00 ATOM 123 CA ASN 16 -21.611 -13.108 -30.567 1.00 0.00 ATOM 124 CB ASN 16 -20.783 -11.856 -30.346 1.00 0.00 ATOM 125 CG ASN 16 -21.604 -10.602 -30.214 1.00 0.00 ATOM 126 ND2 ASN 16 -21.431 -9.929 -29.106 1.00 0.00 ATOM 127 OD1 ASN 16 -22.328 -10.212 -31.136 1.00 0.00 ATOM 128 O ASN 16 -19.797 -14.543 -30.069 1.00 0.00 ATOM 129 C ASN 16 -20.701 -14.306 -30.857 1.00 0.00 ATOM 130 N LEU 17 -21.030 -14.991 -32.021 1.00 0.00 ATOM 131 CA LEU 17 -20.251 -16.142 -32.430 1.00 0.00 ATOM 132 CB LEU 17 -20.734 -16.651 -33.794 1.00 0.00 ATOM 133 CG LEU 17 -22.129 -17.289 -33.797 1.00 0.00 ATOM 134 CD1 LEU 17 -22.556 -17.605 -35.224 1.00 0.00 ATOM 135 CD2 LEU 17 -22.112 -18.551 -32.947 1.00 0.00 ATOM 136 O LEU 17 -17.937 -16.651 -32.216 1.00 0.00 ATOM 137 C LEU 17 -18.784 -15.802 -32.478 1.00 0.00 ATOM 138 N TYR 18 -18.432 -14.572 -32.855 1.00 0.00 ATOM 139 CA TYR 18 -17.038 -14.183 -32.868 1.00 0.00 ATOM 140 CB TYR 18 -16.877 -12.790 -33.477 1.00 0.00 ATOM 141 CG TYR 18 -15.448 -12.295 -33.508 1.00 0.00 ATOM 142 CD1 TYR 18 -14.562 -12.743 -34.479 1.00 0.00 ATOM 143 CD2 TYR 18 -14.991 -11.383 -32.566 1.00 0.00 ATOM 144 CE1 TYR 18 -13.254 -12.298 -34.514 1.00 0.00 ATOM 145 CE2 TYR 18 -13.686 -10.927 -32.586 1.00 0.00 ATOM 146 CZ TYR 18 -12.816 -11.394 -33.572 1.00 0.00 ATOM 147 OH TYR 18 -11.515 -10.949 -33.606 1.00 0.00 ATOM 148 O TYR 18 -15.434 -14.779 -31.164 1.00 0.00 ATOM 149 C TYR 18 -16.485 -14.164 -31.444 1.00 0.00 ATOM 150 N PHE 19 -17.124 -13.482 -30.516 1.00 0.00 ATOM 151 CA PHE 19 -16.617 -13.400 -29.150 1.00 0.00 ATOM 152 CB PHE 19 -17.338 -12.295 -28.377 1.00 0.00 ATOM 153 CG PHE 19 -16.926 -10.907 -28.778 1.00 0.00 ATOM 154 CD1 PHE 19 -17.727 -10.144 -29.614 1.00 0.00 ATOM 155 CD2 PHE 19 -15.735 -10.362 -28.321 1.00 0.00 ATOM 156 CE1 PHE 19 -17.348 -8.866 -29.983 1.00 0.00 ATOM 157 CE2 PHE 19 -15.354 -9.086 -28.688 1.00 0.00 ATOM 158 CZ PHE 19 -16.163 -8.337 -29.520 1.00 0.00 ATOM 159 O PHE 19 -15.973 -14.766 -27.301 1.00 0.00 ATOM 160 C PHE 19 -16.697 -14.650 -28.291 1.00 0.00 ATOM 161 N GLN 20 -17.686 -15.588 -28.651 1.00 0.00 ATOM 162 CA GLN 20 -17.931 -16.806 -27.875 1.00 0.00 ATOM 163 CB GLN 20 -18.757 -17.803 -28.691 1.00 0.00 ATOM 164 CG GLN 20 -19.088 -19.090 -27.951 1.00 0.00 ATOM 165 CD GLN 20 -19.927 -20.037 -28.786 1.00 0.00 ATOM 166 OE1 GLN 20 -20.159 -19.802 -29.975 1.00 0.00 ATOM 167 NE2 GLN 20 -20.393 -21.116 -28.166 1.00 0.00 ATOM 168 O GLN 20 -16.400 -17.888 -26.342 1.00 0.00 ATOM 169 C GLN 20 -16.571 -17.412 -27.466 1.00 0.00 ATOM 170 N GLY 21 -15.624 -17.360 -28.404 1.00 0.00 ATOM 171 CA GLY 21 -14.312 -17.933 -28.132 1.00 0.00 ATOM 172 O GLY 21 -12.643 -17.856 -26.442 1.00 0.00 ATOM 173 C GLY 21 -13.589 -17.282 -26.971 1.00 0.00 ATOM 174 N HIS 22 -14.038 -16.093 -26.570 1.00 0.00 ATOM 175 CA HIS 22 -13.386 -15.374 -25.488 1.00 0.00 ATOM 176 CB HIS 22 -13.279 -13.882 -25.818 1.00 0.00 ATOM 177 CG HIS 22 -12.600 -13.600 -27.121 1.00 0.00 ATOM 178 CD2 HIS 22 -11.374 -13.098 -27.397 1.00 0.00 ATOM 179 ND1 HIS 22 -13.199 -13.842 -28.339 1.00 0.00 ATOM 180 CE1 HIS 22 -12.370 -13.500 -29.310 1.00 0.00 ATOM 181 NE2 HIS 22 -11.256 -13.046 -28.765 1.00 0.00 ATOM 182 O HIS 22 -13.690 -14.849 -23.184 1.00 0.00 ATOM 183 C HIS 22 -14.069 -15.516 -24.142 1.00 0.00 ATOM 