Browse entries in the PDBbind-CN Database
HEADER 2ROK_COMPLEX COMPND 2ROK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 GLY SER SER GLY SER SER GLY GLY PRO ASP LEU GLN PRO SEQRES 2 A 100 LYS ARG ASP HIS VAL LEU HIS VAL THR PHE PRO LYS GLU SEQRES 3 A 100 TRP LYS THR SER ASP LEU TYR GLN LEU PHE SER ALA PHE SEQRES 4 A 100 GLY ASN ILE GLN ILE SER TRP ILE ASP ASP THR SER ALA SEQRES 5 A 100 PHE VAL SER LEU SER GLN PRO GLU GLN VAL GLN ILE ALA SEQRES 6 A 100 VAL ASN THR SER LYS TYR ALA GLU SER TYR ARG ILE GLN SEQRES 7 A 100 THR TYR ALA GLU TYR VAL GLY LYS LYS GLN LYS GLY LYS SEQRES 8 A 100 GLN VAL LYS SER GLY PRO SER SER GLY HET UNN A 101 82 ATOM 1 N GLY A 423 -12.199 -16.664 -12.006 1.00 0.00 N ATOM 2 CA GLY A 423 -11.981 -17.153 -10.628 1.00 0.00 C ATOM 3 C GLY A 423 -12.704 -18.468 -10.395 1.00 0.00 C ATOM 4 O GLY A 423 -12.662 -19.365 -11.241 1.00 0.00 O ATOM 5 HA3 GLY A 423 -12.355 -16.411 -9.923 1.00 0.00 H ATOM 6 HA2 GLY A 423 -10.913 -17.300 -10.467 1.00 0.00 H ATOM 7 HN3 GLY A 423 -13.217 -16.518 -12.164 1.00 0.00 H ATOM 8 HN2 GLY A 423 -11.839 -17.367 -12.683 1.00 0.00 H ATOM 9 HN1 GLY A 423 -11.694 -15.764 -12.137 1.00 0.00 H ATOM 10 N SER A 424 -13.420 -18.583 -9.270 1.00 0.00 N ATOM 11 CA SER A 424 -14.225 -19.765 -8.882 1.00 0.00 C ATOM 12 C SER A 424 -15.291 -20.182 -9.914 1.00 0.00 C ATOM 13 O SER A 424 -15.777 -21.315 -9.886 1.00 0.00 O ATOM 14 CB SER A 424 -14.908 -19.512 -7.530 1.00 0.00 C ATOM 15 OG SER A 424 -13.966 -19.101 -6.546 1.00 0.00 O ATOM 16 HA SER A 424 -13.517 -20.591 -8.821 1.00 0.00 H ATOM 17 HB2 SER A 424 -15.391 -20.431 -7.198 1.00 0.00 H ATOM 18 HB3 SER A 424 -15.659 -18.731 -7.651 1.00 0.00 H ATOM 19 HG SER A 424 -14.434 -18.946 -5.687 1.00 0.00 H ATOM 20 H SER A 424 -13.411 -17.776 -8.614 1.00 0.00 H ATOM 21 N SER A 425 -15.629 -19.289 -10.850 1.00 0.00 N ATOM 22 CA SER A 425 -16.444 -19.541 -12.047 1.00 0.00 C ATOM 23 C SER A 425 -15.894 -20.637 -12.980 1.00 0.00 C ATOM 24 O SER A 425 -16.678 -21.253 -13.708 1.00 0.00 O ATOM 25 CB SER A 425 -16.592 -18.229 -12.830 1.00 0.00 C ATOM 26 OG SER A 425 -15.322 -17.618 -13.051 1.00 0.00 O ATOM 27 HA SER A 425 -17.405 -19.912 -11.692 1.00 0.00 H ATOM 28 HB2 SER A 425 -17.223 -17.545 -12.263 1.00 0.00 H ATOM 29 HB3 SER A 425 -17.059 -18.439 -13.792 1.00 0.00 H ATOM 30 HG SER A 425 -15.446 -16.776 -13.557 1.00 0.00 H ATOM 31 H SER A 425 -15.280 -18.318 -10.718 1.00 0.00 H ATOM 32 N GLY A 426 -14.581 -20.917 -12.953 1.00 0.00 N ATOM 33 CA GLY A 426 -13.981 -22.074 -13.640 1.00 0.00 C ATOM 34 C GLY A 426 -12.527 -21.936 -14.124 1.00 0.00 C ATOM 35 O GLY A 426 -12.033 -22.860 -14.776 1.00 0.00 O ATOM 36 HA3 GLY A 426 -14.597 -22.292 -14.513 1.00 0.00 H ATOM 37 HA2 GLY A 426 -14.018 -22.918 -12.951 1.00 0.00 H ATOM 38 H GLY A 426 -13.954 -20.283 -12.418 1.00 0.00 H ATOM 39 N SER A 427 -11.834 -20.819 -13.860 1.00 0.00 N ATOM 40 CA SER A 427 -10.457 -20.581 -14.337 1.00 0.00 C ATOM 41 C SER A 427 -9.685 -19.575 -13.471 1.00 0.00 C ATOM 42 O SER A 427 -10.261 -18.633 -12.922 1.00 0.00 O ATOM 43 CB SER A 427 -10.495 -20.065 -15.784 1.00 0.00 C ATOM 44 OG SER A 427 -9.183 -19.963 -16.321 1.00 0.00 O ATOM 45 HA SER A 427 -9.934 -21.535 -14.274 1.00 0.00 H ATOM 46 HB2 SER A 427 -10.965 -19.082 -15.800 1.00 0.00 H ATOM 47 HB3 SER A 427 -11.078 -20.755 -16.394 1.00 0.00 H ATOM 48 HG SER A 427 -9.234 -19.629 -17.252 1.00 0.00 H ATOM 49 H SER A 427 -12.291 -20.080 -13.288 1.00 0.00 H ATOM 50 N SER A 428 -8.362 -19.744 -13.404 1.00 0.00 N ATOM 51 CA SER A 428 -7.410 -18.909 -12.650 1.00 0.00 C ATOM 52 C SER A 428 -6.337 -18.244 -13.534 1.00 0.00 C ATOM 53 O SER A 428 -5.488 -17.504 -13.029 1.00 0.00 O ATOM 54 CB SER A 428 -6.750 -19.766 -11.561 1.00 0.00 C ATOM 55 OG SER A 428 -6.073 -20.874 -12.142 1.00 0.00 O ATOM 56 HA SER A 428 -7.977 -18.090 -12.206 1.00 0.00 H ATOM 57 HB2 SER A 428 -7.517 -20.132 -10.878 1.00 0.00 H ATOM 58 HB3 SER A 428 -6.034 -19.157 -11.009 1.00 0.00 H ATOM 59 HG SER A 428 -5.654 -21.415 -11.427 1.00 0.00 H ATOM 60 H SER A 428 -7.964 -20.544 -13.937 1.00 0.00 H ATOM 61 N GLY A 429 -6.369 -18.487 -14.852 1.00 0.00 N ATOM 62 CA GLY A 429 -5.475 -17.896 -15.860 1.00 0.00 C ATOM 63 C GLY A 429 -4.454 -18.880 -16.450 1.00 0.00 C ATOM 64 O GLY A 429 -4.072 -18.743 -17.616 1.00 0.00 O ATOM 65 HA3 GLY A 429 -4.930 -17.075 -15.394 1.00 0.00 H ATOM 66 HA2 GLY A 429 -6.087 -17.508 -16.675 1.00 0.00 H ATOM 67 H GLY A 429 -7.091 -19.153 -15.193 1.00 0.00 H ATOM 68 N GLY A 430 -4.036 -19.889 -15.679 1.00 0.00 N ATOM 69 CA GLY A 430 -3.102 -20.939 -16.109 1.00 0.00 C ATOM 70 C GLY A 430 -2.497 -21.758 -14.953 1.00 0.00 C ATOM 71 O GLY A 430 -2.736 -21.445 -13.780 1.00 0.00 O ATOM 72 HA3 GLY A 430 -2.287 -20.468 -16.658 1.00 0.00 H ATOM 73 HA2 GLY A 430 -3.636 -21.622 -16.770 1.00 0.00 H ATOM 74 H GLY A 430 -4.398 -19.934 -14.705 1.00 0.00 H ATOM 75 N PRO A 431 -1.708 -22.808 -15.261 1.00 0.00 N ATOM 76 CA PRO A 431 -1.052 -23.670 -14.268 1.00 0.00 C ATOM 77 C PRO A 431 0.203 -23.043 -13.622 1.00 0.00 C ATOM 78 O PRO A 431 0.747 -23.594 -12.662 1.00 0.00 O ATOM 79 CB PRO A 431 -0.691 -24.940 -15.047 1.00 0.00 C ATOM 80 CG PRO A 431 -0.407 -24.416 -16.454 1.00 0.00 C ATOM 81 CD PRO A 431 -1.426 -23.287 -16.609 1.00 0.00 C ATOM 82 HA PRO A 431 -1.716 -23.851 -13.423 1.00 0.00 H ATOM 83 HD3 PRO A 431 -1.011 -22.483 -17.217 1.00 0.00 H ATOM 84 HD2 PRO A 431 -2.337 -23.661 -17.076 1.00 0.00 H ATOM 85 HG3 PRO A 431 -0.565 -25.193 -17.202 1.00 0.00 H ATOM 86 HG2 PRO A 431 0.612 -24.039 -16.534 1.00 0.00 H ATOM 87 HB2 PRO A 431 0.190 -25.422 -14.623 1.00 0.00 H ATOM 88 HB3 PRO A 431 -1.522 -25.645 -15.052 1.00 0.00 H ATOM 89 N ASP A 432 0.684 -21.913 -14.148 1.00 0.00 N ATOM 90 CA ASP A 432 1.832 -21.148 -13.640 1.00 0.00 C ATOM 91 C ASP A 432 1.611 -20.527 -12.239 1.00 0.00 C ATOM 92 O ASP A 432 0.493 -20.494 -11.713 1.00 0.00 O ATOM 93 CB ASP A 432 2.207 -20.076 -14.675 1.00 0.00 C ATOM 94 CG ASP A 432 1.131 -18.988 -14.812 1.00 0.00 C ATOM 95 OD1 ASP A 432 0.133 -19.209 -15.539 1.00 0.00 O ATOM 96 OD2 ASP A 432 1.302 -17.901 -14.210 1.00 0.00 O ATOM 97 HA ASP A 432 2.655 -21.849 -13.502 1.00 0.00 H ATOM 98 HB2 ASP A 432 3.142 -19.607 -14.369 1.00 0.00 H ATOM 99 HB3 ASP A 432 2.343 -20.557 -15.643 1.00 0.00 H ATOM 100 H ASP A 432 0.203 -21.541 -14.992 1.00 0.00 H ATOM 101 N LEU A 433 2.693 -20.012 -11.641 1.00 0.00 N ATOM 102 CA LEU A 433 2.767 -19.564 -10.238 1.00 0.00 C ATOM 103 C LEU A 433 3.221 -18.091 -10.102 1.00 0.00 C ATOM 104 O LEU A 433 3.794 -17.694 -9.082 1.00 0.00 O ATOM 105 CB LEU A 433 3.676 -20.539 -9.452 1.00 0.00 C ATOM 106 CG LEU A 433 3.212 -22.010 -9.418 1.00 0.00 C ATOM 107 CD1 LEU A 433 4.255 -22.858 -8.688 1.00 0.00 C ATOM 108 CD2 LEU A 433 1.873 -22.187 -8.696 1.00 0.00 C ATOM 109 HA LEU A 433 1.765 -19.586 -9.809 1.00 0.00 H ATOM 110 HB2 LEU A 433 4.667 -20.511 -9.905 1.00 0.00 H ATOM 111 HB3 LEU A 433 3.738 -20.184 -8.423 1.00 0.00 H ATOM 112 HG LEU A 433 3.091 -22.327 -10.454 1.00 0.00 H ATOM 113 HD21 LEU A 433 1.968 -21.841 -7.667 1.00 0.00 H ATOM 114 HD22 LEU A 433 1.106 -21.605 -9.207 1.00 0.00 H ATOM 115 HD23 LEU A 433 1.595 -23.241 -8.702 1.00 0.00 H ATOM 116 HD11 LEU A 433 5.208 -22.789 -9.212 1.00 0.00 H ATOM 117 HD12 LEU A 433 4.372 -22.490 -7.669 1.00 0.00 H ATOM 118 HD13 LEU A 433 3.925 -23.897 -8.665 1.00 0.00 H ATOM 119 H LEU A 433 3.555 -19.920 -12.215 1.00 0.00 H ATOM 120 N GLN A 434 2.992 -17.273 -11.136 1.00 0.00 N ATOM 121 CA GLN A 434 3.276 -15.828 -11.136 1.00 0.00 C ATOM 122 C GLN A 434 2.485 -15.060 -10.042 1.00 0.00 C ATOM 123 O GLN A 434 1.440 -15.547 -9.587 1.00 0.00 O ATOM 124 CB GLN A 434 2.956 -15.251 -12.527 1.00 0.00 C ATOM 125 CG GLN A 434 3.912 -15.765 -13.615 1.00 0.00 C ATOM 126 CD GLN A 434 3.534 -15.225 -14.992 1.00 0.00 C ATOM 127 OE1 GLN A 434 4.156 -14.318 -15.534 1.00 0.00 O ATOM 128 NE2 GLN A 434 2.497 -15.753 -15.607 1.00 0.00 N ATOM 129 HA GLN A 434 4.333 -15.698 -10.905 1.00 0.00 H ATOM 130 HB2 GLN A 434 1.938 -15.532 -12.796 1.00 0.00 H ATOM 131 HB3 GLN A 434 3.032 -14.165 -12.480 1.00 0.00 H ATOM 132 HG2 GLN A 434 4.926 -15.446 -13.375 1.00 0.00 H ATOM 133 HG3 GLN A 434 3.871 -16.854 -13.638 1.00 0.00 H ATOM 134 HE22 GLN A 434 1.962 -16.523 -15.157 1.00 0.00 H ATOM 135 HE21 GLN A 434 2.213 -15.400 -16.543 1.00 0.00 H ATOM 136 H GLN A 434 2.585 -17.686 -11.999 1.00 0.00 H ATOM 137 N PRO A 435 2.941 -13.857 -9.622 1.00 0.00 N ATOM 138 CA PRO A 435 2.232 -12.991 -8.670 1.00 0.00 C ATOM 139 C PRO A 435 0.757 -12.703 -9.011 1.00 0.00 C ATOM 140 O PRO A 435 0.344 -12.736 -10.175 1.00 0.00 O ATOM 141 CB PRO A 435 3.038 -11.687 -8.619 1.00 0.00 C ATOM 142 CG PRO A 435 4.454 -12.133 -8.968 1.00 0.00 C ATOM 143 CD PRO A 435 4.218 -13.249 -9.983 1.00 0.00 C ATOM 144 HA PRO A 435 2.174 -13.505 -7.710 1.00 0.00 H ATOM 145 HD3 PRO A 435 4.171 -12.840 -10.992 1.00 0.00 H ATOM 146 HD2 PRO A 435 5.018 -13.987 -9.928 1.00 0.00 H ATOM 147 HG3 PRO A 435 4.976 -12.507 -8.087 1.00 0.00 H ATOM 148 HG2 PRO A 435 5.026 -11.316 -9.408 1.00 0.00 H ATOM 149 HB2 PRO A 435 2.664 -10.968 -9.348 1.00 0.00 H ATOM 150 HB3 PRO A 435 3.002 -11.245 -7.623 1.00 0.00 H ATOM 151 N LYS A 436 -0.021 -12.344 -7.979 1.00 0.00 N ATOM 152 CA LYS A 436 -1.480 -12.093 -8.034 1.00 0.00 C ATOM 153 C LYS A 436 -1.910 -10.775 -7.363 1.00 0.00 C ATOM 154 O LYS A 436 -3.069 -10.616 -6.972 1.00 0.00 O ATOM 155 CB LYS A 436 -2.228 -13.329 -7.489 1.00 0.00 C ATOM 156 CG LYS A 436 -1.959 -13.628 -6.002 1.00 0.00 C ATOM 157 CD LYS A 436 -2.771 -14.848 -5.538 1.00 0.00 C ATOM 158 CE LYS A 436 -2.577 -15.156 -4.046 1.00 0.00 C ATOM 159 NZ LYS A 436 -1.221 -15.689 -3.746 1.00 0.00 N ATOM 160 HA LYS A 436 -1.760 -11.949 -9.078 1.00 0.00 H ATOM 161 HB2 LYS A 436 -3.298 -13.164 -7.616 1.00 0.00 H ATOM 162 HB3 LYS A 436 -1.923 -14.198 -8.073 1.00 0.00 H ATOM 163 HG2 LYS A 436 -0.897 -13.831 -5.864 1.00 0.00 H ATOM 164 HG3 LYS A 436 -2.243 -12.761 -5.405 1.00 0.00 H ATOM 165 HD2 LYS A 436 -3.828 -14.653 -5.720 1.00 0.00 H ATOM 166 HD3 LYS A 436 -2.458 -15.717 -6.117 1.00 0.00 H ATOM 167 HE2 LYS A 436 -3.318 -15.895 -3.742 1.00 0.00 H ATOM 168 HE3 LYS A 436 -2.726 -14.238 -3.477 1.00 0.00 H ATOM 169 HZ1 LYS A 436 -1.071 -16.570 -4.278 1.00 0.00 H ATOM 170 HZ2 LYS A 436 -0.505 -14.988 -4.025 1.00 0.00 H ATOM 171 HZ3 LYS A 436 -1.143 -15.880 -2.727 1.00 0.00 H ATOM 172 H LYS A 436 0.443 -12.231 -7.055 1.00 0.00 H ATOM 173 N ARG A 437 -0.966 -9.841 -7.191 1.00 0.00 N ATOM 174 CA ARG A 437 -1.102 -8.550 -6.474 1.00 0.00 C ATOM 175 C ARG A 437 -0.583 -7.354 -7.296 1.00 0.00 C ATOM 176 O ARG A 437 -0.349 -6.277 -6.755 1.00 0.00 O ATOM 177 CB ARG A 437 -0.371 -8.643 -5.115 1.00 0.00 C ATOM 178 CG ARG A 437 -0.882 -9.692 -4.109 1.00 0.00 C ATOM 179 CD ARG A 437 -2.226 -9.344 -3.451 1.00 0.00 C ATOM 180 NE ARG A 437 -3.370 -9.694 -4.311 1.00 0.00 N ATOM 181 CZ ARG A 437 -4.650 -9.668 -4.000 1.00 0.00 C ATOM 182 NH1 ARG A 437 -5.083 -9.219 -2.856 1.00 0.00 N ATOM 183 NH2 ARG A 437 -5.523 -10.112 -4.855 1.00 0.00 N ATOM 184 HA ARG A 437 -2.164 -8.368 -6.312 1.00 0.00 H ATOM 185 HB2 ARG A 437 0.676 -8.868 -5.320 1.00 0.00 H ATOM 186 HB3 ARG A 437 -0.444 -7.667 -4.636 1.00 0.00 H ATOM 187 HG2 ARG A 437 -0.995 -10.640 -4.634 1.00 0.00 H ATOM 188 HG3 ARG A 437 -0.136 -9.801 -3.322 1.00 0.00 H ATOM 189 HD2 ARG A 437 -2.252 -8.273 -3.249 1.00 0.00 H ATOM 190 HD3 ARG A 437 -2.311 -9.892 -2.512 1.00 0.00 H ATOM 191 HE ARG A 437 -3.140 -9.998 -5.279 1.00 0.00 H ATOM 192 HH12 ARG A 437 -6.103 -9.216 -2.651 1.00 0.00 H ATOM 193 HH11 ARG A 437 -4.409 -8.863 -2.148 1.00 0.00 H ATOM 194 HH22 ARG A 437 -6.536 -10.096 -4.620 1.00 0.00 H ATOM 195 HH21 ARG A 437 -5.208 -10.483 -5.774 1.00 0.00 H ATOM 196 H ARG A 437 -0.034 -10.043 -7.606 1.00 0.00 H ATOM 197 N