HEADER 01-JUN-22 TITLE ALPHAFOLD MONOMER V2.0 PREDICTION FOR FERREDOXIN (A0A328Y1I9) COMPND MOL_ID: 1; COMPND 2 MOLECULE: FERREDOXIN; COMPND 3 CHAIN: A SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PARABURKHOLDERIA UNAMAE; SOURCE 3 ORGANISM_TAXID: 219649 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH JOHN JUMPER, RICHARD EVANS, ALEXANDER PRITZEL, TIM GREEN, REMARK 1 AUTH 2 MICHAEL FIGURNOV, OLAF RONNEBERGER, KATHRYN TUNYASUVUNAKOOL, REMARK 1 AUTH 3 RUSS BATES, AUGUSTIN ZIDEK, ANNA POTAPENKO, ALEX BRIDGLAND, REMARK 1 AUTH 4 CLEMENS MEYER, SIMON A A KOHL, ANDREW J BALLARD, REMARK 1 AUTH 5 ANDREW COWIE, BERNARDINO ROMERA-PAREDES, STANISLAV NIKOLOV, REMARK 1 AUTH 6 RISHUB JAIN, JONAS ADLER, TREVOR BACK, STIG PETERSEN, REMARK 1 AUTH 7 DAVID REIMAN, ELLEN CLANCY, MICHAL ZIELINSKI, REMARK 1 AUTH 8 MARTIN STEINEGGER, MICHALINA PACHOLSKA, TAMAS BERGHAMMER, REMARK 1 AUTH 9 DAVID SILVER, ORIOL VINYALS, ANDREW W SENIOR, REMARK 1 AUTH10 KORAY KAVUKCUOGLU, PUSHMEET KOHLI, DEMIS HASSABIS REMARK 1 TITL HIGHLY ACCURATE PROTEIN STRUCTURE PREDICTION WITH ALPHAFOLD REMARK 1 REF NATURE V. 596 583 2021 REMARK 1 REFN ISSN 0028-0836 REMARK 1 PMID 34265844 REMARK 1 DOI 10.1038/s41586-021-03819-2 REMARK 1 REMARK 1 DISCLAIMERS REMARK 1 ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE REMARK 1 INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD REMARK 1 BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY REMARK 1 OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT REMARK 1 USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD REMARK 1 PARTY. THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR REMARK 1 PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT REMARK 1 CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR REMARK 1 ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. DBREF XXXX A 1 92 UNP A0A328Y1I9 A0A328Y1I9_9BURK 1 92 SEQRES 1 A 92 MET VAL GLN ILE THR PHE LEU SER ASN GLY GLY LYS THR SEQRES 2 A 92 VAL GLU ALA PRO GLU ASN SER ASN LEU LEU ARG VAL SER SEQRES 3 A 92 LEU ARG GLU GLN GLY GLY ILE PRO PHE LYS CYS GLY GLY SEQRES 4 A 92 GLY LEU CYS GLY THR CYS LYS CYS ARG VAL GLU ALA GLY SEQRES 5 A 92 ARG GLU HIS THR ASP GLU VAL LYS GLN LYS GLU ARG ARG SEQRES 6 A 92 HIS LEU SER ALA GLU GLU LEU ALA SER GLY TYR ARG MET SEQRES 7 A 92 ALA CYS GLN THR PHE ILE LYS GLY ASN VAL SER VAL SER SEQRES 8 A 92 TRP CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 ATOM 1 N MET A 1 -14.145 -9.391 -6.455 1.00 89.62 N ATOM 2 CA MET A 1 -14.222 -8.075 -5.758 1.00 89.62 C ATOM 3 C MET A 1 -13.395 -8.200 -4.496 1.00 89.62 C ATOM 4 CB MET A 1 -15.663 -7.660 -5.384 1.00 89.62 C ATOM 5 O MET A 1 -13.478 -9.240 -3.856 1.00 89.62 O ATOM 6 CG MET A 1 -16.455 -7.073 -6.561 1.00 89.62 C ATOM 7 SD MET A 1 -15.979 -5.383 -7.027 1.00 89.62 S ATOM 8 CE MET A 1 -17.023 -4.453 -5.863 1.00 89.62 C ATOM 9 N VAL A 2 -12.586 -7.196 -4.171 1.00 96.94 N ATOM 10 CA VAL A 2 -11.700 -7.197 -2.997 1.00 96.94 C ATOM 11 C VAL A 2 -12.073 -6.071 -2.051 1.00 96.94 C ATOM 12 CB VAL A 2 -10.207 -7.095 -3.367 1.00 96.94 C ATOM 13 O VAL A 2 -12.532 -5.015 -2.486 1.00 96.94 O ATOM 14 CG1 VAL A 2 -9.815 -8.225 -4.311 1.00 96.94 C ATOM 15 CG2 VAL A 2 -9.814 -5.774 -4.046 1.00 96.94 C ATOM 16 N GLN A 3 -11.827 -6.287 -0.768 1.00 98.56 N ATOM 17 CA GLN A 3 -12.014 -5.296 0.276 1.00 98.56 C ATOM 18 C GLN A 3 -10.669 -4.686 0.689 1.00 98.56 C ATOM 19 CB GLN A 3 -12.751 -5.967 1.437 1.00 98.56 C ATOM 20 O GLN A 3 -9.703 -5.404 0.948 1.00 98.56 O ATOM 21 CG GLN A 3 -13.120 -4.947 2.507 1.00 98.56 C ATOM 22 CD GLN A 3 -13.922 -5.590 3.626 1.00 98.56 C ATOM 23 NE2 GLN A 3 -15.236 -5.541 3.576 1.00 98.56 N ATOM 24 OE1 GLN A 3 -13.382 -6.162 4.554 1.00 98.56 O ATOM 25 N ILE A 4 -10.611 -3.356 0.769 1.00 98.81 N ATOM 26 CA ILE A 4 -9.444 -2.606 1.247 1.00 98.81 C ATOM 27 C ILE A 4 -9.852 -1.808 2.484 1.00 98.81 C ATOM 28 CB ILE A 4 -8.865 -1.697 0.137 1.00 98.81 C ATOM 29 O ILE A 4 -10.731 -0.949 2.402 1.00 98.81 O ATOM 30 CG1 ILE A 4 -8.500 -2.525 -1.118 1.00 98.81 C ATOM 31 CG2 ILE A 4 -7.641 -0.918 0.666 1.00 98.81 C ATOM 32 CD1 ILE A 4 -7.942 -1.708 -2.287 1.00 98.81 C ATOM 33 N THR A 5 -9.186 -2.057 3.612 1.00 98.88 N ATOM 34 CA THR A 5 -9.376 -1.309 4.863 1.00 98.88 C ATOM 35 C THR A 5 -8.219 -0.335 5.088 1.00 98.88 C ATOM 36 CB THR A 5 -9.546 -2.262 6.053 1.00 98.88 C ATOM 37 O THR A 5 -7.068 -0.738 5.250 1.00 98.88 O ATOM 38 CG2 THR A 5 -9.788 -1.526 7.369 1.00 98.88 C ATOM 39 OG1 THR A 5 -10.653 -3.105 5.840 1.00 98.88 O ATOM 40 N PHE A 6 -8.521 0.960 5.127 1.00 98.81 N ATOM 41 CA PHE A 6 -7.588 2.051 5.397 1.00 98.81 C ATOM 42 C PHE A 6 -7.540 2.349 6.902 1.00 98.81 C ATOM 43 CB PHE A 6 -8.017 3.279 4.583 1.00 98.81 C ATOM 44 O PHE A 6 -8.318 3.150 7.425 1.00 98.81 O ATOM 45 CG PHE A 6 -8.002 3.095 3.079 1.00 98.81 C ATOM 46 CD1 PHE A 6 -6.784 3.075 2.372 1.00 98.81 C ATOM 47 CD2 PHE A 6 -9.214 2.951 2.383 1.00 98.81 C ATOM 48 CE1 PHE A 6 -6.778 2.884 0.978 1.00 98.81 C ATOM 49 CE2 PHE A 6 -9.208 2.796 0.988 1.00 98.81 C ATOM 50 CZ PHE A 6 -7.993 2.744 