184 N MET 23 -15.123 -16.411 -23.995 1.00 0.00 ATOM 185 CA MET 23 -15.830 -16.625 -22.743 1.00 0.00 ATOM 186 CB MET 23 -17.062 -17.498 -22.975 1.00 0.00 ATOM 187 CG MET 23 -18.168 -16.825 -23.776 1.00 0.00 ATOM 188 SD MET 23 -18.802 -15.339 -22.974 1.00 0.00 ATOM 189 CE MET 23 -19.621 -16.047 -21.548 1.00 0.00 ATOM 190 O MET 23 -15.133 -16.951 -20.474 1.00 0.00 ATOM 191 C MET 23 -14.969 -17.264 -21.656 1.00 0.00 ATOM 192 N ARG 24 -14.070 -18.176 -22.036 1.00 0.00 ATOM 193 CA ARG 24 -13.216 -18.834 -21.050 1.00 0.00 ATOM 194 CB ARG 24 -12.468 -20.021 -21.638 1.00 0.00 ATOM 195 CG ARG 24 -13.335 -21.230 -21.955 1.00 0.00 ATOM 196 CD ARG 24 -12.608 -22.354 -22.598 1.00 0.00 ATOM 197 NE ARG 24 -13.437 -23.506 -22.915 1.00 0.00 ATOM 198 CZ ARG 24 -13.007 -24.598 -23.576 1.00 0.00 ATOM 199 NH1 ARG 24 -11.774 -24.678 -24.023 1.00 0.00 ATOM 200 NH2 ARG 24 -13.867 -25.580 -23.783 1.00 0.00 ATOM 201 O ARG 24 -12.023 -17.797 -19.239 1.00 0.00 ATOM 202 C ARG 24 -12.286 -17.781 -20.438 1.00 0.00 ATOM 203 N ASN 25 -11.819 -16.823 -21.333 1.00 0.00 ATOM 204 CA ASN 25 -10.950 -15.731 -20.861 1.00 0.00 ATOM 205 CB ASN 25 -10.303 -14.996 -22.021 1.00 0.00 ATOM 206 CG ASN 25 -9.277 -13.981 -21.599 1.00 0.00 ATOM 207 ND2 ASN 25 -9.589 -12.732 -21.833 1.00 0.00 ATOM 208 OD1 ASN 25 -8.248 -14.320 -21.001 1.00 0.00 ATOM 209 O ASN 25 -11.225 -14.251 -19.029 1.00 0.00 ATOM 210 C ASN 25 -11.746 -14.778 -19.991 1.00 0.00 ATOM 211 N LEU 26 -13.021 -14.557 -20.337 1.00 0.00 ATOM 212 CA LEU 26 -13.863 -13.683 -19.529 1.00 0.00 ATOM 213 CB LEU 26 -15.213 -13.459 -20.222 1.00 0.00 ATOM 214 CG LEU 26 -15.157 -12.623 -21.506 1.00 0.00 ATOM 215 CD1 LEU 26 -16.452 -12.783 -22.291 1.00 0.00 ATOM 216 CD2 LEU 26 -14.918 -11.163 -21.153 1.00 0.00 ATOM 217 O LEU 26 -14.137 -13.509 -17.153 1.00 0.00 ATOM 218 C LEU 26 -14.076 -14.253 -18.130 1.00 0.00 ATOM 219 N SER 27 -14.197 -15.584 -18.018 1.00 0.00 ATOM 220 CA SER 27 -14.379 -16.228 -16.721 1.00 0.00 ATOM 221 CB SER 27 -14.662 -17.706 -16.906 1.00 0.00 ATOM 222 OG SER 27 -14.824 -18.369 -15.683 1.00 0.00 ATOM 223 O SER 27 -13.186 -15.425 -14.813 1.00 0.00 ATOM 224 C SER 27 -13.114 -15.977 -15.907 1.00 0.00 ATOM 225 N ASP 28 -11.894 -16.276 -16.601 1.00 0.00 ATOM 226 CA ASP 28 -10.592 -15.987 -16.031 1.00 0.00 ATOM 227 CB ASP 28 -9.479 -16.425 -16.986 1.00 0.00 ATOM 228 CG ASP 28 -9.288 -17.933 -17.079 1.00 0.00 ATOM 229 OD1 ASP 28 -9.840 -18.633 -16.264 1.00 0.00 ATOM 230 OD2 ASP 28 -8.724 -18.380 -18.049 1.00 0.00 ATOM 231 O ASP 28 -9.841 -14.043 -14.894 1.00 0.00 ATOM 232 C ASP 28 -10.609 -14.467 -15.762 1.00 0.00 ATOM 233 N ARG 29 -11.327 -13.763 -16.537 1.00 0.00 ATOM 234 CA ARG 29 -11.346 -12.313 -16.397 1.00 0.00 ATOM 235 CB ARG 29 -12.233 -11.647 -17.437 1.00 0.00 ATOM 236 CG ARG 29 -12.084 -10.137 -17.533 1.00 0.00 ATOM 237 CD ARG 29 -12.691 -9.538 -18.749 1.00 0.00 ATOM 238 NE ARG 29 -12.567 -8.091 -18.835 1.00 0.00 ATOM 239 CZ ARG 29 -11.510 -7.445 -19.366 1.00 0.00 ATOM 240 NH1 ARG 29 -10.470 -8.107 -19.823 1.00 0.00 ATOM 241 NH2 ARG 29 -11.536 -6.123 -19.392 1.00 0.00 ATOM 242 O ARG 29 -11.156 -10.928 -14.433 1.00 0.00 ATOM 243 C ARG 29 -11.735 -11.861 -14.990 1.00 0.00 ATOM 244 N ALA 30 -12.655 -12.516 -14.366 1.00 0.00 ATOM 245 CA ALA 30 -12.982 -12.207 -12.981 1.00 0.00 ATOM 246 CB ALA 30 -14.115 -13.087 -12.511 1.00 0.00 ATOM 247 O ALA 30 -11.487 -11.599 -11.210 1.00 0.00 ATOM 248 C ALA 30 -11.770 -12.425 -12.072 1.00 0.00 ATOM 249 N LYS 31 -11.060 -13.540 -12.274 1.00 0.00 ATOM 250 CA LYS 31 -9.858 -13.861 -11.489 1.00 0.00 ATOM 251 CB LYS 31 -9.297 -15.222 -11.901 1.00 0.00 ATOM 252 CG LYS 31 -10.157 -16.408 -11.488 1.00 0.00 ATOM 253 CD LYS 31 -9.535 -17.725 -11.933 1.00 0.00 ATOM 254 CE LYS 31 -10.407 -18.909 -11.541 1.00 0.00 ATOM 255 NZ LYS 31 -9.829 -20.201 -12.001 1.00 0.00 ATOM 256 O LYS 31 -8.247 -12.265 -10.714 1.00 0.00 ATOM 257 C LYS 31 -8.825 -12.762 -11.680 1.00 0.00 ATOM 258 N PHE 32 -8.601 -12.375 -12.941 1.00 0.00 ATOM 259 CA PHE 32 -7.622 -11.349 -13.268 1.00 0.00 ATOM 260 CB PHE 32 -7.332 -11.255 -14.723 1.00 0.00 ATOM 261 CG PHE 32 -6.548 -12.431 -15.215 1.00 0.00 ATOM 262 CD1 PHE 32 -5.338 -12.788 -14.624 1.00 0.00 ATOM 263 CD2 PHE 32 -7.008 -13.192 -16.280 1.00 0.00 ATOM 264 CE1 PHE 32 -4.626 -13.875 -15.067 1.00 0.00 ATOM 265 CE2 PHE 32 -6.302 -14.286 -16.712 1.00 0.00 ATOM 266 CZ PHE 32 -5.107 -14.624 -16.134 1.00 0.00 ATOM 267 O PHE 32 -7.242 -9.240 -12.197 1.00 0.00 ATOM 268 C PHE 32 -8.080 -10.013 -12.664 1.00 0.00 ATOM 269 N GLU 33 -9.382 -9.721 -12.672 1.00 0.00 ATOM 270 CA GLU 33 -9.883 -8.493 -12.067 1.00 0.00 ATOM 271 CB GLU 33 -11.376 -8.322 -12.358 1.00 0.00 ATOM 272 CG GLU 33 -11.697 -7.973 -13.804 1.00 0.00 ATOM 273 CD GLU 33 -11.244 -6.581 -14.145 1.00 0.00 ATOM 274 OE1 GLU 33 -11.601 -5.671 -13.435 1.00 0.00 ATOM 275 OE2 GLU 33 -10.452 -6.438 -15.046 1.00 0.00 ATOM 276 O GLU 33 -9.272 -7.392 -10.020 1.00 0.00 ATOM 277 C GLU 33 -9.660 -8.432 -10.554 1.00 0.00 ATOM 278 N SER 34 -9.925 -9.540 -9.863 1.00 0.00 ATOM 279 CA SER 34 -9.748 -9.581 -8.414 1.00 0.00 ATOM 280 CB SER 34 -10.237 -10.907 -7.866 1.00 0.00 ATOM 281 OG SER 34 -11.621 -11.063 -8.022 1.00 0.00 ATOM 282 O SER 34 -7.947 -8.642 -7.097 1.00 0.00 ATOM 283 C SER 34 -8.276 -9.348 -8.058 1.00 0.00 ATOM 284 N MET 35 -7.387 -9.927 -8.847 1.00 0.00 ATOM 285 CA MET 35 -5.956 -9.799 -8.610 1.00 0.00 ATOM 286 CB MET 35 -5.183 -10.730 -9.541 1.00 0.00 ATOM 287 CG MET 35 -5.355 -12.211 -9.237 1.00 0.00 ATOM 288 SD MET 35 -4.796 -12.651 -7.579 1.00 0.00 ATOM 289 CE MET 35 -3.029 -12.413 -7.744 1.00 0.00 ATOM 290 O MET 35 -4.589 -7.905 -8.063 1.00 0.00 ATOM 291 C MET 35 -5.466 -8.360 -8.794 1.00 0.00 ATOM 292 N ILE 36 -6.038 -7.641 -9.756 1.00 0.00 ATOM 293 CA ILE 36 -5.649 -6.250 -9.985 1.00 0.00 ATOM 294 CB ILE 36 -6.252 -5.703 -11.291 1.00 0.00 ATOM 295 CG1 ILE 36 -7.778 -5.823 -11.266 1.00 0.00 ATOM 296 CG2 ILE 36 -5.677 -6.437 -12.492 1.00 0.00 ATOM 297 CD1 ILE 36 -8.473 -5.003 -12.329 1.00 0.00 ATOM 298 O ILE 36 -5.453 -4.462 -8.416 1.00 0.00 ATOM 299 C ILE 36 -6.107 -5.428 -8.796 1.00 0.00 ATOM 300 N ASN 37 -7.209 -5.865 -8.318 1.00 0.00 ATOM 301 CA ASN 37 -7.733 -5.161 -7.166 1.00 0.00 ATOM 302 CB ASN 37 -9.118 -5.658 -6.792 1.00 0.00 ATOM 303 CG ASN 37 -10.187 -5.261 -7.771 1.00 0.00 ATOM 304 ND2 ASN 37 -10.887 -6.246 -8.272 1.00 0.00 ATOM 305 OD1 ASN 37 -10.425 -4.072 -8.013 1.00 0.00 ATOM 306 O ASN 37 -7.005 -4.828 -4.903 1.00 0.00 ATOM 307 C ASN 37 -6.747 -5.315 -6.002 1.00 0.00 ATOM 308 N SER 38 -5.591 -6.040 -6.280 1.00 