ASP A 438 -0.399 -7.521 -8.607 1.00 0.00 N ATOM 198 CA ASP A 438 0.102 -6.476 -9.523 1.00 0.00 C ATOM 199 C ASP A 438 -0.820 -5.235 -9.624 1.00 0.00 C ATOM 200 O ASP A 438 -0.383 -4.149 -10.007 1.00 0.00 O ATOM 201 CB ASP A 438 0.330 -7.117 -10.900 1.00 0.00 C ATOM 202 CG ASP A 438 1.117 -6.211 -11.862 1.00 0.00 C ATOM 203 OD1 ASP A 438 2.268 -5.831 -11.533 1.00 0.00 O ATOM 204 OD2 ASP A 438 0.612 -5.923 -12.973 1.00 0.00 O ATOM 205 HA ASP A 438 1.037 -6.091 -9.116 1.00 0.00 H ATOM 206 HB2 ASP A 438 0.885 -8.045 -10.764 1.00 0.00 H ATOM 207 HB3 ASP A 438 -0.640 -7.338 -11.346 1.00 0.00 H ATOM 208 H ASP A 438 -0.624 -8.452 -9.012 1.00 0.00 H ATOM 209 N HIS A 439 -2.089 -5.384 -9.227 1.00 0.00 N ATOM 210 CA HIS A 439 -3.116 -4.336 -9.123 1.00 0.00 C ATOM 211 C HIS A 439 -3.274 -3.765 -7.692 1.00 0.00 C ATOM 212 O HIS A 439 -4.238 -3.049 -7.411 1.00 0.00 O ATOM 213 CB HIS A 439 -4.436 -4.926 -9.640 1.00 0.00 C ATOM 214 CG HIS A 439 -4.945 -6.071 -8.796 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.462 -7.384 -8.840 1.00 0.00 N ATOM 216 CD2 HIS A 439 -5.906 -5.987 -7.833 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.159 -8.062 -7.913 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.029 -7.247 -7.291 1.00 0.00 N ATOM 219 HA HIS A 439 -2.807 -3.483 -9.728 1.00 0.00 H ATOM 220 HB2 HIS A 439 -5.189 -4.138 -9.647 1.00 0.00 H ATOM 221 HB3 HIS A 439 -4.280 -5.287 -10.657 1.00 0.00 H ATOM 222 HD2 HIS A 439 -6.467 -5.097 -7.548 1.00 0.00 H ATOM 223 HE1 HIS A 439 -5.037 -9.123 -7.696 1.00 0.00 H ATOM 224 H HIS A 439 -2.381 -6.346 -8.963 1.00 0.00 H ATOM 225 N VAL A 440 -2.338 -4.066 -6.781 1.00 0.00 N ATOM 226 CA VAL A 440 -2.389 -3.696 -5.353 1.00 0.00 C ATOM 227 C VAL A 440 -1.183 -2.832 -4.966 1.00 0.00 C ATOM 228 O VAL A 440 -0.052 -3.040 -5.416 1.00 0.00 O ATOM 229 CB VAL A 440 -2.487 -4.951 -4.452 1.00 0.00 C ATOM 230 CG1 VAL A 440 -2.634 -4.613 -2.959 1.00 0.00 C ATOM 231 CG2 VAL A 440 -3.691 -5.822 -4.839 1.00 0.00 C ATOM 232 HA VAL A 440 -3.290 -3.104 -5.195 1.00 0.00 H ATOM 233 HB VAL A 440 -1.549 -5.483 -4.609 1.00 0.00 H ATOM 234 HG11 VAL A 440 -1.768 -4.038 -2.631 1.00 0.00 H ATOM 235 HG12 VAL A 440 -3.540 -4.026 -2.808 1.00 0.00 H ATOM 236 HG13 VAL A 440 -2.697 -5.536 -2.383 1.00 0.00 H ATOM 237 HG21 VAL A 440 -4.608 -5.242 -4.729 1.00 0.00 H ATOM 238 HG22 VAL A 440 -3.586 -6.145 -5.875 1.00 0.00 H ATOM 239 HG23 VAL A 440 -3.731 -6.695 -4.187 1.00 0.00 H ATOM 240 H VAL A 440 -1.509 -4.603 -7.106 1.00 0.00 H ATOM 241 N LEU A 441 -1.444 -1.861 -4.095 1.00 0.00 N ATOM 242 CA LEU A 441 -0.502 -0.892 -3.546 1.00 0.00 C ATOM 243 C LEU A 441 -0.295 -1.105 -2.045 1.00 0.00 C ATOM 244 O LEU A 441 -1.127 -1.699 -1.361 1.00 0.00 O ATOM 245 CB LEU A 441 -1.082 0.524 -3.732 1.00 0.00 C ATOM 246 CG LEU A 441 -1.245 0.988 -5.184 1.00 0.00 C ATOM 247 CD1 LEU A 441 -1.980 2.322 -5.201 1.00 0.00 C ATOM 248 CD2 LEU A 441 0.110 1.172 -5.862 1.00 0.00 C ATOM 249 HA LEU A 441 0.449 -1.015 -4.065 1.00 0.00 H ATOM 250 HB2 LEU A 441 -2.064 0.549 -3.259 1.00 0.00 H ATOM 251 HB3 LEU A 441 -0.419 1.227 -3.227 1.00 0.00 H ATOM 252 HG LEU A 441 -1.807 0.226 -5.724 1.00 0.00 H ATOM 253 HD21 LEU A 441 0.687 1.921 -5.320 1.00 0.00 H ATOM 254 HD22 LEU A 441 0.648 0.224 -5.858 1.00 0.00 H ATOM 255 HD23 LEU A 441 -0.041 1.501 -6.890 1.00 0.00 H ATOM 256 HD11 LEU A 441 -2.961 2.201 -4.742 1.00 0.00 H ATOM 257 HD12 LEU A 441 -1.404 3.060 -4.642 1.00 0.00 H ATOM 258 HD13 LEU A 441 -2.099 2.657 -6.231 1.00 0.00 H ATOM 259 H LEU A 441 -2.429 -1.784 -3.769 1.00 0.00 H ATOM 260 N HIS A 442 0.777 -0.513 -1.535 1.00 0.00 N ATOM 261 CA HIS A 442 1.090 -0.328 -0.123 1.00 0.00 C ATOM 262 C HIS A 442 1.277 1.176 0.113 1.00 0.00 C ATOM 263 O HIS A 442 1.860 1.879 -0.717 1.00 0.00 O ATOM 264 CB HIS A 442 2.347 -1.127 0.241 1.00 0.00 C ATOM 265 CG HIS A 442 2.841 -0.822 1.632 1.00 0.00 C ATOM 266 ND1 HIS A 442 3.792 0.151 1.953 1.00 0.00 N ATOM 267 CD2 HIS A 442 2.361 -1.371 2.785 1.00 0.00 C ATOM 268 CE1 HIS A 442 3.863 0.167 3.296 1.00 0.00 C ATOM 269 NE2 HIS A 442 3.024 -0.743 3.816 1.00 0.00 N ATOM 270 HA HIS A 442 0.286 -0.696 0.515 1.00 0.00 H ATOM 271 HB2 HIS A 442 2.117 -2.190 0.177 1.00 0.00 H ATOM 272 HB3 HIS A 442 3.135 -0.884 -0.472 1.00 0.00 H ATOM 273 HD2 HIS A 442 1.604 -2.151 2.873 1.00 0.00 H ATOM 274 HE1 HIS A 442 4.509 0.824 3.878 1.00 0.00 H ATOM 275 H HIS A 442 1.469 -0.141 -2.216 1.00 0.00 H ATOM 276 N VAL A 443 0.751 1.674 1.230 1.00 0.00 N ATOM 277 CA VAL A 443 0.631 3.106 1.534 1.00 0.00 C ATOM 278 C VAL A 443 1.123 3.355 2.955 1.00 0.00 C ATOM 279 O VAL A 443 0.787 2.594 3.864 1.00 0.00 O ATOM 280 CB VAL A 443 -0.833 3.579 1.405 1.00 0.00 C ATOM 281 CG1 VAL A 443 -0.937 5.110 1.398 1.00 0.00 C ATOM 282 CG2 VAL A 443 -1.513 3.083 0.124 1.00 0.00 C ATOM 283 HA VAL A 443 1.235 3.667 0.821 1.00 0.00 H ATOM 284 HB VAL A 443 -1.335 3.156 2.275 1.00 0.00 H ATOM 285 HG11 VAL A 443 -0.529 5.505 2.329 1.00 0.00 H ATOM 286 HG12 VAL A 443 -0.372 5.507 0.555 1.00 0.00 H ATOM 287 HG13 VAL A 443 -1.983 5.401 1.306 1.00 0.00 H ATOM 288 HG21 VAL A 443 -0.967 3.455 -0.743 1.00 0.00 H ATOM 289 HG22 VAL A 443 -1.515 1.993 0.114 1.00 0.00 H ATOM 290 HG23 VAL A 443 -2.539 3.450 0.093 1.00 0.00 H ATOM 291 H VAL A 443 0.399 1.000 1.939 1.00 0.00 H ATOM 292 N THR A 444 1.884 4.432 3.151 1.00 0.00 N ATOM 293 CA THR A 444 2.485 4.814 4.441 1.00 0.00 C ATOM 294 C THR A 444 2.123 6.262 4.771 1.00 0.00 C ATOM 295 O THR A 444 2.174 7.134 3.899 1.00 0.00 O ATOM 296 CB THR A 444 4.015 4.646 4.411 1.00 0.00 C ATOM 297 OG1 THR A 444 4.381 3.384 3.891 1.00 0.00 O ATOM 298 CG2 THR A 444 4.636 4.715 5.806 1.00 0.00 C ATOM 299 HA THR A 444 2.088 4.155 5.213 1.00 0.00 H ATOM 300 HB THR A 444 4.378 5.463 3.787 1.00 0.00 H ATOM 301 HG1 THR A 444 5.368 3.305 3.884 1.00 0.00 H ATOM 302 HG23 THR A 444 4.389 5.672 6.265 1.00 0.00 H ATOM 303 HG21 THR A 444 4.242 3.904 6.418 1.00 0.00 H ATOM 304 HG22 THR A 444 5.719 4.618 5.726 1.00 0.00 H ATOM 305 H THR A 444 2.067 5.048 2.333 1.00 0.00 H ATOM 306 N PHE A 445 1.735 6.521 6.020 1.00 0.00 N ATOM 307 CA PHE A 445 1.143 7.790 6.468 1.00 0.00 C ATOM 308 C PHE A 445 1.295 8.003 7.995 1.00 0.00 C ATOM 309 O PHE A 445 1.470 7.031 8.737 1.00 0.00 O ATOM 310 CB PHE A 445 -0.351 7.792 6.072 1.00 0.00 C ATOM 311 CG PHE A 445 -1.078 6.466 6.270 1.00 0.00 C ATOM 312 CD1 PHE A 445 -1.354 5.988 7.565 1.00 0.00 C ATOM 313 CD2 PHE A 445 -1.419 5.672 5.156 1.00 0.00 C ATOM 314 CE1 PHE A 445 -1.930 4.720 7.746 1.00 0.00 C ATOM 315 CE2 PHE A 445 -1.995 4.402 5.336 1.00 0.00 C ATOM 316 CZ PHE A 445 -2.245 3.923 6.631 1.00 0.00 C ATOM 317 HA PHE A 445 1.672 8.612 5.986 1.00 0.00 H ATOM 318 HB2 PHE A 445 -0.858 8.548 6.672 1.00 0.00 H ATOM 319 HB3 PHE A 445 -0.420 8.061 5.018 1.00 0.00 H ATOM 320 HD2 PHE A 445 -1.235 6.045 4.149 1.00 0.00 H ATOM 321 HE2 PHE A 445 -2.247 3.790 4.470 1.00 0.00 H ATOM 322 HZ PHE A 445 -2.683 2.935 6.772 1.00 0.00 H ATOM 323 HE1 PHE A 445 -2.133 4.353 8.752 1.00 0.00 H ATOM 324 HD1 PHE A 445 -1.119 6.605 8.432 1.00 0.00 H ATOM 325 H PHE A 445 1.860 5.771 6.729 1.00 0.00 H ATOM 326 N PRO A 446 1.214 9.253 8.499 1.00 0.00 N ATOM 327 CA PRO A 446 1.109 9.551 9.931 1.00 0.00 C ATOM 328 C PRO A 446 -0.046 8.806 10.621 1.00 0.00 C ATOM 329 O PRO A 446 -1.106 8.599 10.026 1.00 0.00 O ATOM 330 CB PRO A 446 0.903 11.069 10.023 1.00 0.00 C ATOM 331 CG PRO A 446 1.529 11.600 8.736 1.00 0.00 C ATOM 332 CD PRO A 446 1.255 10.486 7.729 1.00 0.00 C ATOM 333 HA PRO A 446 2.009 9.218 10.448 1.00 0.00 H ATOM 334 HD3 PRO A 446 0.301 10.653 7.229 1.00 0.00 H ATOM 335 HD2 PRO A 446 2.051 10.443 6.985 1.00 0.00 H ATOM 336 HG3 PRO A 446 2.600 11.761 8.859 1.00 0.00 H ATOM 337 HG2 PRO A 446 1.056 12.532 8.427 1.00 0.00 H ATOM 338 HB2 PRO A 446 -0.158 11.315 10.070 1.00 0.00 H ATOM 339 HB3 PRO A 446 1.408 11.477 10.898 1.00 0.00 H ATOM 340 N LYS A 447 0.123 8.461 11.905 1.00 0.00 N ATOM 341 CA LYS A 447 -0.848 7.683 12.711 1.00 0.00 C ATOM 342 C LYS A 447 -2.249 8.302 12.849 1.00 0.00 C ATOM 343 O LYS A 447 -3.187 7.608 13.244 1.00 0.00 O ATOM 344 CB LYS A 447 -0.236 7.366 14.090 1.00 0.00 C ATOM 345 CG LYS A 447 -0.031 8.608 14.976 1.00 0.00 C ATOM 346 CD LYS A 447 0.614 8.229 16.315 1.00 0.00 C ATOM 347 CE LYS A 447 0.810 9.482 17.176 1.00 0.00 C ATOM 348 NZ LYS A 447 1.440 9.155 18.481 1.00 0.00 N ATOM 349 HA LYS A 447 -1.027 6.765 12.151 1.00 0.00 H ATOM 350 HB2 LYS A 447 -0.900 6.677 14.611 1.00 0.00 H ATOM 351 HB3 LYS A 447 0.732 6.889 13.936 1.00 0.00 H ATOM 352 HG2 LYS A 447 0.616 9.314 14.456 1.00 0.00 H ATOM 353 HG3 LYS A 447 -0.998 9.074 15.165 1.00 0.00 H ATOM 354 HD2 LYS A 447 -0.032 7.527 16.841 1.00 0.00 H ATOM 355 HD3 LYS A 447 1.582 7.762 16.131 1.00 0.00 H ATOM 356 HE2 LYS A 447 -0.161 9.943 17.357 1.00 0.00 H ATOM 357 HE3 LYS A 447 1.449 10.184 16.640 1.00 0.00 H ATOM 358 HZ1 LYS A 447 0.832 8.490 19.001 1.00 0.00 H ATOM 359 HZ2 LYS A 447 2.370 8.720 18.316 1.00 0.00 H ATOM 360 HZ3 LYS A 447 1.557 10.027 19.036 1.00 0.00 H ATOM 361 H LYS A 447 1.002 8.762 12.372 1.00 0.00 H ATOM 362 N GLU A 448 -2.399 9.590 12.542 1.00 0.00 N ATOM 363 CA GLU A 448 -3.670 10.329 12.574 1.00 0.00 C ATOM 364 C GLU A 448 -4.535 10.143 11.309 1.00 0.00 C ATOM 365 O GLU A 448 -5.726 10.471 11.334 1.00 0.00 O ATOM 366 CB GLU A 448 -3.384 11.826 12.787 1.00 0.00 C ATOM 367 CG GLU A 448 -2.706 12.112 14.135 1.00 0.00 C ATOM 368 CD GLU A 448 -2.536 13.627 14.357 1.00 0.00 C ATOM 369 OE1 GLU A 448 -1.500 14.198 13.934 1.00 0.00 O ATOM 370 OE2 GLU A 448 -3.434 14.264 14.965 1.00 0.00 O ATOM 371 HA GLU A 448 -4.247 9.917 13.402 1.00 0.00 H ATOM 372 HB2 GLU A 448 -2.731 12.174 11.987 1.00 0.00 H ATOM 373 HB3 GLU A 448 -4.327 12.371 12.748 1.00 0.00 H ATOM 374 HG2 GLU A 448 -3.319 11.700 14.937 1.00 0.00 H ATOM 375 HG3 GLU A 448 -1.725 11.637 14.149 1.00 0.00 H ATOM 376 H GLU A 448 -1.548 10.115 12.257 1.00 0.00 H ATOM 377 N TRP A 449 -3.978 9.615 10.209 1.00 0.00 N ATOM 378 CA TRP A 449 -4.745 9.278 8.999 1.00 0.00 C ATOM 379 C TRP A 449 -5.797 8.197 9.265 1.00 0.00 C ATOM 380 O TRP A 449 -5.592 7.296 10.085 1.00 0.00 O ATOM 381 CB TRP A 449 -3.814 8.820 7.867 1.00 0.00 C ATOM 382 CG TRP A 449 -3.225 9.913 7.029 1.00 0.00 C ATOM 383 CD1 TRP A 449 -2.452 10.929 7.473 1.00 0.00 C ATOM 384 CD2 TRP A 449 -3.362 10.115 5.587 1.00 0.00 C ATOM 385 NE1 TRP A 449 -2.105 11.746 6.413 1.00 0.00 N ATOM 386 CE2 TRP A 449 -2.647 11.297 5.227 1.00 0.00 C ATOM 387 CE3 TRP A 449 -4.026 9.424 4.547 1.00 0.00 C ATOM 388 CZ2 TRP A 449 -2.604 11.778 3.910 1.00 0.00 C ATOM 389 CZ3 TRP A 449 -3.991 9.899 3.222 1.00 0.00 C ATOM 390 CH2 TRP A 449 -3.283 11.072 2.901 1.00 0.00 C ATOM 391 HA TRP A 449 -5.262 10.188 8.695 1.00 0.00 H ATOM 392 HB2 TRP A 449 -2.992 8.261 8.314 1.00 0.00 H ATOM 393 HB3 TRP A 449 -4.384 8.163 7.209 1.00 0.00 H ATOM 394 HE1 TRP A 449 -1.509 12.594 6.499 1.00 0.00 H ATOM 395 HD1 TRP A 449 -2.148 11.081 8.509 1.00 0.00 H ATOM 396 HZ2 TRP A 449 -2.052 12.687 3.672 1.00 0.00 H ATOM 397 HH2 TRP A 449 -3.261 11.433 1.873 1.00 0.00 H ATOM 398 HZ3 TRP A 449 -4.517 9.354 2.438 1.00 0.00 H ATOM 399 HE3 TRP A 449 -4.573 8.509 4.775 1.00 0.00 H ATOM 400 H TRP A 449 -2.954 9.435 10.211 1.00 0.00 H ATOM 401 N LYS A 450 -6.909 8.262 8.527 1.00 0.00 N ATOM 402 CA LYS A 450 -8.088 7.390 8.661 1.00 0.00 C ATOM 403 C LYS A 450 -8.513 6.798 7.314 1.00 0.00 C ATOM 404 O LYS A 450 -8.122 7.292 6.257 1.00 0.00 O ATOM 405 CB LYS A 450 -9.219 8.196 9.314 1.00 0.00 C ATOM 406 CG LYS A 450 -8.910 8.326 10.810 1.00 0.00 C ATOM 407 CD LYS A 450 -9.890 9.219 11.556 1.00 0.00 C ATOM 408 CE LYS A 450 -9.705 10.717 11.261 1.00 0.00 C ATOM 409 NZ LYS A 450 -8.443 11.258 11.832 1.00 0.00 N ATOM 410 HA LYS A 450 -7.839 6.539 9.295 1.00 0.00 H ATOM 411 HB2 LYS A 450 -9.277 