0.286 1.00 98.81 C ATOM 51 N LEU A 7 -6.620 1.698 7.614 1.00 98.81 N ATOM 52 CA LEU A 7 -6.532 1.739 9.077 1.00 98.81 C ATOM 53 C LEU A 7 -6.211 3.142 9.607 1.00 98.81 C ATOM 54 CB LEU A 7 -5.487 0.715 9.551 1.00 98.81 C ATOM 55 O LEU A 7 -6.892 3.610 10.517 1.00 98.81 O ATOM 56 CG LEU A 7 -5.846 -0.748 9.232 1.00 98.81 C ATOM 57 CD1 LEU A 7 -4.641 -1.629 9.535 1.00 98.81 C ATOM 58 CD2 LEU A 7 -7.035 -1.252 10.051 1.00 98.81 C ATOM 59 N SER A 8 -5.264 3.855 8.983 1.00 98.56 N ATOM 60 CA SER A 8 -4.915 5.240 9.350 1.00 98.56 C ATOM 61 C SER A 8 -6.045 6.253 9.069 1.00 98.56 C ATOM 62 CB SER A 8 -3.625 5.693 8.643 1.00 98.56 C ATOM 63 O SER A 8 -5.949 7.405 9.479 1.00 98.56 O ATOM 64 OG SER A 8 -2.509 4.862 8.923 1.00 98.56 O ATOM 65 N ASN A 9 -7.130 5.842 8.400 1.00 98.44 N ATOM 66 CA ASN A 9 -8.324 6.652 8.137 1.00 98.44 C ATOM 67 C ASN A 9 -9.553 6.073 8.859 1.00 98.44 C ATOM 68 CB ASN A 9 -8.497 6.787 6.620 1.00 98.44 C ATOM 69 O ASN A 9 -10.576 5.762 8.246 1.00 98.44 O ATOM 70 CG ASN A 9 -9.595 7.748 6.210 1.00 98.44 C ATOM 71 ND2 ASN A 9 -9.989 7.674 4.963 1.00 98.44 N ATOM 72 OD1 ASN A 9 -10.047 8.605 6.949 1.00 98.44 O ATOM 73 N GLY A 10 -9.416 5.841 10.168 1.00 98.31 N ATOM 74 CA GLY A 10 -10.510 5.378 11.028 1.00 98.31 C ATOM 75 C GLY A 10 -11.062 3.995 10.666 1.00 98.31 C ATOM 76 O GLY A 10 -12.227 3.721 10.933 1.00 98.31 O ATOM 77 N GLY A 11 -10.265 3.140 10.016 1.00 98.25 N ATOM 78 CA GLY A 11 -10.717 1.820 9.563 1.00 98.25 C ATOM 79 C GLY A 11 -11.686 1.860 8.376 1.00 98.25 C ATOM 80 O GLY A 11 -12.406 0.884 8.144 1.00 98.25 O ATOM 81 N LYS A 12 -11.719 2.963 7.610 1.00 98.56 N ATOM 82 CA LYS A 12 -12.560 3.080 6.412 1.00 98.56 C ATOM 83 C LYS A 12 -12.342 1.887 5.490 1.00 98.56 C ATOM 84 CB LYS A 12 -12.274 4.397 5.674 1.00 98.56 C ATOM 85 O LYS A 12 -11.214 1.586 5.112 1.00 98.56 O ATOM 86 CG LYS A 12 -13.157 4.522 4.421 1.00 98.56 C ATOM 87 CD LYS A 12 -13.002 5.885 3.745 1.00 98.56 C ATOM 88 CE LYS A 12 -14.067 6.012 2.652 1.00 98.56 C ATOM 89 NZ LYS A 12 -14.121 7.385 2.107 1.00 98.56 N ATOM 90 N THR A 13 -13.431 1.246 5.094 1.00 98.69 N ATOM 91 CA THR A 13 -13.397 0.045 4.265 1.00 98.69 C ATOM 92 C THR A 13 -14.127 0.293 2.958 1.00 98.69 C ATOM 93 CB THR A 13 -13.977 -1.131 5.045 1.00 98.69 C ATOM 94 O THR A 13 -15.219 0.857 2.964 1.00 98.69 O ATOM 95 CG2 THR A 13 -14.006 -2.395 4.211 1.00 98.69 C ATOM 96 OG1 THR A 13 -13.127 -1.402 6.141 1.00 98.69 O ATOM 97 N VAL A 14 -13.514 -0.110 1.847 1.00 98.62 N ATOM 98 CA VAL A 14 -14.081 0.042 0.503 1.00 98.62 C ATOM 99 C VAL A 14 -13.936 -1.230 -0.309 1.00 98.62 C ATOM 100 CB VAL A 14 -13.463 1.226 -0.256 1.00 98.62 C ATOM 101 O VAL A 14 -13.053 -2.049 -0.048 1.00 98.62 O ATOM 102 CG1 VAL A 14 -13.646 2.520 0.547 1.00 98.62 C ATOM 103 CG2 VAL A 14 -11.983 1.015 -0.608 1.00 98.62 C ATOM 104 N GLU A 15 -14.780 -1.366 -1.324 1.00 98.50 N ATOM 105 CA GLU A 15 -14.678 -2.436 -2.306 1.00 98.50 C ATOM 106 C GLU A 15 -14.019 -1.941 -3.592 1.00 98.50 C ATOM 107 CB GLU A 15 -16.046 -3.046 -2.605 1.00 98.50 C ATOM 108 O GLU A 15 -14.228 -0.811 -4.034 1.00 98.50 O ATOM 109 CG GLU A 15 -16.710 -3.655 -1.363 1.00 98.50 C ATOM 110 CD GLU A 15 -17.961 -4.474 -1.711 1.00 98.50 C ATOM 111 OE1 GLU A 15 -18.401 -5.228 -0.817 1.00 98.50 O ATOM 112 OE2 GLU A 15 -18.442 -4.373 -2.864 1.00 98.50 O ATOM 113 N ALA A 16 -13.227 -2.807 -4.215 1.00 97.69 N ATOM 114 CA ALA A 16 -12.617 -2.545 -5.506 1.00 97.69 C ATOM 115 C ALA A 16 -12.624 -3.811 -6.378 1.00 97.69 C ATOM 116 CB ALA A 16 -11.202 -1.998 -5.276 1.00 97.69 C ATOM 117 O ALA A 16 -12.656 -4.933 -5.860 1.00 97.69 O ATOM 118 N PRO A 17 -12.551 -3.672 -7.712 1.00 98.19 N ATOM 119 CA PRO A 17 -12.252 -4.801 -8.582 1.00 98.19 C ATOM 120 C PRO A 17 -10.934 -5.470 -8.181 1.00 98.19 C ATOM 121 CB PRO A 17 -12.188 -4.227 -10.000 1.00 98.19 C ATOM 122 O PRO A 17 -10.012 -4.813 -7.690 1.00 98.19 O ATOM 123 CG PRO A 17 -13.042 -2.962 -9.907 1.00 98.19 C ATOM 124 CD PRO A 17 -12.769 -2.465 -8.491 1.00 98.19 C ATOM 125 N GLU A 18 -10.820 -6.771 -8.425 1.00 96.12 N ATOM 126 CA GLU A 18 -9.526 -7.448 -8.317 1.00 96.12 C ATOM 127 C GLU A 18 -8.498 -6.808 -9.247 1.00 96.12 C ATOM 128 CB GLU A 18 -9.668 -8.934 -8.648 1.00 96.12 C ATOM 129 O GLU A 18 -8.831 -6.233 -10.284 1.00 96.12 O ATOM 130 CG GLU A 18 -10.225 -9.674 -7.436 1.00 96.12 C ATOM 131 CD GLU A 18 -10.724 -11.064 -7.790 1.00 96.12 C ATOM 132 OE1 GLU A 18 -11.851 -11.343 -7.312 1.00 96.12 O ATOM 133 OE2 GLU A 18 -10.048 -11.748 -8.587 1.00 96.12 O ATOM 134 N ASN A 19 -7.231 -6.912 -8.857 1.00 97.62 N ATOM 135 CA ASN A 19 -6.110 -6.292 -9.547 1.00 97.62 C ATOM 136 C ASN A 19 -6.231 -4.756 -9.638 1.00 97.62 C ATOM 137 CB ASN A 19 -5.903 -7.018 -10.886 1.00 97.62 C ATOM 138 O ASN A 19 -5.777 -4.135 -10.600 1.00 97.62 O ATOM 139 CG ASN A 19 -4.513 -6.825 -11.442 1.00 97.62 C ATOM 140 ND2 ASN A 19 -4.382 -6.777 -12.746 1.00 97.62 N ATOM 141 OD1 ASN A 19 -3.524 -6.767 -10.728 1.00 97.62 O ATOM 142 N SER A 20 -6.837 -4.123 -8.630 1.00 98.31 N ATOM 143 CA SER A 20 -6.884 -2.662 -8.514 1.00 98.31 C