0.00 ATOM 309 CA SER 38 -4.592 -6.255 -5.236 1.00 0.00 ATOM 310 CB SER 38 -3.492 -7.165 -5.746 1.00 0.00 ATOM 311 OG SER 38 -2.473 -7.340 -4.800 1.00 0.00 ATOM 312 O SER 38 -3.638 -4.068 -5.488 1.00 0.00 ATOM 313 C SER 38 -3.972 -4.962 -4.716 1.00 0.00 ATOM 314 N PRO 39 -3.765 -4.893 -3.405 1.00 0.00 ATOM 315 CA PRO 39 -3.170 -3.710 -2.793 1.00 0.00 ATOM 316 CB PRO 39 -3.220 -3.964 -1.322 1.00 0.00 ATOM 317 CG PRO 39 -3.274 -5.452 -1.183 1.00 0.00 ATOM 318 CD PRO 39 -4.094 -5.935 -2.350 1.00 0.00 ATOM 319 O PRO 39 -1.149 -2.514 -3.282 1.00 0.00 ATOM 320 C PRO 39 -1.720 -3.605 -3.263 1.00 0.00 ATOM 321 N SER 40 -1.029 -4.756 -3.658 1.00 0.00 ATOM 322 CA SER 40 0.361 -4.750 -4.111 1.00 0.00 ATOM 323 CB SER 40 0.881 -6.170 -4.218 1.00 0.00 ATOM 324 OG SER 40 2.195 -6.215 -4.702 1.00 0.00 ATOM 325 O SER 40 -0.105 -4.371 -6.429 1.00 0.00 ATOM 326 C SER 40 0.534 -4.036 -5.450 1.00 0.00 ATOM 327 N LYS 41 1.450 -3.068 -5.480 1.00 0.00 ATOM 328 CA LYS 41 1.773 -2.382 -6.735 1.00 0.00 ATOM 329 CB LYS 41 2.711 -1.202 -6.475 1.00 0.00 ATOM 330 CG LYS 41 3.068 -0.397 -7.717 1.00 0.00 ATOM 331 CD LYS 41 3.938 0.802 -7.369 1.00 0.00 ATOM 332 CE LYS 41 4.327 1.585 -8.614 1.00 0.00 ATOM 333 NZ LYS 41 5.207 2.742 -8.292 1.00 0.00 ATOM 334 O LYS 41 2.090 -3.277 -8.967 1.00 0.00 ATOM 335 C LYS 41 2.409 -3.348 -7.756 1.00 0.00 ATOM 336 N SER 42 3.399 -4.120 -7.325 1.00 0.00 ATOM 337 CA SER 42 4.101 -5.067 -8.213 1.00 0.00 ATOM 338 CB SER 42 5.226 -5.751 -7.462 1.00 0.00 ATOM 339 OG SER 42 6.240 -4.854 -7.100 1.00 0.00 ATOM 340 O SER 42 3.148 -6.401 -9.962 1.00 0.00 ATOM 341 C SER 42 3.127 -6.082 -8.769 1.00 0.00 ATOM 342 N VAL 43 2.266 -6.616 -7.902 1.00 0.00 ATOM 343 CA VAL 43 1.267 -7.580 -8.343 1.00 0.00 ATOM 344 CB VAL 43 0.454 -8.133 -7.157 1.00 0.00 ATOM 345 CG1 VAL 43 -0.706 -8.982 -7.657 1.00 0.00 ATOM 346 CG2 VAL 43 1.346 -8.945 -6.231 1.00 0.00 ATOM 347 O VAL 43 -0.007 -7.527 -10.375 1.00 0.00 ATOM 348 C VAL 43 0.331 -6.943 -9.348 1.00 0.00 ATOM 349 N PHE 44 -0.148 -5.740 -9.062 1.00 0.00 ATOM 350 CA PHE 44 -1.100 -5.078 -9.944 1.00 0.00 ATOM 351 CB PHE 44 -1.553 -3.748 -9.339 1.00 0.00 ATOM 352 CG PHE 44 -2.637 -3.064 -10.123 1.00 0.00 ATOM 353 CD1 PHE 44 -3.464 -3.788 -10.969 1.00 0.00 ATOM 354 CD2 PHE 44 -2.830 -1.695 -10.017 1.00 0.00 ATOM 355 CE1 PHE 44 -4.460 -3.160 -11.691 1.00 0.00 ATOM 356 CE2 PHE 44 -3.827 -1.064 -10.736 1.00 0.00 ATOM 357 CZ PHE 44 -4.643 -1.798 -11.574 1.00 0.00 ATOM 358 O PHE 44 -1.171 -5.059 -12.354 1.00 0.00 ATOM 359 C PHE 44 -0.511 -4.841 -11.337 1.00 0.00 ATOM 360 N VAL 45 0.717 -4.371 -11.374 1.00 0.00 ATOM 361 CA VAL 45 1.374 -4.107 -12.642 1.00 0.00 ATOM 362 CB VAL 45 2.749 -3.444 -12.438 1.00 0.00 ATOM 363 CG1 VAL 45 3.499 -3.356 -13.760 1.00 0.00 ATOM 364 CG2 VAL 45 2.589 -2.061 -11.825 1.00 0.00 ATOM 365 O VAL 45 1.298 -5.414 -14.650 1.00 0.00 ATOM 366 C VAL 45 1.549 -5.392 -13.443 1.00 0.00 ATOM 367 N ARG 46 2.017 -6.404 -12.786 1.00 0.00 ATOM 368 CA ARG 46 2.220 -7.676 -13.471 1.00 0.00 ATOM 369 CB ARG 46 2.890 -8.709 -12.577 1.00 0.00 ATOM 370 CG ARG 46 4.354 -8.437 -12.271 1.00 0.00 ATOM 371 CD ARG 46 4.977 -9.413 -11.341 1.00 0.00 ATOM 372 NE ARG 46 6.370 -9.139 -11.025 1.00 0.00 ATOM 373 CZ ARG 46 7.107 -9.842 -10.144 1.00 0.00 ATOM 374 NH1 