9.186 8.861 1.00 0.00 H ATOM 412 HB3 LYS A 450 -10.169 7.679 9.176 1.00 0.00 H ATOM 413 HG2 LYS A 450 -8.940 7.332 11.256 1.00 0.00 H ATOM 414 HG3 LYS A 450 -7.909 8.743 10.921 1.00 0.00 H ATOM 415 HD2 LYS A 450 -10.903 8.934 11.271 1.00 0.00 H ATOM 416 HD3 LYS A 450 -9.757 9.059 12.626 1.00 0.00 H ATOM 417 HE2 LYS A 450 -10.545 11.264 11.688 1.00 0.00 H ATOM 418 HE3 LYS A 450 -9.691 10.862 10.181 1.00 0.00 H ATOM 419 HZ1 LYS A 450 -8.449 11.133 12.864 1.00 0.00 H ATOM 420 HZ2 LYS A 450 -7.633 10.748 11.425 1.00 0.00 H ATOM 421 HZ3 LYS A 450 -8.367 12.270 11.605 1.00 0.00 H ATOM 422 H LYS A 450 -6.945 8.996 7.791 1.00 0.00 H ATOM 423 N THR A 451 -9.374 5.779 7.340 1.00 0.00 N ATOM 424 CA THR A 451 -10.008 5.183 6.149 1.00 0.00 C ATOM 425 C THR A 451 -10.652 6.237 5.240 1.00 0.00 C ATOM 426 O THR A 451 -10.579 6.133 4.018 1.00 0.00 O ATOM 427 CB THR A 451 -11.088 4.162 6.547 1.00 0.00 C ATOM 428 OG1 THR A 451 -10.730 3.424 7.697 1.00 0.00 O ATOM 429 CG2 THR A 451 -11.357 3.161 5.427 1.00 0.00 C ATOM 430 HA THR A 451 -9.207 4.688 5.601 1.00 0.00 H ATOM 431 HB THR A 451 -11.981 4.752 6.752 1.00 0.00 H ATOM 432 HG1 THR A 451 -11.452 2.783 7.914 1.00 0.00 H ATOM 433 HG23 THR A 451 -11.637 3.698 4.521 1.00 0.00 H ATOM 434 HG21 THR A 451 -10.457 2.576 5.240 1.00 0.00 H ATOM 435 HG22 THR A 451 -12.169 2.497 5.723 1.00 0.00 H ATOM 436 H THR A 451 -9.616 5.376 8.268 1.00 0.00 H ATOM 437 N SER A 452 -11.234 7.292 5.818 1.00 0.00 N ATOM 438 CA SER A 452 -11.811 8.413 5.065 1.00 0.00 C ATOM 439 C SER A 452 -10.774 9.235 4.291 1.00 0.00 C ATOM 440 O SER A 452 -11.010 9.587 3.135 1.00 0.00 O ATOM 441 CB SER A 452 -12.542 9.361 6.013 1.00 0.00 C ATOM 442 OG SER A 452 -13.638 8.705 6.633 1.00 0.00 O ATOM 443 HA SER A 452 -12.490 7.960 4.342 1.00 0.00 H ATOM 444 HB2 SER A 452 -12.910 10.218 5.449 1.00 0.00 H ATOM 445 HB3 SER A 452 -11.849 9.704 6.781 1.00 0.00 H ATOM 446 HG SER A 452 -14.097 9.336 7.242 1.00 0.00 H ATOM 447 H SER A 452 -11.281 7.321 6.857 1.00 0.00 H ATOM 448 N ASP A 453 -9.609 9.514 4.888 1.00 0.00 N ATOM 449 CA ASP A 453 -8.492 10.180 4.197 1.00 0.00 C ATOM 450 C ASP A 453 -7.940 9.304 3.062 1.00 0.00 C ATOM 451 O ASP A 453 -7.504 9.811 2.028 1.00 0.00 O ATOM 452 CB ASP A 453 -7.348 10.501 5.172 1.00 0.00 C ATOM 453 CG ASP A 453 -7.778 11.382 6.351 1.00 0.00 C ATOM 454 OD1 ASP A 453 -8.211 12.539 6.127 1.00 0.00 O ATOM 455 OD2 ASP A 453 -7.665 10.914 7.508 1.00 0.00 O ATOM 456 HA ASP A 453 -8.885 11.108 3.781 1.00 0.00 H ATOM 457 HB2 ASP A 453 -6.957 9.563 5.566 1.00 0.00 H ATOM 458 HB3 ASP A 453 -6.561 11.019 4.623 1.00 0.00 H ATOM 459 H ASP A 453 -9.487 9.248 5.886 1.00 0.00 H ATOM 460 N LEU A 454 -8.005 7.981 3.236 1.00 0.00 N ATOM 461 CA LEU A 454 -7.583 6.999 2.234 1.00 0.00 C ATOM 462 C LEU A 454 -8.573 6.930 1.057 1.00 0.00 C ATOM 463 O LEU A 454 -8.153 7.029 -0.097 1.00 0.00 O ATOM 464 CB LEU A 454 -7.372 5.634 2.918 1.00 0.00 C ATOM 465 CG LEU A 454 -6.116 5.570 3.809 1.00 0.00 C ATOM 466 CD1 LEU A 454 -6.128 4.266 4.609 1.00 0.00 C ATOM 467 CD2 LEU A 454 -4.820 5.619 2.995 1.00 0.00 C ATOM 468 HA LEU A 454 -6.633 7.310 1.800 1.00 0.00 H ATOM 469 HB2 LEU A 454 -8.244 5.422 3.537 1.00 0.00 H ATOM 470 HB3 LEU A 454 -7.283 4.872 2.144 1.00 0.00 H ATOM 471 HG LEU A 454 -6.142 6.440 4.465 1.00 0.00 H ATOM 472 HD21 LEU A 454 -4.791 4.772 2.309 1.00 0.00 H ATOM 473 HD22 LEU A 454 -4.784 6.549 2.427 1.00 0.00 H ATOM 474 HD23 LEU A 454 -3.966 5.571 3.671 1.00 0.00 H ATOM 475 HD11 LEU A 454 -7.021 4.233 5.234 1.00 0.00 H ATOM 476 HD12 LEU A 454 -6.132 3.420 3.922 1.00 0.00 H ATOM 477 HD13 LEU A 454 -5.240 4.220 5.239 1.00 0.00 H ATOM 478 H LEU A 454 -8.379 7.626 4.139 1.00 0.00 H ATOM 479 N TYR A 455 -9.884 6.869 1.315 1.00 0.00 N ATOM 480 CA TYR A 455 -10.905 7.017 0.268 1.00 0.00 C ATOM 481 C TYR A 455 -10.799 8.362 -0.471 1.00 0.00 C ATOM 482 O TYR A 455 -10.951 8.395 -1.692 1.00 0.00 O ATOM 483 CB TYR A 455 -12.319 6.822 0.843 1.00 0.00 C ATOM 484 CG TYR A 455 -12.776 5.374 0.915 1.00 0.00 C ATOM 485 CD1 TYR A 455 -13.032 4.664 -0.276 1.00 0.00 C ATOM 486 CD2 TYR A 455 -12.983 4.746 2.158 1.00 0.00 C ATOM 487 CE1 TYR A 455 -13.467 3.325 -0.224 1.00 0.00 C ATOM 488 CE2 TYR A 455 -13.417 3.406 2.215 1.00 0.00 C ATOM 489 CZ TYR A 455 -13.652 2.689 1.021 1.00 0.00 C ATOM 490 OH TYR A 455 -14.069 1.393 1.063 1.00 0.00 O ATOM 491 HA TYR A 455 -10.717 6.233 -0.466 1.00 0.00 H ATOM 492 HB3 TYR A 455 -13.021 7.370 0.215 1.00 0.00 H ATOM 493 HB2 TYR A 455 -12.337 7.235 1.851 1.00 0.00 H ATOM 494 HD2 TYR A 455 -12.807 5.299 3.081 1.00 0.00 H ATOM 495 HE2 TYR A 455 -13.571 2.923 3.180 1.00 0.00 H ATOM 496 HE1 TYR A 455 -13.661 2.780 -1.148 1.00 0.00 H ATOM 497 HD1 TYR A 455 -12.893 5.153 -1.240 1.00 0.00 H ATOM 498 HH TYR A 455 -14.181 1.054 0.140 1.00 0.00 H ATOM 499 H TYR A 455 -10.193 6.711 2.295 1.00 0.00 H ATOM 500 N GLN A 456 -10.489 9.461 0.227 1.00 0.00 N ATOM 501 CA GLN A 456 -10.268 10.775 -0.390 1.00 0.00 C ATOM 502 C GLN A 456 -9.002 10.819 -1.270 1.00 0.00 C ATOM 503 O GLN A 456 -9.036 11.412 -2.351 1.00 0.00 O ATOM 504 CB GLN A 456 -10.233 11.850 0.713 1.00 0.00 C ATOM 505 CG GLN A 456 -10.044 13.291 0.204 1.00 0.00 C ATOM 506 CD GLN A 456 -11.165 13.760 -0.724 1.00 0.00 C ATOM 507 OE1 GLN A 456 -12.172 14.316 -0.300 1.00 0.00 O ATOM 508 NE2 GLN A 456 -11.040 13.561 -2.021 1.00 0.00 N ATOM 509 HA GLN A 456 -11.098 10.977 -1.067 1.00 0.00 H ATOM 510 HB2 GLN A 456 -11.174 11.804 1.261 1.00 0.00 H ATOM 511 HB3 GLN A 456 -9.409 11.617 1.388 1.00 0.00 H ATOM 512 HG2 GLN A 456 -10.005 13.959 1.064 1.00 0.00 H ATOM 513 HG3 GLN A 456 -9.100 13.345 -0.339 1.00 0.00 H ATOM 514 HE22 GLN A 456 -10.191 13.091 -2.396 1.00 0.00 H ATOM 515 HE21 GLN A 456 -11.790 13.874 -2.670 1.00 0.00 H ATOM 516 H GLN A 456 -10.400 9.380 1.260 1.00 0.00 H ATOM 517 N LEU A 457 -7.903 10.182 -0.847 1.00 0.00 N ATOM 518 CA LEU A 457 -6.636 10.115 -1.587 1.00 0.00 C ATOM 519 C LEU A 457 -6.785 9.327 -2.898 1.00 0.00 C ATOM 520 O LEU A 457 -6.321 9.765 -3.953 1.00 0.00 O ATOM 521 CB LEU A 457 -5.569 9.487 -0.662 1.00 0.00 C ATOM 522 CG LEU A 457 -4.222 9.148 -1.330 1.00 0.00 C ATOM 523 CD1 LEU A 457 -3.553 10.372 -1.953 1.00 0.00 C ATOM 524 CD2 LEU A 457 -3.261 8.555 -0.298 1.00 0.00 C ATOM 525 HA LEU A 457 -6.326 11.120 -1.874 1.00 0.00 H ATOM 526 HB2 LEU A 457 -5.374 10.188 0.149 1.00 0.00 H ATOM 527 HB3 LEU A 457 -5.981 8.565 -0.252 1.00 0.00 H ATOM 528 HG LEU A 457 -4.439 8.431 -2.122 1.00 0.00 H ATOM 529 HD21 LEU A 457 -3.094 9.279 0.500 1.00 0.00 H ATOM 530 HD22 LEU A 457 -3.694 7.646 0.119 1.00 0.00 H ATOM 531 HD23 LEU A 457 -2.312 8.319 -0.780 1.00 0.00 H ATOM 532 HD11 LEU A 457 -4.209 10.795 -2.714 1.00 0.00 H ATOM 533 HD12 LEU A 457 -3.366 11.116 -1.179 1.00 0.00 H ATOM 534 HD13 LEU A 457 -2.608 10.075 -2.409 1.00 0.00 H ATOM 535 H LEU A 457 -7.950 9.699 0.073 1.00 0.00 H ATOM 536 N PHE A 458 -7.473 8.186 -2.840 1.00 0.00 N ATOM 537 CA PHE A 458 -7.635 7.267 -3.975 1.00 0.00 C ATOM 538 C PHE A 458 -8.942 7.478 -4.770 1.00 0.00 C ATOM 539 O PHE A 458 -9.220 6.737 -5.715 1.00 0.00 O ATOM 540 CB PHE A 458 -7.438 5.828 -3.476 1.00 0.00 C ATOM 541 CG PHE A 458 -6.002 5.518 -3.090 1.00 0.00 C ATOM 542 CD1 PHE A 458 -5.043 5.287 -4.094 1.00 0.00 C ATOM 543 CD2 PHE A 458 -5.611 5.487 -1.738 1.00 0.00 C ATOM 544 CE1 PHE A 458 -3.701 5.052 -3.751 1.00 0.00 C ATOM 545 CE2 PHE A 458 -4.269 5.251 -1.394 1.00 0.00 C ATOM 546 CZ PHE A 458 -3.313 5.034 -2.401 1.00 0.00 C ATOM 547 HA PHE A 458 -6.865 7.489 -4.713 1.00 0.00 H ATOM 548 HB2 PHE A 458 -8.072 5.674 -2.603 1.00 0.00 H ATOM 549 HB3 PHE A 458 -7.740 5.142 -4.268 1.00 0.00 H ATOM 550 HD2 PHE A 458 -6.352 5.647 -0.955 1.00 0.00 H ATOM 551 HE2 PHE A 458 -3.970 5.236 -0.346 1.00 0.00 H ATOM 552 HZ PHE A 458 -2.272 4.852 -2.135 1.00 0.00 H ATOM 553 HE1 PHE A 458 -2.960 4.884 -4.533 1.00 0.00 H ATOM 554 HD1 PHE A 458 -5.343 5.290 -5.142 1.00 0.00 H ATOM 555 H PHE A 458 -7.922 7.931 -1.937 1.00 0.00 H ATOM 556 N SER A 459 -9.712 8.530 -4.459 1.00 0.00 N ATOM 557 CA SER A 459 -10.919 8.950 -5.200 1.00 0.00 C ATOM 558 C SER A 459 -10.664 9.189 -6.700 1.00 0.00 C ATOM 559 O SER A 459 -11.563 9.003 -7.525 1.00 0.00 O ATOM 560 CB SER A 459 -11.497 10.221 -4.558 1.00 0.00 C ATOM 561 OG SER A 459 -12.811 10.497 -5.020 1.00 0.00 O ATOM 562 HA SER A 459 -11.633 8.129 -5.136 1.00 0.00 H ATOM 563 HB2 SER A 459 -10.852 11.065 -4.804 1.00 0.00 H ATOM 564 HB3 SER A 459 -11.524 10.089 -3.476 1.00 0.00 H ATOM 565 HG SER A 459 -12.794 10.625 -6.002 1.00 0.00 H ATOM 566 H SER A 459 -9.438 9.095 -3.630 1.00 0.00 H ATOM 567 N ALA A 460 -9.426 9.538 -7.072 1.00 0.00 N ATOM 568 CA ALA A 460 -8.958 9.689 -8.455 1.00 0.00 C ATOM 569 C ALA A 460 -9.039 8.404 -9.317 1.00 0.00 C ATOM 570 O ALA A 460 -8.874 8.477 -10.539 1.00 0.00 O ATOM 571 CB ALA A 460 -7.520 10.222 -8.400 1.00 0.00 C ATOM 572 HA ALA A 460 -9.631 10.384 -8.956 1.00 0.00 H ATOM 573 HB1 ALA A 460 -7.510 11.184 -7.887 1.00 0.00 H ATOM 574 HB2 ALA A 460 -6.892 9.514 -7.860 1.00 0.00 H ATOM 575 HB3 ALA A 460 -7.141 10.346 -9.414 1.00 0.00 H ATOM 576 H ALA A 460 -8.736 9.718 -6.315 1.00 0.00 H ATOM 577 N PHE A 461 -9.308 7.241 -8.709 1.00 0.00 N ATOM 578 CA PHE A 461 -9.306 5.920 -9.354 1.00 0.00 C ATOM 579 C PHE A 461 -10.650 5.168 -9.225 1.00 0.00 C ATOM 580 O PHE A 461 -10.745 3.998 -9.606 1.00 0.00 O ATOM 581 CB PHE A 461 -8.137 5.101 -8.782 1.00 0.00 C ATOM 582 CG PHE A 461 -6.786 5.795 -8.843 1.00 0.00 C ATOM 583 CD1 PHE A 461 -6.132 5.971 -10.077 1.00 0.00 C ATOM 584 CD2 PHE A 461 -6.192 6.286 -7.666 1.00 0.00 C ATOM 585 CE1 PHE A 461 -4.882 6.614 -10.130 1.00 0.00 C ATOM 586 CE2 PHE A 461 -4.945 6.935 -7.717 1.00 0.00 C ATOM 587 CZ PHE A 461 -4.287 7.095 -8.950 1.00 0.00 C ATOM 588 HA PHE A 461 -9.173 6.065 -10.426 1.00 0.00 H ATOM 589 HB2 PHE A 461 -8.357 4.877 -7.738 1.00 0.00 H ATOM 590 HB3 PHE A 461 -8.067 4.170 -9.345 1.00 0.00 H ATOM 591 HD2 PHE A 461 -6.701 6.163 -6.710 1.00 0.00 H ATOM 592 HE2 PHE A 461 -4.489 7.313 -6.802 1.00 0.00 H ATOM 593 HZ PHE A 461 -3.317 7.591 -8.991 1.00 0.00 H ATOM 594 HE1 PHE A 461 -4.374 6.740 -11.086 1.00 0.00 H ATOM 595 HD1 PHE A 461 -6.596 5.608 -10.994 1.00 0.00 H ATOM 596 H PHE A 461 -9.538 7.276 -7.695 1.00 0.00 H ATOM 597 N GLY A 462 -11.702 5.819 -8.712 1.00 0.00 N ATOM 598 CA GLY A 462 -13.034 5.220 -8.544 1.00 0.00 C ATOM 599 C GLY A 462 -13.151 4.348 -7.286 1.00 0.00 C ATOM 600 O GLY A 462 -12.564 4.659 -6.246 1.00 0.00 O ATOM 601 HA3 GLY A 462 -13.248 4.602 -9.416 1.00 0.00 H ATOM 602 HA2 GLY A 462 -13.769 6.022 -8.479 1.00 0.00 H ATOM 603 H GLY A 462 -11.569 6.807 -8.415 1.00 0.00 H ATOM 604 N ASN A 463 -13.940 3.271 -7.362 1.00 0.00 N ATOM 605 CA ASN A 463 -14.092 2.284 -6.284 1.00 0.00 C ATOM 606 C ASN A 463 -12.768 1.543 -5.971 1.00 0.00 C ATOM 607 O ASN A 463 -11.992 1.227 -6.878 1.00 0.00 O ATOM 608 CB ASN A 463 -15.210 1.303 -6.687 1.00 0.00 C ATOM 609 CG ASN A 463 -15.561 0.321 -5.578 1.00 0.00 C ATOM 610 OD1 ASN A 463 -15.629 0.665 -4.406 1.00 0.00 O ATOM 611 ND2 ASN A 463 -15.785 -0.933 -5.904 1.00 0.00 N ATOM 612 HA ASN A 463 -14.362 2.799 -5.362 1.00 0.00 H ATOM 613 HB2 ASN A 463 -16.102 1.876 -6.940 1.00 0.00 H ATOM 614 HB3 ASN A 463 -14.881 0.740 -7.560 1.00 0.00 H ATOM 615 HD22 ASN A 463 -15.728 -1.230 -6.899 1.00 0.00 H ATOM 616 HD21 ASN A 463 -16.019 -1.628 -5.167 1.00 0.00 H ATOM 617 H ASN A 463 -14.480 3.123 -8.239 1.00 0.00 H ATOM 618 N ILE A 464 -12.537 1.234 -4.690 1.00 0.00 N ATOM 619 CA ILE A 464 -11.305 0.625 -4.144 1.00 0.00 C ATOM 620 C ILE A 464 -11.618 -0.338 -2.984 1.00 0.00 C ATOM 621 O ILE A 464 -12.760 -0.427 -2.525 1.00 0.00 O ATOM 622 CB ILE A 464 -10.313 1.720 -3.661 1.00 0.00 C ATOM 623 CG1 ILE A 464 -10.874 2.521 -2.461 1.00 0.00 C ATOM 624 CG2 ILE A 464 -9.887 