USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 376 hydrogens (21 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 434 HIS HE2 : A 434 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD NoAdj-H: A 440 HIS HE2 : A 440 HIS NE2 : A1001 ZNZN :(H bumps) USER MOD Set 1.1: A 428 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A1003 RIB O5' : rot -25:sc= 0.18 USER MOD Set 2.1: A 423 TYR OH : rot -155:sc= -0.842! USER MOD Set 2.2: A1003 RIB O2' : rot 88:sc= 0.546 USER MOD Set 3.1: A 412 GLN : amide:sc= 0.34 K(o=-0.77,f=-4.1) USER MOD Set 3.2: A 415 THR OG1 : rot 180:sc= 0.0435 USER MOD Set 3.3: A 441 ASN : amide:sc= -1.16 K(o=-0.77,f=-4.6) USER MOD Single : A 408 GLN : amide:sc= -2.51 K(o=-2.5,f=-12!) USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 430 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 431 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 433 GLN : amide:sc= -3.55! C(o=-3.5!,f=-3.5!) USER MOD Single : A 435 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.0908) USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A1002 ADN O3' : rot 95:sc= 0.179 USER MOD Single : A1002 ADN O5' : rot 180:sc= 0 USER MOD Single : A1003 RIB O3' : rot 138:sc= 0.322 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 405 -24.796 -1.770 -13.179 1.00 0.00 N ATOM 2 CA GLY A 405 -24.024 -1.379 -11.965 1.00 0.00 C ATOM 3 C GLY A 405 -22.914 -2.409 -11.709 1.00 0.00 C ATOM 4 O GLY A 405 -22.253 -2.851 -12.630 1.00 0.00 O ATOM 0 HA2 GLY A 405 -23.591 -0.388 -12.100 1.00 0.00 H new ATOM 0 HA3 GLY A 405 -24.687 -1.322 -11.102 1.00 0.00 H new ATOM 8 N GLY A 406 -22.699 -2.796 -10.467 1.00 0.00 N ATOM 9 CA GLY A 406 -21.632 -3.795 -10.168 1.00 0.00 C ATOM 10 C GLY A 406 -20.903 -3.394 -8.879 1.00 0.00 C ATOM 11 O GLY A 406 -19.922 -2.674 -8.917 1.00 0.00 O ATOM 0 H GLY A 406 -23.218 -2.460 -9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 406 -22.069 -4.788 -10.058 1.00 0.00 H new ATOM 0 HA3 GLY A 406 -20.926 -3.848 -10.997 1.00 0.00 H new ATOM 15 N VAL A 407 -21.372 -3.853 -7.737 1.00 0.00 N ATOM 16 CA VAL A 407 -20.700 -3.493 -6.453 1.00 0.00 C ATOM 17 C VAL A 407 -20.108 -4.756 -5.807 1.00 0.00 C ATOM 18 O VAL A 407 -20.406 -5.074 -4.671 1.00 0.00 O ATOM 19 CB VAL A 407 -21.808 -2.895 -5.580 1.00 0.00 C ATOM 20 CG1 VAL A 407 -21.241 -2.506 -4.212 1.00 0.00 C ATOM 21 CG2 VAL A 407 -22.378 -1.649 -6.262 1.00 0.00 C ATOM 0 H VAL A 407 -22.188 -4.458 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 407 -19.877 -2.791 -6.589 1.00 0.00 H new ATOM 0 HB VAL A 407 -22.596 -3.636 -5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 407 -22.034 -2.082 -3.597 1.00 0.00 H new ATOM 0 HG12 VAL A 407 -20.835 -3.391 -3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 407 -20.449 -1.768 -4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 407 -23.166 -1.223 -5.641 1.00 0.00 H new ATOM 0 HG22 VAL A 407 -21.585 -0.913 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 407 -22.789 -1.922 -7.234 1.00 0.00 H new ATOM 31 N GLN A 408 -19.273 -5.480 -6.523 1.00 0.00 N ATOM 32 CA GLN A 408 -18.669 -6.718 -5.945 1.00 0.00 C ATOM 33 C GLN A 408 -17.139 -6.588 -5.888 1.00 0.00 C ATOM 34 O GLN A 408 -16.589 -5.566 -6.255 1.00 0.00 O ATOM 35 CB GLN A 408 -19.078 -7.840 -6.900 1.00 0.00 C ATOM 36 CG GLN A 408 -20.544 -8.208 -6.661 1.00 0.00 C ATOM 37 CD GLN A 408 -21.436 -7.446 -7.651 1.00 0.00 C ATOM 38 OE1 GLN A 408 -21.042 -6.420 -8.171 1.00 0.00 O ATOM 39 NE2 GLN A 408 -22.632 -7.900 -7.937 1.00 0.00 N ATOM 0 H GLN A 408 -18.988 -5.264 -7.478 1.00 0.00 H new ATOM 0 HA GLN A 408 -19.008 -6.906 -4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 408 -18.936 -7.522 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 408 -18.443 -8.713 -6.745 1.00 0.00 H new ATOM 0 HG2 GLN A 408 -20.684 -9.282 -6.783 1.00 0.00 H new ATOM 0 HG3 GLN A 408 -20.828 -7.963 -5.638 1.00 0.00 H new ATOM 0 HE21 GLN A 408 -22.968 -8.760 -7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 408 -23.227 -7.393 -8.593 1.00 0.00 H new ATOM 48 N ILE A 409 -16.444 -7.612 -5.433 1.00 0.00 N ATOM 49 CA ILE A 409 -14.954 -7.533 -5.358 1.00 0.00 C ATOM 50 C ILE A 409 -14.326 -8.582 -6.293 1.00 0.00 C ATOM 51 O ILE A 409 -13.585 -9.443 -5.853 1.00 0.00 O ATOM 52 CB ILE A 409 -14.611 -7.831 -3.893 1.00 0.00 C ATOM 53 CG1 ILE A 409 -15.262 -6.778 -2.989 1.00 0.00 C ATOM 54 CG2 ILE A 409 -13.093 -7.792 -3.699 1.00 0.00 C ATOM 55 CD1 ILE A 409 -15.682 -7.428 -1.669 1.00 0.00 C ATOM 0 H ILE A 409 -16.848 -8.492 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 409 -14.571 -6.561 -5.669 1.00 0.00 H new ATOM 0 