ARG 46 6.582 -10.836 -9.462 1.00 0.00 ATOM 375 NH2 ARG 46 8.369 -9.491 -9.964 1.00 0.00 ATOM 376 O ARG 46 0.911 -8.806 -15.136 1.00 0.00 ATOM 377 C ARG 46 0.916 -8.213 -14.055 1.00 0.00 ATOM 378 N ASN 47 -0.170 -8.029 -13.309 1.00 0.00 ATOM 379 CA ASN 47 -1.461 -8.512 -13.781 1.00 0.00 ATOM 380 CB ASN 47 -2.532 -8.360 -12.716 1.00 0.00 ATOM 381 CG ASN 47 -2.310 -9.223 -11.505 1.00 0.00 ATOM 382 ND2 ASN 47 -2.815 -8.768 -10.388 1.00 0.00 ATOM 383 OD1 ASN 47 -1.752 -10.323 -11.596 1.00 0.00 ATOM 384 O ASN 47 -2.473 -8.359 -15.979 1.00 0.00 ATOM 385 C ASN 47 -1.869 -7.779 -15.072 1.00 0.00 ATOM 386 N LEU 48 -1.767 -6.460 -15.050 1.00 0.00 ATOM 387 CA LEU 48 -2.098 -5.698 -16.225 1.00 0.00 ATOM 388 CB LEU 48 -1.909 -4.196 -15.941 1.00 0.00 ATOM 389 CG LEU 48 -2.899 -3.559 -14.961 1.00 0.00 ATOM 390 CD1 LEU 48 -2.516 -2.105 -14.713 1.00 0.00 ATOM 391 CD2 LEU 48 -4.334 -3.654 -15.423 1.00 0.00 ATOM 392 O LEU 48 -1.754 -6.161 -18.573 1.00 0.00 ATOM 393 C LEU 48 -1.273 -6.105 -17.431 1.00 0.00 ATOM 394 N ASN 49 0.030 -6.355 -17.184 1.00 0.00 ATOM 395 CA ASN 49 0.907 -6.816 -18.259 1.00 0.00 ATOM 396 CB ASN 49 2.342 -6.954 -17.784 1.00 0.00 ATOM 397 CG ASN 49 3.037 -5.638 -17.569 1.00 0.00 ATOM 398 ND2 ASN 49 4.142 -5.691 -16.870 1.00 0.00 ATOM 399 OD1 ASN 49 2.619 -4.599 -18.093 1.00 0.00 ATOM 400 O ASN 49 0.489 -8.323 -20.083 1.00 0.00 ATOM 401 C ASN 49 0.457 -8.113 -18.859 1.00 0.00 ATOM 402 N GLU 50 0.113 -9.013 -17.955 1.00 0.00 ATOM 403 CA GLU 50 -0.340 -10.296 -18.395 1.00 0.00 ATOM 404 CB GLU 50 -0.549 -11.229 -17.200 1.00 0.00 ATOM 405 CG GLU 50 -0.978 -12.641 -17.573 1.00 0.00 ATOM 406 CD GLU 50 -1.119 -13.509 -16.353 1.00 0.00 ATOM 407 OE1 GLU 50 -0.880 -13.025 -15.273 1.00 0.00 ATOM 408 OE2 GLU 50 -1.573 -14.620 -16.489 1.00 0.00 ATOM 409 O GLU 50 -1.805 -11.005 -20.149 1.00 0.00 ATOM 410 C GLU 50 -1.629 -10.236 -19.208 1.00 0.00 ATOM 411 N LEU 51 -2.559 -9.481 -18.731 1.00 0.00 ATOM 412 CA LEU 51 -3.833 -9.357 -19.429 1.00 0.00 ATOM 413 CB LEU 51 -4.788 -8.459 -18.634 1.00 0.00 ATOM 414 CG LEU 51 -5.455 -9.125 -17.423 1.00 0.00 ATOM 415 CD1 LEU 51 -6.058 -8.065 -16.511 1.00 0.00 ATOM 416 CD2 LEU 51 -6.523 -10.096 -17.901 1.00 0.00 ATOM 417 O LEU 51 -4.263 -9.271 -21.784 1.00 0.00 ATOM 418 C LEU 51 -3.629 -8.809 -20.835 1.00 0.00 ATOM 419 N GLU 52 -2.793 -7.791 -20.955 1.00 0.00 ATOM 420 CA GLU 52 -2.535 -7.197 -22.259 1.00 0.00 ATOM 421 CB GLU 52 -1.610 -5.987 -22.123 1.00 0.00 ATOM 422 CG GLU 52 -1.323 -5.264 -23.432 1.00 0.00 ATOM 423 CD GLU 52 -0.443 -4.064 -23.213 1.00 0.00 ATOM 424 OE1 GLU 52 -0.090 -3.809 -22.086 1.00 0.00 ATOM 425 OE2 GLU 52 -0.032 -3.470 -24.181 1.00 0.00 ATOM 426 O GLU 52 -2.329 -8.367 -24.323 1.00 0.00 ATOM 427 C GLU 52 -1.930 -8.259 -23.175 1.00 0.00 ATOM 428 N ALA 53 -0.946 -9.001 -22.678 1.00 0.00 ATOM 429 CA ALA 53 -0.303 -10.006 -23.527 1.00 0.00 ATOM 430 CB ALA 53 0.892 -10.627 -22.774 1.00 0.00 ATOM 431 O ALA 53 -1.330 -11.519 -25.106 1.00 0.00 ATOM 432 C ALA 53 -1.301 -11.073 -23.953 1.00 0.00 ATOM 433 N LEU 54 -2.179 -11.463 -23.049 1.00 0.00 ATOM 434 CA LEU 54 -3.175 -12.465 -23.379 1.00 0.00 ATOM 435 CB LEU 54 -3.964 -12.862 -22.125 1.00 0.00 ATOM 436 CG LEU 54 -3.173 -13.659 -21.080 1.00 0.00 ATOM 437 CD1 LEU 54 -4.002 -13.827 -19.815 