REMARK BEGIN ROSETTA INFO REMARK MultiState Fitness: -.330 REMARK MultiState Sequence: AA:3:E REMARK loop: A-1>A-1>A-6 REMARK loop: A-48>A-50>A-58 REMARK MultiState Fitness: -.295 REMARK MultiState Sequence: AA:3:E AA:52:C AA:55:I REMARK SeqScore(bound): B.7.ADE,C.11.THY = -290.043 REMARK SeqScore(bound): B.7.CYT,C.11.GUA = -286.616 REMARK SeqScore(bound): B.7.GUA,C.11.CYT = -288.556 REMARK SeqScore(bound): B.7.THY,C.11.ADE = -282.566 REMARK SeqScore(binding): B.7.ADE,C.11.THY = -23.820 REMARK SeqScore(binding): B.7.CYT,C.11.GUA = -24.343 REMARK SeqScore(binding): B.7.GUA,C.11.CYT = -24.214 REMARK SeqScore(binding): B.7.THY,C.11.ADE = -23.040 REMARK Specificities(bound): B.7.GUA = 0.077 REMARK Specificities(binding): B.7.GUA = 0.345 REMARK Binding energy: -24.214 REMARK Non-zero ScoreFunction weights: REMARK fa_atr 0.9477 REMARK fa_rep 0.5772 REMARK fa_sol 0.5074 REMARK pro_close 1.0000 REMARK hbond_sr_bb 2.8025 REMARK hbond_lr_bb 2.8025 REMARK hbond_bb_sc 2.8025 REMARK hbond_sc 1.5962 REMARK dslf_ss_dst 0.5000 REMARK dslf_cs_ang 2.0000 REMARK dslf_ss_dih 5.0000 REMARK dslf_ca_dih 5.0000 REMARK fa_dun 0.6823 REMARK p_aa_pp 0.6121 REMARK ref 1.0000 REMARK res_type_constra 1.0000 REMARK REMARK Weighted per-residue energies REMARK pdbtypech fa_atr fa_rep fa_sol pro_closehbond_sr_bhbond_lr_bhbond_bb_s hbond_scdslf_ss_dsdslf_cs_andslf_ss_didslf_ca_di fa_dun p_aa_pp refres_type_c REMARK 1 THR A -0.695 0.010 0.279 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.095 0.000 -1.184 0.000 REMARK 2 LYS A -2.264 0.084 1.310 0.000 0.000 0.000 -0.267 0.000 0.000 0.000 0.000 0.000 1.119 -0.019 -1.538 0.000 REMARK 3 GLU A -4.046 0.085 2.933 0.000 0.000 0.000 0.000 -0.362 0.000 0.000 0.000 0.000 2.317 0.019 1.618 0.000 REMARK 4 GLN A -2.379 0.070 1.299 0.000 0.000 0.000 -0.267 0.000 0.000 0.000 0.000 0.000 2.608 0.234 -0.208 0.000 REMARK 5 ARG A -4.218 0.026 2.439 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 3.032 -0.008 9.937 0.000 REMARK 6 THR A -3.622 0.683 1.838 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.048 0.033 -1.184 0.000 REMARK 7 SER A -1.616 0.158 0.594 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.259 0.471 -2.594 0.000 REMARK 8 TYR A -7.384 0.450 2.070 0.000 0.000 0.000 0.000 -0.394 0.000 0.000 0.000 0.000 3.663 0.004 0.210 0.000 REMARK 9 THR A -4.165 0.277 2.604 0.000 0.000 0.000 -2.978 0.000 0.000 0.000 0.000 0.000 0.033 -0.238 -1.184 0.000 REMARK 10 ARG A -2.627 0.101 1.452 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.915 -0.146 9.937 0.000 REMARK 11 TYR A -5.110 0.339 2.085 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.550 -0.131 0.210 0.000 REMARK 12 GLN A -8.663 0.895 3.284 0.000 0.000 0.000 -4.282 0.000 0.000 0.000 0.000 0.000 2.455 0.155 -0.208 0.000 REMARK 13 THR A -4.577 0.155 2.445 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.045 0.034 -1.184 0.000 REMARK 14 LEU A -4.606 0.190 2.281 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.493 -0.213 -1.266 0.000 REMARK 15 GLU A -6.064 0.370 2.867 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.655 -0.337 1.618 0.000 REMARK 16 LEU A -8.699 1.123 1.133 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.599 -0.242 -1.266 0.000 REMARK 17 GLU A -4.698 0.172 2.369 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.914 -0.278 1.618 0.000 REMARK 19 GLU A -6.672 0.868 3.392 0.000 0.000 0.000 0.000 -1.196 0.000 0.000 0.000 0.000 3.205 -0.238 1.618 0.000 REMARK 20 PHE A -9.493 0.909 1.985 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.003 0.273 0.104 0.000 REMARK 24 ARG A -7.716 0.608 2.506 0.000 0.000 0.000 -0.753 0.000 0.000 0.000 0.000 0.000 2.996 -0.082 9.937 0.000 REMARK 25 TYR A -5.473 0.552 2.088 0.000 0.000 0.000 0.000 -0.188 0.000 0.000 0.000 0.000 1.352 -0.143 0.210 0.000 REMARK 26 LEU A -5.466 0.738 0.115 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.156 -0.310 -1.266 0.000 REMARK 31 ARG A -9.616 0.558 4.635 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.391 -0.105 9.937 0.000 REMARK 34 ILE A -7.949 1.190 1.495 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.476 -0.399 -1.817 0.000 REMARK 38 LEU A -7.217 0.885 0.976 0.000 0.000 0.000 -1.303 0.000 0.000 0.000 0.000 0.000 0.163 -0.078 -1.266 0.000 REMARK 39 SER A -2.080 0.172 1.272 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.100 0.178 -2.594 0.000 REMARK 40 LEU A -7.010 0.722 0.996 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.314 0.101 -1.266 0.000 REMARK 41 THR A -4.823 0.462 2.589 0.000 0.000 0.000 -3.695 0.000 0.000 0.000 0.000 0.000 0.138 -0.159 -1.184 0.000 REMARK 42 GLU A -4.684 0.187 1.960 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 3.350 -0.200 1.618 0.000 REMARK 43 ARG A -5.315 0.386 2.896 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.984 -0.092 9.937 0.000 REMARK 44 GLN A -7.933 0.464 4.152 0.000 0.000 0.000 -3.695 -0.297 0.000 0.000 0.000 0.000 2.536 -0.055 -0.208 0.000 REMARK 45 ILE A -8.494 1.084 1.308 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.510 -0.434 -1.817 0.000 REMARK 46 LYS A -7.634 0.576 3.840 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.101 0.058 -1.538 0.000 REMARK 47 ILE A -7.486 0.686 2.526 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.170 -0.323 -1.817 0.000 REMARK 48 TRP A -10.117 1.088 2.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.698 -0.284 1.821 0.000 REMARK 49 PHE A -10.310 1.478 1.940 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 3.464 0.091 0.104 0.000 REMARK 50 GLN A -7.494 0.752 4.006 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.357 0.176 -0.208 0.000 REMARK 51 ASN A -6.248 0.352 3.386 0.000 0.000 0.000 0.000 -1.336 0.000 0.000 0.000 0.000 1.231 0.536 1.061 0.000 REMARK 52 CYS A -6.672 0.651 1.824 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.328 0.317 -1.182 0.000 REMARK 53 ARG A -12.131 1.041 6.800 0.000 0.000 0.000 -0.753 -0.349 0.000 0.000 0.000 0.000 2.154 -0.081 9.937 0.000 REMARK 54 MET A -7.051 0.442 2.774 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.340 0.027 -1.402 0.000 REMARK 55 ILE A -5.640 0.687 2.446 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.082 -0.353 -1.817 0.000 REMARK 56 TRP A -9.123 0.555 3.221 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.488 -0.293 1.821 0.000 REMARK 57 LYS A -6.388 0.680 3.390 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.311 0.040 -1.538 0.000 REMARK 58 LYS A -3.568 0.176 1.764 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.954 -0.038 -1.538 0.000 REMARK 59 GLU A -3.815 0.179 1.908 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 2.447 -0.226 1.618 0.000 REMARK 60 HIS A -5.102 0.264 2.164 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 1.851 -0.435 0.838 0.000 REMARK 5 DG B -14.060 1.879 8.250 0.000 0.000 0.000 0.000 -1.381 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 6 DT B -11.782 1.619 6.388 0.000 0.000 0.000 0.000 -1.250 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 7 DG B -17.262 2.422 10.981 0.000 0.000 0.000 0.000 -2.218 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 8 DA B -17.306 2.055 11.502 0.000 0.000 0.000 0.000 -3.072 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 9 DG B -14.148 2.015 8.197 0.000 0.000 0.000 0.000 -1.355 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 5 DA C -14.128 1.940 8.677 0.000 0.000 0.000 0.000 -0.920 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 6 DC C -12.982 1.600 8.794 0.000 0.000 0.000 0.000 -1.499 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 7 DG C -15.556 1.675 10.520 0.000 0.000 0.000 0.000 -1.872 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 8 DA C -15.243 1.994 9.030 0.000 0.000 0.000 0.000 -0.722 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 9 DC C -11.860 2.387 6.484 0.000 0.000 0.000 0.000 -1.355 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 10 DT C -11.532 2.170 5.982 0.000 0.000 0.000 0.000 -1.046 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 11 DC C -11.022 1.559 6.597 0.000 0.000 0.000 0.000 -1.856 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 12 DA C -12.880 1.474 7.892 0.000 0.000 0.000 0.000 -1.250 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 13 DC C -12.478 1.468 7.220 0.000 0.000 0.000 0.000 -1.381 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK 14 DT C -10.898 1.846 6.012 0.000 0.000 0.000 0.000 -0.859 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 REMARK REMARK Weighted total energies: REMARK fa_atr -752.77 REMARK fa_rep 94.90 REMARK fa_sol 376.39 REMARK pro_close 0.00 REMARK hbond_sr_bb -103.72 REMARK hbond_lr_bb -4.28 REMARK hbond_bb_sc -19.86 REMARK hbond_sc -41.33 REMARK dslf_ss_dst 0.00 REMARK dslf_cs_ang 0.00 REMARK dslf_ss_dih 0.00 REMARK dslf_ca_dih 0.00 REMARK fa_dun 100.27 REMARK p_aa_pp -4.61 REMARK ref 66.45 REMARK res_type_constra 0.00 REMARK total_score -288.56 REMARK REMARK Residues varied in this design: REMARK MovedRes, 1 A, 2 A, 4 A, 5 A, 6 A, 7 A, 8 A, 9 A, 10 A, 11 A, 12 A, 13 A, 14 A, 15 A, 16 A, 17 A, 19 A, 20 A, 24 A, 25 A, 26 A, 31 A, 34 A, 38 A, 39 A, 40 A, 41 A, 42 A, 43 A, 44 A, 45 A, 46 A, 47 A, 48 A, 49 A, 50 A, 51 A, 53 A, 54 A, 56 A, 57 A, 58 A, 59 A, 60 A REMARK MovedDNA, 5 B, 6 B, 7 B, 8 B, 9 B, 5 C, 6 C, 7 C, 8 C, 9 C, 10 C, 11 C, 12 C, 13 C, 14 C REMARK MutatedRes, 3 A, 52 A, 55 A REMARK MutatedDNA REMARK REMARK Loc, res, pos, pdb, chain, atom, x, y, z, res, pos, pdb, chain, atom, x, y, z, hbE, HAdis, xD, xH REMARK dna_base DG 68 7 B H22 7.677 -5.661 -0.582 GLU 3 3 A OE2 7.555 -6.639 1.377 -1.43 2.19257 0.919853 0.0814385 REMARK dna_bb TYR 8 8 A HH -1.180 -7.612 4.388 DA 69 8 B OP2 0.552 -6.640 4.397 -2.31 1.98564 0.74882 0.453741 REMARK dna_bb TYR 25 25 A HH -7.303 9.856 -0.308 DG 85 7 C OP1 -5.539 9.331 -0.094 -1.81 1.85318 0.918439 0.912231 REMARK dna_bb GLN 44 44 A 2HE2 0.230 -8.699 6.576 DA 69 8 B OP1 2.068 -8.526 5.225 -1.55 2.28719 0.951301 0.289815 REMARK dna_base ASN 51 51 A 1HD2 1.217 -1.759 -0.068 DA 69 8 B N7 3.032 -2.100 0.579 -3.47 1.95648 0.991678 0.997281 REMARK dna_base DA 69 8 B H62 2.717 -0.385 -1.631 ASN 51 51 A OD1 0.692 0.344 -1.271 -1.81 2.18242 0.89525 0.336684 REMARK dna_bb ARG 53 53 A HE -5.368 6.366 0.539 DG 85 7 C OP2 -3.945 7.562 0.841 -2.54 1.88322 0.87875 0.397461 HEADER 08-JUL-24 XXXX EXPDTA THEORETICAL MODEL REMARK 220 REMARK 220 EXPERIMENTAL DETAILS REMARK 220 EXPERIMENT TYPE : THEORETICAL MODELLING REMARK 220 DATE OF DATA COLLECTION : 08-JUL-24 REMARK 220 REMARK 220 REMARK: MODEL GENERATED BY ROSETTA REMARK 220 VERSION 2024.09+release.06b3cf8 ATOM 1 N THR A 1 17.659 -9.740 6.672 1.00 0.00 A N ATOM 2 CA THR A 1 16.233 -10.036 6.871 1.00 0.00 A C ATOM 3 C THR A 1 15.483 -9.860 5.558 1.00 0.00 A C ATOM 4 O THR A 1 15.156 -8.743 5.155 1.00 0.00 A O ATOM 5 CB THR A 1 15.610 -9.134 7.952 1.00 0.00 A C ATOM 6 OG1 THR A 1 16.287 -9.341 9.199 1.00 0.00 A O ATOM 7 CG2 THR A 1 14.132 -9.450 8.124 1.00 0.00 A C ATOM 8 1H THR A 1 18.148 -9.856 7.537 1.00 0.00 A H ATOM 9 2H THR A 1 18.038 -10.364 5.989 1.00 0.00 A H ATOM 10 3H THR A 1 17.763 -8.797 6.356 1.00 0.00 A H ATOM 11 HA THR A 1 16.138 -11.069 7.205 1.00 0.00 A H ATOM 12 HB THR A 1 15.722 -8.089 7.663 1.00 0.00 A H ATOM 13 HG1 THR A 1 16.745 -10.184 9.177 1.00 0.00 A H ATOM 14 1HG2 THR A 1 13.709 -8.802 8.891 1.00 0.00 A H ATOM 15 2HG2 THR A 1 13.613 -9.282 7.180 1.00 0.00 A H ATOM 16 3HG2 THR A 1 14.015 -10.491 8.422 1.00 0.00 A H ATOM 17 N LYS A 2 15.240 -10.972 4.858 1.00 0.00 A N ATOM 18 CA LYS A 2 14.555 -10.927 3.578 1.00 0.00 A C ATOM 19 C LYS A 2 13.059 -10.723 3.808 1.00 0.00 A C ATOM 20 O LYS A 2 12.468 -11.349 4.685 1.00 0.00 A O ATOM 21 CB LYS A 2 14.810 -12.206 2.779 1.00 0.00 A C ATOM 22 CG LYS A 2 16.252 -12.387 2.323 1.00 0.00 A C ATOM 23 CD LYS A 2 16.417 -13.658 1.504 1.00 0.00 A C ATOM 24 CE LYS A 2 17.859 -13.844 1.054 1.00 0.00 A C ATOM 25 NZ LYS A 2 18.040 -15.096 0.270 1.00 0.00 A N ATOM 26 H LYS A 2 15.538 -11.864 5.226 1.00 0.00 A H ATOM 27 HA LYS A 2 14.956 -10.093 3.000 1.00 0.00 A H ATOM 28 1HB LYS A 2 14.539 -13.073 3.384 1.00 0.00 A H ATOM 29 2HB LYS A 2 14.175 -12.214 1.893 1.00 0.00 A H ATOM 30 1HG LYS A 2 16.551 -11.532 1.716 1.00 0.00 A H ATOM 31 2HG LYS A 2 16.905 -12.438 3.194 1.00 0.00 A H ATOM 32 1HD LYS A 2 16.118 -14.519 2.104 1.00 0.00 A H ATOM 33 2HD LYS A 2 15.775 -13.610 0.624 1.00 0.00 A H ATOM 34 1HE LYS A 2 18.159 -12.998 0.438 1.00 0.00 A H ATOM 35 2HE LYS A 2 18.511 -13.879 1.927 1.00 0.00 A H ATOM 36 1HZ LYS A 2 19.007 -15.182 -0.008 1.00 0.00 A H ATOM 37 2HZ LYS A 2 17.782 -15.890 0.839 1.00 0.00 A H ATOM 38 3HZ LYS A 2 17.455 -15.067 -0.552 1.00 0.00 A H ATOM 39 N GLU A 3 12.448 -9.838 3.032 1.00 0.00 A N ATOM 40 CA GLU A 3 11.018 -9.604 3.147 1.00 0.00 A C ATOM 41 C GLU A 3 10.257 -10.889 2.859 1.00 0.00 A C ATOM 42 O GLU A 3 10.457 -11.507 1.817 1.00 0.00 A O ATOM 43 CB GLU A 3 10.570 -8.499 2.188 1.00 0.00 A C ATOM 44 CG GLU A 3 9.101 -8.118 2.309 1.00 0.00 A C ATOM 45 CD GLU A 3 8.705 -7.010 1.373 1.00 0.00 A C ATOM 46 OE1 GLU A 3 9.551 -6.534 0.655 1.00 0.00 A O ATOM 47 OE2 GLU A 3 7.555 -6.639 1.377 1.00 0.00 A O ATOM 48 H GLU A 3 12.978 -9.316 2.349 1.00 0.00 A H ATOM 49 HA GLU A 3 10.804 -9.256 4.158 1.00 0.00 A H ATOM 50 1HB GLU A 3 11.164 -7.602 2.363 1.00 0.00 A H ATOM 51 2HB GLU A 3 10.750 -8.814 1.160 1.00 0.00 A H ATOM 52 1HG GLU A 3 8.490 -8.994 2.095 1.00 0.00 A H ATOM 53 2HG GLU A 3 8.900 -7.811 3.334 1.00 0.00 A H ATOM 54 N GLN A 4 9.391 -11.274 3.789 1.00 0.00 A N ATOM 55 CA GLN A 4 8.522 -12.412 3.568 1.00 0.00 A C ATOM 56 C GLN A 4 7.137 -11.881 3.233 1.00 0.00 A C ATOM 57 O GLN A 4 6.442 -11.339 4.088 1.00 0.00 A O ATOM 58 CB GLN A 4 8.476 -13.324 4.798 1.00 0.00 A C ATOM 59 CG GLN A 4 9.839 -13.795 5.276 1.00 0.00 A C ATOM 60 CD GLN A 4 10.578 -14.594 4.220 1.00 0.00 A C ATOM 61 OE1 GLN A 4 10.096 -15.631 3.756 1.00 0.00 A O ATOM 62 NE2 GLN A 4 11.755 -14.116 3.833 1.00 0.00 A N ATOM 63 H GLN A 4 9.330 -10.771 4.663 1.00 0.00 A H ATOM 64 HA GLN A 4 8.913 -12.988 2.730 1.00 0.00 A H ATOM 65 1HB GLN A 4 7.993 -12.799 5.622 1.00 0.00 A H ATOM 66 2HB GLN A 4 7.875 -14.205 4.574 1.00 0.00 A H ATOM 67 1HG GLN A 4 10.443 -12.924 5.531 1.00 0.00 A H ATOM 68 2HG GLN A 4 9.706 -14.427 6.153 1.00 0.00 A H ATOM 69 1HE2 GLN A 4 12.289 -14.601 3.139 1.00 0.00 A H ATOM 70 2HE2 GLN A 4 12.109 -13.272 4.235 1.00 0.00 A H ATOM 71 N ARG A 5 6.739 -12.013 1.981 1.00 0.00 A N ATOM 72 CA ARG A 5 5.465 -11.477 1.526 1.00 0.00 A C ATOM 73 C ARG A 5 4.308 -12.351 1.997 1.00 0.00 A C ATOM 74 O ARG A 5 4.293 -13.552 1.775 1.00 0.00 A O ATOM 75 CB ARG A 5 5.437 -11.374 0.008 1.00 0.00 A C ATOM 76 CG ARG A 5 6.448 -10.406 -0.586 1.00 0.00 A C ATOM 77 CD ARG A 5 6.356 -10.355 -2.067 1.00 0.00 A C ATOM 78 NE ARG A 5 5.095 -9.783 -2.512 1.00 0.00 A N ATOM 79 CZ ARG A 5 4.079 -10.491 -3.044 1.00 0.00 A C ATOM 80 NH1 ARG A 5 4.191 -11.793 -3.189 1.00 0.00 A N ATOM 81 NH2 ARG A 5 2.971 -9.877 -3.418 1.00 0.00 A N ATOM 82 H ARG A 5 7.333 -12.496 1.322 1.00 0.00 A H ATOM 83 HA ARG A 5 5.338 -10.479 1.948 1.00 0.00 A H ATOM 84 1HB ARG A 5 5.626 -12.355 -0.426 1.00 0.00 A H ATOM 85 2HB ARG A 5 4.446 -11.057 -0.318 1.00 0.00 A H ATOM 86 1HG ARG A 5 6.266 -9.404 -0.196 1.00 0.00 A H ATOM 87 2HG ARG A 5 7.457 -10.722 -0.316 1.00 0.00 A H ATOM 88 1HD ARG A 5 7.166 -9.742 -2.462 1.00 0.00 A H ATOM 89 2HD ARG A 5 6.434 -11.364 -2.471 1.00 0.00 A H ATOM 90 HE ARG A 5 4.972 -8.784 -2.417 1.00 0.00 A H ATOM 91 1HH1 ARG A 5 5.038 -12.263 -2.902 1.00 0.00 A H ATOM 92 2HH1 ARG A 5 3.429 -12.324 -3.587 1.00 0.00 A H ATOM 93 1HH2 ARG A 5 2.885 -8.876 -3.307 1.00 0.00 A H ATOM 94 2HH2 ARG A 5 2.210 -10.408 -3.816 1.00 0.00 A H ATOM 95 N THR A 6 3.343 -11.724 2.651 1.00 0.00 A N ATOM 96 CA THR A 6 2.113 -12.392 3.025 1.00 0.00 A C ATOM 97 C THR A 6 1.193 -12.406 1.814 1.00 0.00 A C ATOM 98 O THR A 6 0.961 -11.370 1.194 1.00 0.00 A O ATOM 99 CB THR A 6 1.412 -11.672 4.178 1.00 0.00 A C ATOM 100 OG1 THR A 6 2.261 -11.681 5.328 1.00 0.00 A O ATOM 101 CG2 THR A 6 0.097 -12.358 4.523 1.00 0.00 A C ATOM 102 H THR A 6 3.469 -10.753 2.896 1.00 0.00 A H ATOM 103 HA THR A 6 2.354 -13.403 3.353 1.00 0.00 A H ATOM 104 HB THR A 6 1.210 -10.639 3.893 1.00 0.00 A H ATOM 105 HG1 THR A 6 3.080 -12.137 5.117 1.00 0.00 A H ATOM 106 1HG2 THR A 6 -0.385 -11.829 5.345 1.00 0.00 A H ATOM 107 2HG2 THR A 6 -0.557 -12.349 3.651 1.00 0.00 A H ATOM 108 3HG2 THR A 6 0.292 -13.388 4.819 1.00 0.00 A H ATOM 109 N SER A 7 0.689 -13.589 1.470 1.00 0.00 A N ATOM 110 CA SER A 7 -0.246 -13.714 0.372 1.00 0.00 A C ATOM 111 C SER A 7 -1.660 -13.750 0.929 1.00 0.00 A C ATOM 112 O SER A 7 -2.005 -14.656 1.679 1.00 0.00 A O ATOM 113 CB SER A 7 0.039 -14.966 -0.434 1.00 0.00 A C ATOM 114 OG SER A 7 -0.927 -15.153 -1.431 1.00 0.00 A O ATOM 115 H SER A 7 0.961 -14.417 1.981 1.00 0.00 A H ATOM 116 HA SER A 7 -0.132 -12.847 -0.281 1.00 0.00 A H ATOM 117 1HB SER A 7 1.026 -14.889 -0.889 1.00 0.00 A H ATOM 118 2HB SER A 7 0.052 -15.830 0.229 1.00 0.00 A H ATOM 119 HG SER A 7 -1.689 -14.634 -1.162 1.00 0.00 A H ATOM 120 N TYR A 8 -2.465 -12.753 0.599 1.00 0.00 A N ATOM 121 CA TYR A 8 -3.845 -12.710 1.066 1.00 0.00 A C ATOM 122 C TYR A 8 -4.684 -13.741 0.318 1.00 0.00 A C ATOM 123 O TYR A 8 -4.472 -13.982 -0.862 1.00 0.00 A O ATOM 124 CB TYR A 8 -4.433 -11.308 0.891 1.00 0.00 A C ATOM 125 CG TYR A 8 -3.811 -10.268 1.796 1.00 0.00 A C ATOM 126 CD1 TYR A 8 -2.475 -10.371 2.156 1.00 0.00 A C ATOM 127 CD2 TYR A 8 -4.576 -9.211 2.266 1.00 0.00 A C ATOM 128 CE1 TYR A 8 -1.907 -9.421 2.982 1.00 0.00 A C ATOM 129 CE2 TYR A 8 -4.008 -8.261 3.092 1.00 0.00 A C ATOM 130 CZ TYR A 8 -2.679 -8.364 3.450 1.00 0.00 A C ATOM 131 OH TYR A 8 -2.113 -7.417 4.273 1.00 0.00 A O ATOM 132 H TYR A 8 -2.120 -12.006 0.013 1.00 0.00 A H ATOM 133 HA TYR A 8 -3.858 -12.953 2.129 1.00 0.00 A H ATOM 134 1HB TYR A 8 -4.301 -10.984 -0.142 1.00 0.00 A H ATOM 135 2HB TYR A 8 -5.504 -11.335 1.091 1.00 0.00 A H ATOM 136 HD1 TYR A 8 -1.874 -11.202 1.786 1.00 0.00 A H ATOM 137 HD2 TYR A 8 -5.626 -9.130 1.984 1.00 0.00 A H ATOM 138 HE1 TYR A 8 -0.858 -9.502 3.265 1.00 0.00 A H ATOM 139 HE2 TYR A 8 -4.609 -7.430 3.463 1.00 0.00 A H ATOM 140 HH TYR A 8 -1.180 -7.612 4.388 1.00 0.00 A H ATOM 141 N THR A 9 -5.647 -14.345 1.018 1.00 0.00 A N ATOM 142 CA THR A 9 -6.527 -15.332 0.406 1.00 0.00 A C ATOM 143 C THR A 9 -7.512 -14.645 -0.529 1.00 0.00 A C ATOM 144 O THR A 9 -7.688 -13.420 -0.480 1.00 0.00 A O ATOM 145 CB THR A 9 -7.291 -16.141 1.470 1.00 0.00 A C ATOM 146 OG1 THR A 9 -8.158 -15.268 2.206 1.00 0.00 A O ATOM 147 CG2 THR A 9 -6.320 -16.812 2.430 1.00 0.00 A C ATOM 148 H THR A 9 -5.770 -14.114 1.994 1.00 0.00 A H ATOM 149 HA THR A 9 -5.917 -16.035 -0.161 1.00 0.00 A H ATOM 150 HB THR A 9 -7.896 -16.905 0.982 1.00 0.00 A H ATOM 151 HG1 THR A 9 -8.995 -15.711 2.367 1.00 0.00 A H ATOM 152 1HG2 THR A 9 -6.878 -17.379 3.174 1.00 0.00 A H ATOM 153 2HG2 THR A 9 -5.667 -17.485 1.875 1.00 0.00 A H ATOM 154 3HG2 THR A 9 -5.719 -16.052 2.928 1.00 0.00 A H ATOM 155 N ARG A 10 -8.162 -15.438 -1.387 1.00 0.00 A N ATOM 156 CA ARG A 10 -9.186 -14.900 -2.272 1.00 0.00 A C ATOM 157 C ARG A 10 -10.298 -14.233 -1.463 1.00 0.00 A C ATOM 158 O ARG A 10 -10.798 -13.174 -1.838 1.00 0.00 A O ATOM 159 CB ARG A 10 -9.777 -16.000 -3.142 1.00 0.00 A C ATOM 160 CG ARG A 10 -10.846 -15.538 -4.119 1.00 0.00 A C ATOM 161 CD ARG A 10 -11.403 -16.672 -4.900 1.00 0.00 A C ATOM 162 NE ARG A 10 -12.095 -17.628 -4.050 1.00 0.00 A N ATOM 163 CZ ARG A 10 -13.347 -17.468 -3.580 1.00 0.00 A C ATOM 164 NH1 ARG A 10 -14.031 -16.388 -3.886 1.00 0.00 A N ATOM 165 NH2 ARG A 10 -13.889 -18.398 -2.812 1.00 0.00 A N ATOM 166 H ARG A 10 -7.945 -16.424 -1.427 1.00 0.00 A H ATOM 167 HA ARG A 10 -8.728 -14.146 -2.913 1.00 0.00 A H ATOM 168 1HB ARG A 10 -8.983 -16.472 -3.720 1.00 0.00 A H ATOM 169 2HB ARG A 10 -10.220 -16.767 -2.507 1.00 0.00 A H ATOM 170 1HG ARG A 10 -11.661 -15.066 -3.570 1.00 0.00 A H ATOM 171 2HG ARG A 10 -10.415 -14.820 -4.817 1.00 0.00 A H ATOM 172 1HD ARG A 10 -12.114 -16.293 -5.634 1.00 0.00 A H ATOM 173 2HD ARG A 10 -10.595 -17.193 -5.412 1.00 0.00 A H ATOM 174 HE ARG A 10 -11.600 -18.472 -3.792 1.00 0.00 A H ATOM 175 1HH1 ARG A 10 -13.618 -15.678 -4.473 1.00 0.00 A H ATOM 176 2HH1 ARG A 10 -14.970 -16.269 -3.535 1.00 0.00 A H ATOM 177 1HH2 ARG A 10 -13.363 -19.228 -2.577 1.00 0.00 A H ATOM 178 2HH2 ARG A 10 -14.827 -18.278 -2.461 1.00 0.00 A H ATOM 179 N TYR A 11 -10.667 -14.867 -0.337 1.00 0.00 A N ATOM 180 CA TYR A 11 -11.718 -14.326 0.515 1.00 0.00 A C ATOM 181 C TYR A 11 -11.317 -12.979 1.112 1.00 0.00 A C ATOM 182 O TYR A 11 -12.108 -12.030 1.102 1.00 0.00 A O ATOM 183 CB TYR A 11 -12.053 -15.320 1.627 1.00 0.00 A C ATOM 184 CG TYR A 11 -13.058 -14.785 2.618 1.00 0.00 A C ATOM 185 CD1 TYR A 11 -14.411 -14.736 2.305 1.00 0.00 A C ATOM 186 CD2 TYR A 11 -12.660 -14.326 3.862 1.00 0.00 A C ATOM 187 CE1 TYR A 11 -15.339 -14.241 3.203 1.00 0.00 A C ATOM 188 CE2 TYR A 11 -13.578 -13.825 4.774 1.00 0.00 A C ATOM 189 CZ TYR A 11 -14.923 -13.782 4.442 1.00 0.00 A C ATOM 190 OH TYR A 11 -15.843 -13.282 5.329 1.00 0.00 A O ATOM 191 H TYR A 11 -10.214 -15.730 -0.072 1.00 0.00 A H ATOM 192 HA TYR A 11 -12.608 -14.165 -0.094 1.00 0.00 A H ATOM 193 1HB TYR A 11 -12.452 -16.236 1.189 1.00 0.00 A H ATOM 194 2HB TYR A 11 -11.143 -15.584 2.165 1.00 0.00 A H ATOM 195 HD1 TYR A 11 -14.759 -15.093 1.335 1.00 0.00 A H ATOM 196 HD2 TYR A 11 -11.607 -14.352 4.142 1.00 0.00 A H ATOM 197 HE1 TYR A 11 -16.395 -14.213 2.935 1.00 0.00 A H ATOM 198 HE2 TYR A 11 -13.240 -13.466 5.747 1.00 0.00 A H ATOM 199 HH TYR A 11 -15.394 -13.005 6.132 1.00 0.00 A H ATOM 200 N GLN A 12 -10.097 -12.888 1.629 1.00 0.00 A N ATOM 201 CA GLN A 12 -9.615 -11.637 2.198 1.00 0.00 A C ATOM 202 C GLN A 12 -9.631 -10.518 1.160 1.00 0.00 A C ATOM 203 O GLN A 12 -10.130 -9.425 1.419 1.00 0.00 A O ATOM 204 CB GLN A 12 -8.200 -11.821 2.758 1.00 0.00 A C ATOM 205 CG GLN A 12 -8.151 -12.628 4.044 1.00 0.00 A C ATOM 206 CD GLN A 12 -6.734 -12.976 4.462 1.00 0.00 A C ATOM 207 OE1 GLN A 12 -5.874 -13.237 3.624 1.00 0.00 A O ATOM 208 NE2 GLN A 12 -6.469 -12.995 5.766 1.00 0.00 A N ATOM 209 H GLN A 12 -9.490 -13.695 1.630 1.00 0.00 A H ATOM 210 HA GLN A 12 -10.280 -11.349 3.012 1.00 0.00 A H ATOM 211 1HB GLN A 12 -7.578 -12.323 2.017 1.00 0.00 A H ATOM 212 2HB GLN A 12 -7.756 -10.845 2.951 1.00 0.00 A H ATOM 213 1HG GLN A 12 -8.608 -12.046 4.844 1.00 0.00 A H ATOM 214 2HG GLN A 12 -8.701 -13.558 3.898 1.00 0.00 A H ATOM 215 1HE2 GLN A 12 -5.548 -13.219 6.086 1.00 0.00 A H ATOM 216 2HE2 GLN A 12 -7.191 -12.786 6.426 1.00 0.00 A H ATOM 217 N THR A 13 -9.097 -10.798 -0.027 1.00 0.00 A N ATOM 218 CA THR A 13 -9.044 -9.794 -1.087 1.00 0.00 A C ATOM 219 C THR A 13 -10.447 -9.387 -1.538 1.00 0.00 A C ATOM 220 O THR A 13 -10.714 -8.205 -1.766 1.00 0.00 A O ATOM 221 CB THR A 13 -8.241 -10.309 -2.296 1.00 0.00 A C ATOM 222 OG1 THR A 13 -6.892 -10.584 -1.895 1.00 0.00 A O ATOM 223 CG2 THR A 13 -8.233 -9.274 -3.411 1.00 0.00 A C ATOM 224 H THR A 13 -8.721 -11.719 -0.202 1.00 0.00 A H ATOM 225 HA THR A 13 -8.552 -8.903 -0.695 1.00 0.00 A H ATOM 226 HB THR A 13 -8.691 -11.230 -2.666 1.00 0.00 A H ATOM 227 HG1 THR A 13 -6.894 -11.251 -1.205 1.00 0.00 A H ATOM 228 1HG2 THR A 13 -7.662 -9.655 -4.257 1.00 0.00 A H ATOM 229 2HG2 THR A 13 -9.257 -9.071 -3.726 1.00 0.00 A H ATOM 230 3HG2 THR A 13 -7.776 -8.354 -3.050 1.00 0.00 A H ATOM 231 N LEU A 14 -11.346 -10.362 -1.666 1.00 0.00 A N ATOM 232 CA LEU A 14 -12.717 -10.082 -2.072 1.00 0.00 A C ATOM 233 C LEU A 14 -13.411 -9.142 -1.091 1.00 0.00 A C ATOM 234 O LEU A 14 -14.055 -8.179 -1.495 