ATOM 144 C SER A 20 -5.582 -2.099 -7.943 1.00 98.31 C ATOM 145 CB SER A 20 -8.064 -2.205 -7.659 1.00 98.31 C ATOM 146 O SER A 20 -4.979 -2.674 -7.038 1.00 98.31 O ATOM 147 OG SER A 20 -9.261 -2.392 -8.373 1.00 98.31 O ATOM 148 N ASN A 21 -5.158 -0.932 -8.434 1.00 98.69 N ATOM 149 CA ASN A 21 -4.000 -0.218 -7.891 1.00 98.69 C ATOM 150 C ASN A 21 -4.349 0.469 -6.559 1.00 98.69 C ATOM 151 CB ASN A 21 -3.507 0.790 -8.936 1.00 98.69 C ATOM 152 O ASN A 21 -5.260 1.300 -6.518 1.00 98.69 O ATOM 153 CG ASN A 21 -2.284 1.549 -8.456 1.00 98.69 C ATOM 154 ND2 ASN A 21 -1.112 1.038 -8.749 1.00 98.69 N ATOM 155 OD1 ASN A 21 -2.376 2.603 -7.840 1.00 98.69 O ATOM 156 N LEU A 22 -3.589 0.180 -5.498 1.00 98.75 N ATOM 157 CA LEU A 22 -3.891 0.624 -4.133 1.00 98.75 C ATOM 158 C LEU A 22 -3.989 2.151 -4.011 1.00 98.75 C ATOM 159 CB LEU A 22 -2.828 0.044 -3.180 1.00 98.75 C ATOM 160 O LEU A 22 -4.950 2.663 -3.436 1.00 98.75 O ATOM 161 CG LEU A 22 -2.992 0.465 -1.706 1.00 98.75 C ATOM 162 CD1 LEU A 22 -4.333 0.022 -1.124 1.00 98.75 C ATOM 163 CD2 LEU A 22 -1.869 -0.139 -0.865 1.00 98.75 C ATOM 164 N LEU A 23 -3.039 2.899 -4.588 1.00 98.81 N ATOM 165 CA LEU A 23 -3.103 4.362 -4.537 1.00 98.81 C ATOM 166 C LEU A 23 -4.310 4.902 -5.311 1.00 98.81 C ATOM 167 CB LEU A 23 -1.795 4.993 -5.043 1.00 98.81 C ATOM 168 O LEU A 23 -4.958 5.832 -4.846 1.00 98.81 O ATOM 169 CG LEU A 23 -1.819 6.535 -5.050 1.00 98.81 C ATOM 170 CD1 LEU A 23 -1.994 7.126 -3.652 1.00 98.81 C ATOM 171 CD2 LEU A 23 -0.522 7.095 -5.627 1.00 98.81 C ATOM 172 N ARG A 24 -4.638 4.340 -6.480 1.00 98.69 N ATOM 173 CA ARG A 24 -5.787 4.815 -7.270 1.00 98.69 C ATOM 174 C ARG A 24 -7.107 4.602 -6.538 1.00 98.69 C ATOM 175 CB ARG A 24 -5.819 4.155 -8.656 1.00 98.69 C ATOM 176 O ARG A 24 -7.941 5.503 -6.573 1.00 98.69 O ATOM 177 CG ARG A 24 -4.635 4.568 -9.543 1.00 98.69 C ATOM 178 CD ARG A 24 -4.733 6.028 -9.999 1.00 98.69 C ATOM 179 NE ARG A 24 -3.463 6.483 -10.593 1.00 98.69 N ATOM 180 NH1 ARG A 24 -4.276 8.350 -11.657 1.00 98.69 N ATOM 181 NH2 ARG A 24 -2.094 7.889 -11.744 1.00 98.69 N ATOM 182 CZ ARG A 24 -3.286 7.568 -11.326 1.00 98.69 C ATOM 183 N VAL A 25 -7.264 3.472 -5.847 1.00 98.69 N ATOM 184 CA VAL A 25 -8.429 3.240 -4.981 1.00 98.69 C ATOM 185 C VAL A 25 -8.433 4.233 -3.822 1.00 98.69 C ATOM 186 CB VAL A 25 -8.501 1.791 -4.467 1.00 98.69 C ATOM 187 O VAL A 25 -9.441 4.889 -3.601 1.00 98.69 O ATOM 188 CG1 VAL A 25 -9.743 1.612 -3.586 1.00 98.69 C ATOM 189 CG2 VAL A 25 -8.602 0.797 -5.629 1.00 98.69 C ATOM 190 N SER A 26 -7.297 4.435 -3.146 1.00 98.75 N ATOM 191 CA SER A 26 -7.200 5.411 -2.053 1.00 98.75 C ATOM 192 C SER A 26 -7.569 6.836 -2.490 1.00 98.75 C ATOM 193 CB SER A 26 -5.789 5.399 -1.466 1.00 98.75 C ATOM 194 O SER A 26 -8.268 7.535 -1.769 1.00 98.75 O ATOM 195 OG SER A 26 -5.780 6.068 -0.223 1.00 98.75 O ATOM 196 N LEU A 27 -7.167 7.271 -3.685 1.00 98.62 N ATOM 197 CA LEU A 27 -7.533 8.592 -4.206 1.00 98.62 C ATOM 198 C LEU A 27 -9.026 8.701 -4.524 1.00 98.62 C ATOM 199 CB LEU A 27 -6.709 8.891 -5.467 1.00 98.62 C ATOM 200 O LEU A 27 -9.659 9.686 -4.151 1.00 98.62 O ATOM 201 CG LEU A 27 -5.215 9.119 -5.200 1.00 98.62 C ATOM 202 CD1 LEU A 27 -4.475 9.270 -6.532 1.00 98.62 C ATOM 203 CD2 LEU A 27 -4.969 10.368 -4.372 1.00 98.62 C ATOM 204 N ARG A 28 -9.583 7.698 -5.212 1.00 98.44 N ATOM 205 CA ARG A 28 -10.996 7.689 -5.612 1.00 98.44 C ATOM 206 C ARG A 28 -11.915 7.650 -4.399 1.00 98.44 C ATOM 207 CB ARG A 28 -11.246 6.485 -6.529 1.00 98.44 C ATOM 208 O ARG A 28 -12.858 8.424 -4.310 1.00 98.44 O ATOM 209 CG ARG A 28 -12.704 6.442 -7.009 1.00 98.44 C ATOM 210 CD ARG A 28 -12.960 5.219 -7.888 1.00 98.44 C ATOM 211 NE ARG A 28 -12.279 5.343 -9.194 1.00 98.44 N ATOM 212 NH1 ARG A 28 -12.806 3.256 -9.963 1.00 98.44 N ATOM 213 NH2 ARG A 28 -11.687 4.670 -11.287 1.00 98.44 N ATOM 214 CZ ARG A 28 -12.256 4.424 -10.139 1.00 98.44 C ATOM 215 N GLU A 29 -11.591 6.774 -3.463 1.00 98.50 N ATOM 216 CA GLU A 29 -12.419 6.481 -2.306 1.00 98.50 C ATOM 217 C GLU A 29 -12.059 7.328 -1.086 1.00 98.50 C ATOM 218 CB GLU A 29 -12.319 4.987 -1.989 1.00 98.50 C ATOM 219 O GLU A 29 -12.521 7.050 0.018 1.00 98.50 O ATOM 220 CG GLU A 29 -12.774 4.058 -3.129 1.00 98.50 C ATOM 221 CD GLU A 29 -14.165 4.407 -3.670 1.00 98.50 C ATOM 222 OE1 GLU A 29 -14.309 4.367 -4.916 1.00 98.50 O ATOM 223 OE2 GLU A 29 -15.031 4.773 -2.843 1.00 98.50 O ATOM 224 N GLN A 30 -11.217 8.354 -1.243 1.00 98.31 N ATOM 225 CA GLN A 30 -10.762 9.208 -0.139 1.00 98.31 C ATOM 226 C GLN A 30 -10.191 8.378 1.030 1.00 98.31 C ATOM 227 CB GLN A 30 -11.891 10.156 0.301 1.00 98.31 C ATOM 228 O GLN A 30 -10.505 8.602 2.197 1.00 98.31 O ATOM 229 CG GLN A 30 -12.509 10.975 -0.845 1.00 98.31 C ATOM 230 CD GLN A 30 -13.732 11.762 -0.388 1.00 98.31 C ATOM 231 NE2 GLN A 30 -14.400 12.450 -1.285 1.00 98.31 N ATOM 232 OE1 GLN A 30 -14.126 11.758 0.766 1.00 98.31 O ATOM 233 N GLY A 31 -9.394 7.361 0.696 1.00 98.38 N ATOM 234 CA GLY A 31 -8.731 6.454 1.626 1.00 98.38 C ATOM 235 C GLY A 31 -7.619 7.126 2.427 1.00 98.38 C ATOM 236 O GLY A 31 -7.400 