2.642 -4.815 1.00 0.00 C ATOM 625 CD1 ILE A 464 -9.936 3.611 -1.942 1.00 0.00 C ATOM 626 HA ILE A 464 -10.843 0.055 -4.950 1.00 0.00 H ATOM 627 HB ILE A 464 -9.418 1.209 -3.307 1.00 0.00 H ATOM 628 HG12 ILE A 464 -11.807 2.991 -2.770 1.00 0.00 H ATOM 629 HG13 ILE A 464 -11.072 1.824 -1.647 1.00 0.00 H ATOM 630 HD11 ILE A 464 -9.000 3.158 -1.615 1.00 0.00 H ATOM 631 HD12 ILE A 464 -9.736 4.326 -2.740 1.00 0.00 H ATOM 632 HD13 ILE A 464 -10.406 4.123 -1.102 1.00 0.00 H ATOM 633 HG21 ILE A 464 -9.399 2.051 -5.590 1.00 0.00 H ATOM 634 HG22 ILE A 464 -10.767 3.132 -5.231 1.00 0.00 H ATOM 635 HG23 ILE A 464 -9.194 3.395 -4.440 1.00 0.00 H ATOM 636 H ILE A 464 -13.298 1.442 -4.012 1.00 0.00 H ATOM 637 N GLN A 465 -10.592 -1.018 -2.465 1.00 0.00 N ATOM 638 CA GLN A 465 -10.627 -1.795 -1.215 1.00 0.00 C ATOM 639 C GLN A 465 -9.354 -1.509 -0.400 1.00 0.00 C ATOM 640 O GLN A 465 -8.304 -1.215 -0.976 1.00 0.00 O ATOM 641 CB GLN A 465 -10.755 -3.302 -1.513 1.00 0.00 C ATOM 642 CG GLN A 465 -12.109 -3.733 -2.104 1.00 0.00 C ATOM 643 CD GLN A 465 -13.256 -3.646 -1.097 1.00 0.00 C ATOM 644 OE1 GLN A 465 -13.537 -4.578 -0.351 1.00 0.00 O ATOM 645 NE2 GLN A 465 -13.964 -2.539 -1.026 1.00 0.00 N ATOM 646 HA GLN A 465 -11.499 -1.495 -0.633 1.00 0.00 H ATOM 647 HB2 GLN A 465 -9.973 -3.575 -2.222 1.00 0.00 H ATOM 648 HB3 GLN A 465 -10.604 -3.846 -0.581 1.00 0.00 H ATOM 649 HG2 GLN A 465 -12.340 -3.087 -2.951 1.00 0.00 H ATOM 650 HG3 GLN A 465 -12.026 -4.764 -2.448 1.00 0.00 H ATOM 651 HE22 GLN A 465 -13.741 -1.738 -1.651 1.00 0.00 H ATOM 652 HE21 GLN A 465 -14.747 -2.465 -0.345 1.00 0.00 H ATOM 653 H GLN A 465 -9.693 -0.997 -2.988 1.00 0.00 H ATOM 654 N ILE A 466 -9.439 -1.593 0.932 1.00 0.00 N ATOM 655 CA ILE A 466 -8.386 -1.178 1.880 1.00 0.00 C ATOM 656 C ILE A 466 -8.194 -2.279 2.938 1.00 0.00 C ATOM 657 O ILE A 466 -9.171 -2.784 3.497 1.00 0.00 O ATOM 658 CB ILE A 466 -8.753 0.180 2.543 1.00 0.00 C ATOM 659 CG1 ILE A 466 -9.018 1.293 1.494 1.00 0.00 C ATOM 660 CG2 ILE A 466 -7.642 0.617 3.522 1.00 0.00 C ATOM 661 CD1 ILE A 466 -9.552 2.608 2.077 1.00 0.00 C ATOM 662 HA ILE A 466 -7.448 -1.038 1.343 1.00 0.00 H ATOM 663 HB ILE A 466 -9.680 0.030 3.096 1.00 0.00 H ATOM 664 HG12 ILE A 466 -8.081 1.505 0.979 1.00 0.00 H ATOM 665 HG13 ILE A 466 -9.748 0.918 0.777 1.00 0.00 H ATOM 666 HD11 ILE A 466 -10.498 2.421 2.585 1.00 0.00 H ATOM 667 HD12 ILE A 466 -8.829 3.009 2.788 1.00 0.00 H ATOM 668 HD13 ILE A 466 -9.707 3.325 1.271 1.00 0.00 H ATOM 669 HG21 ILE A 466 -7.526 -0.139 4.299 1.00 0.00 H ATOM 670 HG22 ILE A 466 -6.704 0.728 2.979 1.00 0.00 H ATOM 671 HG23 ILE A 466 -7.915 1.569 3.977 1.00 0.00 H ATOM 672 H ILE A 466 -10.317 -1.982 1.332 1.00 0.00 H ATOM 673 N SER A 467 -6.938 -2.642 3.219 1.00 0.00 N ATOM 674 CA SER A 467 -6.542 -3.705 4.154 1.00 0.00 C ATOM 675 C SER A 467 -5.375 -3.256 5.042 1.00 0.00 C ATOM 676 O SER A 467 -4.219 -3.245 4.614 1.00 0.00 O ATOM 677 CB SER A 467 -6.152 -4.966 3.374 1.00 0.00 C ATOM 678 OG SER A 467 -7.288 -5.591 2.792 1.00 0.00 O ATOM 679 HA SER A 467 -7.392 -3.926 4.799 1.00 0.00 H ATOM 680 HB2 SER A 467 -5.670 -5.669 4.054 1.00 0.00 H ATOM 681 HB3 SER A 467 -5.454 -4.692 2.583 1.00 0.00 H ATOM 682 HG SER A 467 -7.001 -6.399 2.297 1.00 0.00 H ATOM 683 H SER A 467 -6.175 -2.128 2.734 1.00 0.00 H ATOM 684 N TRP A 468 -5.673 -2.860 6.281 1.00 0.00 N ATOM 685 CA TRP A 468 -4.682 -2.418 7.274 1.00 0.00 C ATOM 686 C TRP A 468 -3.628 -3.480 7.621 1.00 0.00 C ATOM 687 O TRP A 468 -3.923 -4.680 7.640 1.00 0.00 O ATOM 688 CB TRP A 468 -5.404 -2.032 8.568 1.00 0.00 C ATOM 689 CG TRP A 468 -6.373 -0.899 8.455 1.00 0.00 C ATOM 690 CD1 TRP A 468 -7.718 -1.006 8.397 1.00 0.00 C ATOM 691 CD2 TRP A 468 -6.087 0.528 8.430 1.00 0.00 C ATOM 692 NE1 TRP A 468 -8.276 0.249 8.232 1.00 0.00 N ATOM 693 CE2 TRP A 468 -7.309 1.233 8.223 1.00 0.00 C ATOM 694 CE3 TRP A 468 -4.916 1.296 8.585 1.00 0.00 C ATOM 695 CZ2 TRP A 468 -7.352 2.628 8.082 1.00 0.00 C ATOM 696 CZ3 TRP A 468 -4.956 2.697 8.467 1.00 0.00 C ATOM 697 CH2 TRP A 468 -6.161 3.364 8.186 1.00 0.00 C ATOM 698 HA TRP A 468 -4.159 -1.575 6.823 1.00 0.00 H ATOM 699 HB2 TRP A 468 -5.950 -2.907 8.921 1.00 0.00 H ATOM 700 HB3 TRP A 468 -4.649 -1.755 9.304 1.00 0.00 H ATOM 701 HE1 TRP A 468 -9.295 0.428 8.128 1.00 0.00 H ATOM 702 HD1 TRP A 468 -8.278 -1.938 8.469 1.00 0.00 H ATOM 703 HZ2 TRP A 468 -8.299 3.134 7.894 1.00 0.00 H ATOM 704 HH2 TRP A 468 -6.171 4.445 8.050 1.00 0.00 H ATOM 705 HZ3 TRP A 468 -4.040 3.274 8.595 1.00 0.00 H ATOM 706 HE3 TRP A 468 -3.969 0.799 8.799 1.00 0.00 H ATOM 707 H TRP A 468 -6.674 -2.864 6.564 1.00 0.00 H ATOM 708 N ILE A 469 -2.428 -3.021 7.998 1.00 0.00 N ATOM 709 CA ILE A 469 -1.357 -3.846 8.578 1.00 0.00 C ATOM 710 C ILE A 469 -0.679 -3.205 9.802 1.00 0.00 C ATOM 711 O ILE A 469 -0.088 -3.921 10.613 1.00 0.00 O ATOM 712 CB ILE A 469 -0.307 -4.221 7.514 1.00 0.00 C ATOM 713 CG1 ILE A 469 0.295 -3.006 6.775 1.00 0.00 C ATOM 714 CG2 ILE A 469 -0.898 -5.231 6.523 1.00 0.00 C ATOM 715 CD1 ILE A 469 1.528 -3.363 5.940 1.00 0.00 C ATOM 716 HA ILE A 469 -1.844 -4.753 8.936 1.00 0.00 H ATOM 717 HB ILE A 469 0.526 -4.678 8.048 1.00 0.00 H ATOM 718 HG12 ILE A 469 -0.465 -2.591 6.113 1.00 0.00 H ATOM 719 HG13 ILE A 469 0.580 -2.257 7.513 1.00 0.00 H ATOM 720 HD11 ILE A 469 2.301 -3.771 6.592 1.00 0.00 H ATOM 721 HD12 ILE A 469 1.255 -4.105 5.190 1.00 0.00 H ATOM 722 HD13 ILE A 469 1.903 -2.466 5.446 1.00 0.00 H ATOM 723 HG21 ILE A 469 -1.201 -6.130 7.060 1.00 0.00 H ATOM 724 HG22 ILE A 469 -1.765 -4.790 6.031 1.00 0.00 H ATOM 725 HG23 ILE A 469 -0.147 -5.488 5.776 1.00 0.00 H ATOM 726 H ILE A 469 -2.239 -2.006 7.871 1.00 0.00 H ATOM 727 N ASP A 470 -0.790 -1.885 9.980 1.00 0.00 N ATOM 728 CA ASP A 470 -0.274 -1.151 11.148 1.00 0.00 C ATOM 729 C ASP A 470 -1.085 0.135 11.432 1.00 0.00 C ATOM 730 O ASP A 470 -2.023 0.479 10.708 1.00 0.00 O ATOM 731 CB ASP A 470 1.218 -0.826 10.923 1.00 0.00 C ATOM 732 CG ASP A 470 2.037 -0.899 12.224 1.00 0.00 C ATOM 733 OD1 ASP A 470 1.920 0.020 13.067 1.00 0.00 O ATOM 734 OD2 ASP A 470 2.801 -1.878 12.412 1.00 0.00 O ATOM 735 HA ASP A 470 -0.381 -1.785 12.028 1.00 0.00 H ATOM 736 HB2 ASP A 470 1.629 -1.541 10.210 1.00 0.00 H ATOM 737 HB3 ASP A 470 1.299 0.181 10.514 1.00 0.00 H ATOM 738 H ASP A 470 -1.275 -1.337 9.241 1.00 0.00 H ATOM 739 N ASP A 471 -0.688 0.885 12.461 1.00 0.00 N ATOM 740 CA ASP A 471 -1.192 2.236 12.763 1.00 0.00 C ATOM 741 C ASP A 471 -0.841 3.261 11.667 1.00 0.00 C ATOM 742 O ASP A 471 -1.543 4.262 11.505 1.00 0.00 O ATOM 743 CB ASP A 471 -0.580 2.729 14.085 1.00 0.00 C ATOM 744 CG ASP A 471 -1.240 2.106 15.324 1.00 0.00 C ATOM 745 OD1 ASP A 471 -2.209 2.714 15.839 1.00 0.00 O ATOM 746 OD2 ASP A 471 -0.765 1.054 15.818 1.00 0.00 O ATOM 747 HA ASP A 471 -2.277 2.159 12.826 1.00 0.00 H ATOM 748 HB2 ASP A 471 0.480 2.476 14.092 1.00 0.00 H ATOM 749 HB3 ASP A 471 -0.694 3.812 14.138 1.00 0.00 H ATOM 750 H ASP A 471 0.031 0.486 13.098 1.00 0.00 H ATOM 751 N THR A 472 0.238 3.011 10.918 1.00 0.00 N ATOM 752 CA THR A 472 0.880 3.954 9.981 1.00 0.00 C ATOM 753 C THR A 472 1.030 3.412 8.555 1.00 0.00 C ATOM 754 O THR A 472 1.615 4.087 7.704 1.00 0.00 O ATOM 755 CB THR A 472 2.262 4.380 10.516 1.00 0.00 C ATOM 756 OG1 THR A 472 3.065 3.248 10.802 1.00 0.00 O ATOM 757 CG2 THR A 472 2.150 5.192 11.807 1.00 0.00 C ATOM 758 HA THR A 472 0.210 4.812 9.919 1.00 0.00 H ATOM 759 HB THR A 472 2.713 4.989 9.733 1.00 0.00 H ATOM 760 HG1 THR A 472 3.945 3.547 11.143 1.00 0.00 H ATOM 761 HG23 THR A 472 1.537 6.075 11.627 1.00 0.00 H ATOM 762 HG21 THR A 472 1.688 4.579 12.581 1.00 0.00 H ATOM 763 HG22 THR A 472 3.145 5.498 12.129 1.00 0.00 H ATOM 764 H THR A 472 0.664 2.066 11.003 1.00 0.00 H ATOM 765 N SER A 473 0.512 2.212 8.259 1.00 0.00 N ATOM 766 CA SER A 473 0.459 1.692 6.885 1.00 0.00 C ATOM 767 C SER A 473 -0.650 0.662 6.628 1.00 0.00 C ATOM 768 O SER A 473 -1.148 -0.013 7.537 1.00 0.00 O ATOM 769 CB SER A 473 1.821 1.131 6.451 1.00 0.00 C ATOM 770 OG SER A 473 2.214 -0.005 7.203 1.00 0.00 O ATOM 771 HA SER A 473 0.205 2.556 6.271 1.00 0.00 H ATOM 772 HB2 SER A 473 2.574 1.909 6.576 1.00 0.00 H ATOM 773 HB3 SER A 473 1.763 0.849 5.400 1.00 0.00 H ATOM 774 HG SER A 473 3.095 -0.323 6.882 1.00 0.00 H ATOM 775 H SER A 473 0.133 1.626 9.031 1.00 0.00 H ATOM 776 N ALA A 474 -1.039 0.555 5.355 1.00 0.00 N ATOM 777 CA ALA A 474 -2.088 -0.330 4.849 1.00 0.00 C ATOM 778 C ALA A 474 -1.857 -0.689 3.368 1.00 0.00 C ATOM 779 O ALA A 474 -1.158 0.028 2.645 1.00 0.00 O ATOM 780 CB ALA A 474 -3.439 0.387 5.009 1.00 0.00 C ATOM 781 HA ALA A 474 -2.075 -1.261 5.416 1.00 0.00 H ATOM 782 HB1 ALA A 474 -3.609 0.607 6.063 1.00 0.00 H ATOM 783 HB2 ALA A 474 -3.425 1.317 4.440 1.00 0.00 H ATOM 784 HB3 ALA A 474 -4.237 -0.256 4.637 1.00 0.00 H ATOM 785 H ALA A 474 -0.552 1.156 4.660 1.00 0.00 H ATOM 786 N PHE A 475 -2.476 -1.775 2.903 1.00 0.00 N ATOM 787 CA PHE A 475 -2.572 -2.104 1.479 1.00 0.00 C ATOM 788 C PHE A 475 -3.855 -1.498 0.881 1.00 0.00 C ATOM 789 O PHE A 475 -4.869 -1.371 1.575 1.00 0.00 O ATOM 790 CB PHE A 475 -2.569 -3.626 1.271 1.00 0.00 C ATOM 791 CG PHE A 475 -1.286 -4.335 1.663 1.00 0.00 C ATOM 792 CD1 PHE A 475 -0.107 -4.125 0.921 1.00 0.00 C ATOM 793 CD2 PHE A 475 -1.279 -5.250 2.734 1.00 0.00 C ATOM 794 CE1 PHE A 475 1.076 -4.806 1.260 1.00 0.00 C ATOM 795 CE2 PHE A 475 -0.103 -5.951 3.054 1.00 0.00 C ATOM 796 CZ PHE A 475 1.076 -5.723 2.325 1.00 0.00 C ATOM 797 HA PHE A 475 -1.705 -1.682 0.971 1.00 0.00 H ATOM 798 HB2 PHE A 475 -3.381 -4.048 1.863 1.00 0.00 H ATOM 799 HB3 PHE A 475 -2.752 -3.821 0.214 1.00 0.00 H ATOM 800 HD2 PHE A 475 -2.186 -5.415 3.315 1.00 0.00 H ATOM 801 HE2 PHE A 475 -0.106 -6.674 3.870 1.00 0.00 H ATOM 802 HZ PHE A 475 1.990 -6.257 2.585 1.00 0.00 H ATOM 803 HE1 PHE A 475 1.992 -4.623 0.698 1.00 0.00 H ATOM 804 HD1 PHE A 475 -0.112 -3.431 0.080 1.00 0.00 H ATOM 805 H PHE A 475 -2.914 -2.423 3.588 1.00 0.00 H ATOM 806 N VAL A 476 -3.837 -1.172 -0.416 1.00 0.00 N ATOM 807 CA VAL A 476 -4.983 -0.613 -1.162 1.00 0.00 C ATOM 808 C VAL A 476 -5.068 -1.259 -2.547 1.00 0.00 C ATOM 809 O VAL A 476 -4.094 -1.267 -3.298 1.00 0.00 O ATOM 810 CB VAL A 476 -4.893 0.926 -1.284 1.00 0.00 C ATOM 811 CG1 VAL A 476 -6.078 1.509 -2.071 1.00 0.00 C ATOM 812 CG2 VAL A 476 -4.887 1.605 0.093 1.00 0.00 C ATOM 813 HA VAL A 476 -5.891 -0.840 -0.603 1.00 0.00 H ATOM 814 HB VAL A 476 -3.958 1.123 -1.809 1.00 0.00 H ATOM 815 HG11 VAL A 476 -6.088 1.086 -3.076 1.00 0.00 H ATOM 816 HG12 VAL A 476 -7.009 1.260 -1.561 1.00 0.00 H ATOM 817 HG13 VAL A 476 -5.974 2.592 -2.132 1.00 0.00 H ATOM 818 HG21 VAL A 476 -5.806 1.355 0.624 1.00 0.00 H ATOM 819 HG22 VAL A 476 -4.028 1.255 0.666 1.00 0.00 H ATOM 820 HG23 VAL A 476 -4.823 2.685 -0.036 1.00 0.00 H ATOM 821 H VAL A 476 -2.950 -1.323 -0.938 1.00 0.00 H ATOM 822 N SER A 477 -6.233 -1.806 -2.894 1.00 0.00 N ATOM 823 CA SER A 477 -6.495 -2.458 -4.185 1.00 0.00 C ATOM 824 C SER A 477 -7.140 -1.485 -5.178 1.00 0.00 C ATOM 825 O SER A 477 -8.065 -0.750 -4.815 1.00 0.00 O ATOM 826 CB SER A 477 -7.434 -3.646 -3.968 1.00 0.00 C ATOM 827 OG SER A 477 -7.471 -4.461 -5.125 1.00 0.00 O ATOM 828 HA SER A 477 -5.544 -2.793 -4.598 1.00 0.00 H ATOM 829 HB2 SER A 477 -8.437 -3.277 -3.755 1.00 0.00 H ATOM 830 HB3 SER A 477 -7.078 -4.236 -3.123 1.00 0.00 H ATOM 831 HG SER A 477 -8.082 -5.225 -4.970 1.00 0.00 H ATOM 832 H SER A 477 -7.010 -1.769 -2.204 1.00 0.00 H ATOM 833 N LEU A 478 -6.687 -1.515 -6.435 1.00 0.00 N ATOM 834 CA LEU A 478 -7.199 -0.717 -7.559 1.00 0.00 C ATOM 835 C LEU A 478 -7.657 -1.644 -8.705 1.00 0.00 C ATOM 836 O LEU A 478 -7.242 -2.803 -8.777 1.00 0.00 O ATOM 837 CB LEU A 478 -6.103 0.264 -8.032 1.00 0.00 C ATOM 838 CG LEU A 478 -5.593 1.277 -6.984 