1.00 0.00 A O ATOM 235 CB LEU A 14 -13.510 -11.390 -2.183 1.00 0.00 A C ATOM 236 CG LEU A 14 -14.995 -11.239 -2.538 1.00 0.00 A C ATOM 237 CD1 LEU A 14 -15.127 -10.570 -3.900 1.00 0.00 A C ATOM 238 CD2 LEU A 14 -15.660 -12.608 -2.535 1.00 0.00 A C ATOM 239 H LEU A 14 -11.074 -11.316 -1.478 1.00 0.00 A H ATOM 240 HA LEU A 14 -12.696 -9.591 -3.044 1.00 0.00 A H ATOM 241 1HB LEU A 14 -13.049 -12.012 -2.948 1.00 0.00 A H ATOM 242 2HB LEU A 14 -13.449 -11.916 -1.231 1.00 0.00 A H ATOM 243 HG LEU A 14 -15.482 -10.598 -1.803 1.00 0.00 A H ATOM 244 1HD1 LEU A 14 -16.182 -10.463 -4.152 1.00 0.00 A H ATOM 245 2HD1 LEU A 14 -14.661 -9.585 -3.868 1.00 0.00 A H ATOM 246 3HD1 LEU A 14 -14.635 -11.182 -4.655 1.00 0.00 A H ATOM 247 1HD2 LEU A 14 -16.715 -12.501 -2.786 1.00 0.00 A H ATOM 248 2HD2 LEU A 14 -15.175 -13.250 -3.271 1.00 0.00 A H ATOM 249 3HD2 LEU A 14 -15.566 -13.055 -1.545 1.00 0.00 A H ATOM 250 N GLU A 15 -13.272 -9.430 0.202 1.00 0.00 A N ATOM 251 CA GLU A 15 -13.920 -8.600 1.216 1.00 0.00 A C ATOM 252 C GLU A 15 -13.303 -7.197 1.275 1.00 0.00 A C ATOM 253 O GLU A 15 -14.013 -6.214 1.504 1.00 0.00 A O ATOM 254 CB GLU A 15 -13.821 -9.269 2.589 1.00 0.00 A C ATOM 255 CG GLU A 15 -14.653 -10.536 2.732 1.00 0.00 A C ATOM 256 CD GLU A 15 -16.128 -10.287 2.585 1.00 0.00 A C ATOM 257 OE1 GLU A 15 -16.634 -9.417 3.252 1.00 0.00 A O ATOM 258 OE2 GLU A 15 -16.751 -10.967 1.804 1.00 0.00 A O ATOM 259 H GLU A 15 -12.719 -10.223 0.495 1.00 0.00 A H ATOM 260 HA GLU A 15 -14.969 -8.479 0.945 1.00 0.00 A H ATOM 261 1HB GLU A 15 -12.782 -9.527 2.794 1.00 0.00 A H ATOM 262 2HB GLU A 15 -14.143 -8.569 3.359 1.00 0.00 A H ATOM 263 1HG GLU A 15 -14.340 -11.252 1.972 1.00 0.00 A H ATOM 264 2HG GLU A 15 -14.460 -10.977 3.709 1.00 0.00 A H ATOM 265 N LEU A 16 -12.000 -7.107 1.074 1.00 0.00 A N ATOM 266 CA LEU A 16 -11.349 -5.800 1.055 1.00 0.00 A C ATOM 267 C LEU A 16 -11.820 -4.962 -0.138 1.00 0.00 A C ATOM 268 O LEU A 16 -12.118 -3.775 0.008 1.00 0.00 A O ATOM 269 CB LEU A 16 -9.823 -5.972 1.026 1.00 0.00 A C ATOM 270 CG LEU A 16 -9.215 -6.546 2.315 1.00 0.00 A C ATOM 271 CD1 LEU A 16 -7.768 -6.988 2.080 1.00 0.00 A C ATOM 272 CD2 LEU A 16 -9.271 -5.514 3.441 1.00 0.00 A C ATOM 273 H LEU A 16 -11.442 -7.937 0.932 1.00 0.00 A H ATOM 274 HA LEU A 16 -11.625 -5.263 1.962 1.00 0.00 A H ATOM 275 1HB LEU A 16 -9.564 -6.636 0.203 1.00 0.00 A H ATOM 276 2HB LEU A 16 -9.367 -5.000 0.838 1.00 0.00 A H ATOM 277 HG LEU A 16 -9.775 -7.431 2.619 1.00 0.00 A H ATOM 278 1HD1 LEU A 16 -7.355 -7.392 3.004 1.00 0.00 A H ATOM 279 2HD1 LEU A 16 -7.743 -7.756 1.307 1.00 0.00 A H ATOM 280 3HD1 LEU A 16 -7.174 -6.132 1.761 1.00 0.00 A H ATOM 281 1HD2 LEU A 16 -8.837 -5.939 4.347 1.00 0.00 A H ATOM 282 2HD2 LEU A 16 -8.708 -4.627 3.150 1.00 0.00 A H ATOM 283 3HD2 LEU A 16 -10.308 -5.239 3.631 1.00 0.00 A H ATOM 284 N GLU A 17 -11.914 -5.581 -1.312 1.00 0.00 A N ATOM 285 CA GLU A 17 -12.409 -4.884 -2.500 1.00 0.00 A C ATOM 286 C GLU A 17 -13.868 -4.468 -2.324 1.00 0.00 A C ATOM 287 O GLU A 17 -14.272 -3.382 -2.752 1.00 0.00 A O ATOM 288 CB GLU A 17 -12.267 -5.771 -3.739 1.00 0.00 A C ATOM 289 CG GLU A 17 -12.675 -5.100 -5.043 1.00 0.00 A C ATOM 290 CD GLU A 17 -11.786 -3.945 -5.409 1.00 0.00 A C ATOM 291 OE1 GLU A 17 -10.703 -3.862 -4.881 1.00 0.00 A O ATOM 292 OE2 GLU A 17 -12.190 -3.143 -6.219 1.00 0.00 A O ATOM 293 H GLU A 17 -11.640 -6.550 -1.389 1.00 0.00 A H ATOM 294 HA GLU A 17 -11.811 -3.984 -2.647 1.00 0.00 A H ATOM 295 1HB GLU A 17 -11.231 -6.094 -3.839 1.00 0.00 A H ATOM 296 2HB GLU A 17 -12.878 -6.666 -3.618 1.00 0.00 A H ATOM 297 1HG GLU A 17 -12.642 -5.837 -5.844 1.00 0.00 A H ATOM 298 2HG GLU A 17 -13.702 -4.748 -4.952 1.00 0.00 A H ATOM 299 N GLU A 19 -15.380 -3.756 0.508 1.00 0.00 A N ATOM 300 CA GLU A 19 -15.417 -2.594 1.394 1.00 0.00 A C ATOM 301 C GLU A 19 -14.943 -1.332 0.670 1.00 0.00 A C ATOM 302 O GLU A 19 -15.525 -0.258 0.833 1.00 0.00 A O ATOM 303 CB GLU A 19 -14.548 -2.848 2.627 1.00 0.00 A C ATOM 304 CG GLU A 19 -14.559 -1.698 3.628 1.00 0.00 A C ATOM 305 CD GLU A 19 -15.861 -1.607 4.406 1.00 0.00 A C ATOM 306 OE1 GLU A 19 -16.628 -2.585 4.420 1.00 0.00 A O ATOM 307 OE2 GLU A 19 -16.114 -0.543 5.024 1.00 0.00 A O ATOM 308 H GLU A 19 -14.736 -4.507 0.709 1.00 0.00 A H ATOM 309 HA GLU A 19 -16.447 -2.436 1.715 1.00 0.00 A H ATOM 310 1HB GLU A 19 -14.893 -3.748 3.136 1.00 0.00 A H ATOM 311 2HB GLU A 19 -13.518 -3.022 2.316 1.00 0.00 A H ATOM 312 1HG GLU A 19 -13.737 -1.834 4.330 1.00 0.00 A H ATOM 313 2HG GLU A 19 -14.394 -0.764 3.093 1.00 0.00 A H ATOM 314 N PHE A 20 -13.897 -1.465 -0.143 1.00 0.00 A N ATOM 315 CA PHE A 20 -13.353 -0.335 -0.888 1.00 0.00 A C ATOM 316 C PHE A 20 -14.387 0.268 -1.838 1.00 0.00 A C ATOM 317 O PHE A 20 -14.412 1.478 -2.056 1.00 0.00 A O ATOM 318 CB PHE A 20 -12.119 -0.769 -1.681 1.00 0.00 A C ATOM 319 CG PHE A 20 -11.417 0.362 -2.378 1.00 0.00 A C ATOM 320 CD1 PHE A 20 -10.600 1.231 -1.670 1.00 0.00 A C ATOM 321 CD2 PHE A 20 -11.573 0.560 -3.741 1.00 0.00 A C ATOM 322 CE1 PHE A 20 -9.954 2.272 -2.310 1.00 0.00 A C ATOM 323 CE2 PHE A 20 -10.928 1.598 -4.384 1.00 0.00 A C ATOM 324 CZ PHE A 20 -10.118 2.455 -3.666 1.00 0.00 A C ATOM 325 H PHE A 20 -13.469 -2.374 -0.246 1.00 0.00 A H ATOM 326 HA PHE A 20 -13.064 0.441 -0.178 1.00 0.00 A H ATOM 327 1HB PHE A 20 -11.407 -1.251 -1.012 1.00 0.00 A H ATOM 328 2HB PHE A 20 -12.410 -1.503 -2.432 1.00 0.00 A H ATOM 329 HD1 PHE A 20 -10.470 1.084 -0.597 1.00 0.00 A H ATOM 330 HD2 PHE A 20 -12.214 -0.117 -4.308 1.00 0.00 A H ATOM 331 HE1 PHE A 20 -9.315 2.947 -1.741 1.00 0.00 A H ATOM 332 HE2 PHE A 20 -11.058 1.742 -5.456 1.00 0.00 A H ATOM 333 HZ PHE A 20 -9.610 3.276 -4.171 1.00 0.00 A H ATOM 334 N ARG A 24 -13.554 4.439 0.182 1.00 0.00 A N ATOM 335 CA ARG A 24 -12.126 4.408 -0.120 1.00 0.00 A C ATOM 336 C ARG A 24 -11.276 4.798 1.084 1.00 0.00 A C ATOM 337 O ARG A 24 -10.057 4.601 1.080 1.00 0.00 A O ATOM 338 CB ARG A 24 -11.809 5.344 -1.277 1.00 0.00 A C ATOM 339 CG ARG A 24 -12.514 5.008 -2.582 1.00 0.00 A C ATOM 340 CD ARG A 24 -12.169 5.974 -3.657 1.00 0.00 A C ATOM 341 NE ARG A 24 -10.772 5.872 -4.050 1.00 0.00 A N ATOM 342 CZ ARG A 24 -9.829 6.791 -3.764 1.00 0.00 A C ATOM 343 NH1 ARG A 24 -10.147 7.871 -3.086 1.00 0.00 A N ATOM 344 NH2 ARG A 24 -8.584 6.606 -4.167 1.00 0.00 A N ATOM 345 H ARG A 24 -14.101 5.238 -0.106 1.00 0.00 A H ATOM 346 HA ARG A 24 -11.849 3.385 -0.376 1.00 0.00 A H ATOM 347 1HB ARG A 24 -12.085 6.362 -1.007 1.00 0.00 A H ATOM 348 2HB ARG A 24 -10.737 5.335 -1.470 1.00 0.00 A H ATOM 349 1HG ARG A 24 -12.218 4.011 -2.910 1.00 0.00 A H ATOM 350 2HG ARG A 24 -13.593 5.034 -2.431 1.00 0.00 A H ATOM 351 1HD ARG A 24 -12.785 5.777 -4.534 1.00 0.00 A H ATOM 352 2HD ARG A 24 -12.351 6.989 -3.306 1.00 0.00 A H ATOM 353 HE ARG A 24 -10.490 5.055 -4.573 1.00 0.00 A H ATOM 354 1HH1 ARG A 24 -11.099 8.012 -2.778 1.00 0.00 A H ATOM 355 2HH1 ARG A 24 -9.440 8.560 -2.872 1.00 0.00 A H ATOM 356 1HH2 ARG A 24 -8.339 5.776 -4.689 1.00 0.00 A H ATOM 357 2HH2 ARG A 24 -7.877 7.295 -3.954 1.00 0.00 A H ATOM 358 N TYR A 25 -11.911 5.362 2.116 1.00 0.00 A N ATOM 359 CA TYR A 25 -11.252 5.704 3.371 1.00 0.00 A C ATOM 360 C TYR A 25 -12.025 5.088 4.525 1.00 0.00 A C ATOM 361 O TYR A 25 -13.257 5.105 4.524 1.00 0.00 A O ATOM 362 CB TYR A 25 -11.143 7.221 3.541 1.00 0.00 A C ATOM 363 CG TYR A 25 -10.363 7.904 2.439 1.00 0.00 A C ATOM 364 CD1 TYR A 25 -10.998 8.263 1.259 1.00 0.00 A C ATOM 365 CD2 TYR A 25 -9.012 8.171 2.609 1.00 0.00 A C ATOM 366 CE1 TYR A 25 -10.285 8.886 0.253 1.00 0.00 A C ATOM 367 CE2 TYR A 25 -8.300 8.794 1.603 1.00 0.00 A C ATOM 368 CZ TYR A 25 -8.932 9.152 0.429 1.00 0.00 A C ATOM 369 OH TYR A 25 -8.222 9.773 -0.573 1.00 0.00 A O ATOM 370 H TYR A 25 -12.896 5.556 2.009 1.00 0.00 A H ATOM 371 HA TYR A 25 -10.235 5.311 3.346 1.00 0.00 A H ATOM 372 1HB TYR A 25 -12.142 7.657 3.571 1.00 0.00 A H ATOM 373 2HB TYR A 25 -10.659 7.447 4.490 1.00 0.00 A H ATOM 374 HD1 TYR A 25 -12.059 8.053 1.126 1.00 0.00 A H ATOM 375 HD2 TYR A 25 -8.513 7.888 3.535 1.00 0.00 A H ATOM 376 HE1 TYR A 25 -10.785 9.168 -0.674 1.00 0.00 A H ATOM 377 HE2 TYR A 25 -7.238 9.004 1.736 1.00 0.00 A H ATOM 378 HH TYR A 25 -7.303 9.856 -0.308 1.00 0.00 A H ATOM 379 N LEU A 26 -11.300 4.544 5.508 1.00 0.00 A N ATOM 380 CA LEU A 26 -11.920 3.878 6.644 1.00 0.00 A C ATOM 381 C LEU A 26 -11.771 4.693 7.920 1.00 0.00 A C ATOM 382 O LEU A 26 -10.743 5.330 8.132 1.00 0.00 A O ATOM 383 CB LEU A 26 -11.292 2.502 6.885 1.00 0.00 A C ATOM 384 CG LEU A 26 -11.374 1.475 5.761 1.00 0.00 A C ATOM 385 CD1 LEU A 26 -10.690 0.188 6.200 1.00 0.00 A C ATOM 386 CD2 LEU A 26 -12.828 1.223 5.378 1.00 0.00 A C ATOM 387 H LEU A 26 -10.293 4.598 5.459 1.00 0.00 A H ATOM 388 HA LEU A 26 -12.979 3.739 6.428 1.00 0.00 A H ATOM 389 1HB LEU A 26 -10.234 2.637 7.106 1.00 0.00 A H ATOM 390 2HB LEU A 26 -11.769 2.050 7.755 1.00 0.00 A H ATOM 391 HG LEU A 26 -10.836 1.846 4.889 1.00 0.00 A H ATOM 392 1HD1 LEU A 26 -10.748 -0.547 5.397 1.00 0.00 A H ATOM 393 2HD1 LEU A 26 -9.643 0.392 6.429 1.00 0.00 A H ATOM 394 3HD1 LEU A 26 -11.186 -0.204 7.087 1.00 0.00 A H ATOM 395 1HD2 LEU A 26 -12.870 0.487 4.574 1.00 0.00 A H ATOM 396 2HD2 LEU A 26 -13.372 0.845 6.244 1.00 0.00 A H ATOM 397 3HD2 LEU A 26 -13.282 2.155 5.042 1.00 0.00 A H ATOM 398 N ARG A 31 -11.812 -0.037 10.524 1.00 0.00 A N ATOM 399 CA ARG A 31 -10.547 -0.726 10.272 1.00 0.00 A C ATOM 400 C ARG A 31 -10.334 -1.863 11.274 1.00 0.00 A C ATOM 401 O ARG A 31 -9.870 -2.942 10.903 1.00 0.00 A O ATOM 402 CB ARG A 31 -9.381 0.247 10.355 1.00 0.00 A C ATOM 403 CG ARG A 31 -8.021 -0.356 10.040 1.00 0.00 A C ATOM 404 CD ARG A 31 -6.940 0.661 10.109 1.00 0.00 A C ATOM 405 NE ARG A 31 -7.123 1.714 9.123 1.00 0.00 A N ATOM 406 CZ ARG A 31 -6.597 2.951 9.218 1.00 0.00 A C ATOM 407 NH1 ARG A 31 -5.860 3.274 10.258 1.00 0.00 A N ATOM 408 NH2 ARG A 31 -6.822 3.839 8.266 1.00 0.00 A N ATOM 409 H ARG A 31 -11.798 0.942 10.773 1.00 0.00 A H ATOM 410 HA ARG A 31 -10.586 -1.168 9.276 1.00 0.00 A H ATOM 411 1HB ARG A 31 -9.544 1.071 9.661 1.00 0.00 A H ATOM 412 2HB ARG A 31 -9.330 0.670 11.358 1.00 0.00 A H ATOM 413 1HG ARG A 31 -7.797 -1.143 10.760 1.00 0.00 A H ATOM 414 2HG ARG A 31 -8.033 -0.776 9.034 1.00 0.00 A H ATOM 415 1HD ARG A 31 -6.932 1.118 11.098 1.00 0.00 A H ATOM 416 2HD ARG A 31 -5.979 0.183 9.923 1.00 0.00 A H ATOM 417 HE ARG A 31 -7.684 1.503 8.308 1.00 0.00 A H ATOM 418 1HH1 ARG A 31 -5.688 2.594 10.985 1.00 0.00 A H ATOM 419 2HH1 ARG A 31 -5.466 4.201 10.329 1.00 0.00 A H ATOM 420 1HH2 ARG A 31 -7.389 3.591 7.466 1.00 0.00 A H ATOM 421 2HH2 ARG A 31 -6.428 4.766 8.337 1.00 0.00 A H ATOM 422 N ILE A 34 -12.757 -4.799 10.343 1.00 0.00 A N ATOM 423 CA ILE A 34 -12.296 -5.556 9.176 1.00 0.00 A C ATOM 424 C ILE A 34 -11.082 -6.410 9.540 1.00 0.00 A C ATOM 425 O ILE A 34 -10.993 -7.578 9.137 1.00 0.00 A O ATOM 426 CB ILE A 34 -11.965 -4.610 8.008 1.00 0.00 A C ATOM 427 CG1 ILE A 34 -13.235 -3.909 7.524 1.00 0.00 A C ATOM 428 CG2 ILE A 34 -11.316 -5.378 6.856 1.00 0.00 A C ATOM 429 CD1 ILE A 34 -12.973 -2.679 6.679 1.00 0.00 A C ATOM 430 H ILE A 34 -12.676 -3.792 10.340 1.00 0.00 A H ATOM 431 HA ILE A 34 -13.095 -6.227 8.862 1.00 0.00 A H ATOM 432 HB ILE A 34 -11.275 -3.839 8.349 1.00 0.00 A H ATOM 433 1HG1 ILE A 34 -13.834 -4.604 6.937 1.00 0.00 A H ATOM 434 2HG1 ILE A 34 -13.835 -3.608 8.384 1.00 0.00 A H ATOM 435 1HG2 ILE A 34 -11.091 -4.691 6.041 1.00 0.00 A H ATOM 436 2HG2 ILE A 34 -10.394 -5.843 7.203 1.00 0.00 A H ATOM 437 3HG2 ILE A 34 -12.000 -6.149 6.502 1.00 0.00 A H ATOM 438 1HD1 ILE A 34 -13.922 -2.238 6.375 1.00 0.00 A H ATOM 439 2HD1 ILE A 34 -12.404 -1.953 7.260 1.00 0.00 A H ATOM 440 3HD1 ILE A 34 -12.404 -2.961 5.794 1.00 0.00 A H ATOM 441 N LEU A 38 -11.120 -10.521 9.113 1.00 0.00 A N ATOM 442 CA LEU A 38 -10.252 -11.168 