6.723 3.557 1.00 98.38 O ATOM 237 N GLY A 32 -6.983 8.176 1.897 1.00 98.44 N ATOM 238 CA GLY A 32 -6.090 9.059 2.661 1.00 98.44 C ATOM 239 C GLY A 32 -4.589 8.762 2.570 1.00 98.44 C ATOM 240 O GLY A 32 -3.816 9.450 3.231 1.00 98.44 O ATOM 241 N ILE A 33 -4.152 7.801 1.744 1.00 98.69 N ATOM 242 CA ILE A 33 -2.719 7.519 1.558 1.00 98.69 C ATOM 243 C ILE A 33 -2.016 8.768 0.981 1.00 98.69 C ATOM 244 CB ILE A 33 -2.481 6.273 0.672 1.00 98.69 C ATOM 245 O ILE A 33 -2.425 9.251 -0.082 1.00 98.69 O ATOM 246 CG1 ILE A 33 -2.994 5.001 1.389 1.00 98.69 C ATOM 247 CG2 ILE A 33 -0.984 6.114 0.337 1.00 98.69 C ATOM 248 CD1 ILE A 33 -2.936 3.720 0.546 1.00 98.69 C ATOM 249 N PRO A 34 -0.936 9.274 1.614 1.00 98.44 N ATOM 250 CA PRO A 34 -0.180 10.419 1.130 1.00 98.44 C ATOM 251 C PRO A 34 0.382 10.161 -0.263 1.00 98.44 C ATOM 252 CB PRO A 34 0.939 10.657 2.150 1.00 98.44 C ATOM 253 O PRO A 34 0.823 9.061 -0.594 1.00 98.44 O ATOM 254 CG PRO A 34 0.384 10.058 3.436 1.00 98.44 C ATOM 255 CD PRO A 34 -0.450 8.891 2.922 1.00 98.44 C ATOM 256 N PHE A 35 0.405 11.180 -1.115 1.00 98.19 N ATOM 257 CA PHE A 35 0.901 11.018 -2.476 1.00 98.19 C ATOM 258 C PHE A 35 1.511 12.301 -3.024 1.00 98.19 C ATOM 259 CB PHE A 35 -0.218 10.483 -3.380 1.00 98.19 C ATOM 260 O PHE A 35 1.243 13.402 -2.553 1.00 98.19 O ATOM 261 CG PHE A 35 -1.293 11.496 -3.721 1.00 98.19 C ATOM 262 CD1 PHE A 35 -2.274 11.831 -2.768 1.00 98.19 C ATOM 263 CD2 PHE A 35 -1.297 12.124 -4.982 1.00 98.19 C ATOM 264 CE1 PHE A 35 -3.248 12.799 -3.073 1.00 98.19 C ATOM 265 CE2 PHE A 35 -2.280 13.082 -5.289 1.00 98.19 C ATOM 266 CZ PHE A 35 -3.254 13.419 -4.334 1.00 98.19 C ATOM 267 N LYS A 36 2.357 12.129 -4.044 1.00 98.12 N ATOM 268 CA LYS A 36 2.928 13.232 -4.825 1.00 98.12 C ATOM 269 C LYS A 36 3.051 12.862 -6.303 1.00 98.12 C ATOM 270 CB LYS A 36 4.236 13.704 -4.162 1.00 98.12 C ATOM 271 O LYS A 36 2.335 13.410 -7.124 1.00 98.12 O ATOM 272 CG LYS A 36 4.833 14.955 -4.822 1.00 98.12 C ATOM 273 CD LYS A 36 6.097 15.414 -4.078 1.00 98.12 C ATOM 274 CE LYS A 36 6.643 16.708 -4.698 1.00 98.12 C ATOM 275 NZ LYS A 36 7.828 17.225 -3.963 1.00 98.12 N ATOM 276 N CYS A 37 3.905 11.893 -6.657 1.00 97.81 N ATOM 277 CA CYS A 37 4.151 11.552 -8.073 1.00 97.81 C ATOM 278 C CYS A 37 3.231 10.467 -8.665 1.00 97.81 C ATOM 279 CB CYS A 37 5.625 11.156 -8.264 1.00 97.81 C ATOM 280 O CYS A 37 3.085 10.392 -9.879 1.00 97.81 O ATOM 281 SG CYS A 37 5.957 9.482 -7.621 1.00 97.81 S ATOM 282 N GLY A 38 2.699 9.554 -7.843 1.00 96.94 N ATOM 283 CA GLY A 38 1.900 8.408 -8.305 1.00 96.94 C ATOM 284 C GLY A 38 2.616 7.397 -9.224 1.00 96.94 C ATOM 285 O GLY A 38 1.954 6.507 -9.748 1.00 96.94 O ATOM 286 N GLY A 39 3.936 7.511 -9.426 1.00 96.69 N ATOM 287 CA GLY A 39 4.686 6.750 -10.442 1.00 96.69 C ATOM 288 C GLY A 39 5.926 5.993 -9.948 1.00 96.69 C ATOM 289 O GLY A 39 6.704 5.494 -10.768 1.00 96.69 O ATOM 290 N GLY A 40 6.130 5.913 -8.629 1.00 97.12 N ATOM 291 CA GLY A 40 7.274 5.221 -8.020 1.00 97.12 C ATOM 292 C GLY A 40 8.563 6.048 -7.952 1.00 97.12 C ATOM 293 O GLY A 40 9.646 5.479 -7.868 1.00 97.12 O ATOM 294 N LEU A 41 8.464 7.380 -8.027 1.00 97.69 N ATOM 295 CA LEU A 41 9.625 8.278 -8.086 1.00 97.69 C ATOM 296 C LEU A 41 10.008 8.897 -6.735 1.00 97.69 C ATOM 297 CB LEU A 41 9.368 9.391 -9.120 1.00 97.69 C ATOM 298 O LEU A 41 11.180 9.174 -6.526 1.00 97.69 O ATOM 299 CG LEU A 41 9.133 8.905 -10.561 1.00 97.69 C ATOM 300 CD1 LEU A 41 8.733 10.088 -11.440 1.00 97.69 C ATOM 301 CD2 LEU A 41 10.380 8.250 -11.155 1.00 97.69 C ATOM 302 N CYS A 42 9.048 9.135 -5.836 1.00 97.62 N ATOM 303 CA CYS A 42 9.255 10.036 -4.692 1.00 97.62 C ATOM 304 C CYS A 42 9.098 9.414 -3.296 1.00 97.62 C ATOM 305 CB CYS A 42 8.315 11.240 -4.863 1.00 97.62 C ATOM 306 O CYS A 42 9.218 10.143 -2.321 1.00 97.62 O ATOM 307 SG CYS A 42 6.587 10.749 -4.576 1.00 97.62 S ATOM 308 N GLY A 43 8.729 8.136 -3.167 1.00 97.00 N ATOM 309 CA GLY A 43 8.545 7.492 -1.854 1.00 97.00 C ATOM 310 C GLY A 43 7.325 7.941 -1.027 1.00 97.00 C ATOM 311 O GLY A 43 6.928 7.220 -0.125 1.00 97.00 O ATOM 312 N THR A 44 6.679 9.072 -1.343 1.00 98.56 N ATOM 313 CA THR A 44 5.619 9.687 -0.506 1.00 98.56 C ATOM 314 C THR A 44 4.448 8.760 -0.185 1.00 98.56 C ATOM 315 CB THR A 44 5.048 10.943 -1.185 1.00 98.56 C ATOM 316 O THR A 44 3.908 8.832 0.906 1.00 98.56 O ATOM 317 CG2 THR A 44 4.165 11.806 -0.288 1.00 98.56 C ATOM 318 OG1 THR A 44 6.101 11.772 -1.628 1.00 98.56 O ATOM 319 N CYS A 45 4.070 7.874 -1.108 1.00 98.69 N ATOM 320 CA CYS A 45 2.990 6.909 -0.888 1.00 98.69 C ATOM 321 C CYS A 45 3.462 5.614 -0.214 1.00 98.69 C ATOM 322 CB CYS A 45 2.240 6.687 -2.209 1.00 98.69 C ATOM 323 O CYS A 45 2.944 4.538 -0.532 1.00 98.69 O ATOM 324 SG CYS A 45 3.294 5.736 -3.343 1.00 98.69 S ATOM 325 N LYS A 46 4.498 5.691 0.629 1.00 98.69 N ATOM 326 CA LYS A 46 4.905 4.575 1.478 1.00 98.69 C ATOM 327 C LYS A 46 3.737 4.239 2.401 1.00 98.69 C ATOM 328 CB LYS A 46 6.188 4.912 2.262 1.00 98.69 C ATOM 329 O LYS A 46 3.169 5.121 3.030 1.00 98.69 O ATOM 330 CG LYS A 46 6.655 3.697 3.083 1.00 98.69 C ATOM 