1.00 0.00 ATOM 438 CD2 LEU 54 -2.788 -15.013 -21.659 1.00 0.00 ATOM 439 O LEU 54 -4.528 -12.681 -25.367 1.00 0.00 ATOM 440 C LEU 54 -4.109 -11.953 -24.461 1.00 0.00 ATOM 441 N ALA 55 -4.552 -10.713 -24.300 1.00 0.00 ATOM 442 CA ALA 55 -5.473 -10.143 -25.262 1.00 0.00 ATOM 443 CB ALA 55 -5.948 -8.730 -24.813 1.00 0.00 ATOM 444 O ALA 55 -5.440 -10.317 -27.664 1.00 0.00 ATOM 445 C ALA 55 -4.807 -10.132 -26.636 1.00 0.00 ATOM 446 N VAL 56 -3.558 -9.728 -26.631 1.00 0.00 ATOM 447 CA VAL 56 -2.830 -9.599 -27.877 1.00 0.00 ATOM 448 CB VAL 56 -1.388 -9.034 -27.602 1.00 0.00 ATOM 449 CG1 VAL 56 -0.529 -9.104 -28.883 1.00 0.00 ATOM 450 CG2 VAL 56 -1.460 -7.594 -27.105 1.00 0.00 ATOM 451 O VAL 56 -2.971 -10.999 -29.782 1.00 0.00 ATOM 452 C VAL 56 -2.769 -10.933 -28.601 1.00 0.00 ATOM 453 N ARG 57 -2.562 -12.013 -27.874 1.00 0.00 ATOM 454 CA ARG 57 -2.473 -13.310 -28.492 1.00 0.00 ATOM 455 CB ARG 57 -2.002 -14.379 -27.517 1.00 0.00 ATOM 456 CG ARG 57 -0.540 -14.275 -27.111 1.00 0.00 ATOM 457 CD ARG 57 -0.113 -15.275 -26.100 1.00 0.00 ATOM 458 NE ARG 57 1.280 -15.167 -25.695 1.00 0.00 ATOM 459 CZ ARG 57 1.852 -15.898 -24.720 1.00 0.00 ATOM 460 NH1 ARG 57 1.151 -16.763 -24.021 1.00 0.00 ATOM 461 NH2 ARG 57 3.136 -15.705 -24.466 1.00 0.00 ATOM 462 O ARG 57 -3.753 -14.478 -30.072 1.00 0.00 ATOM 463 C ARG 57 -3.756 -13.699 -29.139 1.00 0.00 ATOM 464 N LEU 58 -4.855 -13.265 -28.554 1.00 0.00 ATOM 465 CA LEU 58 -6.166 -13.598 -29.067 1.00 0.00 ATOM 466 CB LEU 58 -7.222 -13.465 -27.968 1.00 0.00 ATOM 467 CG LEU 58 -7.084 -14.417 -26.778 1.00 0.00 ATOM 468 CD1 LEU 58 -8.127 -14.107 -25.715 1.00 0.00 ATOM 469 CD2 LEU 58 -7.271 -15.861 -27.219 1.00 0.00 ATOM 470 O LEU 58 -7.634 -12.806 -30.719 1.00 0.00 ATOM 471 C LEU 58 -6.548 -12.685 -30.196 1.00 0.00 ATOM 472 N GLY 59 -5.772 -11.626 -30.370 1.00 0.00 ATOM 473 CA GLY 59 -6.076 -10.632 -31.372 1.00 0.00 ATOM 474 O GLY 59 -7.720 -8.913 -31.692 1.00 0.00 ATOM 475 C GLY 59 -7.036 -9.563 -30.887 1.00 0.00 ATOM 476 N LYS 60 -7.051 -9.311 -29.520 1.00 0.00 ATOM 477 CA LYS 60 -7.881 -8.243 -28.950 1.00 0.00 ATOM 478 CB LYS 60 -8.934 -8.828 -28.007 1.00 0.00 ATOM 479 CG LYS 60 -9.958 -9.726 -28.688 1.00 0.00 ATOM 480 CD LYS 60 -10.874 -8.925 -29.603 1.00 0.00 ATOM 481 CE LYS 60 -11.781 -7.998 -28.807 1.00 0.00 ATOM 482 NZ LYS 60 -12.687 -7.213 -29.690 1.00 0.00 ATOM 483 O LYS 60 -6.222 -7.422 -27.417 1.00 0.00 ATOM 484 C LYS 60 -7.149 -7.148 -28.182 1.00 0.00 ATOM 485 N SER 61 -7.607 -5.849 -28.389 1.00 0.00 ATOM 486 CA SER 61 -6.998 -4.726 -27.684 1.00 0.00 ATOM 487 CB SER 61 -7.519 -3.429 -28.258 1.00 0.00 ATOM 488 OG SER 61 -6.977 -2.369 -27.514 1.00 0.00 ATOM 489 O SER 61 -8.551 -4.457 -25.893 1.00 0.00 ATOM 490 C SER 61 -7.376 -4.647 -26.191 1.00 0.00 ATOM 491 N TYR 62 -6.445 -4.850 -25.288 1.00 0.00 ATOM 492 CA TYR 62 -6.765 -4.818 -23.866 1.00 0.00 ATOM 493 CB TYR 62 -5.527 -5.154 -23.031 1.00 0.00 ATOM 494 CG TYR 62 -5.699 -4.899 -21.550 1.00 0.00 ATOM 495 CD1 TYR 62 -6.611 -5.629 -20.802 1.00 0.00 ATOM 496 CD2 TYR 62 -4.948 -3.929 -20.904 1.00 0.00 ATOM 497 CE1 TYR 62 -6.772 -5.400 -19.450 1.00 0.00 ATOM 498 CE2 TYR 62 -5.100 -3.691 -19.552 1.00 0.00 ATOM 499 CZ TYR 62 -6.014 -4.429 -18.828 1.00 0.00 ATOM 500 OH TYR 62 -6.168 -4.197 -17.480 1.00 