8.130 1.00 0.00 A C ATOM 443 C LEU A 38 -8.977 -11.770 8.738 1.00 0.00 A C ATOM 444 O LEU A 38 -8.125 -12.273 8.006 1.00 0.00 A O ATOM 445 CB LEU A 38 -9.870 -10.169 7.027 1.00 0.00 A C ATOM 446 CG LEU A 38 -11.035 -9.582 6.232 1.00 0.00 A C ATOM 447 CD1 LEU A 38 -10.517 -8.642 5.150 1.00 0.00 A C ATOM 448 CD2 LEU A 38 -11.892 -10.678 5.609 1.00 0.00 A C ATOM 449 H LEU A 38 -10.875 -9.604 9.457 1.00 0.00 A H ATOM 450 HA LEU A 38 -10.797 -11.997 7.681 1.00 0.00 A H ATOM 451 1HB LEU A 38 -9.328 -9.341 7.481 1.00 0.00 A H ATOM 452 2HB LEU A 38 -9.205 -10.667 6.321 1.00 0.00 A H ATOM 453 HG LEU A 38 -11.663 -8.986 6.894 1.00 0.00 A H ATOM 454 1HD1 LEU A 38 -11.358 -8.231 4.592 1.00 0.00 A H ATOM 455 2HD1 LEU A 38 -9.957 -7.829 5.612 1.00 0.00 A H ATOM 456 3HD1 LEU A 38 -9.866 -9.193 4.471 1.00 0.00 A H ATOM 457 1HD2 LEU A 38 -12.712 -10.226 5.051 1.00 0.00 A H ATOM 458 2HD2 LEU A 38 -11.281 -11.278 4.934 1.00 0.00 A H ATOM 459 3HD2 LEU A 38 -12.296 -11.315 6.396 1.00 0.00 A H ATOM 460 N SER A 39 -8.862 -11.712 10.064 1.00 0.00 A N ATOM 461 CA SER A 39 -7.677 -12.214 10.761 1.00 0.00 A C ATOM 462 C SER A 39 -6.393 -11.546 10.255 1.00 0.00 A C ATOM 463 O SER A 39 -5.360 -12.202 10.079 1.00 0.00 A O ATOM 464 CB SER A 39 -7.571 -13.743 10.641 1.00 0.00 A C ATOM 465 OG SER A 39 -8.696 -14.364 11.220 1.00 0.00 A O ATOM 466 H SER A 39 -9.616 -11.309 10.602 1.00 0.00 A H ATOM 467 HA SER A 39 -7.762 -11.958 11.818 1.00 0.00 A H ATOM 468 1HB SER A 39 -7.494 -14.021 9.590 1.00 0.00 A H ATOM 469 2HB SER A 39 -6.663 -14.085 11.137 1.00 0.00 A H ATOM 470 HG SER A 39 -9.252 -13.653 11.547 1.00 0.00 A H ATOM 471 N LEU A 40 -6.472 -10.242 10.023 1.00 0.00 A N ATOM 472 CA LEU A 40 -5.330 -9.427 9.644 1.00 0.00 A C ATOM 473 C LEU A 40 -5.119 -8.363 10.718 1.00 0.00 A C ATOM 474 O LEU A 40 -5.980 -8.162 11.574 1.00 0.00 A O ATOM 475 CB LEU A 40 -5.552 -8.768 8.285 1.00 0.00 A C ATOM 476 CG LEU A 40 -5.729 -9.728 7.098 1.00 0.00 A C ATOM 477 CD1 LEU A 40 -6.186 -8.959 5.861 1.00 0.00 A C ATOM 478 CD2 LEU A 40 -4.437 -10.472 6.816 1.00 0.00 A C ATOM 479 H LEU A 40 -7.378 -9.806 10.118 1.00 0.00 A H ATOM 480 HA LEU A 40 -4.454 -10.071 9.574 1.00 0.00 A H ATOM 481 1HB LEU A 40 -6.443 -8.146 8.342 1.00 0.00 A H ATOM 482 2HB LEU A 40 -4.699 -8.126 8.067 1.00 0.00 A H ATOM 483 HG LEU A 40 -6.510 -10.452 7.329 1.00 0.00 A H ATOM 484 1HD1 LEU A 40 -6.308 -9.651 5.027 1.00 0.00 A H ATOM 485 2HD1 LEU A 40 -7.138 -8.470 6.067 1.00 0.00 A H ATOM 486 3HD1 LEU A 40 -5.440 -8.208 5.603 1.00 0.00 A H ATOM 487 1HD2 LEU A 40 -4.583 -11.147 5.973 1.00 0.00 A H ATOM 488 2HD2 LEU A 40 -3.650 -9.757 6.577 1.00 0.00 A H ATOM 489 3HD2 LEU A 40 -4.149 -11.047 7.696 1.00 0.00 A H ATOM 490 N THR A 41 -3.986 -7.680 10.678 1.00 0.00 A N ATOM 491 CA THR A 41 -3.727 -6.617 11.643 1.00 0.00 A C ATOM 492 C THR A 41 -4.291 -5.291 11.130 1.00 0.00 A C ATOM 493 O THR A 41 -4.508 -5.114 9.933 1.00 0.00 A O ATOM 494 CB THR A 41 -2.220 -6.473 11.927 1.00 0.00 A C ATOM 495 OG1 THR A 41 -1.552 -6.006 10.748 1.00 0.00 A O ATOM 496 CG2 THR A 41 -1.627 -7.809 12.346 1.00 0.00 A C ATOM 497 H THR A 41 -3.289 -7.889 9.978 1.00 0.00 A H ATOM 498 HA THR A 41 -4.211 -6.879 12.584 1.00 0.00 A H ATOM 499 HB THR A 41 -2.068 -5.747 12.725 1.00 0.00 A H ATOM 500 HG1 THR A 41 -0.883 -5.363 10.993 1.00 0.00 A H ATOM 501 1HG2 THR A 41 -0.562 -7.688 12.543 1.00 0.00 A H ATOM 502 2HG2 THR A 41 -2.125 -8.161 13.249 1.00 0.00 A H ATOM 503 3HG2 THR A 41 -1.767 -8.536 11.548 1.00 0.00 A H ATOM 504 N GLU A 42 -4.509 -4.352 12.053 1.00 0.00 A N ATOM 505 CA GLU A 42 -4.938 -3.013 11.676 1.00 0.00 A C ATOM 506 C GLU A 42 -3.964 -2.388 10.685 1.00 0.00 A C ATOM 507 O GLU A 42 -4.361 -1.728 9.728 1.00 0.00 A O ATOM 508 CB GLU A 42 -5.065 -2.124 12.915 1.00 0.00 A C ATOM 509 CG GLU A 42 -6.222 -2.488 13.834 1.00 0.00 A C ATOM 510 CD GLU A 42 -5.899 -3.627 14.760 1.00 0.00 A C ATOM 511 OE1 GLU A 42 -4.812 -4.148 14.673 1.00 0.00 A O ATOM 512 OE2 GLU A 42 -6.739 -3.978 15.554 1.00 0.00 A O ATOM 513 H GLU A 42 -4.376 -4.569 13.030 1.00 0.00 A H ATOM 514 HA GLU A 42 -5.925 -3.082 11.218 1.00 0.00 A H ATOM 515 1HB GLU A 42 -4.145 -2.178 13.498 1.00 0.00 A H ATOM 516 2HB GLU A 42 -5.196 -1.087 12.607 1.00 0.00 A H ATOM 517 1HG GLU A 42 -6.488 -1.615 14.430 1.00 0.00 A H ATOM 518 2HG GLU A 42 -7.086 -2.754 13.226 1.00 0.00 A H ATOM 519 N ARG A 43 -2.672 -2.608 10.929 1.00 0.00 A N ATOM 520 CA ARG A 43 -1.639 -2.061 10.060 1.00 0.00 A C ATOM 521 C ARG A 43 -1.761 -2.612 8.642 1.00 0.00 A C ATOM 522 O ARG A 43 -1.595 -1.874 7.674 1.00 0.00 A O ATOM 523 CB ARG A 43 -0.256 -2.380 10.609 1.00 0.00 A C ATOM 524 CG ARG A 43 0.901 -1.877 9.760 1.00 0.00 A C ATOM 525 CD ARG A 43 2.214 -2.223 10.361 1.00 0.00 A C ATOM 526 NE ARG A 43 2.400 -3.661 10.468 1.00 0.00 A N ATOM 527 CZ ARG A 43 2.771 -4.462 9.450 1.00 0.00 A C ATOM 528 NH1 ARG A 43 2.991 -3.952 8.259 1.00 0.00 A N ATOM 529 NH2 ARG A 43 2.914 -5.761 9.650 1.00 0.00 A N ATOM 530 H ARG A 43 -2.400 -3.162 11.728 1.00 0.00 A H ATOM 531 HA ARG A 43 -1.770 -0.980 10.004 1.00 0.00 A H ATOM 532 1HB ARG A 43 -0.150 -1.944 11.601 1.00 0.00 A H ATOM 533 2HB ARG A 43 -0.145 -3.459 10.712 1.00 0.00 A H ATOM 534 1HG ARG A 43 0.848 -2.329 8.769 1.00 0.00 A H ATOM 535 2HG ARG A 43 0.840 -0.792 9.667 1.00 0.00 A H ATOM 536 1HD ARG A 43 3.015 -1.820 9.741 1.00 0.00 A H ATOM 537 2HD ARG A 43 2.280 -1.795 11.361 1.00 0.00 A H ATOM 538 HE ARG A 43 2.240 -4.090 11.370 1.00 0.00 A H ATOM 539 1HH1 ARG A 43 2.882 -2.959 8.106 1.00 0.00 A H ATOM 540 2HH1 ARG A 43 3.268 -4.553 7.496 1.00 0.00 A H ATOM 541 1HH2 ARG A 43 2.745 -6.153 10.566 1.00 0.00 A H ATOM 542 2HH2 ARG A 43 3.191 -6.361 8.888 1.00 0.00 A H ATOM 543 N GLN A 44 -2.042 -3.907 8.508 1.00 0.00 A N ATOM 544 CA GLN A 44 -2.210 -4.516 7.195 1.00 0.00 A C ATOM 545 C GLN A 44 -3.405 -3.926 6.451 1.00 0.00 A C ATOM 546 O GLN A 44 -3.328 -3.670 5.247 1.00 0.00 A O ATOM 547 CB GLN A 44 -2.361 -6.035 7.327 1.00 0.00 A C ATOM 548 CG GLN A 44 -1.065 -6.751 7.642 1.00 0.00 A C ATOM 549 CD GLN A 44 -1.263 -8.242 7.860 1.00 0.00 A C ATOM 550 OE1 GLN A 44 -2.135 -8.651 8.625 1.00 0.00 A O ATOM 551 NE2 GLN A 44 -0.466 -9.066 7.193 1.00 0.00 A N ATOM 552 H GLN A 44 -2.141 -4.481 9.333 1.00 0.00 A H ATOM 553 HA GLN A 44 -1.322 -4.304 6.599 1.00 0.00 A H ATOM 554 1HB GLN A 44 -3.076 -6.262 8.117 1.00 0.00 A H ATOM 555 2HB GLN A 44 -2.759 -6.443 6.398 1.00 0.00 A H ATOM 556 1HG GLN A 44 -0.376 -6.617 6.808 1.00 0.00 A H ATOM 557 2HG GLN A 44 -0.639 -6.327 8.551 1.00 0.00 A H ATOM 558 1HE2 GLN A 44 -0.561 -10.056 7.306 1.00 0.00 A H ATOM 559 2HE2 GLN A 44 0.230 -8.699 6.576 1.00 0.00 A H ATOM 560 N ILE A 45 -4.512 -3.712 7.161 1.00 0.00 A N ATOM 561 CA ILE A 45 -5.702 -3.112 6.542 1.00 0.00 A C ATOM 562 C ILE A 45 -5.391 -1.694 6.082 1.00 0.00 A C ATOM 563 O ILE A 45 -5.740 -1.298 4.968 1.00 0.00 A O ATOM 564 CB ILE A 45 -6.897 -3.106 7.515 1.00 0.00 A C ATOM 565 CG1 ILE A 45 -7.262 -4.531 7.942 1.00 0.00 A C ATOM 566 CG2 ILE A 45 -8.099 -2.409 6.881 1.00 0.00 A C ATOM 567 CD1 ILE A 45 -7.645 -5.460 6.797 1.00 0.00 A C ATOM 568 H ILE A 45 -4.540 -3.964 8.139 1.00 0.00 A H ATOM 569 HA ILE A 45 -5.975 -3.706 5.671 1.00 0.00 A H ATOM 570 HB ILE A 45 -6.621 -2.577 8.427 1.00 0.00 A H ATOM 571 1HG1 ILE A 45 -6.421 -4.979 8.469 1.00 0.00 A H ATOM 572 2HG1 ILE A 45 -8.102 -4.498 8.637 1.00 0.00 A H ATOM 573 1HG2 ILE A 45 -8.934 -2.414 7.582 1.00 0.00 A H ATOM 574 2HG2 ILE A 45 -7.836 -1.380 6.638 1.00 0.00 A H ATOM 575 3HG2 ILE A 45 -8.386 -2.934 5.970 1.00 0.00 A H ATOM 576 1HD1 ILE A 45 -7.888 -6.446 7.194 1.00 0.00 A H ATOM 577 2HD1 ILE A 45 -8.512 -5.056 6.274 1.00 0.00 A H ATOM 578 3HD1 ILE A 45 -6.809 -5.545 6.104 1.00 0.00 A H ATOM 579 N LYS A 46 -4.725 -0.913 6.935 1.00 0.00 A N ATOM 580 CA LYS A 46 -4.355 0.460 6.600 1.00 0.00 A C ATOM 581 C LYS A 46 -3.509 0.512 5.330 1.00 0.00 A C ATOM 582 O LYS A 46 -3.775 1.302 4.427 1.00 0.00 A O ATOM 583 CB LYS A 46 -3.610 1.102 7.768 1.00 0.00 A C ATOM 584 CG LYS A 46 -3.151 2.530 7.507 1.00 0.00 A C ATOM 585 CD LYS A 46 -2.300 3.072 8.659 1.00 0.00 A C ATOM 586 CE LYS A 46 -0.946 2.387 8.722 1.00 0.00 A C ATOM 587 NZ LYS A 46 -0.073 2.973 9.765 1.00 0.00 A N ATOM 588 H LYS A 46 -4.470 -1.285 7.839 1.00 0.00 A H ATOM 589 HA LYS A 46 -5.267 1.027 6.409 1.00 0.00 A H ATOM 590 1HB LYS A 46 -4.253 1.111 8.649 1.00 0.00 A H ATOM 591 2HB LYS A 46 -2.731 0.505 8.011 1.00 0.00 A H ATOM 592 1HG LYS A 46 -2.560 2.561 6.590 1.00 0.00 A H ATOM 593 2HG LYS A 46 -4.020 3.174 7.379 1.00 0.00 A H ATOM 594 1HD LYS A 46 -2.148 4.144 8.527 1.00 0.00 A H ATOM 595 2HD LYS A 46 -2.820 2.910 9.603 1.00 0.00 A H ATOM 596 1HE LYS A 46 -1.084 1.328 8.935 1.00 0.00 A H ATOM 597 2HE LYS A 46 -0.447 2.478 7.757 1.00 0.00 A H ATOM 598 1HZ LYS A 46 0.814 2.491 9.772 1.00 0.00 A H ATOM 599 2HZ LYS A 46 0.078 3.953 9.567 1.00 0.00 A H ATOM 600 3HZ LYS A 46 -0.516 2.877 10.668 1.00 0.00 A H ATOM 601 N ILE A 47 -2.484 -0.341 5.273 1.00 0.00 A N ATOM 602 CA ILE A 47 -1.579 -0.364 4.128 1.00 0.00 A C ATOM 603 C ILE A 47 -2.295 -0.830 2.862 1.00 0.00 A C ATOM 604 O ILE A 47 -2.073 -0.276 1.779 1.00 0.00 A O ATOM 605 CB ILE A 47 -0.372 -1.280 4.403 1.00 0.00 A C ATOM 606 CG1 ILE A 47 0.512 -0.683 5.500 1.00 0.00 A C ATOM 607 CG2 ILE A 47 0.429 -1.500 3.129 1.00 0.00 A C ATOM 608 CD1 ILE A 47 1.566 -1.634 6.020 1.00 0.00 A C ATOM 609 H ILE A 47 -2.329 -0.985 6.036 1.00 0.00 A H ATOM 610 HA ILE A 47 -1.233 0.652 3.940 1.00 0.00 A H ATOM 611 HB ILE A 47 -0.724 -2.244 4.770 1.00 0.00 A H ATOM 612 1HG1 ILE A 47 1.013 0.207 5.120 1.00 0.00 A H ATOM 613 2HG1 ILE A 47 -0.110 -0.373 6.340 1.00 0.00 A H ATOM 614 1HG2 ILE A 47 1.279 -2.149 3.341 1.00 0.00 A H ATOM 615 2HG2 ILE A 47 -0.205 -1.966 2.376 1.00 0.00 A H ATOM 616 3HG2 ILE A 47 0.790 -0.541 2.756 1.00 0.00 A H ATOM 617 1HD1 ILE A 47 2.152 -1.140 6.795 1.00 0.00 A H ATOM 618 2HD1 ILE A 47 1.084 -2.518 6.438 1.00 0.00 A H ATOM 619 3HD1 ILE A 47 2.223 -1.931 5.203 1.00 0.00 A H ATOM 620 N TRP A 48 -3.155 -1.843 2.977 1.00 0.00 A N ATOM 621 CA TRP A 48 -3.891 -2.324 1.822 1.00 0.00 A C ATOM 622 C TRP A 48 -4.706 -1.190 1.188 1.00 0.00 A C ATOM 623 O TRP A 48 -4.682 -1.015 -0.034 1.00 0.00 A O ATOM 624 CB TRP A 48 -4.820 -3.490 2.192 1.00 0.00 A C ATOM 625 CG TRP A 48 -5.425 -4.159 0.984 1.00 0.00 A C ATOM 626 CD1 TRP A 48 -4.923 -5.256 0.329 1.00 0.00 A C ATOM 627 CD2 TRP A 48 -6.602 -3.771 0.267 1.00 0.00 A C ATOM 628 NE1 TRP A 48 -5.722 -5.570 -0.742 1.00 0.00 A N ATOM 629 CE2 TRP A 48 -6.761 -4.675 -0.809 1.00 0.00 A C ATOM 630 CE3 TRP A 48 -7.547 -2.755 0.430 1.00 0.00 A C ATOM 631 CZ2 TRP A 48 -7.820 -4.579 -1.715 1.00 0.00 A C ATOM 632 CZ3 TRP A 48 -8.607 -2.663 -0.474 1.00 0.00 A C ATOM 633 CH2 TRP A 48 -8.734 -3.566 -1.534 1.00 0.00 A C ATOM 634 H TRP A 48 -3.302 -2.286 3.873 1.00 0.00 A H ATOM 635 HA TRP A 48 -3.176 -2.681 1.081 1.00 0.00 A H ATOM 636 1HB TRP A 48 -4.262 -4.233 2.762 1.00 0.00 A H ATOM 637 2HB TRP A 48 -5.625 -3.126 2.830 1.00 0.00 A H ATOM 638 HD1 TRP A 48 -4.024 -5.797 0.619 1.00 0.00 A H ATOM 639 HE1 TRP A 48 -5.572 -6.335 -1.384 1.00 0.00 A H ATOM 640 HE3 TRP A 48 -7.456 -2.049 1.255 1.00 0.00 A H ATOM 641 HZ2 TRP A 48 -7.937 -5.276 -2.545 1.00 0.00 A H ATOM 642 HZ3 TRP A 48 -9.335 -1.865 -0.332 1.00 0.00 A H ATOM 643 HH2 TRP A 48 -9.568 -3.468 -2.229 1.00 0.00 A H ATOM 644 N PHE A 49 -5.419 -0.431 2.008 1.00 0.00 A N ATOM 645 CA PHE A 49 -6.217 0.676 1.490 1.00 0.00 A C ATOM 646 C PHE A 49 -5.349 1.785 0.900 1.00 0.00 A C ATOM 647 O PHE A 49 -5.698 2.365 -0.127 1.00 0.00 A O ATOM 648 CB PHE A 49 -7.155 1.213 2.571 1.00 0.00 A C ATOM 649 CG PHE A 49 -8.457 0.467 2.646 1.00 0.00 A C ATOM 650 CD1 PHE A 49 -8.516 -0.802 3.202 1.00 0.00 A C ATOM 651 CD2 PHE A 49 -9.610 1.024 2.112 1.00 0.00 A C ATOM 652 CE1 PHE A 49 -9.711 -1.505 3.231 1.00 0.00 A