331 CD LYS A 46 8.069 3.826 3.671 1.00 98.69 C ATOM 332 CE LYS A 46 8.147 4.587 4.997 1.00 98.69 C ATOM 333 NZ LYS A 46 9.515 4.455 5.570 1.00 98.69 N ATOM 334 N CYS A 47 3.377 2.970 2.433 1.00 98.75 N ATOM 335 CA CYS A 47 2.341 2.415 3.288 1.00 98.75 C ATOM 336 C CYS A 47 2.808 1.048 3.780 1.00 98.75 C ATOM 337 CB CYS A 47 1.020 2.339 2.502 1.00 98.75 C ATOM 338 O CYS A 47 3.753 0.476 3.232 1.00 98.75 O ATOM 339 SG CYS A 47 1.154 1.235 1.060 1.00 98.75 S ATOM 340 N ARG A 48 2.132 0.493 4.773 1.00 98.81 N ATOM 341 CA ARG A 48 2.345 -0.863 5.255 1.00 98.81 C ATOM 342 C ARG A 48 1.081 -1.678 5.054 1.00 98.81 C ATOM 343 CB ARG A 48 2.787 -0.795 6.714 1.00 98.81 C ATOM 344 O ARG A 48 -0.017 -1.219 5.349 1.00 98.81 O ATOM 345 CG ARG A 48 3.262 -2.153 7.224 1.00 98.81 C ATOM 346 CD ARG A 48 3.733 -1.981 8.660 1.00 98.81 C ATOM 347 NE ARG A 48 4.287 -3.236 9.179 1.00 98.81 N ATOM 348 NH1 ARG A 48 3.905 -2.789 11.388 1.00 98.81 N ATOM 349 NH2 ARG A 48 4.950 -4.679 10.780 1.00 98.81 N ATOM 350 CZ ARG A 48 4.373 -3.560 10.450 1.00 98.81 C ATOM 351 N VAL A 49 1.242 -2.880 4.521 1.00 98.75 N ATOM 352 CA VAL A 49 0.174 -3.876 4.451 1.00 98.75 C ATOM 353 C VAL A 49 0.192 -4.639 5.770 1.00 98.75 C ATOM 354 CB VAL A 49 0.357 -4.791 3.231 1.00 98.75 C ATOM 355 O VAL A 49 1.083 -5.458 5.997 1.00 98.75 O ATOM 356 CG1 VAL A 49 -0.806 -5.779 3.116 1.00 98.75 C ATOM 357 CG2 VAL A 49 0.443 -3.995 1.921 1.00 98.75 C ATOM 358 N GLU A 50 -0.755 -4.316 6.648 1.00 98.69 N ATOM 359 CA GLU A 50 -0.865 -4.897 7.992 1.00 98.69 C ATOM 360 C GLU A 50 -1.484 -6.304 7.937 1.00 98.69 C ATOM 361 CB GLU A 50 -1.697 -3.971 8.900 1.00 98.69 C ATOM 362 O GLU A 50 -1.090 -7.180 8.703 1.00 98.69 O ATOM 363 CG GLU A 50 -1.118 -2.559 9.115 1.00 98.69 C ATOM 364 CD GLU A 50 0.171 -2.475 9.950 1.00 98.69 C ATOM 365 OE1 GLU A 50 0.627 -1.331 10.181 1.00 98.69 O ATOM 366 OE2 GLU A 50 0.748 -3.513 10.340 1.00 98.69 O ATOM 367 N ALA A 51 -2.396 -6.553 6.989 1.00 98.62 N ATOM 368 CA ALA A 51 -2.944 -7.880 6.698 1.00 98.62 C ATOM 369 C ALA A 51 -3.161 -8.094 5.191 1.00 98.62 C ATOM 370 CB ALA A 51 -4.249 -8.084 7.477 1.00 98.62 C ATOM 371 O ALA A 51 -3.437 -7.144 4.454 1.00 98.62 O ATOM 372 N GLY A 52 -3.059 -9.351 4.741 1.00 98.12 N ATOM 373 CA GLY A 52 -3.237 -9.738 3.337 1.00 98.12 C ATOM 374 C GLY A 52 -2.025 -9.428 2.453 1.00 98.12 C ATOM 375 O GLY A 52 -2.169 -9.023 1.302 1.00 98.12 O ATOM 376 N ARG A 53 -0.799 -9.583 2.966 1.00 97.50 N ATOM 377 CA ARG A 53 0.430 -9.309 2.191 1.00 97.50 C ATOM 378 C ARG A 53 0.545 -10.215 0.965 1.00 97.50 C ATOM 379 CB ARG A 53 1.656 -9.478 3.093 1.00 97.50 C ATOM 380 O ARG A 53 0.940 -9.761 -0.106 1.00 97.50 O ATOM 381 CG ARG A 53 1.764 -8.341 4.119 1.00 97.50 C ATOM 382 CD ARG A 53 2.947 -8.543 5.065 1.00 97.50 C ATOM 383 NE ARG A 53 4.229 -8.557 4.335 1.00 97.50 N ATOM 384 NH1 ARG A 53 5.548 -9.267 6.072 1.00 97.50 N ATOM 385 NH2 ARG A 53 6.488 -8.751 4.140 1.00 97.50 N ATOM 386 CZ ARG A 53 5.404 -8.866 4.843 1.00 97.50 C ATOM 387 N GLU A 54 0.146 -11.467 1.121 1.00 97.81 N ATOM 388 CA GLU A 54 0.005 -12.494 0.090 1.00 97.81 C ATOM 389 C GLU A 54 -1.027 -12.132 -0.990 1.00 97.81 C ATOM 390 CB GLU A 54 -0.322 -13.842 0.768 1.00 97.81 C ATOM 391 O GLU A 54 -0.960 -12.636 -2.108 1.00 97.81 O ATOM 392 CG GLU A 54 -1.709 -13.987 1.438 1.00 97.81 C ATOM 393 CD GLU A 54 -1.901 -13.295 2.807 1.00 97.81 C ATOM 394 OE1 GLU A 54 -3.001 -13.426 3.378 1.00 97.81 O ATOM 395 OE2 GLU A 54 -0.987 -12.574 3.280 1.00 97.81 O ATOM 396 N HIS A 55 -1.938 -11.202 -0.692 1.00 98.31 N ATOM 397 CA HIS A 55 -2.923 -10.669 -1.631 1.00 98.31 C ATOM 398 C HIS A 55 -2.425 -9.441 -2.396 1.00 98.31 C ATOM 399 CB HIS A 55 -4.223 -10.362 -0.890 1.00 98.31 C ATOM 400 O HIS A 55 -3.210 -8.761 -3.058 1.00 98.31 O ATOM 401 CG HIS A 55 -4.848 -11.540 -0.201 1.00 98.31 C ATOM 402 CD2 HIS A 55 -4.755 -12.860 -0.555 1.00 98.31 C ATOM 403 ND1 HIS A 55 -5.631 -11.471 0.924 1.00 98.31 N ATOM 404 CE1 HIS A 55 -5.971 -12.725 1.263 1.00 98.31 C ATOM 405 NE2 HIS A 55 -5.489 -13.601 0.369 1.00 98.31 N ATOM 406 N THR A 56 -1.131 -9.140 -2.334 1.00 98.06 N ATOM 407 CA THR A 56 -0.517 -8.097 -3.155 1.00 98.06 C ATOM 408 C THR A 56 0.300 -8.707 -4.282 1.00 98.06 C ATOM 409 CB THR A 56 0.283 -7.090 -2.325 1.00 98.06 C ATOM 410 O THR A 56 0.743 -9.853 -4.223 1.00 98.06 O ATOM 411 CG2 THR A 56 -0.569 -6.465 -1.223 1.00 98.06 C ATOM 412 OG1 THR A 56 1.426 -7.644 -1.713 1.00 98.06 O ATOM 413 N ASP A 57 0.481 -7.953 -5.357 1.00 98.19 N ATOM 414 CA ASP A 57 1.433 -8.339 -6.385 1.00 98.19 C ATOM 415 C ASP A 57 2.887 -8.225 -5.913 1.00 98.19 C ATOM 416 CB ASP A 57 1.154 -7.551 -7.659 1.00 98.19 C ATOM 417 O ASP A 57 3.194 -7.675 -4.851 1.00 98.19 O ATOM 418 CG ASP A 57 1.523 -6.071 -7.609 1.00 98.19 C ATOM 419 OD1 ASP A 57 1.688 -5.442 -6.537 1.00 98.19 O ATOM 420 OD2 ASP A 57 1.603 -5.520 -8.723 1.00 98.19 O ATOM 421 N GLU A 58 3.796 -8.763 -6.722 1.00 98.06 N ATOM 422 CA GLU A 58 5.215 -8.787 -6.394 1.00 98.06 C ATOM 423 C GLU A 58 5.791 -7.380 -6.198 1.00 98.06 C ATOM 424 CB GLU A 58 6.008 -9.517 -7.480 1.00 98.06 C ATOM 425 O GLU A 58 5.414 -6.410 -6.869 1.00 98.06 O ATOM 426 CG GLU A 58 5.615 -10.996 -7.605 1.00 98.06 C ATOM 427 CD GLU A 58 6.482 -11.744 -8.627 1.00 98.06 C ATOM 428 OE1 GLU A 58 6.334 -12.981 -8.685 1.00 98.06 O ATOM 429 OE2 GLU A 58 7.261 -11.074 -9.343 1.00 98.06 O ATOM 430 N VAL A 59 6.763 -7.290 -5.288 1.00 98.19 N ATOM 431 CA VAL A 59 7.520 -6.063 -5.037 1.00 98.19 C ATOM 432 C VAL A 59 8.305 -5.675 -6.287 1.00 98.19 C ATOM 433 CB VAL A 59 8.475 -6.226 -3.846 1.00 98.19 C ATOM 434 O VAL A 59 9.213 -6.392 -6.722 1.00 98.19 O ATOM 435 CG1 VAL A 59 9.313 -4.959 -3.640 1.00 98.19 C ATOM 436 CG2 VAL A 59 7.710 -6.511 -2.547 1.00 98.19 C ATOM 437 N LYS A 60 8.016 -4.491 -6.828 1.00 98.00 N ATOM 438 CA LYS A 60 8.646 -4.001 -8.063 1.00 98.00 C ATOM 439 C LYS A 60 10.008 -3.365 -7.804 1.00 98.00 C ATOM 440 CB LYS A 60 7.704 -3.032 -8.789 1.00 98.00 C ATOM 441 O LYS A 60 10.276 -2.823 -6.734 1.00 98.00 O ATOM 442 CG LYS A 60 6.413 -3.736 -9.213 1.00 98.00 C ATOM 443 CD LYS A 60 5.515 -2.790 -10.021 1.00 98.00 C ATOM 444 CE LYS A 60 4.201 -3.481 -10.384 1.00 98.00 C ATOM 445 NZ LYS A 60 3.472 -3.854 -9.162 1.00 98.00 N ATOM 446 N GLN A 61 10.851 -3.307 -8.839 1.00 97.62 N ATOM 447 CA GLN A 61 12.173 -2.665 -8.761 1.00 97.62 C ATOM 448 C GLN A 61 12.101 -1.199 -8.300 1.00 97.62 C ATOM 449 CB GLN A 61 12.857 -2.748 -10.133 1.00 97.62 C ATOM 450 O GLN A 61 12.980 -0.744 -7.576 1.00 97.62 O ATOM 451 CG GLN A 61 14.347 -2.359 -10.068 1.00 97.62 C ATOM 452 CD GLN A 61 15.002 -2.282 -11.442 1.00 97.62 C ATOM 453 NE2 GLN A 61 16.307 -2.149 -11.514 1.00 97.62 N ATOM 454 OE1 GLN A 61 14.354 -2.264 -12.470 1.00 97.62 O ATOM 455 N LYS A 62 11.052 -0.459 -8.683 1.00 97.62 N ATOM 456 CA LYS A 62 10.848 0.928 -8.233 1.00 97.62 C ATOM 457 C LYS A 62 10.664 1.031 -6.719 1.00 97.62 C ATOM 458 CB LYS A 62 9.647 1.557 -8.949 1.00 97.62 C ATOM 459 O LYS A 62 11.142 1.992 -6.135 1.00 97.62 O ATOM 460 CG LYS A 62 9.919 1.839 -10.435 1.00 97.62 C ATOM 461 CD LYS A 62 8.671 2.481 -11.048 1.00 97.62 C ATOM 462 CE LYS A 62 8.860 2.914 -12.500 1.00 97.62 C ATOM 463 NZ LYS A 62 7.637 3.606 -12.976 1.00 97.62 N ATOM 464 N GLU A 63 10.027 0.045 -6.089 1.00 98.38 N ATOM 465 CA GLU A 63 9.855 0.004 -4.631 1.00 98.38 C ATOM 466 C GLU A 63 11.192 -0.227 -3.927 1.00 98.38 C ATOM 467 CB GLU A 63 8.835 -1.074 -4.238 1.00 98.38 C ATOM 468 O GLU A 63 11.514 0.478 -2.977 1.00 98.38 O ATOM 469 CG GLU A 63 7.476 -0.836 -4.904 1.00 98.38 C ATOM 470 CD GLU A 63 6.438 -1.857 -4.442 1.00 98.38 C ATOM 471 OE1 GLU A 63 5.855 -1.657 -3.354 1.00 98.38 O ATOM 472 OE2 GLU A 63 6.201 -2.830 -5.195 1.00 98.38 O ATOM 473 N ARG A 64 12.031 -1.116 -4.474 1.00 98.00 N ATOM 474 CA ARG A 64 13.384 -1.416 -3.962 1.00 98.00 C ATOM 475 C ARG A 64 14.354 -0.228 -4.009 1.00 98.00 C ATOM 476 CB ARG A 64 13.989 -2.599 -4.737 1.00 98.00 C ATOM 477 O ARG A 64 15.429 -0.307 -3.435 1.00 98.00 O ATOM 478 CG ARG A 64 13.148 -3.876 -4.632 1.00 98.00 C ATOM 479 CD ARG A 64 13.773 -5.008 -5.454 1.00 98.00 C ATOM 480 NE ARG A 64 12.904 -6.199 -5.463 1.00 98.00 N ATOM 481 NH1 ARG A 64 13.560 -7.104 -3.449 1.00 98.00 N ATOM 482 NH2 ARG A 64 12.010 -8.134 -4.687 1.00 98.00 N ATOM 483 CZ ARG A 64 12.834 -7.137 -4.534 1.00 98.00 C ATOM 484 N ARG A 65 14.005 0.859 -4.710 1.00 97.00 N ATOM 485 CA ARG A 65 14.785 2.112 -4.712 1.00 97.00 C ATOM 486 C ARG A 65 14.489 3.002 -3.505 1.00 97.00 C ATOM 487 CB ARG A 65 14.533 2.907 -6.000 1.00 97.00 C ATOM 488 O ARG A 65 15.272 3.902 -3.235 1.00 97.00 O ATOM 489 CG ARG A 65 15.015 2.173 -7.254 1.00 97.00 C ATOM 490 CD ARG A 65 14.716 3.019 -8.493 1.00 97.00 C ATOM 491 NE ARG A 65 15.077 2.306 -9.733 1.00 97.00 N ATOM 492 NH1 ARG A 65 14.819 4.071 -11.177 1.00 97.00 N ATOM 493 NH2 ARG A 65 15.462 2.085 -11.969 1.00 97.00 N ATOM 494 CZ ARG A 65 15.118 2.821 -10.949 1.00 97.00 C ATOM 495 N HIS A 66 13.357 2.785 -2.835 1.00 97.69 N ATOM 496 CA HIS A 66 12.875 3.624 -1.731 1.00 97.69 C ATOM 497 C HIS A 66 12.705 2.859 -0.421 1.00 97.69 C ATOM 498 CB HIS A 66 11.538 4.267 -2.127 1.00 97.69 C ATOM 499 O HIS A 66 12.652 3.495 0.624 1.00 97.69 O ATOM 500 CG HIS A 66 11.647 5.237 -3.274 1.00 97.69 C ATOM 501 CD2 HIS A 66 11.295 4.996 -4.569 1.00 97.69 C ATOM 502 ND1 HIS A 66 12.160 6.529 -3.188 1.00 97.69 N ATOM 503 CE1 HIS A 66 12.156 7.020 -4.432 1.00 97.69 C ATOM 504 NE2 HIS A 66 11.617 6.128 -5.283 1.00 97.69 N ATOM 505 N LEU A 67 12.579 1.531 -0.480 1.00 98.25 N ATOM 506 CA LEU A 67 12.329 0.669 0.672 1.00 98.25 C ATOM 507 C LEU A 67 13.486 -0.307 0.867 1.00 98.25 C ATOM 508 CB LEU A 67 11.003 -0.090 0.482 1.00 98.25 C ATOM 509 O LEU A 67 13.918 -0.951 -0.096 1.00 98.25 O ATOM 510 CG LEU A 67 9.778 0.807 0.242 1.00 98.25 C ATOM 511 CD1 LEU A 67 8.530 -0.048 0.041 1.00 98.25 C ATOM 512 CD2 LEU A 67 9.502 1.752 1.408 1.00 98.25 C ATOM 513 N SER A 68 13.951 -0.441 2.109 1.00 98.31 N ATOM 514 CA SER A 68 14.967 -1.433 2.471 1.00 98.31 C ATOM 515 C SER A 68 14.418 -2.866 2.391 1.00 98.31 C ATOM 516 CB SER A 68 15.579 -1.120 3.845 1.00 98.31 C ATOM 517 