0.00 ATOM 501 O TYR 62 -8.147 -3.413 -22.522 1.00 0.00 ATOM 502 C TYR 62 -7.319 -3.477 -23.423 1.00 0.00 ATOM 503 N ARG 63 -6.797 -2.402 -23.999 1.00 0.00 ATOM 504 CA ARG 63 -7.242 -1.056 -23.661 1.00 0.00 ATOM 505 CB ARG 63 -6.407 0.014 -24.347 1.00 0.00 ATOM 506 CG ARG 63 -4.988 0.156 -23.819 1.00 0.00 ATOM 507 CD ARG 63 -4.166 1.165 -24.533 1.00 0.00 ATOM 508 NE ARG 63 -2.798 1.276 -24.056 1.00 0.00 ATOM 509 CZ ARG 63 -1.861 2.078 -24.597 1.00 0.00 ATOM 510 NH1 ARG 63 -2.126 2.813 -25.654 1.00 0.00 ATOM 511 NH2 ARG 63 -0.657 2.089 -24.050 1.00 0.00 ATOM 512 O ARG 63 -9.484 -0.382 -23.111 1.00 0.00 ATOM 513 C ARG 63 -8.730 -0.888 -23.958 1.00 0.00 ATOM 514 N ILE 64 -9.146 -1.365 -25.163 1.00 0.00 ATOM 515 CA ILE 64 -10.551 -1.263 -25.562 1.00 0.00 ATOM 516 CB ILE 64 -10.760 -1.720 -27.017 1.00 0.00 ATOM 517 CG1 ILE 64 -10.086 -0.744 -27.985 1.00 0.00 ATOM 518 CG2 ILE 64 -12.244 -1.843 -27.328 1.00 0.00 ATOM 519 CD1 ILE 64 -10.009 -1.250 -29.408 1.00 0.00 ATOM 520 O ILE 64 -12.522 -1.695 -24.274 1.00 0.00 ATOM 521 C ILE 64 -11.412 -2.098 -24.630 1.00 0.00 ATOM 522 N GLN 65 -10.965 -3.319 -24.353 1.00 0.00 ATOM 523 CA GLN 65 -11.696 -4.213 -23.467 1.00 0.00 ATOM 524 CB GLN 65 -11.008 -5.578 -23.396 1.00 0.00 ATOM 525 CG GLN 65 -11.109 -6.394 -24.673 1.00 0.00 ATOM 526 CD GLN 65 -10.674 -7.834 -24.477 1.00 0.00 ATOM 527 OE1 GLN 65 -9.483 -8.123 -24.338 1.00 0.00 ATOM 528 NE2 GLN 65 -11.639 -8.747 -24.468 1.00 0.00 ATOM 529 O GLN 65 -12.923 -3.646 -21.470 1.00 0.00 ATOM 530 C GLN 65 -11.839 -3.658 -22.052 1.00 0.00 ATOM 531 N LEU 66 -10.780 -3.050 -21.545 1.00 0.00 ATOM 532 CA LEU 66 -10.814 -2.425 -20.226 1.00 0.00 ATOM 533 CB LEU 66 -9.406 -1.976 -19.816 1.00 0.00 ATOM 534 CG LEU 66 -9.308 -1.317 -18.434 1.00 0.00 ATOM 535 CD1 LEU 66 -9.751 -2.296 -17.356 1.00 0.00 ATOM 536 CD2 LEU 66 -7.879 -0.857 -18.190 1.00 0.00 ATOM 537 O LEU 66 -12.542 -1.170 -19.236 1.00 0.00 ATOM 538 C LEU 66 -11.764 -1.259 -20.203 1.00 0.00 ATOM 539 N ASP 67 -11.804 -0.427 -21.221 1.00 0.00 ATOM 540 CA ASP 67 -12.679 0.738 -21.262 1.00 0.00 ATOM 541 CB ASP 67 -12.342 1.620 -22.466 1.00 0.00 ATOM 542 CG ASP 67 -11.037 2.395 -22.334 1.00 0.00 ATOM 543 OD1 ASP 67 -10.511 2.450 -21.248 1.00 0.00 ATOM 544 OD2 ASP 67 -10.499 2.790 -23.340 1.00 0.00 ATOM 545 O ASP 67 -14.890 0.853 -20.538 1.00 0.00 ATOM 546 C ASP 67 -14.144 0.241 -21.310 1.00 0.00 ATOM 547 N GLN 68 -14.391 -0.732 -22.074 1.00 0.00 ATOM 548 CA GLN 68 -15.748 -1.221 -22.116 1.00 0.00 ATOM 549 CB GLN 68 -15.901 -2.290 -23.202 1.00 0.00 ATOM 550 CG GLN 68 -15.815 -1.751 -24.621 1.00 0.00 ATOM 551 CD GLN 68 -15.858 -2.854 -25.661 1.00 0.00 ATOM 552 OE1 GLN 68 -15.857 -4.042 -25.328 1.00 0.00 ATOM 553 NE2 GLN 68 -15.891 -2.466 -26.931 1.00 0.00 ATOM 554 O GLN 68 -17.247 -1.579 -20.295 1.00 0.00 ATOM 555 C GLN 68 -16.112 -1.782 -20.741 1.00 0.00 ATOM 556 N ALA 69 -15.222 -2.480 -20.065 1.00 0.00 ATOM 557 CA ALA 69 -15.511 -3.008 -18.718 1.00 0.00 ATOM 558 CB ALA 69 -14.333 -3.733 -18.167 1.00 0.00 ATOM 559 O ALA 69 -16.573 -2.031 -16.801 1.00 0.00 ATOM 560 C ALA 69 -15.785 -1.870 -17.734 1.00 0.00 ATOM 561 N LYS 70 -15.000 -0.797 -17.834 1.00 0.00 ATOM 562 CA LYS 70 -15.198 0.348 -16.956 1.00 0.00 ATOM 563 CB LYS 70 -14.188 1.458 -17.246 1.00 0.00 