C ATOM 653 CE2 PHE A 49 -10.815 0.327 2.141 1.00 0.00 A C ATOM 654 CZ PHE A 49 -10.860 -0.938 2.702 1.00 0.00 A C ATOM 655 H PHE A 49 -5.416 -0.612 3.001 1.00 0.00 A H ATOM 656 HA PHE A 49 -6.819 0.308 0.658 1.00 0.00 A H ATOM 657 1HB PHE A 49 -6.664 1.152 3.542 1.00 0.00 A H ATOM 658 2HB PHE A 49 -7.367 2.264 2.378 1.00 0.00 A H ATOM 659 HD1 PHE A 49 -7.610 -1.243 3.620 1.00 0.00 A H ATOM 660 HD2 PHE A 49 -9.568 2.020 1.671 1.00 0.00 A H ATOM 661 HE1 PHE A 49 -9.745 -2.502 3.670 1.00 0.00 A H ATOM 662 HE2 PHE A 49 -11.719 0.770 1.724 1.00 0.00 A H ATOM 663 HZ PHE A 49 -11.800 -1.487 2.725 1.00 0.00 A H ATOM 664 N GLN A 50 -4.219 2.077 1.538 1.00 0.00 A N ATOM 665 CA GLN A 50 -3.284 3.051 0.989 1.00 0.00 A C ATOM 666 C GLN A 50 -2.870 2.671 -0.433 1.00 0.00 A C ATOM 667 O GLN A 50 -2.949 3.483 -1.355 1.00 0.00 A O ATOM 668 CB GLN A 50 -2.047 3.170 1.884 1.00 0.00 A C ATOM 669 CG GLN A 50 -2.302 3.864 3.211 1.00 0.00 A C ATOM 670 CD GLN A 50 -1.078 3.871 4.105 1.00 0.00 A C ATOM 671 OE1 GLN A 50 -0.228 2.979 4.026 1.00 0.00 A O ATOM 672 NE2 GLN A 50 -0.979 4.879 4.964 1.00 0.00 A N ATOM 673 H GLN A 50 -3.999 1.623 2.413 1.00 0.00 A H ATOM 674 HA GLN A 50 -3.781 4.020 0.944 1.00 0.00 A H ATOM 675 1HB GLN A 50 -1.654 2.175 2.095 1.00 0.00 A H ATOM 676 2HB GLN A 50 -1.270 3.724 1.358 1.00 0.00 A H ATOM 677 1HG GLN A 50 -2.592 4.897 3.019 1.00 0.00 A H ATOM 678 2HG GLN A 50 -3.105 3.343 3.733 1.00 0.00 A H ATOM 679 1HE2 GLN A 50 -0.193 4.937 5.581 1.00 0.00 A H ATOM 680 2HE2 GLN A 50 -1.691 5.581 4.996 1.00 0.00 A H ATOM 681 N ASN A 51 -2.447 1.386 -0.589 1.00 0.00 A N ATOM 682 CA ASN A 51 -2.028 0.828 -1.874 1.00 0.00 A C ATOM 683 C ASN A 51 -3.179 0.809 -2.871 1.00 0.00 A C ATOM 684 O ASN A 51 -3.008 1.129 -4.050 1.00 0.00 A O ATOM 685 CB ASN A 51 -1.480 -0.593 -1.678 1.00 0.00 A C ATOM 686 CG ASN A 51 -0.070 -0.610 -1.112 1.00 0.00 A C ATOM 687 OD1 ASN A 51 0.692 0.344 -1.271 1.00 0.00 A O ATOM 688 ND2 ASN A 51 0.299 -1.698 -0.460 1.00 0.00 A N ATOM 689 H ASN A 51 -2.470 0.787 0.223 1.00 0.00 A H ATOM 690 HA ASN A 51 -1.237 1.458 -2.283 1.00 0.00 A H ATOM 691 1HB ASN A 51 -2.134 -1.146 -1.003 1.00 0.00 A H ATOM 692 2HB ASN A 51 -1.478 -1.117 -2.635 1.00 0.00 A H ATOM 693 1HD2 ASN A 51 1.217 -1.759 -0.068 1.00 0.00 A H ATOM 694 2HD2 ASN A 51 -0.340 -2.460 -0.359 1.00 0.00 A H ATOM 695 N CYS A 52 -4.366 0.438 -2.409 1.00 0.00 A N ATOM 696 CA CYS A 52 -5.524 0.339 -3.294 1.00 0.00 A C ATOM 697 C CYS A 52 -5.969 1.715 -3.789 1.00 0.00 A C ATOM 698 O CYS A 52 -6.318 1.865 -4.957 1.00 0.00 A O ATOM 699 CB CYS A 52 -6.691 -0.340 -2.577 1.00 0.00 A C ATOM 700 SG CYS A 52 -8.119 -0.670 -3.637 1.00 0.00 A S ATOM 701 H CYS A 52 -4.476 0.219 -1.429 1.00 0.00 A H ATOM 702 HA CYS A 52 -5.239 -0.239 -4.174 1.00 0.00 A H ATOM 703 1HB CYS A 52 -6.357 -1.288 -2.156 1.00 0.00 A H ATOM 704 2HB CYS A 52 -7.023 0.287 -1.749 1.00 0.00 A H ATOM 705 HG CYS A 52 -8.867 -1.230 -2.692 1.00 0.00 A H ATOM 706 N ARG A 53 -5.935 2.718 -2.902 1.00 0.00 A N ATOM 707 CA ARG A 53 -6.241 4.087 -3.308 1.00 0.00 A C ATOM 708 C ARG A 53 -5.296 4.567 -4.398 1.00 0.00 A C ATOM 709 O ARG A 53 -5.728 5.193 -5.372 1.00 0.00 A O ATOM 710 CB ARG A 53 -6.153 5.030 -2.117 1.00 0.00 A C ATOM 711 CG ARG A 53 -7.343 4.982 -1.173 1.00 0.00 A C ATOM 712 CD ARG A 53 -7.335 6.121 -0.220 1.00 0.00 A C ATOM 713 NE ARG A 53 -6.278 5.991 0.771 1.00 0.00 A N ATOM 714 CZ ARG A 53 -6.427 5.407 1.976 1.00 0.00 A C ATOM 715 NH1 ARG A 53 -7.591 4.904 2.324 1.00 0.00 A N ATOM 716 NH2 ARG A 53 -5.402 5.339 2.808 1.00 0.00 A N ATOM 717 H ARG A 53 -5.697 2.531 -1.938 1.00 0.00 A H ATOM 718 HA ARG A 53 -7.255 4.111 -3.707 1.00 0.00 A H ATOM 719 1HB ARG A 53 -5.261 4.799 -1.535 1.00 0.00 A H ATOM 720 2HB ARG A 53 -6.055 6.056 -2.472 1.00 0.00 A H ATOM 721 1HG ARG A 53 -8.267 5.025 -1.750 1.00 0.00 A H ATOM 722 2HG ARG A 53 -7.316 4.055 -0.600 1.00 0.00 A H ATOM 723 1HD ARG A 53 -7.178 7.051 -0.765 1.00 0.00 A H ATOM 724 2HD ARG A 53 -8.289 6.164 0.304 1.00 0.00 A H ATOM 725 HE ARG A 53 -5.368 6.366 0.539 1.00 0.00 A H ATOM 726 1HH1 ARG A 53 -8.374 4.957 1.688 1.00 0.00 A H ATOM 727 2HH1 ARG A 53 -7.702 4.467 3.227 1.00 0.00 A H ATOM 728 1HH2 ARG A 53 -4.507 5.725 2.540 1.00 0.00 A H ATOM 729 2HH2 ARG A 53 -5.513 4.901 3.710 1.00 0.00 A H ATOM 730 N MET A 54 -3.997 4.295 -4.252 1.00 0.00 A N ATOM 731 CA MET A 54 -3.033 4.674 -5.275 1.00 0.00 A C ATOM 732 C MET A 54 -3.360 4.005 -6.604 1.00 0.00 A C ATOM 733 O MET A 54 -3.301 4.639 -7.660 1.00 0.00 A O ATOM 734 CB MET A 54 -1.617 4.313 -4.829 1.00 0.00 A C ATOM 735 CG MET A 54 -1.065 5.191 -3.715 1.00 0.00 A C ATOM 736 SD MET A 54 -1.016 6.937 -4.165 1.00 0.00 A S ATOM 737 CE MET A 54 0.193 6.912 -5.486 1.00 0.00 A C ATOM 738 H MET A 54 -3.673 3.819 -3.422 1.00 0.00 A H ATOM 739 HA MET A 54 -3.086 5.753 -5.418 1.00 0.00 A H ATOM 740 1HB MET A 54 -1.597 3.281 -4.481 1.00 0.00 A H ATOM 741 2HB MET A 54 -0.938 4.385 -5.679 1.00 0.00 A H ATOM 742 1HG MET A 54 -1.684 5.082 -2.825 1.00 0.00 A H ATOM 743 2HG MET A 54 -0.053 4.872 -3.467 1.00 0.00 A H ATOM 744 1HE MET A 54 0.333 7.923 -5.870 1.00 0.00 A H ATOM 745 2HE MET A 54 1.141 6.533 -5.103 1.00 0.00 A H ATOM 746 3HE MET A 54 -0.159 6.265 -6.289 1.00 0.00 A H ATOM 747 N ILE A 55 -3.717 2.724 -6.557 1.00 0.00 A N ATOM 748 CA ILE A 55 -4.123 2.006 -7.761 1.00 0.00 A C ATOM 749 C ILE A 55 -5.312 2.707 -8.426 1.00 0.00 A C ATOM 750 O ILE A 55 -5.299 2.932 -9.636 1.00 0.00 A O ATOM 751 CB ILE A 55 -4.494 0.547 -7.436 1.00 0.00 A C ATOM 752 CG1 ILE A 55 -3.250 -0.238 -7.013 1.00 0.00 A C ATOM 753 CG2 ILE A 55 -5.161 -0.111 -8.633 1.00 0.00 A C ATOM 754 CD1 ILE A 55 -3.558 -1.587 -6.403 1.00 0.00 A C ATOM 755 H ILE A 55 -3.708 2.237 -5.672 1.00 0.00 A H ATOM 756 HA ILE A 55 -3.286 2.001 -8.460 1.00 0.00 A H ATOM 757 HB ILE A 55 -5.182 0.527 -6.592 1.00 0.00 A H ATOM 758 1HG1 ILE A 55 -2.606 -0.393 -7.878 1.00 0.00 A H ATOM 759 2HG1 ILE A 55 -2.683 0.343 -6.285 1.00 0.00 A H ATOM 760 1HG2 ILE A 55 -5.416 -1.142 -8.387 1.00 0.00 A H ATOM 761 2HG2 ILE A 55 -6.068 0.435 -8.890 1.00 0.00 A H ATOM 762 3HG2 ILE A 55 -4.478 -0.100 -9.483 1.00 0.00 A H ATOM 763 1HD1 ILE A 55 -2.626 -2.083 -6.128 1.00 0.00 A H ATOM 764 2HD1 ILE A 55 -4.173 -1.452 -5.513 1.00 0.00 A H ATOM 765 3HD1 ILE A 55 -4.094 -2.199 -7.126 1.00 0.00 A H ATOM 766 N TRP A 56 -6.317 3.055 -7.630 1.00 0.00 A N ATOM 767 CA TRP A 56 -7.502 3.737 -8.152 1.00 0.00 A C ATOM 768 C TRP A 56 -7.109 5.007 -8.905 1.00 0.00 A C ATOM 769 O TRP A 56 -7.582 5.252 -10.016 1.00 0.00 A O ATOM 770 CB TRP A 56 -8.462 4.068 -7.006 1.00 0.00 A C ATOM 771 CG TRP A 56 -9.763 4.648 -7.462 1.00 0.00 A C ATOM 772 CD1 TRP A 56 -10.909 3.969 -7.756 1.00 0.00 A C ATOM 773 CD2 TRP A 56 -10.058 6.035 -7.694 1.00 0.00 A C ATOM 774 NE1 TRP A 56 -11.888 4.829 -8.151 1.00 0.00 A N ATOM 775 CE2 TRP A 56 -11.403 6.117 -8.132 1.00 0.00 A C ATOM 776 CE3 TRP A 56 -9.323 7.221 -7.581 1.00 0.00 A C ATOM 777 CZ2 TRP A 56 -12.026 7.333 -8.452 1.00 0.00 A C ATOM 778 CZ3 TRP A 56 -9.944 8.430 -7.901 1.00 0.00 A C ATOM 779 CH2 TRP A 56 -11.272 8.477 -8.330 1.00 0.00 A C ATOM 780 H TRP A 56 -6.265 2.845 -6.643 1.00 0.00 A H ATOM 781 HA TRP A 56 -8.005 3.069 -8.852 1.00 0.00 A H ATOM 782 1HB TRP A 56 -8.673 3.164 -6.435 1.00 0.00 A H ATOM 783 2HB TRP A 56 -7.989 4.779 -6.330 1.00 0.00 A H ATOM 784 HD1 TRP A 56 -11.028 2.889 -7.687 1.00 0.00 A H ATOM 785 HE1 TRP A 56 -12.827 4.570 -8.418 1.00 0.00 A H ATOM 786 HE3 TRP A 56 -8.287 7.199 -7.246 1.00 0.00 A H ATOM 787 HZ2 TRP A 56 -13.064 7.383 -8.782 1.00 0.00 A H ATOM 788 HZ3 TRP A 56 -9.356 9.344 -7.807 1.00 0.00 A H ATOM 789 HH2 TRP A 56 -11.719 9.441 -8.573 1.00 0.00 A H ATOM 790 N LYS A 57 -6.239 5.814 -8.305 1.00 0.00 A N ATOM 791 CA LYS A 57 -5.800 7.054 -8.924 1.00 0.00 A C ATOM 792 C LYS A 57 -5.166 6.804 -10.292 1.00 0.00 A C ATOM 793 O LYS A 57 -5.471 7.503 -11.259 1.00 0.00 A O ATOM 794 CB LYS A 57 -4.812 7.781 -8.010 1.00 0.00 A C ATOM 795 CG LYS A 57 -5.443 8.406 -6.773 1.00 0.00 A C ATOM 796 CD LYS A 57 -4.399 9.099 -5.910 1.00 0.00 A C ATOM 797 CE LYS A 57 -5.021 9.684 -4.650 1.00 0.00 A C ATOM 798 NZ LYS A 57 -5.992 10.768 -4.960 1.00 0.00 A N ATOM 799 H LYS A 57 -5.875 5.561 -7.398 1.00 0.00 A H ATOM 800 HA LYS A 57 -6.672 7.690 -9.082 1.00 0.00 A H ATOM 801 1HB LYS A 57 -4.043 7.084 -7.677 1.00 0.00 A H ATOM 802 2HB LYS A 57 -4.315 8.575 -8.569 1.00 0.00 A H ATOM 803 1HG LYS A 57 -6.194 9.137 -7.076 1.00 0.00 A H ATOM 804 2HG LYS A 57 -5.933 7.632 -6.183 1.00 0.00 A H ATOM 805 1HD LYS A 57 -3.628 8.382 -5.626 1.00 0.00 A H ATOM 806 2HD LYS A 57 -3.932 9.903 -6.479 1.00 0.00 A H ATOM 807 1HE LYS A 57 -5.536 8.898 -4.100 1.00 0.00 A H ATOM 808 2HE LYS A 57 -4.236 10.089 -4.011 1.00 0.00 A H ATOM 809 1HZ LYS A 57 -6.380 11.129 -4.100 1.00 0.00 A H ATOM 810 2HZ LYS A 57 -5.520 11.513 -5.455 1.00 0.00 A H ATOM 811 3HZ LYS A 57 -6.735 10.401 -5.536 1.00 0.00 A H ATOM 812 N LYS A 58 -4.281 5.804 -10.380 1.00 0.00 A N ATOM 813 CA LYS A 58 -3.639 5.470 -11.646 1.00 0.00 A C ATOM 814 C LYS A 58 -4.662 5.086 -12.714 1.00 0.00 A C ATOM 815 O LYS A 58 -4.507 5.442 -13.882 1.00 0.00 A O ATOM 816 CB LYS A 58 -2.635 4.333 -11.449 1.00 0.00 A C ATOM 817 CG LYS A 58 -1.398 4.718 -10.648 1.00 0.00 A C ATOM 818 CD LYS A 58 -0.476 3.524 -10.447 1.00 0.00 A C ATOM 819 CE LYS A 58 0.748 3.901 -9.626 1.00 0.00 A C ATOM 820 NZ LYS A 58 1.641 2.734 -9.391 1.00 0.00 A N ATOM 821 H LYS A 58 -4.050 5.268 -9.555 1.00 0.00 A H ATOM 822 HA LYS A 58 -3.102 6.349 -12.004 1.00 0.00 A H ATOM 823 1HB LYS A 58 -3.122 3.503 -10.935 1.00 0.00 A H ATOM 824 2HB LYS A 58 -2.304 3.967 -12.421 1.00 0.00 A H ATOM 825 1HG LYS A 58 -0.853 5.502 -11.174 1.00 0.00 A H ATOM 826 2HG LYS A 58 -1.700 5.101 -9.674 1.00 0.00 A H ATOM 827 1HD LYS A 58 -1.017 2.729 -9.933 1.00 0.00 A H ATOM 828 2HD LYS A 58 -0.150 3.150 -11.417 1.00 0.00 A H ATOM 829 1HE LYS A 58 1.311 4.675 -10.147 1.00 0.00 A H ATOM 830 2HE LYS A 58 0.431 4.300 -8.663 1.00 0.00 A H ATOM 831 1HZ LYS A 58 2.439 3.025 -8.844 1.00 0.00 A H ATOM 832 2HZ LYS A 58 1.134 2.017 -8.891 1.00 0.00 A H ATOM 833 3HZ LYS A 58 1.957 2.367 -10.277 1.00 0.00 A H ATOM 834 N GLU A 59 -5.702 4.358 -12.317 1.00 0.00 A N ATOM 835 CA GLU A 59 -6.719 3.895 -13.261 1.00 0.00 A C ATOM 836 C GLU A 59 -7.688 5.003 -13.678 1.00 0.00 A C ATOM 837 O GLU A 59 -8.302 4.917 -14.746 1.00 0.00 A O ATOM 838 CB GLU A 59 -7.505 2.732 -12.652 1.00 0.00 A C ATOM 839 CG GLU A 59 -6.709 1.443 -12.506 1.00 0.00 A C ATOM 840 CD GLU A 59 -7.524 0.313 -11.941 1.00 0.00 A C ATOM 841 OE1 GLU A 59 -8.651 0.544 -11.574 1.00 0.00 A O ATOM 842 OE2 GLU A 59 -7.018 -0.783 -11.876 1.00 0.00 A O ATOM 843 H GLU A 59 -5.792 4.119 -11.340 1.00 0.00 A H ATOM 844 HA GLU A 59 -6.219 3.550 -14.167 1.00 0.00 A H ATOM 845 1HB GLU A 59 -7.867 3.015 -11.663 1.00 0.00 A H ATOM 846 2HB GLU A 59 -8.377 2.519 -13.270 1.00 0.00 A H ATOM 847 1HG GLU A 59 -6.332 1.149 -13.485 1.00 0.00 A H ATOM 848 2HG GLU A 59 -5.854 1.628 -11.858 1.00 0.00 A H ATOM 849 N HIS A 60 -7.832 6.026 -12.840 1.00 0.00 A N ATOM 850 CA HIS A 60 -8.813 7.077 -13.095 1.00 0.00 A C ATOM 851 C HIS A 60 -8.177 8.456 -13.263 1.00 0.00 A C ATOM 852 O HIS A 60 -8.875 9.473 -13.189 1.00 0.00 A O ATOM 853 CB HIS A 60 -9.840 7.128 -11.959 1.00 0.00 A C ATOM 854 CG HIS A 60 -10.634 5.868 -11.809 1.00 0.00 A C ATOM 855 ND1 HIS A 60 -10.141 4.749 -11.171 1.00 0.00 A N ATOM 856 CD2 HIS A 60 -11.885 5.548 -12.215 1.00 0.00 A C ATOM 857 CE1 HIS A 60 -11.056 3.796 -11.190 1.00 0.00 A C ATOM 858 NE2 HIS A 60 -12.123 4.256 -11.818 1.00 0.00 A N ATOM 859 H HIS A 60 -7.256 6.081 -12.012 1.00 0.00 A H ATOM 860 HA HIS A 60 -9.327 6.875 -14.034 1.00 0.00 A H ATOM 861 1HB HIS A 60 -9.329 7.324 -11.015 1.00 0.00 A H ATOM 862 2HB HIS A 60 -10.534 7.950 -12.133 1.00 0.00 A H ATOM 863 HD1 HIS A 60 -9.267 4.680 -10.689 