HB ILE A 409 -14.986 -8.821 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 409 -14.563 -5.964 -2.799 1.00 0.00 H new ATOM 0 HG13 ILE A 409 -16.130 -6.344 -3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 409 -12.854 -8.004 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 409 -12.625 -8.541 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 409 -12.718 -6.803 -3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 409 -16.145 -6.679 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 409 -16.396 -8.227 -1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 409 -14.805 -7.841 -1.171 1.00 0.00 H new ATOM 67 N VAL A 410 -14.613 -8.520 -7.578 1.00 0.00 N ATOM 68 CA VAL A 410 -14.025 -9.520 -8.524 1.00 0.00 C ATOM 69 C VAL A 410 -12.705 -8.986 -9.111 1.00 0.00 C ATOM 70 O VAL A 410 -12.585 -8.807 -10.309 1.00 0.00 O ATOM 71 CB VAL A 410 -15.077 -9.736 -9.630 1.00 0.00 C ATOM 72 CG1 VAL A 410 -16.401 -10.183 -9.002 1.00 0.00 C ATOM 73 CG2 VAL A 410 -15.298 -8.444 -10.440 1.00 0.00 C ATOM 0 H VAL A 410 -15.224 -7.824 -8.005 1.00 0.00 H new ATOM 0 HA VAL A 410 -13.791 -10.459 -8.023 1.00 0.00 H new ATOM 0 HB VAL A 410 -14.711 -10.508 -10.307 1.00 0.00 H new ATOM 0 HG11 VAL A 410 -17.143 -10.335 -9.786 1.00 0.00 H new ATOM 0 HG12 VAL A 410 -16.250 -11.116 -8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 410 -16.754 -9.416 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 410 -16.045 -8.623 -11.214 1.00 0.00 H new ATOM 0 HG22 VAL A 410 -15.646 -7.653 -9.776 1.00 0.00 H new ATOM 0 HG23 VAL A 410 -14.360 -8.141 -10.904 1.00 0.00 H new ATOM 83 N GLY A 411 -11.715 -8.729 -8.280 1.00 0.00 N ATOM 84 CA GLY A 411 -10.415 -8.210 -8.801 1.00 0.00 C ATOM 85 C GLY A 411 -9.867 -7.138 -7.845 1.00 0.00 C ATOM 86 O GLY A 411 -8.683 -7.089 -7.580 1.00 0.00 O ATOM 0 H GLY A 411 -11.756 -8.858 -7.269 1.00 0.00 H new ATOM 0 HA2 GLY A 411 -9.699 -9.026 -8.898 1.00 0.00 H new ATOM 0 HA3 GLY A 411 -10.553 -7.788 -9.796 1.00 0.00 H new ATOM 90 N GLN A 412 -10.713 -6.272 -7.323 1.00 0.00 N ATOM 91 CA GLN A 412 -10.256 -5.187 -6.382 1.00 0.00 C ATOM 92 C GLN A 412 -9.419 -4.153 -7.154 1.00 0.00 C ATOM 93 O GLN A 412 -9.822 -3.013 -7.295 1.00 0.00 O ATOM 94 CB GLN A 412 -9.406 -5.820 -5.245 1.00 0.00 C ATOM 95 CG GLN A 412 -9.961 -7.182 -4.782 1.00 0.00 C ATOM 96 CD GLN A 412 -8.795 -8.148 -4.510 1.00 0.00 C ATOM 97 OE1 GLN A 412 -8.737 -8.753 -3.458 1.00 0.00 O ATOM 98 NE2 GLN A 412 -7.855 -8.325 -5.412 1.00 0.00 N ATOM 0 H GLN A 412 -11.715 -6.271 -7.512 1.00 0.00 H new ATOM 0 HA GLN A 412 -11.122 -4.687 -5.948 1.00 0.00 H new ATOM 0 HB2 GLN A 412 -8.380 -5.948 -5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 412 -9.374 -5.137 -4.396 1.00 0.00 H new ATOM 0 HG2 GLN A 412 -10.559 -7.055 -3.880 1.00 0.00 H new ATOM 0 HG3 GLN A 412 -10.620 -7.596 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 412 -7.897 -7.821 -6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 412 -7.084 -8.967 -5.226 1.00 0.00 H new ATOM 107 N ASP A 413 -8.261 -4.533 -7.661 1.00 0.00 N ATOM 108 CA ASP A 413 -7.417 -3.557 -8.426 1.00 0.00 C ATOM 109 C ASP A 413 -6.215 -4.259 -9.088 1.00 0.00 C ATOM 110 O ASP A 413 -5.102 -3.771 -9.029 1.00 0.00 O ATOM 111 CB ASP A 413 -6.933 -2.540 -7.388 1.00 0.00 C ATOM 112 CG ASP A 413 -6.323 -1.332 -8.101 1.00 0.00 C ATOM 113 OD1 ASP A 413 -6.929 -0.860 -9.049 1.00 0.00 O ATOM 114 OD2 ASP A 413 -5.260 -0.899 -7.687 1.00 0.00 O ATOM 0 H ASP A 413 -7.870 -5.471 -7.577 1.00 0.00 H new ATOM 0 HA ASP A 413 -7.983 -3.088 -9.231 1.00 0.00 H new ATOM 0 HB2 ASP A 413 -7.765 -2.222 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 413 -6.194 -2.999 -6.731 1.00 0.00 H new ATOM 119 N GLU A 414 -6.425 -5.401 -9.721 1.00 0.00 N ATOM 120 CA GLU A 414 -5.290 -6.125 -10.386 1.00 0.00 C ATOM 121 C GLU A 414 -4.123 -6.331 -9.402 1.00 0.00 C ATOM 122 O GLU A 414 -3.020 -5.874 -9.640 1.00 0.00 O ATOM 123 CB GLU A 414 -4.865 -5.223 -11.551 1.00 0.00 C ATOM 124 CG GLU A 414 -4.539 -6.082 -12.775 1.00 0.00 C ATOM 125 CD GLU A 414 -5.789 -6.224 -13.647 1.00 0.00 C ATOM 126 OE1 GLU A 414 -6.870 -6.311 -13.088 1.00 0.00 O ATOM 127 OE2 GLU A 414 -5.643 -6.243 -14.858 1.00 0.00 O ATOM 0 H GLU A 414 -7.333 -5.858 -9.803 1.00 0.00 H new ATOM 0 HA GLU A 414 -5.585 -7.117 -10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 414 -5.663 -4.520 -11.790 1.00 0.00 H new ATOM 0 HB3 GLU A 414 -3.994 -4.632 -11.267 1.00 0.00 H new ATOM 0 HG2 GLU A 414 -3.733 -5.625 -13.349 1.00 0.00 H new ATOM 0 HG3 GLU A 414 -4.189 -7.065 -12.460 1.00 0.00 H new ATOM 134 N THR A 415 -4.355 -7.014 -8.298 1.00 0.00 N ATOM 