O SER A 68 13.206 -3.095 2.322 1.00 98.31 O ATOM 518 OG SER A 68 14.907 -1.774 4.899 1.00 98.31 O ATOM 519 N ALA A 69 15.308 -3.861 2.410 1.00 98.06 N ATOM 520 CA ALA A 69 14.896 -5.263 2.449 1.00 98.06 C ATOM 521 C ALA A 69 14.084 -5.576 3.720 1.00 98.06 C ATOM 522 CB ALA A 69 16.149 -6.139 2.348 1.00 98.06 C ATOM 523 O ALA A 69 13.088 -6.294 3.650 1.00 98.06 O ATOM 524 N GLU A 70 14.464 -4.985 4.852 1.00 98.38 N ATOM 525 CA GLU A 70 13.791 -5.114 6.146 1.00 98.38 C ATOM 526 C GLU A 70 12.412 -4.448 6.129 1.00 98.38 C ATOM 527 CB GLU A 70 14.631 -4.494 7.280 1.00 98.38 C ATOM 528 O GLU A 70 11.445 -5.020 6.636 1.00 98.38 O ATOM 529 CG GLU A 70 16.058 -5.052 7.431 1.00 98.38 C ATOM 530 CD GLU A 70 17.025 -4.605 6.321 1.00 98.38 C ATOM 531 OE1 GLU A 70 18.012 -5.331 6.087 1.00 98.38 O ATOM 532 OE2 GLU A 70 16.729 -3.586 5.640 1.00 98.38 O ATOM 533 N GLU A 71 12.282 -3.273 5.504 1.00 98.44 N ATOM 534 CA GLU A 71 10.989 -2.608 5.323 1.00 98.44 C ATOM 535 C GLU A 71 10.044 -3.473 4.473 1.00 98.44 C ATOM 536 CB GLU A 71 11.180 -1.221 4.685 1.00 98.44 C ATOM 537 O GLU A 71 8.913 -3.753 4.881 1.00 98.44 O ATOM 538 CG GLU A 71 11.691 -0.155 5.665 1.00 98.44 C ATOM 539 CD GLU A 71 11.751 1.219 4.977 1.00 98.44 C ATOM 540 OE1 GLU A 71 11.010 2.151 5.399 1.00 98.44 O ATOM 541 OE2 GLU A 71 12.487 1.319 3.971 1.00 98.44 O ATOM 542 N LEU A 72 10.515 -3.973 3.328 1.00 98.31 N ATOM 543 CA LEU A 72 9.742 -4.875 2.467 1.00 98.31 C ATOM 544 C LEU A 72 9.344 -6.166 3.202 1.00 98.31 C ATOM 545 CB LEU A 72 10.579 -5.204 1.220 1.00 98.31 C ATOM 546 O LEU A 72 8.191 -6.602 3.126 1.00 98.31 O ATOM 547 CG LEU A 72 10.809 -4.015 0.270 1.00 98.31 C ATOM 548 CD1 LEU A 72 11.849 -4.412 -0.780 1.00 98.31 C ATOM 549 CD2 LEU A 72 9.516 -3.582 -0.422 1.00 98.31 C ATOM 550 N ALA A 73 10.273 -6.756 3.960 1.00 97.69 N ATOM 551 CA ALA A 73 10.028 -7.929 4.798 1.00 97.69 C ATOM 552 C ALA A 73 9.025 -7.646 5.927 1.00 97.69 C ATOM 553 CB ALA A 73 11.365 -8.420 5.359 1.00 97.69 C ATOM 554 O ALA A 73 8.253 -8.535 6.289 1.00 97.69 O ATOM 555 N SER A 74 8.947 -6.403 6.401 1.00 97.75 N ATOM 556 CA SER A 74 7.994 -5.946 7.420 1.00 97.75 C ATOM 557 C SER A 74 6.625 -5.544 6.856 1.00 97.75 C ATOM 558 CB SER A 74 8.599 -4.791 8.220 1.00 97.75 C ATOM 559 O SER A 74 5.738 -5.168 7.624 1.00 97.75 O ATOM 560 OG SER A 74 9.804 -5.207 8.823 1.00 97.75 O ATOM 561 N GLY A 75 6.428 -5.639 5.536 1.00 98.06 N ATOM 562 CA GLY A 75 5.155 -5.364 4.864 1.00 98.06 C ATOM 563 C GLY A 75 5.015 -3.952 4.305 1.00 98.06 C ATOM 564 O GLY A 75 3.935 -3.606 3.826 1.00 98.06 O ATOM 565 N TYR A 76 6.073 -3.139 4.330 1.00 98.75 N ATOM 566 CA TYR A 76 6.048 -1.844 3.660 1.00 98.75 C ATOM 567 C TYR A 76 6.020 -2.007 2.143 1.00 98.75 C ATOM 568 CB TYR A 76 7.209 -0.951 4.091 1.00 98.75 C ATOM 569 O TYR A 76 6.678 -2.878 1.573 1.00 98.75 O ATOM 570 CG TYR A 76 7.067 -0.424 5.501 1.00 98.75 C ATOM 571 CD1 TYR A 76 6.307 0.739 5.729 1.00 98.75 C ATOM 572 CD2 TYR A 76 7.672 -1.092 6.581 1.00 98.75 C ATOM 573 CE1 TYR A 76 6.177 1.248 7.034 1.00 98.75 C ATOM 574 CE2 TYR A 76 7.543 -0.590 7.889 1.00 98.75 C ATOM 575 OH TYR A 76 6.674 1.090 9.366 1.00 98.75 O ATOM 576 CZ TYR A 76 6.800 0.589 8.113 1.00 98.75 C ATOM 577 N ARG A 77 5.253 -1.137 1.494 1.00 98.75 N ATOM 578 CA ARG A 77 5.044 -1.067 0.050 1.00 98.75 C ATOM 579 C ARG A 77 4.956 0.388 -0.391 1.00 98.75 C ATOM 580 CB ARG A 77 3.747 -1.807 -0.314 1.00 98.75 C ATOM 581 O ARG A 77 4.728 1.290 0.415 1.00 98.75 O ATOM 582 CG ARG A 77 3.735 -3.321 -0.042 1.00 98.75 C ATOM 583 CD ARG A 77 4.813 -4.103 -0.807 1.00 98.75 C ATOM 584 NE ARG A 77 4.680 -3.960 -2.269 1.00 98.75 N ATOM 585 NH1 ARG A 77 3.388 -5.811 -2.735 1.00 98.75 N ATOM 586 NH2 ARG A 77 4.130 -4.560 -4.389 1.00 98.75 N ATOM 587 CZ ARG A 77 4.062 -4.768 -3.110 1.00 98.75 C ATOM 588 N MET A 78 5.088 0.630 -1.691 1.00 98.69 N ATOM 589 CA MET A 78 4.650 1.898 -2.273 1.00 98.69 C ATOM 590 C MET A 78 3.254 1.711 -2.861 1.00 98.69 C ATOM 591 CB MET A 78 5.628 2.392 -3.340 1.00 98.69 C ATOM 592 O MET A 78 3.100 1.012 -3.864 1.00 98.69 O ATOM 593 CG MET A 78 7.046 2.631 -2.813 1.00 98.69 C ATOM 594 SD MET A 78 8.175 3.279 -4.078 1.00 98.69 S ATOM 595 CE MET A 78 7.473 4.920 -4.348 1.00 98.69 C ATOM 596 N ALA A 79 2.241 2.388 -2.315 1.00 98.75 N ATOM 597 CA ALA A 79 0.850 2.222 -2.748 1.00 98.75 C ATOM 598 C ALA A 79 0.652 2.434 -4.258 1.00 98.75 C ATOM 599 CB ALA A 79 -0.027 3.194 -1.956 1.00 98.75 C ATOM 600 O ALA A 79 -0.119 1.725 -4.897 1.00 98.75 O ATOM 601 N CYS A 80 1.392 3.369 -4.870 1.00 98.69 N ATOM 602 CA CYS A 80 1.316 3.601 -6.316 1.00 98.69 C ATOM 603 C CYS A 80 1.844 2.441 -7.167 1.00 98.69 C ATOM 604 CB CYS A 80 2.033 4.906 -6.681 1.00 98.69 C ATOM 605 O CYS A 80 1.505 2.352 -8.344 1.00 98.69 O ATOM 606 SG CYS A 80 3.840 4.797 -6.538 1.00 98.69 S ATOM 607 N GLN A 81 2.687 1.581 -6.600 1.00 98.75 N ATOM 608 CA GLN A 81 3.263 0.414 -7.261 1.00 98.75 C ATOM 609 C GLN A 81 2.601 -0.893 -6.820 1.00 98.75 C ATOM 610 CB GLN A 81 4.783 0.365 -7.013 1.00 98.75 C ATOM 611 O GLN A 81 3.004 -1.935 -7.316 