1.00 0.00 A H ATOM 864 HD2 HIS A 60 -12.653 6.104 -12.755 1.00 0.00 A H ATOM 865 HE1 HIS A 60 -10.858 2.827 -10.732 1.00 0.00 A H TER ATOM 867 P DG B 5 -1.103 -4.633 -14.342 1.00 0.00 B P ATOM 868 OP2 DG B 5 -0.508 -3.279 -14.237 1.00 0.00 B O ATOM 869 OP1 DG B 5 -2.487 -4.805 -14.830 1.00 0.00 B O ATOM 870 O5' DG B 5 -0.985 -5.341 -12.915 1.00 0.00 B O ATOM 871 C5' DG B 5 -1.273 -6.721 -12.790 1.00 0.00 B C ATOM 872 C4' DG B 5 -0.885 -7.222 -11.415 1.00 0.00 B C ATOM 873 O4' DG B 5 0.550 -7.272 -11.294 1.00 0.00 B O ATOM 874 C3' DG B 5 -1.390 -6.364 -10.257 1.00 0.00 B C ATOM 875 O3' DG B 5 -2.098 -7.191 -9.350 1.00 0.00 B O ATOM 876 C2' DG B 5 -0.107 -5.789 -9.638 1.00 0.00 B C ATOM 877 C1' DG B 5 0.927 -6.844 -10.016 1.00 0.00 B C ATOM 878 N9 DG B 5 2.296 -6.345 -10.097 1.00 0.00 B N ATOM 879 C4 DG B 5 3.396 -6.872 -9.465 1.00 0.00 B C ATOM 880 N3 DG B 5 3.405 -7.953 -8.657 1.00 0.00 B N ATOM 881 C2 DG B 5 4.617 -8.214 -8.195 1.00 0.00 B C ATOM 882 N1 DG B 5 5.732 -7.474 -8.503 1.00 0.00 B N ATOM 883 C6 DG B 5 5.745 -6.358 -9.334 1.00 0.00 B C ATOM 884 C5 DG B 5 4.451 -6.066 -9.837 1.00 0.00 B C ATOM 885 N7 DG B 5 4.023 -5.055 -10.685 1.00 0.00 B N ATOM 886 C8 DG B 5 2.741 -5.260 -10.812 1.00 0.00 B C ATOM 887 N2 DG B 5 4.806 -9.257 -7.374 1.00 0.00 B N ATOM 888 O6 DG B 5 6.808 -5.761 -9.547 1.00 0.00 B O ATOM 889 WN7 DG B 5 5.071 -2.695 -11.365 1.00 0.00 B O ATOM 890 H5'' DG B 5 -2.346 -6.897 -12.960 1.00 0.00 B H ATOM 891 H5' DG B 5 -0.729 -7.289 -13.558 1.00 0.00 B H ATOM 892 H4' DG B 5 -1.370 -8.206 -11.334 1.00 0.00 B H ATOM 893 H3' DG B 5 -2.075 -5.562 -10.571 1.00 0.00 B H ATOM 894 H2'' DG B 5 -0.226 -5.701 -8.548 1.00 0.00 B H ATOM 895 H2' DG B 5 0.166 -4.791 -10.013 1.00 0.00 B H ATOM 896 H1' DG B 5 0.928 -7.636 -9.253 1.00 0.00 B H ATOM 897 H1 DG B 5 6.602 -7.759 -8.100 1.00 0.00 B H ATOM 898 H8 DG B 5 2.085 -4.629 -11.429 1.00 0.00 B H ATOM 899 H22 DG B 5 4.033 -9.835 -7.113 1.00 0.00 B H ATOM 900 H21 DG B 5 5.721 -9.458 -7.023 1.00 0.00 B H ATOM 901 P DT B 6 -2.908 -6.578 -8.121 1.00 0.00 B P ATOM 902 OP2 DT B 6 -3.074 -5.118 -8.334 1.00 0.00 B O ATOM 903 OP1 DT B 6 -4.090 -7.430 -7.894 1.00 0.00 B O ATOM 904 O5' DT B 6 -1.900 -6.787 -6.911 1.00 0.00 B O ATOM 905 C5' DT B 6 -1.432 -8.091 -6.586 1.00 0.00 B C ATOM 906 C4' DT B 6 -0.482 -8.029 -5.417 1.00 0.00 B C ATOM 907 O4' DT B 6 0.825 -7.582 -5.860 1.00 0.00 B O ATOM 908 C3' DT B 6 -0.900 -7.065 -4.299 1.00 0.00 B C ATOM 909 O3' DT B 6 -0.670 -7.670 -3.044 1.00 0.00 B O ATOM 910 C2' DT B 6 0.055 -5.884 -4.501 1.00 0.00 B C ATOM 911 C1' DT B 6 1.303 -6.616 -4.969 1.00 0.00 B C ATOM 912 N1 DT B 6 2.306 -5.780 -5.660 1.00 0.00 B N ATOM 913 C2 DT B 6 3.645 -6.057 -5.436 1.00 0.00 B C ATOM 914 O2 DT B 6 4.027 -6.948 -4.700 1.00 0.00 B O ATOM 915 N3 DT B 6 4.522 -5.245 -6.120 1.00 0.00 B N ATOM 916 C4 DT B 6 4.199 -4.213 -6.967 1.00 0.00 B C ATOM 917 O4 DT B 6 5.082 -3.558 -7.520 1.00 0.00 B O ATOM 918 C5 DT B 6 2.799 -3.971 -7.163 1.00 0.00 B C ATOM 919 C7 DT B 6 2.345 -2.872 -8.066 1.00 0.00 B C ATOM 920 C6 DT B 6 1.922 -4.761 -6.504 1.00 0.00 B C ATOM 921 H5'' DT B 6 -2.283 -8.744 -6.342 1.00 0.00 B H ATOM 922 H5' DT B 6 -0.925 -8.535 -7.455 1.00 0.00 B H ATOM 923 H4' DT B 6 -0.483 -9.050 -5.007 1.00 0.00 B H ATOM 924 H3' DT B 6 -1.964 -6.790 -4.332 1.00 0.00 B H ATOM 925 H2'' DT B 6 0.191 -5.424 -3.511 1.00 0.00 B H ATOM 926 H2' DT B 6 -0.236 -5.079 -5.192 1.00 0.00 B H ATOM 927 H1' DT B 6 1.829 -7.020 -4.092 1.00 0.00 B H ATOM 928 H3 DT B 6 5.496 -5.428 -5.983 1.00 0.00 B H ATOM 929 H71 DT B 6 1.246 -2.845 -8.087 1.00 0.00 B H ATOM 930 H72 DT B 6 2.729 -1.911 -7.695 1.00 0.00 B H ATOM 931 H73 DT B 6 2.727 -3.051 -9.082 1.00 0.00 B H ATOM 932 H6 DT B 6 0.847 -4.580 -6.652 1.00 0.00 B H ATOM 933 P DG B 7 -1.692 -7.465 -1.847 1.00 0.00 B P ATOM 934 OP2 DG B 7 -2.208 -6.075 -1.866 1.00 0.00 B O ATOM 935 OP1 DG B 7 -2.632 -8.608 -1.851 1.00 0.00 B O ATOM 936 O5' DG B 7 -0.738 -7.607 -0.568 1.00 0.00 B O ATOM 937 C5' DG B 7 0.124 -8.724 -0.445 1.00 0.00 B C ATOM 938 C4' DG B 7 1.318 -8.384 0.416 1.00 0.00 B C ATOM 939 O4' DG B 7 2.291 -7.660 -0.378 1.00 0.00 B O ATOM 940 C3' DG B 7 1.011 -7.500 1.625 1.00 0.00 B C ATOM 941 O3' DG B 7 1.789 -7.965 2.727 1.00 0.00 B O ATOM 942 C2' DG B 7 1.440 -6.107 1.165 1.00 0.00 B C ATOM 943 C1' DG B 7 2.599 -6.419 0.228 1.00 0.00 B C ATOM 944 N9 DG B 7 2.779 -5.438 -0.837 1.00 0.00 B N ATOM 945 C4 DG B 7 3.976 -4.978 -1.330 1.00 0.00 B C ATOM 946 N3 DG B 7 5.204 -5.359 -0.916 1.00 0.00 B N ATOM 947 C2 DG B 7 6.164 -4.738 -1.580 1.00 0.00 B C ATOM 948 N1 DG B 7 5.938 -3.815 -2.573 1.00 0.00 B N ATOM 949 C6 DG B 7 4.682 -3.409 -3.015 1.00 0.00 B C ATOM 950 C5 DG B 7 3.642 -4.068 -2.310 1.00 0.00 B C ATOM 951 N7 DG B 7 2.265 -3.959 -2.431 1.00 0.00 B N ATOM 952 C8 DG B 7 1.795 -4.788 -1.541 1.00 0.00 B C ATOM 953 N2 DG B 7 7.448 -4.998 -1.295 1.00 0.00 B N ATOM 954 O6 DG B 7 4.589 -2.569 -3.918 1.00 0.00 B O ATOM 955 WO6 DG B 7 2.637 -1.519 -5.239 1.00 0.00 B O ATOM 956 WN7 DG B 7 0.681 -2.078 -3.472 1.00 0.00 B O ATOM 957 H5'' DG B 7 -0.421 -9.571 -0.004 1.00 0.00 B H ATOM 958 H5' DG B 7 0.466 -9.045 -1.440 1.00 0.00 B H ATOM 959 H4' DG B 7 1.675 -9.357 0.786 1.00 0.00 B H ATOM 960 H3' DG B 7 -0.045 -7.524 1.931 1.00 0.00 B H ATOM 961 H2'' DG B 7 1.746 -5.456 1.997 1.00 0.00 B H ATOM 962 H2' DG B 7 0.615 -5.596 0.645 1.00 0.00 B H ATOM 963 H1' DG B 7 3.529 -6.419 0.815 1.00 0.00 B H ATOM 964 H1 DG B 7 6.737 -3.404 -3.012 1.00 0.00 B H ATOM 965 H8 DG B 7 0.720 -4.951 -1.371 1.00 0.00 B H ATOM 966 H22 DG B 7 7.677 -5.661 -0.582 1.00 0.00 B H ATOM 967 H21 DG B 7 8.176 -4.530 -1.795 1.00 0.00 B H ATOM 968 P DA B 8 1.783 -7.456 4.250 1.00 0.00 B P ATOM 969 OP2 DA B 8 0.552 -6.640 4.397 1.00 0.00 B O ATOM 970 OP1 DA B 8 2.068 -8.526 5.225 1.00 0.00 B O ATOM 971 O5' DA B 8 3.037 -6.468 4.206 1.00 0.00 B O ATOM 972 C5' DA B 8 4.327 -6.989 3.988 1.00 0.00 B C ATOM 973 C4' DA B 8 5.334 -5.867 3.801 1.00 0.00 B C ATOM 974 O4' DA B 8 5.065 -5.163 2.578 1.00 0.00 B O ATOM 975 C3' DA B 8 5.353 -4.821 4.912 1.00 0.00 B C ATOM 976 O3' DA B 8 6.657 -4.770 5.466 1.00 0.00 B O ATOM 977 C2' DA B 8 5.007 -3.507 4.191 1.00 0.00 B C ATOM 978 C1' DA B 8 5.413 -3.814 2.762 1.00 0.00 B C ATOM 979 N9 DA B 8 4.713 -3.024 1.750 1.00 0.00 B N ATOM 980 C4 DA B 8 5.298 -2.269 0.762 1.00 0.00 B C ATOM 981 N3 DA B 8 6.611 -2.108 0.528 1.00 0.00 B N ATOM 982 C2 DA B 8 6.806 -1.305 -0.516 1.00 0.00 B C ATOM 983 N1 DA B 8 5.905 -0.692 -1.294 1.00 0.00 B N ATOM 984 C6 DA B 8 4.593 -0.876 -1.031 1.00 0.00 B C ATOM 985 C5 DA B 8 4.253 -1.706 0.050 1.00 0.00 B C ATOM 986 N7 DA B 8 3.032 -2.100 0.579 1.00 0.00 B N ATOM 987 C8 DA B 8 3.359 -2.878 1.581 1.00 0.00 B C ATOM 988 N6 DA B 8 3.694 -0.264 -1.806 1.00 0.00 B N ATOM 989 H5'' DA B 8 4.626 -7.617 4.840 1.00 0.00 B H ATOM 990 H5' DA B 8 4.325 -7.635 3.098 1.00 0.00 B H ATOM 991 H4' DA B 8 6.316 -6.364 3.813 1.00 0.00 B H ATOM 992 H3' DA B 8 4.658 -5.046 5.735 1.00 0.00 B H ATOM 993 H2'' DA B 8 5.612 -2.697 4.625 1.00 0.00 B H ATOM 994 H2' DA B 8 3.954 -3.194 4.261 1.00 0.00 B H ATOM 995 H1' DA B 8 6.484 -3.598 2.639 1.00 0.00 B H ATOM 996 H2 DA B 8 7.857 -1.118 -0.777 1.00 0.00 B H ATOM 997 H8 DA B 8 2.617 -3.368 2.228 1.00 0.00 B H ATOM 998 H61 DA B 8 3.998 0.315 -2.563 1.00 0.00 B H ATOM 999 H62 DA B 8 2.717 -0.385 -1.631 1.00 0.00 B H ATOM 1000 P DG B 9 7.032 -3.877 6.746 1.00 0.00 B P ATOM 1001 OP2 DG B 9 5.822 -3.171 7.219 1.00 0.00 B O ATOM 1002 OP1 DG B 9 7.803 -4.732 7.664 1.00 0.00 B O ATOM 1003 O5' DG B 9 8.025 -2.785 6.122 1.00 0.00 B O ATOM 1004 C5' DG B 9 9.178 -3.206 5.423 1.00 0.00 B C ATOM 1005 C4' DG B 9 9.964 -2.019 4.912 1.00 0.00 B C ATOM 1006 O4' DG B 9 9.288 -1.448 3.765 1.00 0.00 B O ATOM 1007 C3' DG B 9 10.133 -0.889 5.927 1.00 0.00 B C ATOM 1008 O3' DG B 9 11.477 -0.416 5.876 1.00 0.00 B O ATOM 1009 C2' DG B 9 9.142 0.167 5.456 1.00 0.00 B C ATOM 1010 C1' DG B 9 9.098 -0.063 3.949 1.00 0.00 B C ATOM 1011 N9 DG B 9 7.827 0.296 3.329 1.00 0.00 B N ATOM 1012 C4 DG B 9 7.651 1.123 2.246 1.00 0.00 B C ATOM 1013 N3 DG B 9 8.629 1.749 1.558 1.00 0.00 B N ATOM 1014 C2 DG B 9 8.146 2.480 0.567 1.00 0.00 B C ATOM 1015 N1 DG B 9 6.808 2.587 0.273 1.00 0.00 B N ATOM 1016 C6 DG B 9 5.784 1.950 0.968 1.00 0.00 B C ATOM 1017 C5 DG B 9 6.289 1.163 2.035 1.00 0.00 B C ATOM 1018 N7 DG B 9 5.623 0.376 2.964 1.00 0.00 B N ATOM 1019 C8 DG B 9 6.573 -0.118 3.709 1.00 0.00 B C ATOM 1020 N2 DG B 9 8.983 3.171 -0.220 1.00 0.00 B N ATOM 1021 O6 DG B 9 4.609 2.115 0.620 1.00 0.00 B O ATOM 1022 WO6 DG B 9 2.333 1.159 1.372 1.00 0.00 B O ATOM 1023 WN7 DG B 9 3.095 0.332 3.821 1.00 0.00 B O ATOM 1024 H5'' DG B 9 9.816 -3.812 6.083 1.00 0.00 B H ATOM 1025 H5' DG B 9 8.890 -3.847 4.577 1.00 0.00 B H ATOM 1026 H4' DG B 9 10.961 -2.426 4.686 1.00 0.00 B H ATOM 1027 H3' DG B 9 9.937 -1.198 6.964 1.00 0.00 B H ATOM 1028 H2'' DG B 9 9.462 1.189 5.707 1.00 0.00 B H ATOM 1029 H2' DG B 9 8.158 0.014 5.925 1.00 0.00 B H ATOM 1030 H1' DG B 9 9.866 0.568 3.477 1.00 0.00 B H ATOM 1031 H1 DG B 9 6.550 3.167 -0.500 1.00 0.00 B H ATOM 1032 H8 DG B 9 6.389 -0.797 4.555 1.00 0.00 B H ATOM 1033 H22 DG B 9 9.969 3.133 -0.056 1.00 0.00 B H ATOM 1034 H21 DG B 9 8.621 3.725 -0.970 1.00 0.00 B H TER ATOM 1036 P DA C 5 -3.968 5.460 12.982 1.00 0.00 C P ATOM 1037 OP2 DA C 5 -2.912 4.423 12.914 1.00 0.00 C O ATOM 1038 OP1 DA C 5 -5.374 5.086 13.246 1.00 0.00 C O ATOM 1039 O5' DA C 5 -3.921 6.286 11.617 1.00 0.00 C O ATOM 1040 C5' DA C 5 -4.716 7.447 11.460 1.00 0.00 C C ATOM 1041 C4' DA C 5 -4.403 8.128 10.150 1.00 0.00 C C ATOM 1042 O4' DA C 5 -3.148 8.844 10.255 1.00 0.00 C O ATOM 1043 C3' DA C 5 -4.274 7.174 8.954 1.00 0.00 C C ATOM 1044 O3' DA C 5 -5.074 7.653 7.885 1.00 0.00 C O ATOM 1045 C2' DA C 5 -2.787 7.236 8.609 1.00 0.00 C C ATOM 1046 C1' DA C 5 -2.406 8.630 9.080 1.00 0.00 C C ATOM 1047 N9 DA C 5 -0.991 8.788 9.412 1.00 0.00 C N ATOM 1048 C4 DA C 5 -0.179 9.830 9.032 1.00 0.00 C C ATOM 1049 N3 DA C 5 -0.516 10.898 8.291 1.00 0.00 C N ATOM 1050 C2 DA C 5 0.531 11.702 8.124 1.00 0.00 C C ATOM 1051 N1 DA C 5 1.782 11.570 8.580 1.00 0.00 C N ATOM 1052 C6 DA C 5 2.088 10.484 9.322 1.00 0.00 C C ATOM 1053 C5 DA C 5 1.065 9.554 9.572 1.00 0.00 C C ATOM 1054 N7 DA C 5 1.038 8.361 10.280 1.00 0.00 C N ATOM 1055 C8 DA C 5 -0.200 7.948 10.155 1.00 0.00 C C ATOM 1056 N6 DA C 5 3.337 10.351 9.776 1.00 0.00 C N ATOM 1057 WN7 DA C 5 3.090 6.942 11.338 1.00 0.00 C O ATOM 1058 H5'' DA C 5 -5.782 7.178 11.494 1.00 0.00 C H ATOM 1059 H5' DA C 5 -4.533 8.142 12.292 1.00 0.00 C H ATOM 1060 H4' DA C 5 -5.267 8.782 9.958 1.00 0.00 C H ATOM 1061 H3' DA C 5 -4.613 6.151 9.174 1.00 0.00 C H ATOM 1062 H2'' DA C 5 -2.673 7.125 7.521 1.00 0.00 C H ATOM 1063 H2' DA C 5 -2.164 6.460 9.078 1.00 0.00 C H ATOM 1064 H1' DA C 5 -2.618 9.344 8.271 1.00 0.00 C H ATOM 1065 H2 DA C 5 0.341 12.606 7.526 1.00 0.00 C H ATOM 1066 H8 DA C 5 -0.569 7.015 10.604 1.00 0.00 C H ATOM 1067 H61 DA C 5 4.022 11.048 9.565 1.00 0.00 C H ATOM 1068 H62 DA C 5 3.587 9.555 10.327 1.00 0.00 C H ATOM 1069 P DC C 6 -5.383 6.738 6.598 1.00 0.00 C P ATOM 1070 OP2 DC C 6 -4.587 5.491 6.670 1.00 0.00 C O ATOM 1071 OP1 DC C 6 -6.847 6.673 6.457 1.00 0.00 C O ATOM 1072 O5' DC C 6 -4.793 7.619 5.406 1.00 0.00 C O ATOM 1073 C5' DC C 6 -5.233 8.958 5.217 1.00 0.00 C C ATOM 1074 C4' DC C 6 -4.173 9.774 4.512 1.00 0.00 C C ATOM 1075 O4' DC C 6 -3.007 9.875 5.341 1.00 0.00 C O ATOM 1076 C3' DC C 6 -3.674 9.167 3.212 1.00 0.00 C C ATOM 1077 O3' DC C 6 -4.446 9.661 2.111 1.00 0.00 C O ATOM 1078 C2' DC C 6 -2.225 9.655 3.125 1.00 0.00 C C ATOM 1079 C1' DC C 6 -1.903 10.169 4.520 1.00 0.00 C C ATOM 1080 N1 DC C 6 -0.685 9.554 5.113 1.00 0.00 C N ATOM 1081 C2 DC C 6 0.529 10.253 5.065 1.00 0.00 C C ATOM 1082 O2 DC C 6 0.560 11.362 4.512 1.00 0.00 C O ATOM 1083 N3 DC C 6 1.629 