ATOM 564 CG LYS 70 -12.763 1.128 -16.829 1.00 0.00 ATOM 565 CD LYS 70 -11.815 2.273 -17.144 1.00 0.00 ATOM 566 CE LYS 70 -10.387 1.931 -16.750 1.00 0.00 ATOM 567 NZ LYS 70 -9.442 3.032 -17.083 1.00 0.00 ATOM 568 O LYS 70 -17.280 1.285 -16.236 1.00 0.00 ATOM 569 C LYS 70 -16.605 0.878 -17.179 1.00 0.00 ATOM 570 N GLU 71 -16.999 0.967 -18.444 1.00 0.00 ATOM 571 CA GLU 71 -18.326 1.452 -18.802 1.00 0.00 ATOM 572 CB GLU 71 -18.467 1.555 -20.323 1.00 0.00 ATOM 573 CG GLU 71 -17.652 2.675 -20.955 1.00 0.00 ATOM 574 CD GLU 71 -17.741 2.636 -22.455 1.00 0.00 ATOM 575 OE1 GLU 71 -18.350 1.730 -22.971 1.00 0.00 ATOM 576 OE2 GLU 71 -17.298 3.569 -23.081 1.00 0.00 ATOM 577 O GLU 71 -20.342 0.977 -17.587 1.00 0.00 ATOM 578 C GLU 71 -19.387 0.525 -18.220 1.00 0.00 ATOM 579 N LYS 72 -19.135 -0.776 -18.304 1.00 0.00 ATOM 580 CA LYS 72 -20.067 -1.753 -17.771 1.00 0.00 ATOM 581 CB LYS 72 -19.647 -3.168 -18.173 1.00 0.00 ATOM 582 CG LYS 72 -19.853 -3.490 -19.648 1.00 0.00 ATOM 583 CD LYS 72 -19.430 -4.917 -19.966 1.00 0.00 ATOM 584 CE LYS 72 -19.583 -5.222 -21.449 1.00 0.00 ATOM 585 NZ LYS 72 -21.010 -5.234 -21.871 1.00 0.00 ATOM 586 O LYS 72 -21.248 -1.568 -15.676 1.00 0.00 ATOM 587 C LYS 72 -20.151 -1.628 -16.253 1.00 0.00 ATOM 588 N TRP 73 -19.008 -1.534 -15.570 1.00 0.00 ATOM 589 CA TRP 73 -19.013 -1.451 -14.119 1.00 0.00 ATOM 590 CB TRP 73 -17.578 -1.491 -13.588 1.00 0.00 ATOM 591 CG TRP 73 -17.490 -1.421 -12.093 1.00 0.00 ATOM 592 CD1 TRP 73 -17.577 -2.464 -11.218 1.00 0.00 ATOM 593 CD2 TRP 73 -17.298 -0.244 -11.300 1.00 0.00 ATOM 594 CE2 TRP 73 -17.276 -0.651 -9.950 1.00 0.00 ATOM 595 CE3 TRP 73 -17.139 1.112 -11.596 1.00 0.00 ATOM 596 NE1 TRP 73 -17.450 -2.014 -9.928 1.00 0.00 ATOM 597 CZ2 TRP 73 -17.105 0.250 -8.903 1.00 0.00 ATOM 598 CZ3 TRP 73 -16.969 2.002 -10.552 1.00 0.00 ATOM 599 CH2 TRP 73 -16.954 1.571 -9.221 1.00 0.00 ATOM 600 O TRP 73 -20.389 -0.087 -12.690 1.00 0.00 ATOM 601 C TRP 73 -19.674 -0.134 -13.697 1.00 0.00 ATOM 602 N LYS 74 -19.320 0.965 -14.359 1.00 0.00 ATOM 603 CA LYS 74 -19.869 2.275 -13.996 1.00 0.00 ATOM 604 CB LYS 74 -19.221 3.359 -14.862 1.00 0.00 ATOM 605 CG LYS 74 -17.772 3.650 -14.512 1.00 0.00 ATOM 606 CD LYS 74 -17.194 4.733 -15.408 1.00 0.00 ATOM 607 CE LYS 74 -15.735 5.001 -15.079 1.00 0.00 ATOM 608 NZ LYS 74 -15.147 6.045 -15.964 1.00 0.00 ATOM 609 O LYS 74 -22.125 2.804 -13.375 1.00 0.00 ATOM 610 C LYS 74 -21.383 2.252 -14.186 1.00 0.00 ATOM 611 N VAL 75 -21.853 1.626 -15.272 1.00 0.00 ATOM 612 CA VAL 75 -23.284 1.532 -15.539 1.00 0.00 ATOM 613 CB VAL 75 -23.563 0.889 -16.910 1.00 0.00 ATOM 614 CG1 VAL 75 -25.051 0.623 -17.082 1.00 0.00 ATOM 615 CG2 VAL 75 -23.050 1.779 -18.031 1.00 0.00 ATOM 616 O VAL 75 -25.019 1.142 -13.924 1.00 0.00 ATOM 617 C VAL 75 -23.986 0.724 -14.450 1.00 0.00 ATOM 618 N LYS 76 -23.412 -0.426 -14.114 1.00 0.00 ATOM 619 CA LYS 76 -24.007 -1.276 -13.083 1.00 0.00 ATOM 620 CB LYS 76 -24.616 -2.531 -13.710 1.00 0.00 ATOM 621 CG LYS 76 -25.799 -2.263 -14.631 1.00 0.00 ATOM 622 CD LYS 76 -26.379 -3.558 -15.179 1.00 0.00 ATOM 623 CE LYS 76 -27.509 -3.289 -16.161 1.00 0.00 ATOM 624 NZ LYS 76 -28.084 -4.548 -16.708 1.00 0.00 ATOM 625 O LYS 76 -23.437 -2.412 -11.044 1.00 0.00 ATOM 626 C LYS 76 -23.041 -1.713 -11.980 1.00 0.00 TER END