135 CA THR A 415 -3.250 -7.239 -7.314 1.00 0.00 C ATOM 136 C THR A 415 -2.834 -8.719 -7.303 1.00 0.00 C ATOM 137 O THR A 415 -3.001 -9.409 -6.313 1.00 0.00 O ATOM 138 CB THR A 415 -3.819 -6.828 -5.953 1.00 0.00 C ATOM 139 OG1 THR A 415 -5.240 -6.860 -5.998 1.00 0.00 O ATOM 140 CG2 THR A 415 -3.347 -5.416 -5.606 1.00 0.00 C ATOM 0 H THR A 415 -5.255 -7.420 -8.042 1.00 0.00 H new ATOM 0 HA THR A 415 -2.360 -6.662 -7.567 1.00 0.00 H new ATOM 0 HB THR A 415 -3.468 -7.524 -5.191 1.00 0.00 H new ATOM 0 HG1 THR A 415 -5.601 -6.598 -5.125 1.00 0.00 H new ATOM 0 HG21 THR A 415 -3.753 -5.125 -4.637 1.00 0.00 H new ATOM 0 HG22 THR A 415 -2.258 -5.396 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 415 -3.693 -4.719 -6.369 1.00 0.00 H new ATOM 148 N ASP A 416 -2.283 -9.211 -8.392 1.00 0.00 N ATOM 149 CA ASP A 416 -1.846 -10.652 -8.431 1.00 0.00 C ATOM 150 C ASP A 416 -0.352 -10.794 -8.069 1.00 0.00 C ATOM 151 O ASP A 416 0.064 -11.817 -7.560 1.00 0.00 O ATOM 152 CB ASP A 416 -2.093 -11.131 -9.867 1.00 0.00 C ATOM 153 CG ASP A 416 -1.849 -12.639 -9.952 1.00 0.00 C ATOM 154 OD1 ASP A 416 -2.665 -13.382 -9.431 1.00 0.00 O ATOM 155 OD2 ASP A 416 -0.850 -13.026 -10.536 1.00 0.00 O ATOM 0 H ASP A 416 -2.117 -8.684 -9.249 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.401 -11.246 -7.705 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -3.115 -10.900 -10.168 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -1.431 -10.606 -10.556 1.00 0.00 H new ATOM 160 N ASP A 417 0.455 -9.783 -8.320 1.00 0.00 N ATOM 161 CA ASP A 417 1.907 -9.876 -7.982 1.00 0.00 C ATOM 162 C ASP A 417 2.254 -8.835 -6.908 1.00 0.00 C ATOM 163 O ASP A 417 3.153 -8.034 -7.088 1.00 0.00 O ATOM 164 CB ASP A 417 2.640 -9.569 -9.292 1.00 0.00 C ATOM 165 CG ASP A 417 3.954 -10.351 -9.341 1.00 0.00 C ATOM 166 OD1 ASP A 417 3.927 -11.489 -9.780 1.00 0.00 O ATOM 167 OD2 ASP A 417 4.965 -9.797 -8.942 1.00 0.00 O ATOM 0 H ASP A 417 0.166 -8.901 -8.744 1.00 0.00 H new ATOM 0 HA ASP A 417 2.185 -10.853 -7.586 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.013 -9.838 -10.142 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.838 -8.500 -9.367 1.00 0.00 H new ATOM 172 N ARG A 418 1.543 -8.825 -5.796 1.00 0.00 N ATOM 173 CA ARG A 418 1.840 -7.814 -4.737 1.00 0.00 C ATOM 174 C ARG A 418 2.143 -8.506 -3.388 1.00 0.00 C ATOM 175 O ARG A 418 1.536 -9.508 -3.066 1.00 0.00 O ATOM 176 CB ARG A 418 0.570 -6.964 -4.632 1.00 0.00 C ATOM 177 CG ARG A 418 0.255 -6.311 -5.984 1.00 0.00 C ATOM 178 CD ARG A 418 0.862 -4.908 -6.029 1.00 0.00 C ATOM 179 NE ARG A 418 0.592 -4.413 -7.414 1.00 0.00 N ATOM 180 CZ ARG A 418 1.261 -4.881 -8.457 1.00 0.00 C ATOM 181 NH1 ARG A 418 2.190 -5.799 -8.318 1.00 0.00 N ATOM 182 NH2 ARG A 418 0.998 -4.422 -9.654 1.00 0.00 N ATOM 0 H ARG A 418 0.780 -9.468 -5.584 1.00 0.00 H new ATOM 0 HA ARG A 418 2.717 -7.214 -4.982 1.00 0.00 H new ATOM 0 HB2 ARG A 418 -0.268 -7.586 -4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 418 0.700 -6.195 -3.870 1.00 0.00 H new ATOM 0 HG2 ARG A 418 0.657 -6.918 -6.795 1.00 0.00 H new ATOM 0 HG3 ARG A 418 -0.824 -6.257 -6.131 1.00 0.00 H new ATOM 0 HD2 ARG A 418 0.408 -4.257 -5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 418 1.932 -4.934 -5.821 1.00 0.00 H new ATOM 0 HE ARG A 418 -0.123 -3.700 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 418 2.409 -6.167 -7.392 1.00 0.00 H new ATOM 0 HH12 ARG A 418 2.692 -6.144 -9.136 1.00 0.00 H new ATOM 0 HH21 ARG A 418 0.281 -3.708 -9.780 1.00 0.00 H new ATOM 0 HH22 ARG A 418 1.510 -4.779 -10.461 1.00 0.00 H new ATOM 196 N PRO A 419 3.080 -7.949 -2.639 1.00 0.00 N ATOM 197 CA PRO A 419 3.454 -8.533 -1.326 1.00 0.00 C ATOM 198 C PRO A 419 2.395 -8.210 -0.238 1.00 0.00 C ATOM 199 O PRO A 419 1.483 -8.985 -0.045 1.00 0.00 O ATOM 200 CB PRO A 419 4.820 -7.908 -1.031 1.00 0.00 C ATOM 201 CG PRO A 419 4.850 -6.625 -1.805 1.00 0.00 C ATOM 202 CD PRO A 419 3.867 -6.750 -2.943 1.00 0.00 C ATOM 0 HA PRO A 419 3.499 -9.622 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 419 4.946 -7.725 0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 419 5.629 -8.571 -1.338 1.00 0.00 H new ATOM 0 HG2 PRO A 419 4.586 -5.785 -1.163 1.00 0.00 H new ATOM 0 HG3 PRO A 419 5.853 -6.432 -2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 419 3.230 -5.868 -3.013 1.00 0.00 H new ATOM 0 HD3 PRO A 419 4.381 -6.848 -3.899 1.00 0.00 H new ATOM 210 N GLU A 420 2.489 -7.090 0.476 1.00 0.00 N ATOM 211 CA GLU A 420 1.462 -6.760 1.544 1.00 0.00 C ATOM 212 C GLU A 420 1.859 -5.475 2.305 1.00 0.00 C ATOM 213 O GLU A 420 2.758 -5.497 3.125 1.00 0.00 O ATOM 