1.00 98.75 O ATOM 612 CG GLN A 81 5.560 1.583 -7.533 1.00 98.75 C ATOM 613 CD GLN A 81 5.259 1.890 -8.997 1.00 98.75 C ATOM 614 NE2 GLN A 81 4.452 2.885 -9.292 1.00 98.75 N ATOM 615 OE1 GLN A 81 5.733 1.235 -9.910 1.00 98.75 O ATOM 616 N THR A 82 1.600 -0.858 -5.939 1.00 98.75 N ATOM 617 CA THR A 82 0.989 -2.063 -5.363 1.00 98.75 C ATOM 618 C THR A 82 -0.368 -2.330 -5.997 1.00 98.75 C ATOM 619 CB THR A 82 0.850 -1.916 -3.846 1.00 98.75 C ATOM 620 O THR A 82 -1.224 -1.440 -6.023 1.00 98.75 O ATOM 621 CG2 THR A 82 0.390 -3.202 -3.168 1.00 98.75 C ATOM 622 OG1 THR A 82 2.104 -1.599 -3.297 1.00 98.75 O ATOM 623 N PHE A 83 -0.569 -3.548 -6.491 1.00 98.62 N ATOM 624 CA PHE A 83 -1.863 -4.020 -6.983 1.00 98.62 C ATOM 625 C PHE A 83 -2.443 -5.065 -6.031 1.00 98.62 C ATOM 626 CB PHE A 83 -1.755 -4.538 -8.420 1.00 98.62 C ATOM 627 O PHE A 83 -1.724 -5.933 -5.536 1.00 98.62 O ATOM 628 CG PHE A 83 -1.530 -3.450 -9.454 1.00 98.62 C ATOM 629 CD1 PHE A 83 -2.587 -3.070 -10.296 1.00 98.62 C ATOM 630 CD2 PHE A 83 -0.279 -2.821 -9.592 1.00 98.62 C ATOM 631 CE1 PHE A 83 -2.407 -2.078 -11.272 1.00 98.62 C ATOM 632 CE2 PHE A 83 -0.093 -1.819 -10.563 1.00 98.62 C ATOM 633 CZ PHE A 83 -1.157 -1.450 -11.407 1.00 98.62 C ATOM 634 N ILE A 84 -3.745 -4.954 -5.769 1.00 98.38 N ATOM 635 CA ILE A 84 -4.470 -5.758 -4.783 1.00 98.38 C ATOM 636 C ILE A 84 -5.230 -6.886 -5.484 1.00 98.38 C ATOM 637 CB ILE A 84 -5.408 -4.850 -3.957 1.00 98.38 C ATOM 638 O ILE A 84 -6.037 -6.630 -6.375 1.00 98.38 O ATOM 639 CG1 ILE A 84 -4.686 -3.657 -3.287 1.00 98.38 C ATOM 640 CG2 ILE A 84 -6.136 -5.674 -2.892 1.00 98.38 C ATOM 641 CD1 ILE A 84 -3.465 -4.030 -2.435 1.00 98.38 C ATOM 642 N LYS A 85 -4.979 -8.130 -5.075 1.00 97.81 N ATOM 643 CA LYS A 85 -5.557 -9.373 -5.619 1.00 97.81 C ATOM 644 C LYS A 85 -6.537 -10.067 -4.660 1.00 97.81 C ATOM 645 CB LYS A 85 -4.423 -10.344 -5.983 1.00 97.81 C ATOM 646 O LYS A 85 -7.166 -11.041 -5.042 1.00 97.81 O ATOM 647 CG LYS A 85 -3.439 -9.796 -7.029 1.00 97.81 C ATOM 648 CD LYS A 85 -2.369 -10.856 -7.313 1.00 97.81 C ATOM 649 CE LYS A 85 -1.351 -10.352 -8.338 1.00 97.81 C ATOM 650 NZ LYS A 85 -0.287 -11.364 -8.552 1.00 97.81 N ATOM 651 N GLY A 86 -6.660 -9.576 -3.432 1.00 98.12 N ATOM 652 CA GLY A 86 -7.518 -10.115 -2.373 1.00 98.12 C ATOM 653 C GLY A 86 -7.684 -9.091 -1.250 1.00 98.12 C ATOM 654 O GLY A 86 -7.222 -7.959 -1.378 1.00 98.12 O ATOM 655 N ASN A 87 -8.345 -9.461 -0.156 1.00 98.62 N ATOM 656 CA ASN A 87 -8.629 -8.509 0.921 1.00 98.62 C ATOM 657 C ASN A 87 -7.349 -8.076 1.644 1.00 98.62 C ATOM 658 CB ASN A 87 -9.659 -9.095 1.897 1.00 98.62 C ATOM 659 O ASN A 87 -6.500 -8.917 1.950 1.00 98.62 O ATOM 660 CG ASN A 87 -11.011 -9.344 1.257 1.00 98.62 C ATOM 661 ND2 ASN A 87 -11.888 -10.041 1.936 1.00 98.62 N ATOM 662 OD1 ASN A 87 -11.302 -8.921 0.149 1.00 98.62 O ATOM 663 N VAL A 88 -7.234 -6.779 1.939 1.00 98.75 N ATOM 664 CA VAL A 88 -6.074 -6.198 2.631 1.00 98.75 C ATOM 665 C VAL A 88 -6.479 -5.135 3.644 1.00 98.75 C ATOM 666 CB VAL A 88 -5.035 -5.604 1.655 1.00 98.75 C ATOM 667 O VAL A 88 -7.466 -4.420 3.461 1.00 98.75 O ATOM 668 CG1 VAL A 88 -4.449 -6.668 0.727 1.00 98.75 C ATOM 669 CG2 VAL A 88 -5.594 -4.465 0.794 1.00 98.75 C ATOM 670 N SER A 89 -5.652 -4.967 4.674 1.00 98.81 N ATOM 671 CA SER A 89 -5.675 -3.787 5.538 1.00 98.81 C ATOM 672 C SER A 89 -4.337 -3.060 5.458 1.00 98.81 C ATOM 673 CB SER A 89 -6.074 -4.143 6.969 1.00 98.81 C ATOM 674 O SER A 89 -3.270 -3.679 5.429 1.00 98.81 O ATOM 675 OG SER A 89 -5.079 -4.927 7.589 1.00 98.81 O ATOM 676 N VAL A 90 -4.392 -1.733 5.354 1.00 98.81 N ATOM 677 CA VAL A 90 -3.210 -0.898 5.131 1.00 98.81 C ATOM 678 C VAL A 90 -3.164 0.285 6.088 1.00 98.81 C ATOM 679 CB VAL A 90 -3.071 -0.445 3.662 1.00 98.81 C ATOM 680 O VAL A 90 -4.186 0.909 6.378 1.00 98.81 O ATOM 681 CG1 VAL A 90 -2.988 -1.641 2.702 1.00 98.81 C ATOM 682 CG2 VAL A 90 -4.214 0.465 3.189 1.00 98.81 C ATOM 683 N SER A 91 -1.959 0.608 6.538 1.00 98.75 N ATOM 684 CA SER A 91 -1.607 1.800 7.311 1.00 98.75 C ATOM 685 C SER A 91 -0.533 2.597 6.560 1.00 98.75 C ATOM 686 CB SER A 91 -1.133 1.385 8.711 1.00 98.75 C ATOM 687 O SER A 91 0.046 2.116 5.581 1.00 98.75 O ATOM 688 OG SER A 91 0.079 0.672 8.588 1.00 98.75 O ATOM 689 N TRP A 92 -0.291 3.840 6.959 1.00 97.81 N ATOM 690 CA TRP A 92 0.777 4.700 6.440 1.00 97.81 C ATOM 691 C TRP A 92 1.172 5.736 7.483 1.00 97.81 C ATOM 692 CB TRP A 92 0.345 5.386 5.137 1.00 97.81 C ATOM 693 O TRP A 92 0.302 6.061 8.330 1.00 97.81 O ATOM 694 CG TRP A 92 -0.852 6.268 5.278 1.00 97.81 C ATOM 695 CD1 TRP A 92 -0.838 7.546 5.714 1.00 97.81 C ATOM 696 CD2 TRP A 92 -2.254 5.903 5.166 1.00 97.81 C ATOM 697 CE2 TRP A 92 -3.042 7.057 5.451 1.00 97.81 C ATOM 698 CE3 TRP A 92 -2.933 4.690 4.928 1.00 97.81 C ATOM 699 NE1 TRP A 92 -2.129 8.033 5.773 1.00 97.81 N ATOM 700 CH2 TRP A 92 -5.079 5.791 5.249 1.00 97.81 C ATOM 701 CZ2 TRP A 92 -4.440 7.020 5.462 1.00 97.81 C ATOM 702 CZ3 TRP A 92 -4.335 4.629 4.985 1.00 97.81 C ATOM 703 OXT TRP A 92 2.335 6.176 7.375 1.00 97.81 O TER 704 TRP A 92 ENDMDL END