1.00 0.00 C ATOM 839 CD1 LEU A 478 -4.586 2.222 -7.637 1.00 0.00 C ATOM 840 CD2 LEU A 478 -6.707 2.147 -6.404 1.00 0.00 C ATOM 841 HA LEU A 478 -8.065 -0.139 -7.236 1.00 0.00 H ATOM 842 HB2 LEU A 478 -5.250 -0.327 -8.366 1.00 0.00 H ATOM 843 HB3 LEU A 478 -6.504 0.829 -8.873 1.00 0.00 H ATOM 844 HG LEU A 478 -5.150 0.688 -6.180 1.00 0.00 H ATOM 845 HD21 LEU A 478 -7.181 2.711 -7.207 1.00 0.00 H ATOM 846 HD22 LEU A 478 -7.447 1.511 -5.918 1.00 0.00 H ATOM 847 HD23 LEU A 478 -6.284 2.837 -5.674 1.00 0.00 H ATOM 848 HD11 LEU A 478 -3.746 1.645 -8.024 1.00 0.00 H ATOM 849 HD12 LEU A 478 -5.069 2.757 -8.455 1.00 0.00 H ATOM 850 HD13 LEU A 478 -4.227 2.936 -6.896 1.00 0.00 H ATOM 851 H LEU A 478 -5.899 -2.163 -6.637 1.00 0.00 H ATOM 852 N SER A 479 -8.525 -1.167 -9.605 1.00 0.00 N ATOM 853 CA SER A 479 -9.155 -2.027 -10.627 1.00 0.00 C ATOM 854 C SER A 479 -8.280 -2.321 -11.860 1.00 0.00 C ATOM 855 O SER A 479 -8.629 -3.199 -12.654 1.00 0.00 O ATOM 856 CB SER A 479 -10.529 -1.480 -11.038 1.00 0.00 C ATOM 857 OG SER A 479 -10.444 -0.215 -11.673 1.00 0.00 O ATOM 858 HA SER A 479 -9.284 -2.994 -10.141 1.00 0.00 H ATOM 859 HB2 SER A 479 -11.147 -1.382 -10.146 1.00 0.00 H ATOM 860 HB3 SER A 479 -10.995 -2.186 -11.726 1.00 0.00 H ATOM 861 HG SER A 479 -10.029 0.437 -11.054 1.00 0.00 H ATOM 862 H SER A 479 -8.764 -0.155 -9.584 1.00 0.00 H ATOM 863 N GLN A 480 -7.135 -1.641 -12.018 1.00 0.00 N ATOM 864 CA GLN A 480 -6.175 -1.841 -13.119 1.00 0.00 C ATOM 865 C GLN A 480 -4.715 -1.625 -12.658 1.00 0.00 C ATOM 866 O GLN A 480 -4.468 -0.779 -11.792 1.00 0.00 O ATOM 867 CB GLN A 480 -6.466 -0.843 -14.258 1.00 0.00 C ATOM 868 CG GLN A 480 -7.833 -1.003 -14.943 1.00 0.00 C ATOM 869 CD GLN A 480 -8.067 0.088 -15.986 1.00 0.00 C ATOM 870 OE1 GLN A 480 -8.108 1.275 -15.679 1.00 0.00 O ATOM 871 NE2 GLN A 480 -8.231 -0.254 -17.247 1.00 0.00 N ATOM 872 HA GLN A 480 -6.291 -2.870 -13.460 1.00 0.00 H ATOM 873 HB2 GLN A 480 -6.413 0.164 -13.845 1.00 0.00 H ATOM 874 HB3 GLN A 480 -5.693 -0.964 -15.017 1.00 0.00 H ATOM 875 HG2 GLN A 480 -7.873 -1.976 -15.433 1.00 0.00 H ATOM 876 HG3 GLN A 480 -8.617 -0.946 -14.188 1.00 0.00 H ATOM 877 HE22 GLN A 480 -8.199 -1.256 -17.522 1.00 0.00 H ATOM 878 HE21 GLN A 480 -8.393 0.478 -17.968 1.00 0.00 H ATOM 879 H GLN A 480 -6.906 -0.916 -11.308 1.00 0.00 H ATOM 880 N PRO A 481 -3.721 -2.293 -13.280 1.00 0.00 N ATOM 881 CA PRO A 481 -2.299 -2.033 -13.030 1.00 0.00 C ATOM 882 C PRO A 481 -1.813 -0.688 -13.610 1.00 0.00 C ATOM 883 O PRO A 481 -0.808 -0.141 -13.157 1.00 0.00 O ATOM 884 CB PRO A 481 -1.563 -3.221 -13.654 1.00 0.00 C ATOM 885 CG PRO A 481 -2.472 -3.634 -14.810 1.00 0.00 C ATOM 886 CD PRO A 481 -3.873 -3.360 -14.263 1.00 0.00 C ATOM 887 HA PRO A 481 -2.105 -1.941 -11.961 1.00 0.00 H ATOM 888 HD3 PRO A 481 -4.538 -3.043 -15.066 1.00 0.00 H ATOM 889 HD2 PRO A 481 -4.277 -4.255 -13.791 1.00 0.00 H ATOM 890 HG3 PRO A 481 -2.345 -4.689 -15.051 1.00 0.00 H ATOM 891 HG2 PRO A 481 -2.274 -3.034 -15.698 1.00 0.00 H ATOM 892 HB2 PRO A 481 -0.580 -2.923 -14.018 1.00 0.00 H ATOM 893 HB3 PRO A 481 -1.453 -4.033 -12.935 1.00 0.00 H ATOM 894 N GLU A 482 -2.534 -0.102 -14.573 1.00 0.00 N ATOM 895 CA GLU A 482 -2.274 1.265 -15.051 1.00 0.00 C ATOM 896 C GLU A 482 -2.533 2.312 -13.950 1.00 0.00 C ATOM 897 O GLU A 482 -1.740 3.235 -13.765 1.00 0.00 O ATOM 898 CB GLU A 482 -3.133 1.533 -16.298 1.00 0.00 C ATOM 899 CG GLU A 482 -2.801 2.874 -16.964 1.00 0.00 C ATOM 900 CD GLU A 482 -3.564 3.035 -18.293 1.00 0.00 C ATOM 901 OE1 GLU A 482 -4.699 3.572 -18.290 1.00 0.00 O ATOM 902 OE2 GLU A 482 -3.031 2.634 -19.358 1.00 0.00 O ATOM 903 HA GLU A 482 -1.221 1.353 -15.317 1.00 0.00 H ATOM 904 HB2 GLU A 482 -2.963 0.733 -17.019 1.00 0.00 H ATOM 905 HB3 GLU A 482 -4.183 1.539 -16.005 1.00 0.00 H ATOM 906 HG2 GLU A 482 -3.081 3.685 -16.292 1.00 0.00 H ATOM 907 HG3 GLU A 482 -1.730 2.919 -17.160 1.00 0.00 H ATOM 908 H GLU A 482 -3.314 -0.638 -15.004 1.00 0.00 H ATOM 909 N GLN A 483 -3.599 2.134 -13.161 1.00 0.00 N ATOM 910 CA GLN A 483 -3.916 2.993 -12.011 1.00 0.00 C ATOM 911 C GLN A 483 -2.842 2.881 -10.913 1.00 0.00 C ATOM 912 O GLN A 483 -2.435 3.892 -10.340 1.00 0.00 O ATOM 913 CB GLN A 483 -5.292 2.614 -11.445 1.00 0.00 C ATOM 914 CG GLN A 483 -6.460 2.808 -12.427 1.00 0.00 C ATOM 915 CD GLN A 483 -7.733 2.111 -11.942 1.00 0.00 C ATOM 916 OE1 GLN A 483 -7.947 1.865 -10.762 1.00 0.00 O ATOM 917 NE2 GLN A 483 -8.610 1.714 -12.833 1.00 0.00 N ATOM 918 HA GLN A 483 -3.935 4.028 -12.354 1.00 0.00 H ATOM 919 HB2 GLN A 483 -5.263 1.564 -11.153 1.00 0.00 H ATOM 920 HB3 GLN A 483 -5.480 3.230 -10.565 1.00 0.00 H ATOM 921 HG2 GLN A 483 -6.660 3.874 -12.532 1.00 0.00 H ATOM 922 HG3 GLN A 483 -6.179 2.395 -13.396 1.00 0.00 H ATOM 923 HE22 GLN A 483 -8.452 1.910 -13.842 1.00 0.00 H ATOM 924 HE21 GLN A 483 -9.464 1.203 -12.531 1.00 0.00 H ATOM 925 H GLN A 483 -4.240 1.343 -13.373 1.00 0.00 H ATOM 926 N VAL A 484 -2.325 1.666 -10.675 1.00 0.00 N ATOM 927 CA VAL A 484 -1.155 1.413 -9.812 1.00 0.00 C ATOM 928 C VAL A 484 0.065 2.206 -10.288 1.00 0.00 C ATOM 929 O VAL A 484 0.664 2.933 -9.497 1.00 0.00 O ATOM 930 CB VAL A 484 -0.853 -0.101 -9.738 1.00 0.00 C ATOM 931 CG1 VAL A 484 0.544 -0.455 -9.216 1.00 0.00 C ATOM 932 CG2 VAL A 484 -1.897 -0.796 -8.862 1.00 0.00 C ATOM 933 HA VAL A 484 -1.392 1.757 -8.805 1.00 0.00 H ATOM 934 HB VAL A 484 -0.893 -0.452 -10.769 1.00 0.00 H ATOM 935 HG11 VAL A 484 1.297 -0.016 -9.871 1.00 0.00 H ATOM 936 HG12 VAL A 484 0.664 -0.061 -8.207 1.00 0.00 H ATOM 937 HG13 VAL A 484 0.661 -1.539 -9.201 1.00 0.00 H ATOM 938 HG21 VAL A 484 -1.867 -0.373 -7.858 1.00 0.00 H ATOM 939 HG22 VAL A 484 -2.888 -0.646 -9.291 1.00 0.00 H ATOM 940 HG23 VAL A 484 -1.678 -1.863 -8.815 1.00 0.00 H ATOM 941 H VAL A 484 -2.779 0.848 -11.129 1.00 0.00 H ATOM 942 N GLN A 485 0.412 2.126 -11.577 1.00 0.00 N ATOM 943 CA GLN A 485 1.549 2.858 -12.145 1.00 0.00 C ATOM 944 C GLN A 485 1.393 4.384 -12.001 1.00 0.00 C ATOM 945 O GLN A 485 2.349 5.066 -11.626 1.00 0.00 O ATOM 946 CB GLN A 485 1.733 2.432 -13.612 1.00 0.00 C ATOM 947 CG GLN A 485 3.017 2.999 -14.236 1.00 0.00 C ATOM 948 CD GLN A 485 3.223 2.484 -15.660 1.00 0.00 C ATOM 949 OE1 GLN A 485 3.770 1.412 -15.893 1.00 0.00 O ATOM 950 NE2 GLN A 485 2.795 3.216 -16.670 1.00 0.00 N ATOM 951 HA GLN A 485 2.448 2.603 -11.584 1.00 0.00 H ATOM 952 HB2 GLN A 485 1.774 1.344 -13.657 1.00 0.00 H ATOM 953 HB3 GLN A 485 0.879 2.786 -14.188 1.00 0.00 H ATOM 954 HG2 GLN A 485 2.950 4.087 -14.259 1.00 0.00 H ATOM 955 HG3 GLN A 485 3.869 2.702 -13.625 1.00 0.00 H ATOM 956 HE22 GLN A 485 2.329 4.128 -16.490 1.00 0.00 H ATOM 957 HE21 GLN A 485 2.924 2.881 -17.646 1.00 0.00 H ATOM 958 H GLN A 485 -0.150 1.517 -12.205 1.00 0.00 H ATOM 959 N ILE A 486 0.190 4.924 -12.233 1.00 0.00 N ATOM 960 CA ILE A 486 -0.120 6.352 -12.041 1.00 0.00 C ATOM 961 C ILE A 486 0.045 6.766 -10.569 1.00 0.00 C ATOM 962 O ILE A 486 0.708 7.766 -10.294 1.00 0.00 O ATOM 963 CB ILE A 486 -1.531 6.678 -12.591 1.00 0.00 C ATOM 964 CG1 ILE A 486 -1.547 6.538 -14.133 1.00 0.00 C ATOM 965 CG2 ILE A 486 -1.978 8.103 -12.204 1.00 0.00 C ATOM 966 CD1 ILE A 486 -2.957 6.455 -14.734 1.00 0.00 C ATOM 967 HA ILE A 486 0.597 6.943 -12.611 1.00 0.00 H ATOM 968 HB ILE A 486 -2.228 5.968 -12.146 1.00 0.00 H ATOM 969 HG12 ILE A 486 -1.041 7.403 -14.562 1.00 0.00 H ATOM 970 HG13 ILE A 486 -1.005 5.631 -14.401 1.00 0.00 H ATOM 971 HD11 ILE A 486 -3.475 5.587 -14.325 1.00 0.00 H ATOM 972 HD12 ILE A 486 -3.510 7.361 -14.485 1.00 0.00 H ATOM 973 HD13 ILE A 486 -2.884 6.358 -15.817 1.00 0.00 H ATOM 974 HG21 ILE A 486 -2.003 8.192 -11.118 1.00 0.00 H ATOM 975 HG22 ILE A 486 -1.273 8.827 -12.613 1.00 0.00 H ATOM 976 HG23 ILE A 486 -2.972 8.293 -12.608 1.00 0.00 H ATOM 977 H ILE A 486 -0.571 4.299 -12.568 1.00 0.00 H ATOM 978 N ALA A 487 -0.491 6.002 -9.612 1.00 0.00 N ATOM 979 CA ALA A 487 -0.352 6.291 -8.180 1.00 0.00 C ATOM 980 C ALA A 487 1.114 6.249 -7.699 1.00 0.00 C ATOM 981 O ALA A 487 1.546 7.116 -6.939 1.00 0.00 O ATOM 982 CB ALA A 487 -1.218 5.294 -7.401 1.00 0.00 C ATOM 983 HA ALA A 487 -0.691 7.311 -7.998 1.00 0.00 H ATOM 984 HB1 ALA A 487 -2.259 5.403 -7.706 1.00 0.00 H ATOM 985 HB2 ALA A 487 -0.881 4.279 -7.612 1.00 0.00 H ATOM 986 HB3 ALA A 487 -1.128 5.493 -6.333 1.00 0.00 H ATOM 987 H ALA A 487 -1.033 5.161 -9.896 1.00 0.00 H ATOM 988 N VAL A 488 1.904 5.279 -8.176 1.00 0.00 N ATOM 989 CA VAL A 488 3.348 5.169 -7.889 1.00 0.00 C ATOM 990 C VAL A 488 4.154 6.320 -8.516 1.00 0.00 C ATOM 991 O VAL A 488 5.122 6.790 -7.917 1.00 0.00 O ATOM 992 CB VAL A 488 3.874 3.791 -8.344 1.00 0.00 C ATOM 993 CG1 VAL A 488 5.399 3.647 -8.251 1.00 0.00 C ATOM 994 CG2 VAL A 488 3.273 2.681 -7.470 1.00 0.00 C ATOM 995 HA VAL A 488 3.484 5.253 -6.811 1.00 0.00 H ATOM 996 HB VAL A 488 3.578 3.705 -9.390 1.00 0.00 H ATOM 997 HG11 VAL A 488 5.873 4.399 -8.882 1.00 0.00 H ATOM 998 HG12 VAL A 488 5.714 3.788 -7.217 1.00 0.00 H ATOM 999 HG13 VAL A 488 5.690 2.652 -8.588 1.00 0.00 H ATOM 1000 HG21 VAL A 488 3.555 2.846 -6.430 1.00 0.00 H ATOM 1001 HG22 VAL A 488 2.187 2.697 -7.560 1.00 0.00 H ATOM 1002 HG23 VAL A 488 3.652 1.714 -7.801 1.00 0.00 H ATOM 1003 H VAL A 488 1.473 4.557 -8.788 1.00 0.00 H ATOM 1004 N ASN A 489 3.756 6.824 -9.690 1.00 0.00 N ATOM 1005 CA ASN A 489 4.376 8.007 -10.296 1.00 0.00 C ATOM 1006 C ASN A 489 4.042 9.300 -9.525 1.00 0.00 C ATOM 1007 O ASN A 489 4.923 10.110 -9.236 1.00 0.00 O ATOM 1008 CB ASN A 489 3.928 8.114 -11.765 1.00 0.00 C ATOM 1009 CG ASN A 489 4.678 9.206 -12.516 1.00 0.00 C ATOM 1010 OD1 ASN A 489 5.895 9.326 -12.443 1.00 0.00 O ATOM 1011 ND2 ASN A 489 3.986 10.042 -13.255 1.00 0.00 N ATOM 1012 HA ASN A 489 5.459 7.889 -10.248 1.00 0.00 H ATOM 1013 HB2 ASN A 489 4.110 7.159 -12.258 1.00 0.00 H ATOM 1014 HB3 ASN A 489 2.862 8.338 -11.792 1.00 0.00 H ATOM 1015 HD22 ASN A 489 2.953 9.945 -13.321 1.00 0.00 H ATOM 1016 HD21 ASN A 489 4.471 10.801 -13.775 1.00 0.00 H ATOM 1017 H ASN A 489 2.975 6.358 -10.194 1.00 0.00 H ATOM 1018 N THR A 490 2.769 9.495 -9.178 1.00 0.00 N ATOM 1019 CA THR A 490 2.261 10.725 -8.541 1.00 0.00 C ATOM 1020 C THR A 490 2.655 10.874 -7.067 1.00 0.00 C ATOM 1021 O THR A 490 2.779 11.999 -6.577 1.00 0.00 O ATOM 1022 CB THR A 490 0.733 10.839 -8.690 1.00 0.00 C ATOM 1023 OG1 THR A 490 0.067 9.662 -8.306 1.00 0.00 O ATOM 1024 CG2 THR A 490 0.341 11.142 -10.138 1.00 0.00 C ATOM 1025 HA THR A 490 2.744 11.543 -9.076 1.00 0.00 H ATOM 1026 HB THR A 490 0.433 11.654 -8.032 1.00 0.00 H ATOM 1027 HG1 THR A 490 0.374 8.910 -8.872 1.00 0.00 H ATOM 1028 HG23 THR A 490 0.843 12.052 -10.466 1.00 0.00 H ATOM 1029 HG21 THR A 490 0.640 10.310 -10.776 1.00 0.00 H ATOM 1030 HG22 THR A 490 -0.739 11.279 -10.200 1.00 0.00 H ATOM 1031 H THR A 490 2.090 8.730 -9.369 1.00 0.00 H ATOM 1032 N SER A 491 2.927 9.775 -6.356 1.00 0.00 N ATOM 1033 CA SER A 491 3.350 9.796 -4.945 1.00 0.00 C ATOM 1034 C SER A 491 4.728 10.428 -4.697 1.00 0.00 C ATOM 1035 O SER A 491 4.994 10.885 -3.583 1.00 0.00 O ATOM 1036 CB SER A 491 3.315 8.381 -4.374 1.00 0.00 C ATOM 1037 OG SER A 491 4.399 7.607 -4.860 1.00 0.00 O ATOM 1038 HA SER A 491 2.636 10.440 -4.432 1.00 0.00 H ATOM 1039 HB2 SER A 491 2.379 7.903 -4.663 1.00 0.00 H ATOM 1040 HB3 SER A 491 3.374 8.434 -3.287 1.00 0.00 H ATOM 1041 HG SER A 491 4.352 6.696 -4.475 1.00 0.00 H ATOM 1042 H SER A 491 2.835 8.852 -6.826 1.00 0.00 H ATOM 1043 N LYS A 492 5.586 10.531 -5.725 1.00 0.00 N ATOM 1044 CA LYS A 492 6.892 11.224 -5.669 1.00 0.00 C ATOM 1045 C LYS A 492 6.792 12.700 -5.253 1.00 0.00 C ATOM 1046 O LYS A 492 7.767 13.260 -4.748 1.00 0.00 O ATOM 1047 CB LYS A 492 7.605 11.109 -7.029 1.00 0.00 C ATOM 1048 CG LYS A 492 8.072 9.673 -7.328 1.00 0.00 C ATOM 1049 CD LYS A 492 8.819 9.557 -8.667 1.00 0.00 C ATOM 1050 CE LYS A 492 7.864 9.778 -9.845 1.00 0.00 C ATOM 1051 NZ LYS A 492 8.518 9.573 -11.160 1.00 0.00 N ATOM 1052 HA LYS A 492 7.471 10.725 -4.892 1.00 0.00 H ATOM 1053 HB2 LYS A 492 6.916 11.424 -7.813 1.00 0.00 H ATOM 1054 HB3 LYS A 492 8.474 11.766 -7.025 1.00 0.00 H ATOM 1055 HG2 LYS A 492 8.738 9.349 -6.528 1.00 0.00 H ATOM 1056 HG3 LYS A 492 7.199 9.021 -7.358 1.00 0.00 H ATOM 1057 HD2 LYS A 492 9.609 10.307 -8.702 1.00 0.00 H ATOM 1058 HD3 LYS A 492 9.260 8.563 -8.746 1.00 0.00 H ATOM 1059 HE2 LYS A 492 7.485 10.799 -9.800 1.00 0.00 H ATOM 1060 HE3 LYS A 492 7.033 9.078 -9.756 1.00 0.00 H ATOM 1061 HZ1 LYS A 492 9.308 10.242 -11.261 1.00 0.00 H ATOM 1062 HZ2 LYS A 492 8.877 8.599 -11.219 1.00 0.00 H ATOM 1063 HZ3 LYS A 492 7.826 9.736 -11.919 1.00 0.00 H ATOM 1064 H LYS A 492 5.312 10.091 -6.627 1.00 0.00 H ATOM 1065 N TYR A 493 5.622 13.317 -5.432 1.00 0.00 N ATOM 1066 CA TYR A 493 5.346 14.721 -5.101 1.00 0.00 C ATOM 1067 C TYR A 493 4.635 14.903 -3.742 1.00 0.00 C ATOM 1068 O TYR A 493 4.435 16.037 -3.297 1.00 0.00 O ATOM 1069 CB TYR A 493 4.520 15.338 -6.244 1.00 0.00 C ATOM 1070 CG TYR A 493 5.064 15.056 -7.638 1.00 0.00 C ATOM 1071 CD1 TYR A 493 6.349 15.509 -8.000 1.00 0.00 C ATOM 1072 CD2 TYR A 493 4.301 14.307 -8.556 1.00 0.00 C ATOM 1073 CE1 TYR A 493 6.873 15.203 -9.271 1.00 0.00 C ATOM 1074 CE2 TYR A 493 4.822 13.998 -9.828 1.00 0.00 C ATOM 1075 CZ TYR A 493 6.114 14.444 -10.189 1.00 0.00 C ATOM 1076 OH TYR A 493 6.630 14.151 -11.414 1.00 0.00 O ATOM 1077 HA TYR A 493 6.301 15.237 -4.997 1.00 0.00 H ATOM 1078 HB3 TYR A 493 4.493 16.418 -6.101 1.00 0.00 H ATOM 1079 HB2 TYR A 493 3.507 14.940 -6.186 1.00 0.00 H ATOM 1080 HD2 TYR A 493 3.303 13.965 -8.281 1.00 0.00 H ATOM 1081 HE2 TYR A 493 4.229 13.415 -10.533 1.00 0.00 H ATOM 1082 HE1 TYR A 493 7.868 15.553 -9.547 1.00 0.00 H ATOM 1083 HD1 TYR A 493 6.938 16.097 -7.296 1.00 0.00 H ATOM 1084 HH TYR A 493 7.537 14.541 -11.491 1.00 0.00 H ATOM 1085 H TYR A 493 4.844 12.759 -5.838 1.00 0.00 H ATOM 1086 N ALA A 494 4.245 13.809 -3.074 1.00 0.00 N ATOM 1087 CA ALA A 494 3.562 13.828 -1.780 1.00 0.00 C ATOM 1088 C ALA A 494 4.523 14.110 -0.608 1.00 0.00 C ATOM 1089 O ALA A 494 5.664 13.638 -0.595 1.00 0.00 O ATOM 1090 CB ALA A 494 2.866 12.476 -1.590 1.00 0.00 C ATOM 1091 HA ALA A 494 2.836 14.641 -1.780 1.00 0.00 H ATOM 1092 HB1 ALA A 494 2.146 12.324 -2.394 1.00 0.00 H ATOM 1093 HB2 ALA A 494 3.610 11.680 -1.611 1.00 0.00 H ATOM 1094 HB3 ALA A 494 2.349 12.467 -0.630 1.00 0.00 H ATOM 1095 H ALA A 494 4.441 12.883 -3.505 1.00 0.00 H ATOM 1096 N GLU A 495 4.033 14.823 0.412 1.00 0.00 N ATOM 1097 CA GLU A 495 4.803 15.230 1.607 1.00 0.00 C ATOM 1098 C GLU A 495 4.112 14.902 2.951 1.00 0.00 C ATOM 1099 O GLU A 495 4.681 15.151 4.018 1.00 0.00 O ATOM 1100 CB GLU A 495 5.178 16.721 1.497 1.00 0.00 C ATOM 1101 CG GLU A 495 3.975 17.674 1.545 1.00 0.00 C ATOM 1102 CD GLU A 495 4.434 19.142 1.446 1.00 0.00 C ATOM 1103 OE1 GLU A 495 4.749 19.761 2.494 1.00 0.00 O ATOM 1104 OE2 GLU A 495 4.479 19.698 0.320 1.00 0.00 O ATOM 1105 HA GLU A 495 5.712 14.628 1.620 1.00 0.00 H ATOM 1106 HB2 GLU A 495 5.845 16.969 2.323 1.00 0.00 H ATOM 1107 HB3 GLU A 495 5.700 16.875 0.552 1.00 0.00 H ATOM 1108 HG2 GLU A 495 3.309 17.451 0.712 1.00 0.00 H ATOM 1109 HG3 GLU A 495 3.441 17.529 2.484 1.00 0.00 H ATOM 1110 H GLU A 495 3.036 15.113 0.361 1.00 0.00 H ATOM 1111 N SER A 496 2.922 14.290 2.904 1.00 0.00 N ATOM 1112 CA SER A 496 2.126 13.855 4.072 1.00 0.00 C ATOM 1113 C SER A 496 1.725 12.369 4.007 1.00 0.00 C ATOM 1114 O SER A 496 1.051 11.865 4.905 1.00 0.00 O ATOM 1115 CB SER A 496 0.868 14.727 4.216 1.00 0.00 C ATOM 1116 OG SER A 496 1.204 16.102 4.347 1.00 0.00 O ATOM 1117 HA SER A 496 2.766 13.977 4.946 1.00 0.00 H ATOM 1118 HB2 SER A 496 0.316 14.410 5.101 1.00 0.00 H ATOM 1119 HB3 SER A 496 0.242 14.597 3.333 1.00 0.00 H ATOM 1120 HG SER A 496 0.375 16.636 4.438 1.00 0.00 H ATOM 1121 H SER A 496 2.522 14.104 1.962 1.00 0.00 H ATOM 1122 N TYR A 497 2.142 11.664 2.951 1.00 0.00 N ATOM 1123 CA TYR A 497 1.965 10.228 2.709 1.00 0.00 C ATOM 1124 C TYR A 497 2.976 9.750 1.644 1.00 0.00 C ATOM 1125 O TYR A 497 3.644 10.568 0.999 1.00 0.00 O ATOM 1126 CB TYR A 497 0.520 9.942 2.250 1.00 0.00 C ATOM 1127 CG TYR A 497 0.148 10.554 0.908 1.00 0.00 C ATOM 1128 CD1 TYR A 497 -0.342 11.874 0.841 1.00 0.00 C ATOM 1129 CD2 TYR A 497 0.320 9.810 -0.277 1.00 0.00 C ATOM 1130 CE1 TYR A 497 -0.642 12.458 -0.405 1.00 0.00 C ATOM 1131 CE2 TYR A 497 0.034 10.394 -1.526 1.00 0.00 C ATOM 1132 CZ TYR A 497 -0.447 11.720 -1.594 1.00 0.00 C ATOM 1133 OH TYR A 497 -0.709 12.282 -2.806 1.00 0.00 O ATOM 1134 HA TYR A 497 2.147 9.683 3.635 1.00 0.00 H ATOM 1135 HB3 TYR A 497 -0.161 10.337 3.004 1.00 0.00 H ATOM 1136 HB2 TYR A 497 0.394 8.862 2.178 1.00 0.00 H ATOM 1137 HD2 TYR A 497 0.675 8.781 -0.226 1.00 0.00 H ATOM 1138 HE2 TYR A 497 0.184 9.822 -2.442 1.00 0.00 H ATOM 1139 HE1 TYR A 497 -1.024 13.478 -0.452 1.00 0.00 H ATOM 1140 HD1 TYR A 497 -0.489 12.445 1.758 1.00 0.00 H ATOM 1141 HH TYR A 497 -1.036 13.207 -2.676 1.00 0.00 H ATOM 1142 H TYR A 497 2.651 12.195 2.216 1.00 0.00 H ATOM 1143 N ARG A 498 3.072 8.434 1.424 1.00 0.00 N ATOM 1144 CA ARG A 498 3.818 7.817 0.309 1.00 0.00 C ATOM 1145 C ARG A 498 3.162 6.502 -0.135 1.00 0.00 C ATOM 1146 O ARG A 498 2.457 5.867 0.649 1.00 0.00 O ATOM 1147 CB ARG A 498 5.292 7.638 0.737 1.00 0.00 C ATOM 1148 CG ARG A 498 6.295 7.368 -0.402 1.00 0.00 C ATOM 1149 CD ARG A 498 6.307 8.413 -1.536 1.00 0.00 C ATOM 1150 NE ARG A 498 6.524 9.797 -1.062 1.00 0.00 N ATOM 1151 CZ ARG A 498 7.678 10.388 -0.808 1.00 0.00 C ATOM 1152 NH1 ARG A 498 8.814 9.748 -0.853 1.00 0.00 N ATOM 1153 NH2 ARG A 498 7.722 11.651 -0.502 1.00 0.00 N ATOM 1154 HA ARG A 498 3.793 8.469 -0.564 1.00 0.00 H ATOM 1155 HB2 ARG A 498 5.604 8.548 1.249 1.00 0.00 H ATOM 1156 HB3 ARG A 498 5.339 6.798 1.430 1.00 0.00 H ATOM 1157 HG2 ARG A 498 7.294 7.331 0.032 1.00 0.00 H ATOM 1158 HG3 ARG A 498 6.054 6.399 -0.840 1.00 0.00 H ATOM 1159 HD2 ARG A 498 5.349 8.372 -2.053 1.00 0.00 H ATOM 1160 HD3 ARG A 498 7.106 8.157 -2.232 1.00 0.00 H ATOM 1161 HE ARG A 498 5.670 10.371 -0.911 1.00 0.00 H ATOM 1162 HH12 ARG A 498 9.702 10.249 -0.646 1.00 0.00 H ATOM 1163 HH11 ARG A 498 8.832 8.737 -1.095 1.00 0.00 H ATOM 1164 HH22 ARG A 498 8.636 12.107 -0.304 1.00 0.00 H ATOM 1165 HH21 ARG A 498 6.843 12.206 -0.455 1.00 0.00 H ATOM 1166 H ARG A 498 2.585 7.798 2.088 1.00 0.00 H ATOM 1167 N ILE A 499 3.384 6.108 -1.392 1.00 0.00 N ATOM 1168 CA ILE A 499 2.752 4.957 -2.066 1.00 0.00 C ATOM 1169 C ILE A 499 3.825 4.155 -2.820 1.00 0.00 C ATOM 1170 O ILE A 499 4.714 4.739 -3.445 1.00 0.00 O ATOM 1171 CB ILE A 499 1.654 5.433 -3.054 1.00 0.00 C ATOM 1172 CG1 ILE A 499 0.557 6.277 -2.363 1.00 0.00 C ATOM 1173 CG2 ILE A 499 1.018 4.251 -3.802 1.00 0.00 C ATOM 1174 CD1 ILE A 499 -0.406 6.980 -3.327 1.00 0.00 C ATOM 1175 HA ILE A 499 2.282 4.323 -1.314 1.00 0.00 H ATOM 1176 HB ILE A 499 2.157 6.075 -3.777 1.00 0.00 H ATOM 1177 HG12 ILE A 499 -0.026 5.618 -1.720 1.00 0.00 H ATOM 1178 HG13 ILE A 499 1.045 7.038 -1.754 1.00 0.00 H ATOM 1179 HD11 ILE A 499 0.156 7.656 -3.971 1.00 0.00 H ATOM 1180 HD12 ILE A 499 -0.916 6.234 -3.937 1.00 0.00 H ATOM 1181 HD13 ILE A 499 -1.140 7.548 -2.755 1.00 0.00 H ATOM 1182 HG21 ILE A 499 1.787 3.725 -4.368 1.00 0.00 H ATOM 1183 HG22 ILE A 499 0.564 3.570 -3.083 1.00 0.00 H ATOM 1184 HG23 ILE A 499 0.254 4.623 -4.484 1.00 0.00 H ATOM 1185 H ILE A 499 4.065 6.664 -1.947 1.00 0.00 H ATOM 1186 N GLN A 500 3.706 2.827 -2.804 1.00 0.00 N ATOM 1187 CA GLN A 500 4.511 1.873 -3.579 1.00 0.00 C ATOM 1188 C GLN A 500 3.660 0.654 -3.989 1.00 0.00 C ATOM 1189 O GLN A 500 2.548 0.486 -3.486 1.00 0.00 O ATOM 1190 CB GLN A 500 5.746 1.471 -2.754 1.00 0.00 C ATOM 1191 CG GLN A 500 5.426 0.693 -1.464 1.00 0.00 C ATOM 1192 CD GLN A 500 6.664 0.426 -0.612 1.00 0.00 C ATOM 1193 OE1 GLN A 500 7.800 0.488 -1.063 1.00 0.00 O ATOM 1194 NE2 GLN A 500 6.502 0.135 0.659 1.00 0.00 N ATOM 1195 HA GLN A 500 4.855 2.339 -4.503 1.00 0.00 H ATOM 1196 HB2 GLN A 500 6.385 0.847 -3.379 1.00 0.00 H ATOM 1197 HB3 GLN A 500 6.283 2.379 -2.480 1.00 0.00 H ATOM 1198 HG2 GLN A 500 4.716 1.273 -0.875 1.00 0.00 H ATOM 1199 HG3 GLN A 500 4.977 -0.262 -1.735 1.00 0.00 H ATOM 1200 HE22 GLN A 500 5.545 0.078 1.061 1.00 0.00 H ATOM 1201 HE21 GLN A 500 7.331 -0.038 1.263 1.00 0.00 H ATOM 1202 H GLN A 500 2.973 2.428 -2.183 1.00 0.00 H ATOM 1203 N THR A 501 4.140 -0.212 -4.885 1.00 0.00 N ATOM 1204 CA THR A 501 3.429 -1.469 -5.215 1.00 0.00 C ATOM 1205 C THR A 501 3.500 -2.497 -4.075 1.00 0.00 C ATOM 1206 O THR A 501 4.366 -2.424 -3.196 1.00 0.00 O ATOM 1207 CB THR A 501 3.950 -2.121 -6.508 1.00 0.00 C ATOM 1208 OG1 THR A 501 5.245 -2.640 -6.321 1.00 0.00 O ATOM 1209 CG2 THR A 501 4.002 -1.157 -7.690 1.00 0.00 C ATOM 1210 HA THR A 501 2.390 -1.176 -5.365 1.00 0.00 H ATOM 1211 HB THR A 501 3.239 -2.914 -6.737 1.00 0.00 H ATOM 1212 HG1 THR A 501 5.559 -3.053 -7.164 1.00 0.00 H ATOM 1213 HG23 THR A 501 3.010 -0.738 -7.859 1.00 0.00 H ATOM 1214 HG21 THR A 501 4.705 -0.353 -7.471 1.00 0.00 H ATOM 1215 HG22 THR A 501 4.328 -1.694 -8.581 1.00 0.00 H ATOM 1216 H THR A 501 5.038 0.002 -5.364 1.00 0.00 H ATOM 1217 N TYR A 502 2.625 -3.508 -4.105 1.00 0.00 N ATOM 1218 CA TYR A 502 2.730 -4.678 -3.220 1.00 0.00 C ATOM 1219 C TYR A 502 4.088 -5.394 -3.378 1.00 0.00 C ATOM 1220 O TYR A 502 4.715 -5.783 -2.391 1.00 0.00 O ATOM 1221 CB TYR A 502 1.563 -5.631 -3.522 1.00 0.00 C ATOM 1222 CG TYR A 502 1.495 -6.845 -2.612 1.00 0.00 C ATOM 1223 CD1 TYR A 502 2.269 -7.990 -2.892 1.00 0.00 C ATOM 1224 CD2 TYR A 502 0.654 -6.829 -1.482 1.00 0.00 C ATOM 1225 CE1 TYR A 502 2.221 -9.106 -2.033 1.00 0.00 C ATOM 1226 CE2 TYR A 502 0.602 -7.942 -0.622 1.00 0.00 C ATOM 1227 CZ TYR A 502 1.389 -9.083 -0.891 1.00 0.00 C ATOM 1228 OH TYR A 502 1.333 -10.157 -0.057 1.00 0.00 O ATOM 1229 HA TYR A 502 2.673 -4.346 -2.183 1.00 0.00 H ATOM 1230 HB3 TYR A 502 1.664 -5.980 -4.550 1.00 0.00 H ATOM 1231 HB2 TYR A 502 0.632 -5.074 -3.419 1.00 0.00 H ATOM 1232 HD2 TYR A 502 0.042 -5.952 -1.273 1.00 0.00 H ATOM 1233 HE2 TYR A 502 -0.047 -7.923 0.253 1.00 0.00 H ATOM 1234 HE1 TYR A 502 2.826 -9.987 -2.249 1.00 0.00 H ATOM 1235 HD1 TYR A 502 2.907 -8.012 -3.776 1.00 0.00 H ATOM 1236 HH TYR A 502 1.942 -10.863 -0.389 1.00 0.00 H ATOM 1237 H TYR A 502 1.837 -3.465 -4.783 1.00 0.00 H ATOM 1238 N ALA A 503 4.578 -5.526 -4.618 1.00 0.00 N ATOM 1239 CA ALA A 503 5.873 -6.137 -4.920 1.00 0.00 C ATOM 1240 C ALA A 503 7.065 -5.332 -4.362 1.00 0.00 C ATOM 1241 O ALA A 503 8.027 -5.925 -3.870 1.00 0.00 O ATOM 1242 CB ALA A 503 5.983 -6.320 -6.438 1.00 0.00 C ATOM 1243 HA ALA A 503 5.921 -7.105 -4.421 1.00 0.00 H ATOM 1244 HB1 ALA A 503 5.176 -6.966 -6.784 1.00 0.00 H ATOM 1245 HB2 ALA A 503 5.907 -5.348 -6.926 1.00 0.00 H ATOM 1246 HB3 ALA A 503 6.944 -6.775 -6.679 1.00 0.00 H ATOM 1247 H ALA A 503 4.005 -5.174 -5.411 1.00 0.00 H ATOM 1248 N GLU A 504 7.004 -3.994 -4.370 1.00 0.00 N ATOM 1249 CA GLU A 504 7.999 -3.146 -3.700 1.00 0.00 C ATOM 1250 C GLU A 504 7.994 -3.338 -2.178 1.00 0.00 C ATOM 1251 O GLU A 504 9.066 -3.450 -1.585 1.00 0.00 O ATOM 1252 CB GLU A 504 7.772 -1.662 -4.017 1.00 0.00 C ATOM 1253 CG GLU A 504 8.336 -1.239 -5.375 1.00 0.00 C ATOM 1254 CD GLU A 504 8.268 0.292 -5.507 1.00 0.00 C ATOM 1255 OE1 GLU A 504 9.204 0.973 -5.017 1.00 0.00 O ATOM 1256 OE2 GLU A 504 7.272 0.815 -6.062 1.00 0.00 O ATOM 1257 HA GLU A 504 8.970 -3.456 -4.086 1.00 0.00 H ATOM 1258 HB2 GLU A 504 6.700 -1.467 -4.012 1.00 0.00 H ATOM 1259 HB3 GLU A 504 8.252 -1.065 -3.242 1.00 0.00 H ATOM 1260 HG2 GLU A 504 9.373 -1.565 -5.455 1.00 0.00 H ATOM 1261 HG3 GLU A 504 7.750 -1.699 -6.171 1.00 0.00 H ATOM 1262 H GLU A 504 6.218 -3.535 -4.873 1.00 0.00 H ATOM 1263 N TYR A 505 6.822 -3.430 -1.539 1.00 0.00 N ATOM 1264 CA TYR A 505 6.732 -3.724 -0.102 1.00 0.00 C ATOM 1265 C TYR A 505 7.386 -5.074 0.253 1.00 0.00 C ATOM 1266 O TYR A 505 8.208 -5.146 1.169 1.00 0.00 O ATOM 1267 CB TYR A 505 5.269 -3.671 0.356 1.00 0.00 C ATOM 1268 CG TYR A 505 5.096 -4.043 1.815 1.00 0.00 C ATOM 1269 CD1 TYR A 505 5.357 -3.089 2.817 1.00 0.00 C ATOM 1270 CD2 TYR A 505 4.740 -5.359 2.173 1.00 0.00 C ATOM 1271 CE1 TYR A 505 5.250 -3.443 4.175 1.00 0.00 C ATOM 1272 CE2 TYR A 505 4.646 -5.721 3.530 1.00 0.00 C ATOM 1273 CZ TYR A 505 4.898 -4.761 4.536 1.00 0.00 C ATOM 1274 OH TYR A 505 4.827 -5.101 5.852 1.00 0.00 O ATOM 1275 HA TYR A 505 7.292 -2.958 0.435 1.00 0.00 H ATOM 1276 HB3 TYR A 505 4.688 -4.365 -0.252 1.00 0.00 H ATOM 1277 HB2 TYR A 505 4.894 -2.658 0.208 1.00 0.00 H ATOM 1278 HD2 TYR A 505 4.537 -6.098 1.398 1.00 0.00 H ATOM 1279 HE2 TYR A 505 4.379 -6.741 3.805 1.00 0.00 H ATOM 1280 HE1 TYR A 505 5.439 -2.699 4.948 1.00 0.00 H ATOM 1281 HD1 TYR A 505 5.643 -2.074 2.540 1.00 0.00 H ATOM 1282 HH TYR A 505 5.032 -4.308 6.408 1.00 0.00 H ATOM 1283 H TYR A 505 5.944 -3.288 -2.078 1.00 0.00 H ATOM 1284 N VAL A 506 7.091 -6.130 -0.517 1.00 0.00 N ATOM 1285 CA VAL A 506 7.729 -7.457 -0.399 1.00 0.00 C ATOM 1286 C VAL A 506 9.250 -7.384 -0.593 1.00 0.00 C ATOM 1287 O VAL A 506 10.005 -7.954 0.196 1.00 0.00 O ATOM 1288 CB VAL A 506 7.091 -8.433 -1.411 1.00 0.00 C ATOM 1289 CG1 VAL A 506 7.905 -9.716 -1.623 1.00 0.00 C ATOM 1290 CG2 VAL A 506 5.682 -8.824 -0.950 1.00 0.00 C ATOM 1291 HA VAL A 506 7.558 -7.825 0.613 1.00 0.00 H ATOM 1292 HB VAL A 506 7.062 -7.900 -2.361 1.00 0.00 H ATOM 1293 HG11 VAL A 506 8.896 -9.459 -1.998 1.00 0.00 H ATOM 1294 HG12 VAL A 506 8.000 -10.245 -0.675 1.00 0.00 H ATOM 1295 HG13 VAL A 506 7.396 -10.353 -2.346 1.00 0.00 H ATOM 1296 HG21 VAL A 506 5.741 -9.307 0.025 1.00 0.00 H ATOM 1297 HG22 VAL A 506 5.064 -7.929 -0.877 1.00 0.00 H ATOM 1298 HG23 VAL A 506 5.243 -9.512 -1.672 1.00 0.00 H ATOM 1299 H VAL A 506 6.362 -6.007 -1.249 1.00 0.00 H ATOM 1300 N GLY A 507 9.716 -6.646 -1.603 1.00 0.00 N ATOM 1301 CA GLY A 507 11.139 -6.480 -1.920 1.00 0.00 C ATOM 1302 C GLY A 507 11.934 -5.626 -0.916 1.00 0.00 C ATOM 1303 O GLY A 507 13.165 -5.584 -0.987 1.00 0.00 O ATOM 1304 HA3 GLY A 507 11.215 -6.008 -2.900 1.00 0.00 H ATOM 1305 HA2 GLY A 507 11.595 -7.469 -1.958 1.00 0.00 H ATOM 1306 H GLY A 507 9.024 -6.156 -2.205 1.00 0.00 H ATOM 1307 N LYS A 508 11.247 -4.968 0.029 1.00 0.00 N ATOM 1308 CA LYS A 508 11.799 -4.108 1.097 1.00 0.00 C ATOM 1309 C LYS A 508 11.499 -4.644 2.512 1.00 0.00 C ATOM 1310 O LYS A 508 11.764 -3.954 3.498 1.00 0.00 O ATOM 1311 CB LYS A 508 11.274 -2.671 0.905 1.00 0.00 C ATOM 1312 CG LYS A 508 11.726 -2.029 -0.421 1.00 0.00 C ATOM 1313 CD LYS A 508 10.981 -0.710 -0.666 1.00 0.00 C ATOM 1314 CE LYS A 508 11.082 -0.291 -2.138 1.00 0.00 C ATOM 1315 NZ LYS A 508 10.261 0.914 -2.409 1.00 0.00 N ATOM 1316 HA LYS A 508 12.886 -4.111 1.013 1.00 0.00 H ATOM 1317 HB2 LYS A 508 10.184 -2.695 0.924 1.00 0.00 H ATOM 1318 HB3 LYS A 508 11.637 -2.057 1.729 1.00 0.00 H ATOM 1319 HG2 LYS A 508 12.797 -1.833 -0.377 1.00 0.00 H ATOM 1320 HG3 LYS A 508 11.517 -2.716 -1.241 1.00 0.00 H ATOM 1321 HD2 LYS A 508 9.931 -0.838 -0.402 1.00 0.00 H ATOM 1322 HD3 LYS A 508 11.419 0.069 -0.042 1.00 0.00 H ATOM 1323 HE2 LYS A 508 10.731 -1.110 -2.766 1.00 0.00 H ATOM 1324 HE3 LYS A 508 12.123 -0.073 -2.376 1.00 0.00 H ATOM 1325 HZ1 LYS A 508 9.265 0.710 -2.189 1.00 0.00 H ATOM 1326 HZ2 LYS A 508 10.595 1.700 -1.816 1.00 0.00 H ATOM 1327 HZ3 LYS A 508 10.349 1.174 -3.412 1.00 0.00 H ATOM 1328 H LYS A 508 10.213 -5.074 0.008 1.00 0.00 H ATOM 1329 N LYS A 509 10.954 -5.867 2.626 1.00 0.00 N ATOM 1330 CA LYS A 509 10.544 -6.540 3.880 1.00 0.00 C ATOM 1331 C LYS A 509 11.651 -6.614 4.949 1.00 0.00 C ATOM 1332 O LYS A 509 11.358 -6.591 6.144 1.00 0.00 O ATOM 1333 CB LYS A 509 9.987 -7.927 3.510 1.00 0.00 C ATOM 1334 CG LYS A 509 9.298 -8.648 4.680 1.00 0.00 C ATOM 1335 CD LYS A 509 8.644 -9.974 4.261 1.00 0.00 C ATOM 1336 CE LYS A 509 9.677 -11.007 3.789 1.00 0.00 C ATOM 1337 NZ LYS A 509 9.040 -12.312 3.473 1.00 0.00 N ATOM 1338 HA LYS A 509 9.772 -5.938 4.359 1.00 0.00 H ATOM 1339 HB2 LYS A 509 9.261 -7.804 2.706 1.00 0.00 H ATOM 1340 HB3 LYS A 509 10.812 -8.548 3.161 1.00 0.00 H ATOM 1341 HG2 LYS A 509 10.042 -8.854 5.449 1.00 0.00 H ATOM 1342 HG3 LYS A 509 8.528 -7.993 5.088 1.00 0.00 H ATOM 1343 HD2 LYS A 509 8.102 -10.383 5.114 1.00 0.00 H ATOM 1344 HD3 LYS A 509 7.945 -9.779 3.448 1.00 0.00 H ATOM 1345 HE2 LYS A 509 10.415 -11.155 4.577 1.00 0.00 H ATOM 1346 HE3 LYS A 509 10.173 -10.629 2.895 1.00 0.00 H ATOM 1347 HZ1 LYS A 509 8.570 -12.682 4.324 1.00 0.00 H ATOM 1348 HZ2 LYS A 509 8.338 -12.180 2.717 1.00 0.00 H ATOM 1349 HZ3 LYS A 509 9.768 -12.984 3.158 1.00 0.00 H ATOM 1350 H LYS A 509 10.805 -6.395 1.743 1.00 0.00 H ATOM 1351 N GLN A 510 12.918 -6.629 4.532 1.00 0.00 N ATOM 1352 CA GLN A 510 14.133 -6.472 5.350 1.00 0.00 C ATOM 1353 C GLN A 510 14.324 -5.026 5.891 1.00 0.00 C ATOM 1354 O GLN A 510 15.399 -4.432 5.778 1.00 0.00 O ATOM 1355 CB GLN A 510 15.352 -7.040 4.580 1.00 0.00 C ATOM 1356 CG GLN A 510 15.848 -6.317 3.303 1.00 0.00 C ATOM 1357 CD GLN A 510 14.938 -6.384 2.074 1.00 0.00 C ATOM 1358 OE1 GLN A 510 13.985 -7.147 1.981 1.00 0.00 O ATOM 1359 NE2 GLN A 510 15.186 -5.569 1.073 1.00 0.00 N ATOM 1360 HA GLN A 510 14.024 -7.062 6.260 1.00 0.00 H ATOM 1361 HB2 GLN A 510 16.188 -7.060 5.279 1.00 0.00 H ATOM 1362 HB3 GLN A 510 15.098 -8.059 4.290 1.00 0.00 H ATOM 1363 HG2 GLN A 510 15.988 -5.265 3.553 1.00 0.00 H ATOM 1364 HG3 GLN A 510 16.807 -6.755 3.027 1.00 0.00 H ATOM 1365 HE22 GLN A 510 15.989 -4.910 1.125 1.00 0.00 H ATOM 1366 HE21 GLN A 510 14.579 -5.583 0.229 1.00 0.00 H ATOM 1367 H GLN A 510 13.065 -6.768 3.512 1.00 0.00 H ATOM 1368 N LYS A 511 13.257 -4.439 6.456 1.00 0.00 N ATOM 1369 CA LYS A 511 13.103 -3.016 6.831 1.00 0.00 C ATOM 1370 C LYS A 511 14.257 -2.406 7.642 1.00 0.00 C ATOM 1371 O LYS A 511 14.604 -1.246 7.411 1.00 0.00 O ATOM 1372 CB LYS A 511 11.773 -2.835 7.590 1.00 0.00 C ATOM 1373 CG LYS A 511 10.532 -3.123 6.724 1.00 0.00 C ATOM 1374 CD LYS A 511 9.253 -3.136 7.573 1.00 0.00 C ATOM 1375 CE LYS A 511 8.060 -3.598 6.728 1.00 0.00 C ATOM 1376 NZ LYS A 511 6.829 -3.729 7.550 1.00 0.00 N ATOM 1377 HA LYS A 511 13.112 -2.467 5.890 1.00 0.00 H ATOM 1378 HB2 LYS A 511 11.766 -3.515 8.442 1.00 0.00 H ATOM 1379 HB3 LYS A 511 11.715 -1.807 7.946 1.00 0.00 H ATOM 1380 HG2 LYS A 511 10.444 -2.350 5.960 1.00 0.00 H ATOM 1381 HG3 LYS A 511 10.651 -4.095 6.244 1.00 0.00 H ATOM 1382 HD2 LYS A 511 9.385 -3.818 8.413 1.00 0.00 H ATOM 1383 HD3 LYS A 511 9.060 -2.131 7.949 1.00 0.00 H ATOM 1384 HE2 LYS A 511 8.294 -4.565 6.283 1.00 0.00 H ATOM 1385 HE3 LYS A 511 7.882 -2.869 5.937 1.00 0.00 H ATOM 1386 HZ1 LYS A 511 6.990 -4.427 8.304 1.00 0.00 H ATOM 1387 HZ2 LYS A 511 6.597 -2.808 7.973 1.00 0.00 H ATOM 1388 HZ3 LYS A 511 6.042 -4.043 6.946 1.00 0.00 H ATOM 1389 H LYS A 511 12.444 -5.057 6.653 1.00 0.00 H ATOM 1390 N GLY A 512 14.848 -3.161 8.577 1.00 0.00 N ATOM 1391 CA GLY A 512 15.972 -2.715 9.423 1.00 0.00 C ATOM 1392 C GLY A 512 15.707 -1.403 10.181 1.00 0.00 C ATOM 1393 O GLY A 512 16.574 -0.526 10.228 1.00 0.00 O ATOM 1394 HA3 GLY A 512 16.845 -2.572 8.786 1.00 0.00 H ATOM 1395 HA2 GLY A 512 16.182 -3.496 10.154 1.00 0.00 H ATOM 1396 H GLY A 512 14.490 -4.128 8.716 1.00 0.00 H ATOM 1397 N LYS A 513 14.487 -1.249 10.721 1.00 0.00 N ATOM 1398 CA LYS A 513 13.927 -0.005 11.293 1.00 0.00 C ATOM 1399 C LYS A 513 14.834 0.715 12.306 1.00 0.00 C ATOM 1400 O LYS A 513 14.915 1.945 12.280 1.00 0.00 O ATOM 1401 CB LYS A 513 12.558 -0.342 11.914 1.00 0.00 C ATOM 1402 CG LYS A 513 11.734 0.903 12.295 1.00 0.00 C ATOM 1403 CD LYS A 513 10.427 0.551 13.024 1.00 0.00 C ATOM 1404 CE LYS A 513 10.717 -0.062 14.400 1.00 0.00 C ATOM 1405 NZ LYS A 513 9.481 -0.411 15.139 1.00 0.00 N ATOM 1406 HA LYS A 513 13.831 0.711 10.477 1.00 0.00 H ATOM 1407 HB2 LYS A 513 11.987 -0.927 11.194 1.00 0.00 H ATOM 1408 HB3 LYS A 513 12.723 -0.935 12.813 1.00 0.00 H ATOM 1409 HG2 LYS A 513 12.338 1.535 12.947 1.00 0.00 H ATOM 1410 HG3 LYS A 513 11.489 1.451 11.385 1.00 0.00 H ATOM 1411 HD2 LYS A 513 9.835 1.457 13.154 1.00 0.00 H ATOM 1412 HD3 LYS A 513 9.865 -0.166 12.425 1.00 0.00 H ATOM 1413 HE2 LYS A 513 11.286 0.657 14.990 1.00 0.00 H ATOM 1414 HE3 LYS A 513 11.309 -0.967 14.262 1.00 0.00 H ATOM 1415 HZ1 LYS A 513 8.911 0.447 15.284 1.00 0.00 H ATOM 1416 HZ2 LYS A 513 8.933 -1.103 14.589 1.00 0.00 H ATOM 1417 HZ3 LYS A 513 9.734 -0.821 16.061 1.00 0.00 H ATOM 1418 H LYS A 513 13.874 -2.089 10.739 1.00 0.00 H ATOM 1419 N GLN A 514 15.514 -0.033 13.180 1.00 0.00 N ATOM 1420 CA GLN A 514 16.405 0.490 14.229 1.00 0.00 C ATOM 1421 C GLN A 514 17.673 -0.370 14.381 1.00 0.00 C ATOM 1422 O GLN A 514 17.690 -1.553 14.026 1.00 0.00 O ATOM 1423 CB GLN A 514 15.650 0.584 15.573 1.00 0.00 C ATOM 1424 CG GLN A 514 14.520 1.627 15.552 1.00 0.00 C ATOM 1425 CD GLN A 514 13.897 1.840 16.930 1.00 0.00 C ATOM 1426 OE1 GLN A 514 12.860 1.284 17.270 1.00 0.00 O ATOM 1427 NE2 GLN A 514 14.491 2.659 17.776 1.00 0.00 N ATOM 1428 HA GLN A 514 16.722 1.489 13.929 1.00 0.00 H ATOM 1429 HB2 GLN A 514 15.219 -0.391 15.800 1.00 0.00 H ATOM 1430 HB3 GLN A 514 16.361 0.856 16.353 1.00 0.00 H ATOM 1431 HG2 GLN A 514 14.926 2.576 15.201 1.00 0.00 H ATOM 1432 HG3 GLN A 514 13.744 1.289 14.865 1.00 0.00 H ATOM 1433 HE22 GLN A 514 15.372 3.139 17.503 1.00 0.00 H ATOM 1434 HE21 GLN A 514 14.078 2.825 18.716 1.00 0.00 H ATOM 1435 H GLN A 514 15.405 -1.065 13.114 1.00 0.00 H ATOM 1436 N VAL A 515 18.734 0.233 14.935 1.00 0.00 N ATOM 1437 CA VAL A 515 20.105 -0.327 14.976 1.00 0.00 C ATOM 1438 C VAL A 515 20.767 -0.262 16.369 1.00 0.00 C ATOM 1439 O VAL A 515 21.900 -0.715 16.542 1.00 0.00 O ATOM 1440 CB VAL A 515 20.946 0.349 13.864 1.00 0.00 C ATOM 1441 CG1 VAL A 515 21.342 1.793 14.203 1.00 0.00 C ATOM 1442 CG2 VAL A 515 22.197 -0.441 13.463 1.00 0.00 C ATOM 1443 HA VAL A 515 20.047 -1.398 14.780 1.00 0.00 H ATOM 1444 HB VAL A 515 20.273 0.363 13.007 1.00 0.00 H ATOM 1445 HG11 VAL A 515 20.442 2.391 14.347 1.00 0.00 H ATOM 1446 HG12 VAL A 515 21.935 1.801 15.117 1.00 0.00 H ATOM 1447 HG13 VAL A 515 21.929 2.209 13.384 1.00 0.00 H ATOM 1448 HG21 VAL A 515 22.845 -0.558 14.332 1.00 0.00 H ATOM 1449 HG22 VAL A 515 21.902 -1.423 13.093 1.00 0.00 H ATOM 1450 HG23 VAL A 515 22.730 0.098 12.680 1.00 0.00 H ATOM 1451 H VAL A 515 18.583 1.166 15.370 1.00 0.00 H ATOM 1452 N LYS A 516 20.059 0.247 17.393 1.00 0.00 N ATOM 1453 CA LYS A 516 20.531 0.306 18.797 1.00 0.00 C ATOM 1454 C LYS A 516 20.914 -1.075 19.359 1.00 0.00 C ATOM 1455 O LYS A 516 21.899 -1.193 20.092 1.00 0.00 O ATOM 1456 CB LYS A 516 19.461 0.967 19.690 1.00 0.00 C ATOM 1457 CG LYS A 516 19.065 2.404 19.302 1.00 0.00 C ATOM 1458 CD LYS A 516 20.241 3.395 19.348 1.00 0.00 C ATOM 1459 CE LYS A 516 19.808 4.836 19.040 1.00 0.00 C ATOM 1460 NZ LYS A 516 18.992 5.431 20.133 1.00 0.00 N ATOM 1461 HA LYS A 516 21.438 0.910 18.801 1.00 0.00 H ATOM 1462 HB2 LYS A 516 18.564 0.350 19.651 1.00 0.00 H ATOM 1463 HB3 LYS A 516 19.842 0.988 20.711 1.00 0.00 H ATOM 1464 HG2 LYS A 516 18.663 2.390 18.289 1.00 0.00 H ATOM 1465 HG3 LYS A 516 18.295 2.749 19.992 1.00 0.00 H ATOM 1466 HD2 LYS A 516 20.683 3.368 20.344 1.00 0.00 H ATOM 1467 HD3 LYS A 516 20.986 3.089 18.613 1.00 0.00 H ATOM 1468 HE2 LYS A 516 19.218 4.836 18.123 1.00 0.00 H ATOM 1469 HE3 LYS A 516 20.700 5.446 18.897 1.00 0.00 H ATOM 1470 HZ1 LYS A 516 18.134 4.861 20.273 1.00 0.00 H ATOM 1471 HZ2 LYS A 516 19.548 5.444 21.012 1.00 