214 CB GLU A 420 1.447 -7.942 2.537 1.00 0.00 C ATOM 215 CG GLU A 420 2.879 -8.284 2.983 1.00 0.00 C ATOM 216 CD GLU A 420 2.949 -8.344 4.512 1.00 0.00 C ATOM 217 OE1 GLU A 420 2.311 -7.521 5.147 1.00 0.00 O ATOM 218 OE2 GLU A 420 3.638 -9.213 5.019 1.00 0.00 O ATOM 0 H GLU A 420 3.228 -6.396 0.364 1.00 0.00 H new ATOM 0 HA GLU A 420 0.485 -6.600 1.087 1.00 0.00 H new ATOM 0 HB2 GLU A 420 0.839 -7.688 3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 420 0.987 -8.813 2.069 1.00 0.00 H new ATOM 0 HG2 GLU A 420 3.182 -9.241 2.559 1.00 0.00 H new ATOM 0 HG3 GLU A 420 3.575 -7.534 2.608 1.00 0.00 H new ATOM 225 N CYS A 421 1.200 -4.359 2.054 1.00 0.00 N ATOM 226 CA CYS A 421 1.562 -3.090 2.790 1.00 0.00 C ATOM 227 C CYS A 421 1.435 -3.310 4.310 1.00 0.00 C ATOM 228 O CYS A 421 0.491 -3.931 4.756 1.00 0.00 O ATOM 229 CB CYS A 421 0.545 -2.026 2.329 1.00 0.00 C ATOM 230 SG CYS A 421 0.899 -0.435 3.118 1.00 0.00 S ATOM 0 H CYS A 421 0.438 -4.270 1.382 1.00 0.00 H new ATOM 0 HA CYS A 421 2.587 -2.784 2.581 1.00 0.00 H new ATOM 0 HB2 CYS A 421 0.586 -1.919 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 421 -0.466 -2.347 2.579 1.00 0.00 H new ATOM 235 N PRO A 422 2.376 -2.783 5.068 1.00 0.00 N ATOM 236 CA PRO A 422 2.315 -2.934 6.545 1.00 0.00 C ATOM 237 C PRO A 422 1.127 -2.136 7.109 1.00 0.00 C ATOM 238 O PRO A 422 0.461 -2.581 8.025 1.00 0.00 O ATOM 239 CB PRO A 422 3.646 -2.356 7.024 1.00 0.00 C ATOM 240 CG PRO A 422 4.063 -1.419 5.939 1.00 0.00 C ATOM 241 CD PRO A 422 3.563 -2.014 4.652 1.00 0.00 C ATOM 0 HA PRO A 422 2.171 -3.965 6.869 1.00 0.00 H new ATOM 0 HB2 PRO A 422 3.533 -1.836 7.975 1.00 0.00 H new ATOM 0 HB3 PRO A 422 4.387 -3.141 7.176 1.00 0.00 H new ATOM 0 HG2 PRO A 422 3.641 -0.427 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 422 5.147 -1.305 5.919 1.00 0.00 H new ATOM 0 HD2 PRO A 422 3.307 -1.243 3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 422 4.313 -2.654 4.187 1.00 0.00 H new ATOM 249 N TYR A 423 0.843 -0.966 6.566 1.00 0.00 N ATOM 250 CA TYR A 423 -0.325 -0.162 7.085 1.00 0.00 C ATOM 251 C TYR A 423 -1.630 -0.966 6.936 1.00 0.00 C ATOM 252 O TYR A 423 -2.391 -1.090 7.877 1.00 0.00 O ATOM 253 CB TYR A 423 -0.381 1.126 6.237 1.00 0.00 C ATOM 254 CG TYR A 423 0.893 1.916 6.422 1.00 0.00 C ATOM 255 CD1 TYR A 423 1.412 2.136 7.733 1.00 0.00 C ATOM 256 CD2 TYR A 423 1.561 2.466 5.290 1.00 0.00 C ATOM 257 CE1 TYR A 423 2.598 2.896 7.910 1.00 0.00 C ATOM 258 CE2 TYR A 423 2.747 3.229 5.473 1.00 0.00 C ATOM 259 CZ TYR A 423 3.264 3.441 6.783 1.00 0.00 C ATOM 260 OH TYR A 423 4.416 4.170 6.964 1.00 0.00 O ATOM 0 H TYR A 423 1.360 -0.538 5.798 1.00 0.00 H new ATOM 0 HA TYR A 423 -0.207 0.073 8.143 1.00 0.00 H new ATOM 0 HB2 TYR A 423 -0.514 0.874 5.185 1.00 0.00 H new ATOM 0 HB3 TYR A 423 -1.240 1.729 6.531 1.00 0.00 H new ATOM 0 HD1 TYR A 423 0.902 1.724 8.591 1.00 0.00 H new ATOM 0 HD2 TYR A 423 1.168 2.304 4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 423 2.993 3.059 8.902 1.00 0.00 H new ATOM 0 HE2 TYR A 423 3.256 3.648 4.618 1.00 0.00 H new ATOM 0 HH TYR A 423 4.530 4.793 6.216 1.00 0.00 H new ATOM 270 N GLY A 424 -1.891 -1.528 5.770 1.00 0.00 N ATOM 271 CA GLY A 424 -3.139 -2.336 5.589 1.00 0.00 C ATOM 272 C GLY A 424 -4.330 -1.425 5.229 1.00 0.00 C ATOM 273 O GLY A 424 -4.196 -0.545 4.403 1.00 0.00 O ATOM 0 H GLY A 424 -1.295 -1.460 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 424 -2.989 -3.075 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 424 -3.359 -2.885 6.504 1.00 0.00 H new ATOM 277 N PRO A 425 -5.472 -1.668 5.852 1.00 0.00 N ATOM 278 CA PRO A 425 -6.685 -0.850 5.562 1.00 0.00 C ATOM 279 C PRO A 425 -6.499 0.601 6.040 1.00 0.00 C ATOM 280 O PRO A 425 -6.989 1.523 5.416 1.00 0.00 O ATOM 281 CB PRO A 425 -7.792 -1.552 6.347 1.00 0.00 C ATOM 282 CG PRO A 425 -7.082 -2.282 7.437 1.00 0.00 C ATOM 283 CD PRO A 425 -5.751 -2.695 6.871 1.00 0.00 C ATOM 0 HA PRO A 425 -6.904 -0.782 4.496 1.00 0.00 H new ATOM 0 HB2 PRO A 425 -8.506 -0.835 6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 425 -8.353 -2.238 5.712 1.00 0.00 H new ATOM 0 HG2 PRO A 425 -6.952 -1.644 8.311 1.00 0.00 H new ATOM 0 HG3 PRO A 425 -7.654 -3.152 7.759 1.00 0.00 H new ATOM 0 HD2 PRO A 425 -4.978 -2.717 7.640 1.00 0.00 H new ATOM 0 HD3 PRO A 425 -5.794 -3.692 6.433 1.00 0.00 H new ATOM 291 N SER A 426 -5.803 0.821 7.139 1.00 0.00 N ATOM 292 CA SER A 426 -5.603 2.229 7.640 1.00 0.00 C ATOM 293 C SER A 426 -4.356 2.857 6.990 1.00 0.00 C ATOM 294 O SER A 426 -3.488 3.370 7.672 1.00 0.00 O ATOM 295 CB SER A 426 -5.413 2.115 9.161 1.00 0.00 C ATOM 296 OG SER A 426 -5.979 3.254 9.795 1.00 0.00 O ATOM 0 H SER A 426 -5.368 0.094 7.707 1.00 0.00 H new ATOM 0 HA SER A 426 -6.452 2.865 7.391 1.00 0.00 H new ATOM 0 HB2 SER A 426 -5.888 1.206 9.531 1.00 0.00 H new ATOM 0 HB3 SER A 426 -4.352 2.041 9.401 1.00 0.00 H new ATOM 0 HG SER A 426 -5.860 3.181 10.765 1.00 0.00 H new ATOM 302 N CYS A 427 -4.255 2.815 5.677 1.00 0.00 N ATOM 303 CA CYS A 427 -3.062 3.401 4.989 1.00 0.00 C ATOM 304 C CYS A 427 -3.330 4.864 4.580 1.00 0.00 C ATOM 305 O CYS A 427 -3.987 5.132 3.593 1.00 0.00 O ATOM 306 CB CYS A 427 -2.826 2.533 3.747 1.00 0.00 C ATOM 307 SG CYS A 427 -1.149 2.817 3.156 1.00 0.00 S ATOM 0 H CYS A 427 -4.949 2.399 5.056 1.00 0.00 H new ATOM 0 HA CYS A 427 -2.191 3.411 5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 427 -2.968 1.480 3.989 1.00 0.00 H new ATOM 0 HB3 CYS A 427 -3.548 2.782 2.969 1.00 0.00 H new ATOM 312 N TYR A 428 -2.826 5.810 5.343 1.00 0.00 N ATOM 313 CA TYR A 428 -3.047 7.271 5.020 1.00 0.00 C ATOM 314 C TYR A 428 -2.126 7.779 3.863 1.00 0.00 C ATOM 315 O TYR A 428 -2.224 8.931 3.481 1.00 0.00 O ATOM 316 CB TYR A 428 -2.794 8.047 6.371 1.00 0.00 C ATOM 317 CG TYR A 428 -1.561 8.943 6.304 1.00 0.00 C ATOM 318 CD1 TYR A 428 -1.688 10.256 5.774 1.00 0.00 C ATOM 319 CD2 TYR A 428 -0.277 8.467 6.721 1.00 0.00 C ATOM 320 CE1 TYR A 428 -0.550 11.095 5.666 1.00 0.00 C ATOM 321 CE2 TYR A 428 0.852 9.305 6.601 1.00 0.00 C ATOM 322 CZ TYR A 428 0.722 10.619 6.077 1.00 0.00 C ATOM 323 OH TYR A 428 1.832 11.429 5.960 1.00 0.00 O ATOM 0 H TYR A 428 -2.268 5.638 6.180 1.00 0.00 H new ATOM 0 HA TYR A 428 -4.058 7.440 4.648 1.00 0.00 H new ATOM 0 HB2 TYR A 428 -3.668 8.653 6.608 1.00 0.00 H new ATOM 0 HB3 TYR A 428 -2.675 7.329 7.182 1.00 0.00 H new ATOM 0 HD1 TYR A 428 -2.654 10.616 5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 428 -0.173 7.471 7.126 1.00 0.00 H new ATOM 0 HE1 TYR A 428 -0.651 12.095 5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 428 1.822 8.945 6.910 1.00 0.00 H new ATOM 0 HH TYR A 428 2.622 10.951 6.287 1.00 0.00 H new ATOM 333 N ARG A 429 -1.253 6.964 3.294 1.00 0.00 N ATOM 334 CA ARG A 429 -0.384 7.485 2.181 1.00 0.00 C ATOM 335 C ARG A 429 -0.956 7.086 0.813 1.00 0.00 C ATOM 336 O ARG A 429 -1.446 5.987 0.636 1.00 0.00 O ATOM 337 CB ARG A 429 1.030 6.904 2.396 1.00 0.00 C ATOM 338 CG ARG A 429 1.067 5.392 2.144 1.00 0.00 C ATOM 339 CD ARG A 429 2.463 4.846 2.484 1.00 0.00 C ATOM 340 NE ARG A 429 3.350 5.169 1.308 1.00 0.00 N ATOM 341 CZ ARG A 429 4.432 4.447 1.047 1.00 0.00 C ATOM 342 NH1 ARG A 429 4.794 3.443 1.814 1.00 0.00 N ATOM 343 NH2 ARG A 429 5.173 4.746 0.011 1.00 0.00 N ATOM 0 H ARG A 429 -1.109 5.986 3.546 1.00 0.00 H new ATOM 0 HA ARG A 429 -0.346 8.574 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 429 1.733 7.401 1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 429 1.357 7.111 3.415 1.00 0.00 H new ATOM 0 HG2 ARG A 429 0.312 4.893 2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 429 0.827 5.181 1.102 1.00 0.00 H new ATOM 0 HD2 ARG A 429 2.847 5.304 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 429 2.427 3.771 2.658 1.00 0.00 H new ATOM 0 HE ARG A 429 3.114 5.956 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 429 4.238 3.202 2.634 1.00 0.00 H new ATOM 0 HH12 ARG A 429 5.631 2.905 1.589 1.00 0.00 H new ATOM 0 HH21 ARG A 429 4.917 5.530 -0.590 1.00 0.00 H new ATOM 0 HH22 ARG A 429 6.006 4.195 -0.196 1.00 0.00 H new ATOM 357 N LYS A 430 -0.902 7.979 -0.155 1.00 0.00 N ATOM 358 CA LYS A 430 -1.447 7.656 -1.504 1.00 0.00 C ATOM 359 C LYS A 430 -0.417 7.999 -2.592 1.00 0.00 C ATOM 360 O LYS A 430 -0.518 9.025 -3.240 1.00 0.00 O ATOM 361 CB LYS A 430 -2.689 8.537 -1.646 1.00 0.00 C ATOM 362 CG LYS A 430 -3.694 7.860 -2.582 1.00 0.00 C ATOM 363 CD LYS A 430 -4.414 8.923 -3.415 1.00 0.00 C ATOM 364 CE LYS A 430 -3.666 9.136 -4.735 1.00 0.00 C ATOM 365 NZ LYS A 430 -3.651 10.612 -4.933 1.00 0.00 N ATOM 0 H LYS A 430 -0.503 8.913 -0.062 1.00 0.00 H new ATOM 0 HA LYS A 430 -1.680 6.597 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 430 -3.142 8.704 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 430 -2.411 9.514 -2.040 1.00 0.00 H new ATOM 0 HG2 LYS A 430 -3.180 7.157 -3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 430 -4.417 7.286 -2.002 1.00 0.00 H new ATOM 0 HD2 LYS A 430 -5.440 8.611 -3.613 1.00 0.00 H new ATOM 0 HD3 LYS A 430 -4.467 9.860 -2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 430 -2.654 8.734 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 430 -4.169 8.632 -5.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 430 -3.155 10.838 -5.