9.693 5.618 1.00 0.00 C N ATOM 1084 C4 DC C 6 1.561 8.495 6.200 1.00 0.00 C C ATOM 1085 N4 DC C 6 2.664 7.990 6.729 1.00 0.00 C N ATOM 1086 C5 DC C 6 0.330 7.769 6.249 1.00 0.00 C C ATOM 1087 C6 DC C 6 -0.750 8.328 5.702 1.00 0.00 C C ATOM 1088 H5'' DC C 6 -6.161 8.967 4.626 1.00 0.00 C H ATOM 1089 H5' DC C 6 -5.466 9.417 6.189 1.00 0.00 C H ATOM 1090 H4' DC C 6 -4.650 10.744 4.308 1.00 0.00 C H ATOM 1091 H3' DC C 6 -3.757 8.071 3.186 1.00 0.00 C H ATOM 1092 H2'' DC C 6 -1.679 10.207 2.346 1.00 0.00 C H ATOM 1093 H2' DC C 6 -1.967 8.592 3.007 1.00 0.00 C H ATOM 1094 H1' DC C 6 -1.672 11.240 4.430 1.00 0.00 C H ATOM 1095 H42 DC C 6 2.641 7.093 7.171 1.00 0.00 C H ATOM 1096 H41 DC C 6 3.520 8.505 6.686 1.00 0.00 C H ATOM 1097 H5 DC C 6 0.270 6.778 6.723 1.00 0.00 C H ATOM 1098 H6 DC C 6 -1.710 7.791 5.728 1.00 0.00 C H ATOM 1099 P DG C 7 -4.322 8.983 0.661 1.00 0.00 C P ATOM 1100 OP2 DG C 7 -3.945 7.562 0.841 1.00 0.00 C O ATOM 1101 OP1 DG C 7 -5.539 9.331 -0.094 1.00 0.00 C O ATOM 1102 O5' DG C 7 -3.081 9.717 -0.024 1.00 0.00 C O ATOM 1103 C5' DG C 7 -3.075 11.130 -0.190 1.00 0.00 C C ATOM 1104 C4' DG C 7 -1.813 11.598 -0.879 1.00 0.00 C C ATOM 1105 O4' DG C 7 -0.679 11.334 -0.027 1.00 0.00 C O ATOM 1106 C3' DG C 7 -1.522 10.910 -2.201 1.00 0.00 C C ATOM 1107 O3' DG C 7 -0.966 11.856 -3.107 1.00 0.00 C O ATOM 1108 C2' DG C 7 -0.524 9.825 -1.821 1.00 0.00 C C ATOM 1109 C1' DG C 7 0.227 10.449 -0.656 1.00 0.00 C C ATOM 1110 N9 DG C 7 0.670 9.484 0.345 1.00 0.00 C N ATOM 1111 C4 DG C 7 1.889 9.466 0.978 1.00 0.00 C C ATOM 1112 N3 DG C 7 2.896 10.345 0.788 1.00 0.00 C N ATOM 1113 C2 DG C 7 3.946 10.064 1.541 1.00 0.00 C C ATOM 1114 N1 DG C 7 4.004 9.004 2.413 1.00 0.00 C N ATOM 1115 C6 DG C 7 2.979 8.087 2.625 1.00 0.00 C C ATOM 1116 C5 DG C 7 1.846 8.377 1.823 1.00 0.00 C C ATOM 1117 N7 DG C 7 0.625 7.726 1.723 1.00 0.00 C N ATOM 1118 C8 DG C 7 -0.039 8.417 0.838 1.00 0.00 C C ATOM 1119 N2 DG C 7 5.039 10.838 1.477 1.00 0.00 C N ATOM 1120 O6 DG C 7 3.134 7.166 3.436 1.00 0.00 C O ATOM 1121 WO6 DG C 7 1.640 5.276 4.358 1.00 0.00 C O ATOM 1122 H5'' DG C 7 -3.949 11.441 -0.781 1.00 0.00 C H ATOM 1123 H5' DG C 7 -3.158 11.623 0.790 1.00 0.00 C H ATOM 1124 H4' DG C 7 -1.987 12.666 -1.075 1.00 0.00 C H ATOM 1125 H3' DG C 7 -2.416 10.488 -2.683 1.00 0.00 C H ATOM 1126 H2'' DG C 7 0.156 9.502 -2.623 1.00 0.00 C H ATOM 1127 H2' DG C 7 -1.101 8.940 -1.513 1.00 0.00 C H ATOM 1128 H1' DG C 7 1.134 10.931 -1.049 1.00 0.00 C H ATOM 1129 H1 DG C 7 4.848 8.882 2.937 1.00 0.00 C H ATOM 1130 H8 DG C 7 -1.063 8.169 0.519 1.00 0.00 C H ATOM 1131 H22 DG C 7 5.058 11.626 0.860 1.00 0.00 C H ATOM 1132 H21 DG C 7 5.835 10.629 2.045 1.00 0.00 C H ATOM 1133 P DA C 8 -0.699 11.486 -4.652 1.00 0.00 C P ATOM 1134 OP2 DA C 8 -1.501 10.294 -5.000 1.00 0.00 C O ATOM 1135 OP1 DA C 8 -0.831 12.725 -5.449 1.00 0.00 C O ATOM 1136 O5' DA C 8 0.833 11.048 -4.650 1.00 0.00 C O ATOM 1137 C5' DA C 8 1.826 11.972 -4.233 1.00 0.00 C C ATOM 1138 C4' DA C 8 3.179 11.298 -4.182 1.00 0.00 C C ATOM 1139 O4' DA C 8 3.260 10.462 -3.017 1.00 0.00 C O ATOM 1140 C3' DA C 8 3.490 10.414 -5.388 1.00 0.00 C C ATOM 1141 O3' DA C 8 4.677 10.877 -6.014 1.00 0.00 C O ATOM 1142 C2' DA C 8 3.676 9.008 -4.787 1.00 0.00 C C ATOM 1143 C1' DA C 8 3.995 9.302 -3.328 1.00 0.00 C C ATOM 1144 N9 DA C 8 3.587 8.251 -2.397 1.00 0.00 C N ATOM 1145 C4 DA C 8 4.347 7.730 -1.378 1.00 0.00 C C ATOM 1146 N3 DA C 8 5.599 8.076 -1.034 1.00 0.00 C N ATOM 1147 C2 DA C 8 6.015 7.357 0.006 1.00 0.00 C C ATOM 1148 N1 DA C 8 5.371 6.404 0.690 1.00 0.00 C N ATOM 1149 C6 DA C 8 4.113 6.079 0.318 1.00 0.00 C C ATOM 1150 C5 DA C 8 3.556 6.770 -0.771 1.00 0.00 C C ATOM 1151 N7 DA C 8 2.319 6.688 -1.396 1.00 0.00 C N ATOM 1152 C8 DA C 8 2.389 7.584 -2.350 1.00 0.00 C C ATOM 1153 N6 DA C 8 3.471 5.128 1.000 1.00 0.00 C N ATOM 1154 WN7 DA C 8 0.342 4.864 -1.065 1.00 0.00 C O ATOM 1155 H5'' DA C 8 1.859 12.825 -4.927 1.00 0.00 C H ATOM 1156 H5' DA C 8 1.571 12.374 -3.242 1.00 0.00 C H ATOM 1157 H4' DA C 8 3.906 12.124 -4.183 1.00 0.00 C H ATOM 1158 H3' DA C 8 2.699 10.426 -6.153 1.00 0.00 C H ATOM 1159 H2'' DA C 8 4.491 8.461 -5.283 1.00 0.00 C H ATOM 1160 H2' DA C 8 2.767 8.397 -4.894 1.00 0.00 C H ATOM 1161 H1' DA C 8 5.084 9.409 -3.219 1.00 0.00 C H ATOM 1162 H2 DA C 8 7.035 7.577 0.353 1.00 0.00 C H ATOM 1163 H8 DA C 8 1.563 7.782 -3.048 1.00 0.00 C H ATOM 1164 H61 DA C 8 3.921 4.672 1.768 1.00 0.00 C H ATOM 1165 H62 DA C 8 2.539 4.871 0.743 1.00 0.00 C H ATOM 1166 P DC C 9 5.177 10.248 -7.412 1.00 0.00 C P ATOM 1167 OP2 DC C 9 4.070 9.487 -8.035 1.00 0.00 C O ATOM 1168 OP1 DC C 9 5.856 11.326 -8.162 1.00 0.00 C O ATOM 1169 O5' DC C 9 6.273 9.194 -6.929 1.00 0.00 C O ATOM 1170 C5' DC C 9 7.341 9.625 -6.100 1.00 0.00 C C ATOM 1171 C4' DC C 9 8.045 8.446 -5.477 1.00 0.00 C C ATOM 1172 O4' DC C 9 7.193 7.821 -4.508 1.00 0.00 C O ATOM 1173 C3' DC C 9 8.445 7.346 -6.465 1.00 0.00 C C ATOM 1174 O3' DC C 9 9.848 7.361 -6.661 1.00 0.00 C O ATOM 1175 C2' DC C 9 7.969 6.046 -5.792 1.00 0.00 C C ATOM 1176 C1' DC C 9 7.633 6.486 -4.374 1.00 0.00 C C ATOM 1177 N1 DC C 9 6.559 5.686 -3.737 1.00 0.00 C N ATOM 1178 C2 DC C 9 6.853 4.911 -2.606 1.00 0.00 C C ATOM 1179 O2 DC C 9 8.014 4.919 -2.165 1.00 0.00 C O ATOM 1180 N3 DC C 9 5.881 4.176 -2.042 1.00 0.00 C N ATOM 1181 C4 DC C 9 4.641 4.178 -2.543 1.00 0.00 C C ATOM 1182 N4 DC C 9 3.711 3.431 -1.938 1.00 0.00 C N ATOM 1183 C5 DC C 9 4.320 4.966 -3.691 1.00 0.00 C C ATOM 1184 C6 DC C 9 5.283 5.689 -4.247 1.00 0.00 C C ATOM 1185 H5'' DC C 9 8.059 10.214 -6.690 1.00 0.00 C H ATOM 1186 H5' DC C 9 6.958 10.285 -5.308 1.00 0.00 C H ATOM 1187 H4' DC C 9 8.966 8.862 -5.043 1.00 0.00 C H ATOM 1188 H3' DC C 9 7.987 7.468 -7.457 1.00 0.00 C H ATOM 1189 H2'' DC C 9 8.720 5.243 -5.808 1.00 0.00 C H ATOM 1190 H2' DC C 9 7.085 5.669 -6.327 1.00 0.00 C H ATOM 1191 H1' DC C 9 8.524 6.359 -3.742 1.00 0.00 C H ATOM 1192 H42 DC C 9 2.776 3.414 -2.292 1.00 0.00 C H ATOM 1193 H41 DC C 9 3.951 2.891 -1.132 1.00 0.00 C H ATOM 1194 H5 DC C 9 3.302 4.979 -4.109 1.00 0.00 C H ATOM 1195 H6 DC C 9 5.056 6.303 -5.131 1.00 0.00 C H ATOM 1196 P DT C 10 10.560 6.291 -7.631 1.00 97.00 C P ATOM 1197 OP2 DT C 10 9.556 5.732 -8.570 1.00 96.29 C O ATOM 1198 OP1 DT C 10 11.800 6.918 -8.157 1.00 95.72 C O ATOM 1199 O5' DT C 10 10.978 5.120 -6.620 1.00 96.57 C O ATOM 1200 C5' DT C 10 11.679 5.439 -5.436 1.00 96.64 C C ATOM 1201 C4' DT C 10 11.880 4.206 -4.585 1.00 97.41 C C ATOM 1202 O4' DT C 10 10.617 3.800 -4.013 1.00 97.40 C O ATOM 1203 C3' DT C 10 12.430 2.997 -5.352 1.00 97.41 C C ATOM 1204 O3' DT C 10 13.588 2.510 -4.697 1.00 97.02 C O ATOM 1205 C2' DT C 10 11.281 1.984 -5.310 1.00 97.21 C C ATOM 1206 C1' DT C 10 10.508 2.393 -4.076 1.00 97.45 C C ATOM 1207 N1 DT C 10 9.060 2.046 -4.106 1.00 97.87 C N ATOM 1208 C2 DT C 10 8.535 1.244 -3.111 1.00 97.90 C C ATOM 1209 O2 DT C 10 9.213 0.791 -2.196 1.00 97.83 C O ATOM 1210 N3 DT C 10 7.200 0.994 -3.220 1.00 98.01 C N ATOM 1211 C4 DT C 10 6.338 1.448 -4.202 1.00 98.06 C C ATOM 1212 O4 DT C 10 5.150 1.156 -4.198 1.00 97.92 C O ATOM 1213 C5 DT C 10 6.937 2.276 -5.217 1.00 98.01 C C ATOM 1214 C7 DT C 10 6.099 2.820 -6.328 1.00 97.77 C C ATOM 1215 C6 DT C 10 8.255 2.535 -5.116 1.00 97.95 C C ATOM 1216 H5'' DT C 10 12.656 5.879 -5.686 1.00 0.00 C H ATOM 1217 H5' DT C 10 11.123 6.196 -4.864 1.00 0.00 C H ATOM 1218 H4' DT C 10 12.630 4.506 -3.838 1.00 0.00 C H ATOM 1219 H3' DT C 10 12.720 3.229 -6.387 1.00 0.00 C H ATOM 1220 H2'' DT C 10 11.651 0.950 -5.243 1.00 0.00 C H ATOM 1221 H2' DT C 10 10.669 2.048 -6.222 1.00 0.00 C H ATOM 1222 H1' DT C 10 10.930 1.860 -3.211 1.00 0.00 C H ATOM 1223 H3 DT C 10 6.797 0.417 -2.510 1.00 0.00 C H ATOM 1224 H71 DT C 10 6.727 3.424 -7.000 1.00 0.00 C H ATOM 1225 H72 DT C 10 5.653 1.988 -6.893 1.00 0.00 C H ATOM 1226 H73 DT C 10 5.299 3.449 -5.910 1.00 0.00 C H ATOM 1227 H6 DT C 10 8.720 3.168 -5.887 1.00 0.00 C H ATOM 1228 P DC C 11 14.467 1.337 -5.339 1.00 0.00 C P ATOM 1229 OP2 DC C 11 13.980 1.039 -6.707 1.00 0.00 C O ATOM 1230 OP1 DC C 11 15.888 1.686 -5.120 1.00 0.00 C O ATOM 1231 O5' DC C 11 14.101 0.091 -4.410 1.00 0.00 C O ATOM 1232 C5' DC C 11 14.223 0.207 -3.001 1.00 0.00 C C ATOM 1233 C4' DC C 11 13.715 -1.034 -2.318 1.00 0.00 C C ATOM 1234 O4' DC C 11 12.276 -1.083 -2.382 1.00 0.00 C O ATOM 1235 C3' DC C 11 14.222 -2.342 -2.929 1.00 0.00 C C ATOM 1236 O3' DC C 11 14.642 -3.208 -1.884 1.00 0.00 C O ATOM 1237 C2' DC C 11 12.997 -2.900 -3.663 1.00 0.00 C C ATOM 1238 C1' DC C 11 11.855 -2.351 -2.822 1.00 0.00 C C ATOM 1239 N1 DC C 11 10.589 -2.173 -3.551 1.00 0.00 C N ATOM 1240 C2 DC C 11 9.399 -2.604 -2.955 1.00 0.00 C C ATOM 1241 O2 DC C 11 9.444 -3.121 -1.828 1.00 0.00 C O ATOM 1242 N3 DC C 11 8.232 -2.446 -3.620 1.00 0.00 C N ATOM 1243 C4 DC C 11 8.226 -1.886 -4.832 1.00 0.00 C C ATOM 1244 N4 DC C 11 7.052 -1.754 -5.454 1.00 0.00 C N ATOM 1245 C5 DC C 11 9.423 -1.440 -5.462 1.00 0.00 C C ATOM 1246 C6 DC C 11 10.571 -1.601 -4.793 1.00 0.00 C C ATOM 1247 WN4 DC C 11 7.148 -0.583 -8.181 1.00 0.00 C O ATOM 1248 H5'' DC C 11 15.276 0.374 -2.730 1.00 0.00 C H ATOM 1249 H5' DC C 11 13.658 1.081 -2.647 1.00 0.00 C H ATOM 1250 H4' DC C 11 14.102 -0.972 -1.290 1.00 0.00 C H ATOM 1251 H3' DC C 11 15.082 -2.202 -3.600 1.00 0.00 C H ATOM 1252 H2'' DC C 11 13.004 -4.000 -3.681 1.00 0.00 C H ATOM 1253 H2' DC C 11 12.939 -2.562 -4.708 1.00 0.00 C H ATOM 1254 H1' DC C 11 11.646 -3.068 -2.015 1.00 0.00 C H ATOM 1255 H42 DC C 11 7.012 -1.339 -6.363 1.00 0.00 C H ATOM 1256 H41 DC C 11 6.213 -2.069 -5.011 1.00 0.00 C H ATOM 1257 H5 DC C 11 9.405 -0.980 -6.462 1.00 0.00 C H ATOM 1258 H6 DC C 11 11.514 -1.267 -5.250 1.00 0.00 C H ATOM 1259 P DA C 12 15.672 -4.436 -2.183 1.00 0.00 C P ATOM 1260 OP2 DA C 12 16.217 -4.304 -3.556 1.00 0.00 C O ATOM 1261 OP1 DA C 12 16.584 -4.579 -1.027 1.00 0.00 C O ATOM 1262 O5' DA C 12 14.662 -5.673 -2.172 1.00 0.00 C O ATOM 1263 C5' DA C 12 13.900 -5.955 -1.015 1.00 0.00 C C ATOM 1264 C4' DA C 12 12.888 -7.044 -1.296 1.00 0.00 C C ATOM 1265 O4' DA C 12 11.801 -6.509 -2.081 1.00 0.00 C O ATOM 1266 C3' DA C 12 13.439 -8.237 -2.076 1.00 0.00 C C ATOM 1267 O3' DA C 12 12.977 -9.425 -1.462 1.00 0.00 C O ATOM 1268 C2' DA C 12 12.853 -8.059 -3.476 1.00 0.00 C C ATOM 1269 C1' DA C 12 11.534 -7.365 -3.168 1.00 0.00 C C ATOM 1270 N9 DA C 12 10.989 -6.552 -4.251 1.00 0.00 C N ATOM 1271 C4 DA C 12 9.659 -6.356 -4.541 1.00 0.00 C C ATOM 1272 N3 DA C 12 8.605 -6.897 -3.896 1.00 0.00 C N ATOM 1273 C2 DA C 12 7.461 -6.491 -4.444 1.00 0.00 C C ATOM 1274 N1 DA C 12 7.266 -5.669 -5.480 1.00 0.00 C N ATOM 1275 C6 DA C 12 8.353 -5.149 -6.105 1.00 0.00 C C ATOM 1276 C5 DA C 12 9.623 -5.502 -5.619 1.00 0.00 C C ATOM 1277 N7 DA C 12 10.903 -5.165 -6.009 1.00 0.00 C N ATOM 1278 C8 DA C 12 11.675 -5.805 -5.168 1.00 0.00 C C ATOM 1279 N6 DA C 12 8.153 -4.330 -7.140 1.00 0.00 C N ATOM 1280 H5'' DA C 12 14.564 -6.269 -0.196 1.00 0.00 C H ATOM 1281 H5' DA C 12 13.381 -5.046 -0.677 1.00 0.00 C H ATOM 1282 H4' DA C 12 12.578 -7.405 -0.304 1.00 0.00 C H ATOM 1283 H3' DA C 12 14.538 -8.280 -2.088 1.00 0.00 C H ATOM 1284 H2'' DA C 12 12.700 -9.043 -3.942 1.00 0.00 C H ATOM 1285 H2' DA C 12 13.476 -7.470 -4.166 1.00 0.00 C H ATOM 1286 H1' DA C 12 10.774 -8.134 -2.967 1.00 0.00 C H ATOM 1287 H2 DA C 12 6.548 -6.888 -3.977 1.00 0.00 C H ATOM 1288 H8 DA C 12 12.773 -5.752 -5.202 1.00 0.00 C H ATOM 1289 H61 DA C 12 7.221 -4.114 -7.434 1.00 0.00 C H ATOM 1290 H62 DA C 12 8.933 -3.932 -7.621 1.00 0.00 C H ATOM 1291 P DC C 13 13.645 -10.846 -1.789 1.00 0.00 C P ATOM 1292 OP2 DC C 13 14.765 -10.665 -2.734 1.00 0.00 C O ATOM 1293 OP1 DC C 13 13.859 -11.523 -0.497 1.00 0.00 C O ATOM 1294 O5' DC C 13 12.461 -11.587 -2.560 1.00 0.00 C O ATOM 1295 C5' DC C 13 11.203 -11.721 -1.936 1.00 0.00 C C ATOM 1296 C4' DC C 13 10.093 -11.853 -2.952 1.00 0.00 C C ATOM 1297 O4' DC C 13 9.991 -10.657 -3.745 1.00 0.00 C O ATOM 1298 C3' DC C 13 10.270 -12.983 -3.959 1.00 0.00 C C ATOM 1299 O3' DC C 13 9.536 -14.119 -3.517 1.00 0.00 C O ATOM 1300 C2' DC C 13 9.709 -12.397 -5.270 1.00 0.00 C C ATOM 1301 C1' DC C 13 9.207 -11.010 -4.857 1.00 0.00 C C ATOM 1302 N1 DC C 13 9.350 -9.964 -5.911 1.00 0.00 C N ATOM 1303 C2 DC C 13 8.199 -9.431 -6.479 1.00 0.00 C C ATOM 1304 O2 DC C 13 7.094 -9.826 -6.105 1.00 0.00 C O ATOM 1305 N3 DC C 13 8.322 -8.478 -7.436 1.00 0.00 C N ATOM 1306 C4 DC C 13 9.532 -8.069 -7.825 1.00 0.00 C C ATOM 1307 N4 DC C 13 9.606 -7.134 -8.764 1.00 0.00 C N ATOM 1308 C5 DC C 13 10.722 -8.612 -7.245 1.00 0.00 C C ATOM 1309 C6 DC C 13 10.588 -9.547 -6.302 1.00 0.00 C C ATOM 1310 H5'' DC C 13 11.202 -12.605 -1.281 1.00 0.00 C H ATOM 1311 H5' DC C 13 11.007 -10.848 -1.297 1.00 0.00 C H ATOM 1312 H4' DC C 13 9.188 -12.057 -2.360 1.00 0.00 C H ATOM 1313 H3' DC C 13 11.317 -13.299 -4.075 1.00 0.00 C H ATOM 1314 H2'' DC C 13 8.936 -12.976 -5.796 1.00 0.00 C H ATOM 1315 H2' DC C 13 10.578 -12.338 -5.942 1.00 0.00 C H ATOM 1316 H1' DC C 13 8.128 -11.071 -4.655 1.00 0.00 C H ATOM 1317 H42 DC C 13 10.499 -6.808 -9.076 1.00 0.00 C H ATOM 1318 H41 DC C 13 8.770 -6.756 -9.161 1.00 0.00 C H ATOM 1319 H5 DC C 13 11.719 -8.273 -7.563 1.00 0.00 C H ATOM 1320 H6 DC C 13 11.486 -9.981 -5.839 1.00 0.00 C H ATOM 1321 P DT C 14 9.518 -15.471 -4.349 1.00 0.00 C P ATOM 1322 OP2 DT C 14 10.640 -15.470 -5.315 1.00 0.00 C O ATOM 1323 OP1 DT C 14 9.370 -16.580 -3.379 1.00 0.00 C O ATOM 1324 O5' DT C 14 8.159 -15.360 -5.184 1.00 0.00 C O ATOM 1325 C5' DT C 14 6.944 -15.020 -4.524 1.00 0.00 C C ATOM 1326 C4' DT C 14 5.820 -14.872 -5.521 1.00 0.00 C C ATOM 1327 O4' DT C 14 6.012 -13.671 -6.309 1.00 0.00 C O ATOM 1328 C3' DT C 14 5.699 -16.025 -6.522 1.00 0.00 C C ATOM 1329 O3' DT C 14 4.335 -16.366 -6.687 1.00 0.00 C O ATOM 1330 C2' DT C 14 6.294 -15.439 -7.808 1.00 0.00 C C ATOM 1331 C1' DT C 14 5.899 -13.974 -7.686 1.00 0.00 C C ATOM 1332 N1 DT C 14 6.762 -13.038 -8.431 1.00 0.00 C N ATOM 1333 C2 DT C 14 6.161 -12.005 -9.115 1.00 0.00 C C ATOM 1334 O2 DT C 14 4.953 -11.827 -9.130 1.00 0.00 C O ATOM 1335 N3 DT C 14 7.030 -11.181 -9.785 1.00 0.00 C N ATOM 1336 C4 DT C 14 8.407 -11.284 -9.837 1.00 0.00 C C ATOM 1337 O4 DT C 14 9.057 -10.467 -10.484 1.00 0.00 C O ATOM 1338 C5 DT C 14 8.970 -12.391 -9.098 1.00 0.00 C C ATOM 1339 C7 DT C 14 10.454 -12.584 -9.097 1.00 0.00 C C ATOM 1340 C6 DT C 14 8.130 -13.201 -8.440 1.00 0.00 C C ATOM 1341 WO4 DT C 14 11.557 -9.829 -11.343 1.00 0.00 C O ATOM 1342 H5'' DT C 14 6.687 -15.797 -3.789 1.00 0.00 C H ATOM 1343 H5' DT C 14 7.070 -14.080 -3.967 1.00 0.00 C H ATOM 1344 H4' DT C 14 4.907 -14.856 -4.907 1.00 0.00 C H ATOM 1345 H3' DT C 14 6.222 -16.939 -6.204 1.00 0.00 C H ATOM 1346 H2'' DT C 14 5.844 -15.917 -8.691 1.00 0.00 C H ATOM 1347 H2' DT C 14 7.383 -15.569 -7.893 1.00 0.00 C H ATOM 1348 H1' DT C 14 4.888 -13.851 -8.102 1.00 0.00 C H ATOM 1349 H3 DT C 14 6.621 -10.422 -10.291 1.00 0.00 C H ATOM 1350 H71 DT C 14 10.709 -13.465 -8.490 1.00 0.00 C H ATOM 1351 H72 DT C 14 10.805 -12.735 -10.128 1.00 0.00 C H ATOM 1352 H73 DT C 14 10.939 -11.693 -8.672 1.00 0.00 C H ATOM 1353 H6 DT C 14 8.557 -14.044 -7.876 1.00 0.00 C H TER # All scores below are weighted scores, not raw scores. #BEGIN_POSE_ENERGIES_TABLE label fa_atr fa_rep fa_sol pro_close hbond_sr_bb hbond_lr_bb hbond_bb_sc hbond_sc dslf_ss_dst dslf_cs_ang dslf_ss_dih dslf_ca_dih fa_dun p_aa_pp ref res_type_constraint total weights 0.947733 0.577238 0.507356 1 2.80253 2.80253 2.80253 1.59624 0.5 2 5 5 0.68229 0.612065 1 1 NA pose -752.772 94.9029 376.391 0 -103.722 -4.27585 -19.8608 -41.3308 0 0 0 0 100.269 -4.60859 66.4516 0 -288.556 THR:NtermProteinFull_1 -0.69502 0.01028 0.27875 0 0 0 0 0 0 0 0 0 0.0951 0 -1.18434 0 -1.49523 LYS_2 -2.26413 0.0837 1.30972 0 0 0 -0.26708 0 0 0 0 0 1.11943 -0.01887 -1.53824 0 -1.57546 GLU_3 -4.04613 0.08467 2.93324 0 0 0 0 -0.36247 0 0 0 0 2.31739 0.01918 1.61782 0 2.5637 GLN_4 -2.37899 0.06955 1.29901 0 0 0 -0.26708 0 0 0 0 0 2.60752 0.23397 -0.20752 0 1.35645 ARG_5 -4.21814 0.02582 2.43867 0 0 0 0 0 0 0 0 0 3.03157 -0.00793 9.93689 0 11.2069 THR_6 -3.62203 0.68256 1.83793 0 0 0 0 0 0 0 0 0 0.04768 0.0327 -1.18434 0 -2.2055 SER_7 -1.61646 0.15828 0.59411 0 0 0 0 0 0 0 0 0 0.25936 0.47108 -2.59427 0 -2.72789 TYR_8 -7.38407 0.4503 2.0704 0 0 0 0 -0.39432 0 0 0 0 3.66277 0.00353 0.20952 0 -1.38187 THR_9 -4.16526 0.27695 2.60375 0 0 0 -2.9782 0 0 0 0 0 0.0329 -0.23797 -1.18434 0 -5.65218 ARG_10 -2.62684 0.1014 1.45195 0 0 0 0 0 0 0 0 0 1.91496 -0.1461 9.93689 0 10.6323 TYR_11 -5.11018 0.33893 2.085 0 0 0 0 0 0 0 0 0 1.54981 -0.13095 0.20952 0 -1.05786 GLN_12 -8.66251 0.89549 3.28374 0 0 0 -4.28154 0 0 0 0 0 2.45526 0.15499 -0.20752 0 -6.36209 THR_13 -4.57657 0.1546 2.44531 0 0 0 0 0 0 0 0 0 0.04528 0.03362 -1.18434 0 -3.0821 LEU_14 -4.60631 0.19009 2.28128 0 0 0 0 0 0 0 0 0 0.49338 -0.21292 -1.26583 0 -3.1203 GLU_15 -6.06419 0.37003 2.86664 0 0 0 0 0 0 0 0 0 2.65482 -0.33659 1.61782 0 1.10854 LEU_16 -8.69853 1.12295 1.13303 0 0 0 0 0 0 0 0 0 0.59866 -0.2415 -1.26583 0 -7.35123 GLU_17 -4.69759 0.17214 2.36858 0 0 0 0 0 0 0 0 0 2.9144 -0.27759 1.61782 0 2.09777 LYS_18 -4.81227 0.39455 2.56918 0 0 0 0 0 0 0 0 0 4.23653 0.04588 -1.53824 0 0.89563 GLU_19 -6.67177 0.86847 3.39159 0 0 0 0 -1.19614 0 0 0 0 3.20497 -0.23787 1.61782 0 0.97706 PHE_20 -9.49299 0.90886 1.98457 0 0 0 0 0 0 0 0 0 2.00286 0.27321 0.10405 0 -4.21944 HIS_21 -3.2105 0.24187 1.37014 0 0 0 0 0 0 0 0 0 2.08564 0.17596 0.83812 0 1.50124 PHE_22 -4.09116 0.27556 1.42842 0 0 0 0 0 0 0 0 0 2.18973 -0.09812 0.10405 0 -0.19152 ASN_23 -4.07625 0.32189 2.0857 0 0 0 0 0 0 0 0 0 2.35699 -0.23798 1.06144 0 1.51178 ARG_24 -7.71641 0.60753 2.50604 0 0 0 -0.75307 0 0 0 0 0 2.99634 -0.08169 9.93689 0 7.49563 TYR_25 -5.4733 0.55221 2.08803 0 0 0 0 -0.18753 0 0 0 0 1.35158 -0.1425 0.20952 0 -1.60198 LEU_26 -5.46559 0.73761 0.11524 0 0 0 0 0 0 0 0 0 0.15612 -0.31006 -1.26583 0 -6.03251 THR_27 -3.18851 0.13644 1.9886 0 0 0 -0.93363 0 0 0 0 0 0.0293 -0.11995 -1.18434 0 -3.27209 ARG_28 -3.61157 0.24425 1.60633 0 0 0 0 0 0 0 0 0 2.48543 -0.10699 9.93689 0 10.5543 ARG_29 -4.30375 0.43161 2.69459 0 0 0 0 0 0 0 0 0 1.80726 -0.04937 9.93689 0 10.5172 ARG_30 -7.7715 0.39101 4.05049 0 0 0 -0.93363 -1.60782 0 0 0 0 2.7191 -0.14071 9.93689 0 6.64384 ARG_31 -9.61649 0.55807 4.6351 0 0 0 0 0 0 0 0 0 2.3913 -0.10544 9.93689 0 7.79942 ILE_32 -5.77344 0.31388 2.21061 0 0 0 0 0 0 0 0 0 0.10494 -0.37288 -1.81735 0 -5.33425 GLU_33 -5.85662 0.38512 3.62939 0 0 0 0 -0.41167 0 0 0 0 2.60342 -0.09812 1.61782 0 1.86933 ILE_34 -7.94889 1.1896 1.49513 0 0 0 0 0 0 0 0 0 0.47614 -0.39908 -1.81735 0 -7.00445 ALA_35 -6.0062 0.45103 1.95551 0 0 0 0 0 0 0 0 0 0 -0.16022 -1.58548 0 -5.34535 HIS_36 -2.9913 0.18804 1.76239 0 0 0 0 0 0 0 0 0 2.43462 -0.0366 0.83812 0 2.19527 ALA_37 -2.80392 0.09694 1.12411 0 0 0 0 0 0 0 0 0 0 -0.21667 -1.58548 0 -3.38502 LEU_38 -7.21707 0.88498 0.97605 0 0 0 -1.30333 0 0 0 0 0 0.163 -0.07836 -1.26583 0 -7.84057 SER_39 -2.08009 0.17227 1.27202 0 0 0 0 0 0 0 0 0 0.09956 0.1777 -2.59427 0 -2.95281 LEU_40 -7.01031 0.72184 0.996 0 0 0 0 0 0 0 0 0 0.31411 0.10147 -1.26583 0 -6.14271 THR_41 -4.82344 0.46165 2.5888 0 0 0 -3.69509 0 0 0 0 0 0.13777 -0.15917 -1.18434 0 -6.67382 GLU_42 -4.68443 0.18708 1.96043 0 0 0 0 0 0 0 0 0 3.34973 -0.20018 1.61782 0 2.23044 ARG_43 -5.31502 0.38608 2.8964 0 0 0 0 0 0 0 0 0 1.98436 -0.09203 9.93689 0 9.79667 GLN_44 -7.93305 0.46447 4.15162 0 0 0 -3.69509 -0.2967 0 0 0 0 2.53597 -0.0553 -0.20752 0 -5.03561 ILE_45 -8.49419 1.08358 1.30814 0 0 0 0 0 0 0 0 0 1.5097 -0.43368 -1.81735 0 -6.84379 LYS_46 -7.63444 0.5762 3.83968 0 0 0 0 0 0 0 0 0 2.1014 0.05783 -1.53824 0 -2.59757 ILE_47 -7.4856 0.68574 2.52629 0 0 0 0 0 0 0 0 0 0.17036 -0.32331 -1.81735 0 -6.24387 TRP_48 -10.1174 1.08823 2.02007 0 0 0 0 0 0 0 0 0 1.69767 -0.28426 1.82099 0 -3.7747 PHE_49 -10.3097 1.47803 1.93963 0 0 0 0 0 0 0 0 0 3.46361 0.09125 0.10405 0 -3.23311 GLN_50 -7.49417 0.75153 4.00615 0 0 0 0 0 0 0 0 0 2.35699 0.17637 -0.20752 0 -0.41065 ASN_51 -6.24829 0.35231 3.38633 0 0 0 0 -1.33557 0 0 0 0 1.23103 0.53558 1.06144 0 -1.01717 CYS_52 -6.6716 0.65096 1.82431 0 0 0 0 0 0 0 0 0 1.32803 0.31672 -1.18225 0 -3.73383 ARG_53 -12.1315 1.04133 6.80005 0 0 0 -0.75307 -0.34859 0 0 0 0 2.1539 -0.0813 9.93689 0 6.61772 MET_54 -7.05127 0.44168 2.77351 0 0 0 0 0 0 0 0 0 1.33998 0.0266 -1.40187 0 -3.87137 ILE_55 -5.64015 0.68748 2.44614 0 0 0 0 0 0 0 0 0 0.08179 -0.35279 -1.81735 0 -4.59489 TRP_56 -9.12277 0.55534 3.22105 0 0 0 0 0 0 0 0 0 1.48842 -0.29271 1.82099 0 -2.32967 LYS_57 -6.38764 0.6798 3.38958 0 0 0 0 0 0 0 0 0 2.31122 0.03974 -1.53824 0 -1.50553 LYS_58 -3.56808 0.17581 1.76402 0 0 0 0 0 0 0 0 0 0.95372 -0.03774 -1.53824 0 -2.25052 GLU_59 -3.81509 0.17926 1.90808 0 0 0 0 0 0 0 0 0 2.44736 -0.22553 1.61782 0 2.1119 HIS_D_60 -5.10186 0.26391 2.16436 0 0 0 0 0 0 0 0 0 1.85139 -0.43497 0.83812 0 -0.41906 LYS:CtermProteinFull_61 -1.57494 0.27156 1.09252 0 0 0 0 0 0 0 0 0 3.7651 0 -1.53824 0 2.016 THY:LowerDNA_62 -6.03396 0.87233 3.89582 0 0 0 0 -0.60402 0 0 0 0 0 0 0 0 -1.86983 ADE_63 -12.6363 1.85161 7.05514 0 0 0 0 -0.60884 0 0 0 0 0 0 0 0 -4.3384 THY_64 -11.271 2.08777 6.01705 0 0 0 0 -0.61702 0 0 0 0 0 0 0 0 -3.78319 ADE_65 -12.5677 2.31551 7.59556 0 0 0 0 -0.85905 0 0 0 0 0 0 0 0 -3.51566 GUA_adduct:WN7_66 -14.0602 1.87874 8.25044 0 0 0 0 -1.3813 0 0 0 0 0 0 0 0 -5.31227 THY_67 -11.7819 1.61869 6.38816 0 0 0 0 -1.24964 0 0 0 0 0 0 0 0 -5.02466 GUA_adduct:WO6_adduct:WN7_68 -17.262 2.4219 10.9812 0 0 0 0 -2.21818 0 0 0 0 0 0 0 0 -6.07707 ADE_69 -17.3057 2.05544 11.5022 0 0 0 0 -3.07244 0 0 0 0 0 0 0 0 -6.82058 GUA_adduct:WO6_adduct:WN7_70 -14.1481 2.01463 8.19655 0 0 0 0 -1.35539 0 0 0 0 0 0 0 0 -5.29233 THY_71 -11.5581 1.90882 5.84171 0 0 0 0 -0.72201 0 0 0 0 0 0 0 0 -4.52955 CYT_72 -10.6456 2.0523 6.25881 0 0 0 0 -1.33582 0 0 0 0 0 0 0 0 -3.67033 GUA_73 -13.5455 2.44453 7.95741 0 0 0 0 -1.49906 0 0 0 0 0 0 0 0 -4.64263 THY_74 -11.4287 2.18987 6.2804 0 0 0 0 -0.92042 0 0 0 0 0 0 0 0 -3.87888 ADE_75 -13.0132 2.43163 7.23041 0 0 0 0 -0.79019 0 0 0 0 0 0 0 0 -4.14131 THY_76 -12.1496 2.07512 5.68518 0 0 0 0 -0.688 0 0 0 0 0 0 0 0 -5.07733 THY_77 -10.9011 1.85004 5.55796 0 0 0 0 0 0 0 0 0 0 0 0 0 -3.4931 ADE:UpperDNA_78 -6.2001 0.94925 3.71979 0 0 0 0 -0.60008 0 0 0 0 0 0 0 0 -2.13113 THY:LowerDNA_79 -6.04605 1.32856 3.65746 0 0 0 0 -0.60008 0 0 0 0 0 0 0 0 -1.66012 ADE_80 -11.4908 3.13559 6.99084 0 0 0 0 0 0 0 0 0 0 0 0 0 -1.36437 ADE_81 -13.2957 2.98814 7.46565 0 0 0 0 -0.688 0 0 0 0 0 0 0 0 -3.52986 THY_82 -11.5974 1.84629 6.14232 0 0 0 0 -0.79019 0 0 0 0 0 0 0 0 -4.39894 ADE_adduct:WN7_83 -14.128 1.94047 8.67696 0 0 0 0 -0.92042 0 0 0 0 0 0 0 0 -4.43098 CYT_84 -12.9823 1.6001 8.79365 0 0 0 0 -1.49906 0 0 0 0 0 0 0 0 -4.08758 GUA_adduct:WO6_85 -15.5563 1.6751 10.5201 0 0 0 0 -1.87194 0 0 0 0 0 0 0 0 -5.23303 ADE_adduct:WN7_86 -15.2429 1.99351 9.03011 0 0 0 0 -0.72201 0 0 0 0 0 0 0 0 -4.94127 CYT_87 -11.8603 2.38717 6.48378 0 0 0 0 -1.35539 0 0 0 0 0 0 0 0 -4.34475 THY_88 -11.5325 2.16952 5.98199 0 0 0 0 -1.04586 0 0 0 0 0 0 0 0 -4.42684 CYT_adduct:WN4_89 -11.0219 1.55904 6.59685 0 0 0 0 -1.85571 0 0 0 0 0 0 0 0 -4.72172 ADE_90 -12.8799 1.47401 7.89232 0 0 0 0 -1.24964 0 0 0 0 0 0 0 0 -4.76316 CYT_91 -12.4776 1.46781 7.21969 0 0 0 0 -1.3813 0 0 0 0 0 0 0 0 -5.17141 THY_adduct:WO4_92 -10.898 1.84597 6.01166 0 0 0 0 -0.85905 0 0 0 0 0 0 0 0 -3.89946 ADE_93 -12.7664 2.45624 7.03974 0 0 0 0 -0.61702 0 0 0 0 0 0 0 0 -3.88743 THY_94 -11.5353 1.96246 6.23232 0 0 0 0 -0.60884 0 0 0 0 0 0 0 0 -3.94932 ADE:UpperDNA_95 -6.72475 1.33133 4.01866 0 0 0 0 -0.60402 0 0 0 0 0 0 0 0 -1.97878 #END_POSE_ENERGIES_TABLE