0.00 H ATOM 1472 HZ3 LYS A 516 18.726 6.403 19.876 1.00 0.00 H ATOM 1473 H LYS A 516 19.113 0.626 17.185 1.00 0.00 H ATOM 1474 N SER A 517 20.170 -2.103 18.941 1.00 0.00 N ATOM 1475 CA SER A 517 20.453 -3.536 19.153 1.00 0.00 C ATOM 1476 C SER A 517 20.002 -4.377 17.947 1.00 0.00 C ATOM 1477 O SER A 517 20.716 -5.288 17.522 1.00 0.00 O ATOM 1478 CB SER A 517 19.742 -4.061 20.411 1.00 0.00 C ATOM 1479 OG SER A 517 20.194 -3.401 21.586 1.00 0.00 O ATOM 1480 HA SER A 517 21.532 -3.630 19.278 1.00 0.00 H ATOM 1481 HB2 SER A 517 19.938 -5.129 20.508 1.00 0.00 H ATOM 1482 HB3 SER A 517 18.670 -3.898 20.305 1.00 0.00 H ATOM 1483 HG SER A 517 19.715 -3.765 22.372 1.00 0.00 H ATOM 1484 H SER A 517 19.305 -1.870 18.413 1.00 0.00 H ATOM 1485 N GLY A 518 18.845 -4.043 17.360 1.00 0.00 N ATOM 1486 CA GLY A 518 18.307 -4.630 16.125 1.00 0.00 C ATOM 1487 C GLY A 518 16.778 -4.497 16.022 1.00 0.00 C ATOM 1488 O GLY A 518 16.135 -4.057 16.984 1.00 0.00 O ATOM 1489 HA3 GLY A 518 18.568 -5.688 16.099 1.00 0.00 H ATOM 1490 HA2 GLY A 518 18.760 -4.124 15.272 1.00 0.00 H ATOM 1491 H GLY A 518 18.277 -3.303 17.819 1.00 0.00 H ATOM 1492 N PRO A 519 16.161 -4.919 14.900 1.00 0.00 N ATOM 1493 CA PRO A 519 14.703 -4.907 14.725 1.00 0.00 C ATOM 1494 C PRO A 519 13.969 -5.877 15.674 1.00 0.00 C ATOM 1495 O PRO A 519 12.787 -5.688 15.967 1.00 0.00 O ATOM 1496 CB PRO A 519 14.472 -5.251 13.249 1.00 0.00 C ATOM 1497 CG PRO A 519 15.700 -6.079 12.873 1.00 0.00 C ATOM 1498 CD PRO A 519 16.815 -5.457 13.714 1.00 0.00 C ATOM 1499 HA PRO A 519 14.288 -3.933 14.984 1.00 0.00 H ATOM 1500 HD3 PRO A 519 17.548 -6.214 13.994 1.00 0.00 H ATOM 1501 HD2 PRO A 519 17.311 -4.661 13.159 1.00 0.00 H ATOM 1502 HG3 PRO A 519 15.919 -5.992 11.809 1.00 0.00 H ATOM 1503 HG2 PRO A 519 15.557 -7.129 13.129 1.00 0.00 H ATOM 1504 HB2 PRO A 519 13.558 -5.832 13.123 1.00 0.00 H ATOM 1505 HB3 PRO A 519 14.412 -4.347 12.644 1.00 0.00 H ATOM 1506 N SER A 520 14.673 -6.879 16.217 1.00 0.00 N ATOM 1507 CA SER A 520 14.200 -7.772 17.291 1.00 0.00 C ATOM 1508 C SER A 520 13.990 -7.073 18.650 1.00 0.00 C ATOM 1509 O SER A 520 13.438 -7.679 19.572 1.00 0.00 O ATOM 1510 CB SER A 520 15.197 -8.924 17.486 1.00 0.00 C ATOM 1511 OG SER A 520 15.441 -9.600 16.259 1.00 0.00 O ATOM 1512 HA SER A 520 13.225 -8.133 16.964 1.00 0.00 H ATOM 1513 HB2 SER A 520 14.788 -9.631 18.208 1.00 0.00 H ATOM 1514 HB3 SER A 520 16.137 -8.522 17.865 1.00 0.00 H ATOM 1515 HG SER A 520 16.085 -10.336 16.412 1.00 0.00 H ATOM 1516 H SER A 520 15.633 -7.041 15.851 1.00 0.00 H ATOM 1517 N SER A 521 14.416 -5.810 18.786 1.00 0.00 N ATOM 1518 CA SER A 521 14.463 -5.047 20.048 1.00 0.00 C ATOM 1519 C SER A 521 13.869 -3.629 19.932 1.00 0.00 C ATOM 1520 O SER A 521 13.988 -2.829 20.868 1.00 0.00 O ATOM 1521 CB SER A 521 15.917 -4.957 20.540 1.00 0.00 C ATOM 1522 OG SER A 521 16.531 -6.236 20.644 1.00 0.00 O ATOM 1523 HA SER A 521 13.844 -5.588 20.764 1.00 0.00 H ATOM 1524 HB2 SER A 521 15.927 -4.482 21.521 1.00 0.00 H ATOM 1525 HB3 SER A 521 16.488 -4.350 19.838 1.00 0.00 H ATOM 1526 HG SER A 521 17.462 -6.129 20.963 1.00 0.00 H ATOM 1527 H SER A 521 14.742 -5.325 17.926 1.00 0.00 H ATOM 1528 N GLY A 522 13.229 -3.298 18.801 1.00 0.00 N ATOM 1529 CA GLY A 522 12.631 -1.984 18.515 1.00 0.00 C ATOM 1530 C GLY A 522 11.803 -1.980 17.234 1.00 0.00 C ATOM 1531 O GLY A 522 12.391 -2.165 16.147 1.00 0.00 O ATOM 1532 HA3 GLY A 522 13.431 -1.251 18.416 1.00 0.00 H ATOM 1533 HA2 GLY A 522 11.986 -1.705 19.348 1.00 0.00 H ATOM 1534 OXT GLY A 522 10.568 -1.796 17.327 1.00 0.00 O ATOM 1535 H GLY A 522 13.149 -4.029 18.066 1.00 0.00 H TER 1536 GLY A 522 HETATM 1537 P UNN A 1 -9.703 -3.222 11.640 1.00 0.30 P HETATM 1538 OP1 UNN A 1 -10.826 -2.311 11.965 1.00 -0.61 O HETATM 1539 OP2 UNN A 1 -9.542 -3.666 10.234 1.00 -0.61 O HETATM 1540 O5' UNN A 1 -8.330 -2.509 12.095 1.00 -0.25 O HETATM 1541 C5' UNN A 1 -7.074 -3.155 11.954 1.00 0.11 C HETATM 1542 C4' UNN A 1 -5.894 -2.241 12.325 1.00 0.12 C HETATM 1543 O4' UNN A 1 -5.772 -1.124 11.460 1.00 -0.34 O HETATM 1544 C1' UNN A 1 -5.340 0.013 12.197 1.00 0.19 C HETATM 1545 C2' UNN A 1 -5.033 -0.455 13.624 1.00 0.13 C HETATM 1546 C3' UNN A 1 -5.951 -1.680 13.753 1.00 0.11 C HETATM 1547 O3' UNN A 1 -5.497 -2.588 14.756 1.00 -0.39 O HETATM 1548 H5 UNN A 1 -4.593 -2.822 14.584 1.00 0.21 H HETATM 1549 H4 UNN A 1 -6.978 -1.375 14.004 1.00 0.06 H HETATM 1550 O2' UNN A 1 -3.648 -0.794 13.715 1.00 -0.38 O HETATM 1551 H7 UNN A 1 -3.477 -1.200 14.557 1.00 0.21 H HETATM 1552 H6 UNN A 1 -5.281 0.311 14.373 1.00 0.07 H HETATM 1553 N9 UNN A 1 -6.437 1.004 12.126 1.00 -0.19 N HETATM 1554 C8 UNN A 1 -7.794 0.758 12.165 1.00 0.07 C HETATM 1555 N7 UNN A 1 -8.480 1.928 11.773 1.00 0.29 N HETATM 1556 C5 UNN A 1 -7.502 2.863 11.579 1.00 0.17 C HETATM 1557 C6 UNN A 1 -7.608 4.198 11.156 1.00 0.29 C HETATM 1558 O6 UNN A 1 -8.607 4.822 10.832 1.00 -0.37 O HETATM 1559 N1 UNN A 1 -6.422 4.836 11.106 1.00 -0.19 N HETATM 1560 C2 UNN A 1 -5.273 4.245 11.350 1.00 0.15 C HETATM 1561 N2 UNN A 1 -4.261 5.017 11.216 1.00 -0.40 N HETATM 1562 H14 UNN A 1 -3.332 4.663 11.380 1.00 0.04 H HETATM 1563 N3 UNN A 1 -5.090 3.007 11.738 1.00 -0.25 N HETATM 1564 C4 UNN A 1 -6.267 2.341 11.825 1.00 0.21 C HETATM 1565 H13 UNN A 1 -6.415 5.808 10.871 1.00 0.24 H HETATM 1566 H12 UNN A 1 -7.617 3.208 12.617 1.00 0.15 H HETATM 1567 CM7 UNN A 1 -9.972 1.939 11.638 1.00 -0.04 C HETATM 1568 H15 UNN A 1 -10.371 0.948 11.900 1.00 0.08 H HETATM 1569 H16 UNN A 1 -10.245 2.182 10.600 1.00 0.08 H HETATM 1570 H17 UNN A 1 -10.396 2.696 12.315 1.00 0.08 H HETATM 1571 H11 UNN A 1 -8.607 2.243 12.722 1.00 0.21 H HETATM 1572 H9 UNN A 1 -8.090 0.481 13.187 1.00 0.11 H HETATM 1573 H10 UNN A 1 -8.041 -0.063 11.476 1.00 0.11 H HETATM 1574 H8 UNN A 1 -4.430 0.442 11.752 1.00 0.09 H HETATM 1575 H3 UNN A 1 -4.982 -2.849 12.235 1.00 0.07 H HETATM 1576 H1 UNN A 1 -6.957 -3.474 10.908 1.00 0.06 H HETATM 1577 H2 UNN A 1 -7.056 -4.037 12.610 1.00 0.06 H HETATM 1578 O3B UNN A 1 -9.816 -4.529 12.487 1.00 -0.13 O HETATM 1579 PB UNN A 1 -10.278 -4.752 13.958 1.00 0.34 P HETATM 1580 O1B UNN A 1 -9.452 -5.896 14.425 1.00 -0.61 O HETATM 1581 O2B UNN A 1 -11.753 -4.936 13.885 1.00 -0.61 O HETATM 1582 O3A UNN A 1 -9.927 -3.467 14.726 1.00 -0.13 O HETATM 1583 PA UNN A 1 -9.811 -3.418 16.262 1.00 0.30 P HETATM 1584 O1A UNN A 1 -8.395 -3.634 16.667 1.00 -0.61 O HETATM 1585 O2A UNN A 1 -10.875 -4.205 16.947 1.00 -0.61 O HETATM 1586 O5' UNN A 1 -10.141 -1.866 16.600 1.00 -0.25 O HETATM 1587 C5' UNN A 1 -9.558 -0.783 15.875 1.00 0.11 C HETATM 1588 C4' UNN A 1 -8.127 -0.440 16.324 1.00 0.12 C HETATM 1589 O4' UNN A 1 -7.625 0.560 15.440 1.00 -0.33 O HETATM 1590 C1' UNN A 1 -7.323 1.725 16.188 1.00 0.22 C HETATM 1591 C2' UNN A 1 -8.141 1.629 17.478 1.00 0.14 C HETATM 1592 C3' UNN A 1 -8.069 0.122 17.755 1.00 0.12 C HETATM 1593 O3' UNN A 1 -6.836 -0.227 18.392 1.00 -0.39 O HETATM 1594 H22 UNN A 1 -6.823 0.130 19.272 1.00 0.21 H HETATM 1595 H21 UNN A 1 -8.916 -0.223 18.366 1.00 0.06 H HETATM 1596 O2' UNN A 1 -7.612 2.426 18.534 1.00 -0.38 O HETATM 1597 H24 UNN A 1 -6.698 2.204 18.669 1.00 0.21 H HETATM 1598 H23 UNN A 1 -9.181 1.940 17.301 1.00 0.07 H HETATM 1599 N9 UNN A 1 -7.638 2.938 15.404 1.00 -0.10 N HETATM 1600 C8 UNN A 1 -8.858 3.366 14.948 1.00 0.19 C HETATM 1601 N7 UNN A 1 -8.839 4.554 14.396 1.00 -0.19 N HETATM 1602 C5 UNN A 1 -7.490 4.933 14.470 1.00 0.26 C HETATM 1603 C6 UNN A 1 -6.795 6.119 14.029 1.00 0.26 C HETATM 1604 O6 UNN A 1 -7.243 7.138 13.501 1.00 -0.36 O HETATM 1605 N1 UNN A 1 -5.427 6.056 14.219 1.00 -0.25 N HETATM 1606 C2 UNN A 1 -4.794 4.999 14.784 1.00 0.20 C HETATM 1607 N2 UNN A 1 -3.493 5.055 14.852 1.00 -0.33 N HETATM 1608 H28 UNN A 1 -2.965 4.277 15.273 1.00 0.18 H HETATM 1609 H29 UNN A 1 -2.993 5.877 14.485 1.00 0.18 H HETATM 1610 N3 UNN A 1 -5.396 3.903 15.239 1.00 -0.19 N HETATM 1611 C4 UNN A 1 -6.748 3.924 15.049 1.00 0.33 C HETATM 1612 H30 UNN A 1 -4.896 3.122 15.687 1.00 0.25 H HETATM 1613 H27 UNN A 1 -4.873 6.834 13.923 1.00 0.18 H HETATM 1614 H26 UNN A 1 -9.765 2.770 15.037 1.00 0.18 H HETATM 1615 H25 UNN A 1 -6.252 1.739 16.437 1.00 0.10 H HETATM 1616 H20 UNN A 1 -7.504 -1.345 16.267 1.00 0.07 H HETATM 1617 H18 UNN A 1 -10.189 0.108 16.014 1.00 0.06 H HETATM 1618 H19 UNN A 1 -9.533 -1.052 14.809 1.00 0.06 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1537 1538 1539 1540 1578 CONECT 1538 1537 CONECT 1539 1537 CONECT 1540 1537 1541 CONECT 1541 1540 1542 1576 1577 CONECT 1542 1541 1543 1546 1575 CONECT 1543 1542 1544 CONECT 1544 1543 1545 1553 1574 CONECT 1545 1544 1546 1550 1552 CONECT 1546 1542 1545 1547 1549 CONECT 1547 1546 1548 CONECT 1548 1547 CONECT 1549 1546 CONECT 1550 1545 1551 CONECT 1551 1550 CONECT 1552 1545 CONECT 1553 1544 1554 1564 CONECT 1554 1553 1555 1572 1573 CONECT 1555 1554 1556 1567 1571 CONECT 1556 1555 1557 1564 1566 CONECT 1557 1556 1558 1559 CONECT 1558 1557 CONECT 1559 1557 1560 1565 CONECT 1560 1559 1561 1563 CONECT 1561 1560 1562 CONECT 1562 1561 CONECT 1563 1560 1564 CONECT 1564 1553 1556 1563 CONECT 1565 1559 CONECT 1566 1556 CONECT 1567 1555 1568 1569 1570 CONECT 1568 1567 CONECT 1569 1567 CONECT 1570 1567 CONECT 1571 1555 CONECT 1572 1554 CONECT 1573 1554 CONECT 1574 1544 CONECT 1575 1542 CONECT 1576 1541 CONECT 1577 1541 CONECT 1578 1537 1579 CONECT 1579 1578 1580 1581 1582 CONECT 1580 1579 CONECT 1581 1579 CONECT 1582 1579 1583 CONECT 1583 1582 1584 1585 1586 CONECT 1584 1583 CONECT 1585 1583 CONECT 1586 1583 1587 CONECT 1587 1586 1588 1617 1618 CONECT 1588 1587 1589 1592 1616 CONECT 1589 1588 1590 CONECT 1590 1589 1591 1599 1615 CONECT 1591 1590 1592 1596 1598 CONECT 1592 1588 1591 1593 1595 CONECT 1593 1592 1594 CONECT 1594 1593 CONECT 1595 1592 CONECT 1596 1591 1597 CONECT 1597 1596 CONECT 1598 1591 CONECT 1599 1590 1600 1611 CONECT 1600 1599 1601 1614 CONECT 1601 1600 1602 CONECT 1602 1601 1603 1611 CONECT 1603 1602 1604 1605 CONECT 1604 1603 CONECT 1605 1603 1606 1613 CONECT 1606 1605 1607 1610 CONECT 1607 1606 1608 1609 CONECT 1608 1607 CONECT 1609 1607 CONECT 1610 1606 1611 1612 CONECT 1611 1599 1602 1610 CONECT 1612 1610 CONECT 1613 1605 CONECT 1614 1600 CONECT 1615 1590 CONECT 1616 1588 CONECT 1617 1587 CONECT 1618 1587 MASTER 0 0 0 0 0 0 0 0 1617 1 86 8 END
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Entry Information
PDB ID
2rok
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Poly(A)-specific ribonuclease(PARN)
Ligand Name
2-mer
EC.Number
E.C.3.1.13.4
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=45uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Nucleic Acids Res. Vol. 36: pp. 4754-4767
Ligand Properties
Formula
C
2
1
H
3
6
N
1
0
O
1
8
P
3
Molecular Weight
809.488
Exact Mass
809.142
No. of atoms
88
No. of bonds
93
Polar Surface Area
462.28
LOGP Value
-7.37 (
Computed with XLOGP3
)
-6.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 16
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 6
Canonical SMILES
N=C1NC(=O)[C@@H]2C(=N1)N(C[N@@H+]2C)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)COP(OP(OP(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(N)[nH+]c2=O)(O)O)(O)O)(O)O
InChI String
InChI=1S/C21H37N10O18P3/c1-29-5-31(15-9(29)17(37)28-21(23)26-15)19-13(35)11(33)7(47-19)3-45-51(40,41)49-52(42,43)48-50(38,39)44-2-6-10(32)12(34)18(46-6)30-4-24-8-14(30)25-20(22)27-16(8)36/h4,6-7,9-13,18-19,32-35,38-43,50-52H,2-3,5H2,1H3,(H2,23,28,37)(H3,22,25,27,36)/p+2/t6-,7-,9+,10-,11-,12-,13-,18-,19-/m1/s1
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UniProtKB AC
UniProt accession number (AC):
Q8VDG3
Entrez Gene ID
NCBI Entrez Gene ID:
74108
ASD
Information of known allosteric effects of PDB entries
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