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 430 -4.628 10.965 -4.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 430 -3.160 11.064 -4.136 1.00 0.00 H new ATOM 379 N ASN A 431 0.565 7.149 -2.808 1.00 0.00 N ATOM 380 CA ASN A 431 1.583 7.439 -3.867 1.00 0.00 C ATOM 381 C ASN A 431 1.305 6.563 -5.096 1.00 0.00 C ATOM 382 O ASN A 431 0.537 5.626 -5.010 1.00 0.00 O ATOM 383 CB ASN A 431 2.940 7.083 -3.249 1.00 0.00 C ATOM 384 CG ASN A 431 3.520 8.313 -2.540 1.00 0.00 C ATOM 385 OD1 ASN A 431 3.033 8.708 -1.499 1.00 0.00 O ATOM 386 ND2 ASN A 431 4.546 8.943 -3.057 1.00 0.00 N ATOM 0 H ASN A 431 0.702 6.275 -2.300 1.00 0.00 H new ATOM 0 HA ASN A 431 1.558 8.480 -4.190 1.00 0.00 H new ATOM 0 HB2 ASN A 431 2.824 6.263 -2.540 1.00 0.00 H new ATOM 0 HB3 ASN A 431 3.625 6.740 -4.024 1.00 0.00 H new ATOM 0 HD21 ASN A 431 4.932 9.761 -2.586 1.00 0.00 H new ATOM 0 HD22 ASN A 431 4.958 8.615 -3.931 1.00 0.00 H new ATOM 393 N PRO A 432 1.932 6.886 -6.206 1.00 0.00 N ATOM 394 CA PRO A 432 1.716 6.088 -7.434 1.00 0.00 C ATOM 395 C PRO A 432 2.388 4.711 -7.297 1.00 0.00 C ATOM 396 O PRO A 432 1.767 3.695 -7.544 1.00 0.00 O ATOM 397 CB PRO A 432 2.362 6.929 -8.535 1.00 0.00 C ATOM 398 CG PRO A 432 3.375 7.782 -7.838 1.00 0.00 C ATOM 399 CD PRO A 432 2.882 7.992 -6.427 1.00 0.00 C ATOM 0 HA PRO A 432 0.665 5.885 -7.641 1.00 0.00 H new ATOM 0 HB2 PRO A 432 2.832 6.297 -9.288 1.00 0.00 H new ATOM 0 HB3 PRO A 432 1.620 7.540 -9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 432 4.351 7.297 -7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 432 3.493 8.736 -8.351 1.00 0.00 H new ATOM 0 HD2 PRO A 432 3.702 7.961 -5.710 1.00 0.00 H new ATOM 0 HD3 PRO A 432 2.397 8.962 -6.315 1.00 0.00 H new ATOM 407 N GLN A 433 3.648 4.663 -6.910 1.00 0.00 N ATOM 408 CA GLN A 433 4.338 3.343 -6.771 1.00 0.00 C ATOM 409 C GLN A 433 3.894 2.584 -5.494 1.00 0.00 C ATOM 410 O GLN A 433 4.116 1.392 -5.391 1.00 0.00 O ATOM 411 CB GLN A 433 5.860 3.634 -6.763 1.00 0.00 C ATOM 412 CG GLN A 433 6.296 4.361 -5.473 1.00 0.00 C ATOM 413 CD GLN A 433 6.362 3.379 -4.298 1.00 0.00 C ATOM 414 OE1 GLN A 433 5.826 3.653 -3.243 1.00 0.00 O ATOM 415 NE2 GLN A 433 6.993 2.243 -4.422 1.00 0.00 N ATOM 0 H GLN A 433 4.220 5.478 -6.687 1.00 0.00 H new ATOM 0 HA GLN A 433 4.073 2.688 -7.601 1.00 0.00 H new ATOM 0 HB2 GLN A 433 6.410 2.698 -6.856 1.00 0.00 H new ATOM 0 HB3 GLN A 433 6.118 4.243 -7.629 1.00 0.00 H new ATOM 0 HG2 GLN A 433 7.271 4.825 -5.622 1.00 0.00 H new ATOM 0 HG3 GLN A 433 5.593 5.163 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 433 7.446 2.005 -5.304 1.00 0.00 H new ATOM 0 HE22 GLN A 433 7.033 1.594 -3.637 1.00 0.00 H new ATOM 424 N HIS A 434 3.287 3.245 -4.513 1.00 0.00 N ATOM 425 CA HIS A 434 2.874 2.501 -3.262 1.00 0.00 C ATOM 426 C HIS A 434 1.670 1.576 -3.533 1.00 0.00 C ATOM 427 O HIS A 434 1.566 0.520 -2.936 1.00 0.00 O ATOM 428 CB HIS A 434 2.517 3.555 -2.193 1.00 0.00 C ATOM 429 CG HIS A 434 2.137 2.848 -0.913 1.00 0.00 C ATOM 430 ND1 HIS A 434 3.037 2.059 -0.204 1.00 0.00 N ATOM 431 CD2 HIS A 434 0.940 2.734 -0.251 1.00 0.00 C ATOM 432 CE1 HIS A 434 2.361 1.502 0.821 1.00 0.00 C ATOM 433 NE2 HIS A 434 1.086 1.881 0.826 1.00 0.00 N ATOM 0 H HIS A 434 3.066 4.241 -4.525 1.00 0.00 H new ATOM 0 HA HIS A 434 3.691 1.866 -2.920 1.00 0.00 H new ATOM 0 HB2 HIS A 434 3.365 4.218 -2.020 1.00 0.00 H new ATOM 0 HB3 HIS A 434 1.692 4.177 -2.539 1.00 0.00 H new ATOM 0 HD1 HIS A 434 4.025 1.926 -0.420 1.00 0.00 H new ATOM 0 HD2 HIS A 434 0.024 3.234 -0.529 1.00 0.00 H new ATOM 0 HE1 HIS A 434 2.799 0.833 1.546 1.00 0.00 H new ATOM 441 N LYS A 435 0.784 1.927 -4.443 1.00 0.00 N ATOM 442 CA LYS A 435 -0.375 1.004 -4.743 1.00 0.00 C ATOM 443 C LYS A 435 0.105 -0.166 -5.635 1.00 0.00 C ATOM 444 O LYS A 435 -0.515 -1.212 -5.673 1.00 0.00 O ATOM 445 CB LYS A 435 -1.435 1.839 -5.487 1.00 0.00 C ATOM 446 CG LYS A 435 -2.470 2.361 -4.489 1.00 0.00 C ATOM 447 CD LYS A 435 -1.998 3.696 -3.909 1.00 0.00 C ATOM 448 CE LYS A 435 -2.466 3.813 -2.456 1.00 0.00 C ATOM 449 NZ LYS A 435 -3.932 4.056 -2.542 1.00 0.00 N ATOM 0 H LYS A 435 0.808 2.792 -4.982 1.00 0.00 H new ATOM 0 HA LYS A 435 -0.789 0.582 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 435 -0.959 2.673 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 435 -1.923 1.231 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 435 -3.434 2.488 -4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 435 -2.615 1.636 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 435 -0.911 3.763 -3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 435 -2.396 4.522 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 435 -2.249 2.903 -1.897 1.00 0.00 H new ATOM 0 HE3 LYS A 435 -1.960 4.631 -1.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 435 -4.215 4.735 -1.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 435 -4.165 4.442 -3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 435 -4.441 3.160 -2.400 1.00 0.00 H new ATOM 463 N ILE A 436 1.222 -0.008 -6.327 1.00 0.00 N ATOM 464 CA ILE A 436 1.742 -1.132 -7.179 1.00 0.00 C ATOM 465 C ILE A 436 2.811 -1.939 -6.404 1.00 0.00 C ATOM 466 O ILE A 436 2.948 -3.128 -6.621 1.00 0.00 O ATOM 467 CB ILE A 436 2.273 -0.531 -8.534 1.00 0.00 C ATOM 468 CG1 ILE A 436 3.317 -1.474 -9.194 1.00 0.00 C ATOM 469 CG2 ILE A 436 2.879 0.870 -8.373 1.00 0.00 C ATOM 470 CD1 ILE A 436 4.722 -1.263 -8.589 1.00 0.00 C ATOM 0 H ILE A 436 1.786 0.842 -6.336 1.00 0.00 H new ATOM 0 HA ILE A 436 0.948 -1.839 -7.420 1.00 0.00 H new ATOM 0 HB ILE A 436 1.400 -0.440 -9.181 1.00 0.00 H new ATOM 0 HG12 ILE A 436 3.011 -2.511 -9.057 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.349 -1.290 -10.268 1.00 0.00 H new ATOM 0 HG21 ILE A 436 3.227 1.230 -9.341 1.00 0.00 H new ATOM 0 HG22 ILE A 436 2.122 1.551 -7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 436 3.719 0.826 -7.680 1.00 0.00 H new ATOM 0 HD11 ILE A 436 5.431 -1.937 -9.071 1.00 0.00 H new ATOM 0 HD12 ILE A 436 5.036 -0.231 -8.749 1.00 0.00 H new ATOM 0 HD13 ILE A 436 4.693 -1.472 -7.520 1.00 0.00 H new ATOM 482 N GLU A 437 3.573 -1.323 -5.516 1.00 0.00 N ATOM 483 CA GLU A 437 4.619 -2.115 -4.769 1.00 0.00 C ATOM 484 C GLU A 437 3.973 -3.008 -3.697 1.00 0.00 C ATOM 485 O GLU A 437 4.374 -4.141 -3.539 1.00 0.00 O ATOM 486 CB GLU A 437 5.590 -1.108 -4.116 1.00 0.00 C ATOM 487 CG GLU A 437 6.892 -1.056 -4.924 1.00 0.00 C ATOM 488 CD GLU A 437 7.595 -2.413 -4.850 1.00 0.00 C ATOM 489 OE1 GLU A 437 7.656 -2.969 -3.765 1.00 0.00 O ATOM 490 OE2 GLU A 437 8.062 -2.873 -5.879 1.00 0.00 O ATOM 0 H GLU A 437 3.519 -0.332 -5.281 1.00 0.00 H new ATOM 0 HA GLU A 437 5.152 -2.771 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 437 5.134 -0.119 -4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 437 5.799 -1.403 -3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 437 6.678 -0.802 -5.962 1.00 0.00 H new ATOM 0 HG3 GLU A 437 7.544 -0.275 -4.533 1.00 0.00 H new ATOM 497 N TYR A 438 3.000 -2.521 -2.944 1.00 0.00 N ATOM 498 CA TYR A 438 2.374 -3.372 -1.887 1.00 0.00 C ATOM 499 C TYR A 438 0.853 -3.493 -2.112 1.00 0.00 C ATOM 500 O TYR A 438 0.276 -2.754 -2.887 1.00 0.00 O ATOM 501 CB TYR A 438 2.652 -2.631 -0.576 1.00 0.00 C ATOM 502 CG TYR A 438 4.141 -2.558 -0.325 1.00 0.00 C ATOM 503 CD1 TYR A 438 4.831 -3.681 0.205 1.00 0.00 C ATOM 504 CD2 TYR A 438 4.849 -1.358 -0.607 1.00 0.00 C ATOM 505 CE1 TYR A 438 6.229 -3.605 0.453 1.00 0.00 C ATOM 506 CE2 TYR A 438 6.247 -1.282 -0.361 1.00 0.00 C ATOM 507 CZ TYR A 438 6.937 -2.406 0.170 1.00 0.00 C ATOM 508 OH TYR A 438 8.294 -2.332 0.412 1.00 0.00 O ATOM 0 H TYR A 438 2.621 -1.577 -3.022 1.00 0.00 H new ATOM 0 HA TYR A 438 2.775 -4.386 -1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 438 2.234 -1.626 -0.622 1.00 0.00 H new ATOM 0 HB3 TYR A 438 2.161 -3.143 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 438 4.293 -4.593 0.420 1.00 0.00 H new ATOM 0 HD2 TYR A 438 4.324 -0.504 -1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 438 6.753 -4.459 0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 438 6.785 -0.371 -0.577 1.00 0.00 H new ATOM 0 HH TYR A 438 8.623 -1.443 0.162 1.00 0.00 H new ATOM 518 N ARG A 439 0.192 -4.393 -1.408 1.00 0.00 N ATOM 519 CA ARG A 439 -1.294 -4.530 -1.545 1.00 0.00 C ATOM 520 C ARG A 439 -1.933 -4.318 -0.165 1.00 0.00 C ATOM 521 O ARG A 439 -1.283 -4.515 0.847 1.00 0.00 O ATOM 522 CB ARG A 439 -1.553 -5.957 -2.054 1.00 0.00 C ATOM 523 CG ARG A 439 -1.006 -6.995 -1.061 1.00 0.00 C ATOM 524 CD ARG A 439 -1.703 -8.346 -1.289 1.00 0.00 C ATOM 525 NE ARG A 439 -1.055 -9.320 -0.337 1.00 0.00 N ATOM 526 CZ ARG A 439 -1.044 -10.620 -0.589 1.00 0.00 C ATOM 527 NH1 ARG A 439 -1.654 -11.124 -1.637 1.00 0.00 N ATOM 528 NH2 ARG A 439 -0.433 -11.432 0.236 1.00 0.00 N ATOM 0 H ARG A 439 0.623 -5.037 -0.745 1.00 0.00 H new ATOM 0 HA ARG A 439 -1.719 -3.800 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 439 -2.623 -6.110 -2.195 1.00 0.00 H new ATOM 0 HB3 ARG A 439 -1.081 -6.093 -3.027 1.00 0.00 H new ATOM 0 HG2 ARG A 439 0.071 -7.104 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 439 -1.172 -6.657 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 439 -2.773 -8.269 -1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 439 -1.586 -8.675 -2.322 1.00 0.00 H new ATOM 0 HE ARG A 439 -0.618 -8.971 0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 439 -2.152 -10.510 -2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 439 -1.629 -12.129 -1.807 1.00 0.00 H new ATOM 0 HH21 ARG A 439 0.030 -11.062 1.066 1.00 0.00 H new ATOM 0 HH22 ARG A 439 -0.420 -12.435 0.049 1.00 0.00 H new ATOM 542 N HIS A 440 -3.177 -3.895 -0.096 1.00 0.00 N ATOM 543 CA HIS A 440 -3.799 -3.652 1.250 1.00 0.00 C ATOM 544 C HIS A 440 -4.853 -4.717 1.631 1.00 0.00 C ATOM 545 O HIS A 440 -5.243 -4.796 2.782 1.00 0.00 O ATOM 546 CB HIS A 440 -4.426 -2.255 1.142 1.00 0.00 C ATOM 547 CG HIS A 440 -3.320 -1.263 0.896 1.00 0.00 C ATOM 548 ND1 HIS A 440 -2.857 -0.978 -0.381 1.00 0.00 N ATOM 549 CD2 HIS A 440 -2.521 -0.545 1.752 1.00 0.00 C ATOM 550 CE1 HIS A 440 -1.817 -0.133 -0.256 1.00 0.00 C ATOM 551 NE2 HIS A 440 -1.578 0.162 1.024 1.00 0.00 N ATOM 0 H HIS A 440 -3.779 -3.710 -0.898 1.00 0.00 H new ATOM 0 HA HIS A 440 -3.054 -3.718 2.043 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -5.152 -2.225 0.329 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -4.963 -2.007 2.058 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.236 -1.343 -1.255 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.614 -0.533 2.828 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -1.247 0.257 -1.086 1.00 0.00 H new ATOM 559 N ASN A 441 -5.322 -5.539 0.708 1.00 0.00 N ATOM 560 CA ASN A 441 -6.336 -6.571 1.076 1.00 0.00 C ATOM 561 C ASN A 441 -5.859 -7.956 0.606 1.00 0.00 C ATOM 562 O ASN A 441 -5.558 -8.150 -0.555 1.00 0.00 O ATOM 563 CB ASN A 441 -7.625 -6.145 0.360 1.00 0.00 C ATOM 564 CG ASN A 441 -7.412 -6.141 -1.159 1.00 0.00 C ATOM 565 OD1 ASN A 441 -7.640 -7.139 -1.811 1.00 0.00 O ATOM 566 ND2 ASN A 441 -6.976 -5.060 -1.759 1.00 0.00 N ATOM 0 H ASN A 441 -5.044 -5.533 -0.273 1.00 0.00 H new ATOM 0 HA ASN A 441 -6.494 -6.643 2.152 1.00 0.00 H new ATOM 0 HB2 ASN A 441 -8.435 -6.826 0.619 1.00 0.00 H new ATOM 0 HB3 ASN A 441 -7.924 -5.152 0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 441 -6.830 -5.061 -2.769 1.00 0.00 H new ATOM 0 HD22 ASN A 441 -6.783 -4.218 -1.216 1.00 0.00 H new ATOM 573 N THR A 442 -5.778 -8.914 1.503 1.00 0.00 N ATOM 574 CA THR A 442 -5.309 -10.283 1.115 1.00 0.00 C ATOM 575 C THR A 442 -6.504 -11.245 0.989 1.00 0.00 C ATOM 576 O THR A 442 -6.516 -12.308 1.585 1.00 0.00 O ATOM 577 CB THR A 442 -4.370 -10.736 2.241 1.00 0.00 C ATOM 578 OG1 THR A 442 -3.837 -9.596 2.901 1.00 0.00 O ATOM 579 CG2 THR A 442 -3.228 -11.564 1.655 1.00 0.00 C ATOM 0 H THR A 442 -6.017 -8.805 2.488 1.00 0.00 H new ATOM 0 HA THR A 442 -4.803 -10.276 0.150 1.00 0.00 H new ATOM 0 HB THR A 442 -4.928 -11.343 2.954 1.00 0.00 H new ATOM 0 HG1 THR A 442 -3.239 -9.885 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 442 -2.562 -11.885 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 442 -3.636 -12.440 1.150 1.00 0.00 H new ATOM 0 HG23 THR A 442 -2.670 -10.959 0.940 1.00 0.00 H new ATOM 587 N LEU A 443 -7.506 -10.883 0.218 1.00 0.00 N ATOM 588 CA LEU A 443 -8.694 -11.795 0.063 1.00 0.00 C ATOM 589 C LEU A 443 -8.450 -12.811 -1.068 1.00 0.00 C ATOM 590 O LEU A 443 -7.715 -12.531 -1.995 1.00 0.00 O ATOM 591 CB LEU A 443 -9.893 -10.897 -0.276 1.00 0.00 C ATOM 592 CG LEU A 443 -10.600 -10.478 1.012 1.00 0.00 C ATOM 593 CD1 LEU A 443 -9.669 -9.591 1.841 1.00 0.00 C ATOM 594 CD2 LEU A 443 -11.866 -9.695 0.659 1.00 0.00 C ATOM 0 H LEU A 443 -7.555 -10.009 -0.305 1.00 0.00 H new ATOM 0 HA LEU A 443 -8.873 -12.363 0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 443 -9.557 -10.015 -0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 443 -10.587 -11.430 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 443 -10.864 -11.364 1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 443 -10.174 -9.292 2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 443 -8.763 -10.145 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 443 -9.406 -8.703 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 443 -12.375 -9.394 1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 443 -11.597 -8.809 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 443 -12.530 -10.324 0.066 1.00 0.00 H new ATOM 606 N PRO A 444 -9.076 -13.969 -0.958 1.00 0.00 N ATOM 607 CA PRO A 444 -8.910 -15.021 -1.995 1.00 0.00 C ATOM 608 C PRO A 444 -9.676 -14.649 -3.275 1.00 0.00 C ATOM 609 O PRO A 444 -10.874 -14.442 -3.245 1.00 0.00 O ATOM 610 CB PRO A 444 -9.516 -16.264 -1.348 1.00 0.00 C ATOM 611 CG PRO A 444 -10.487 -15.746 -0.337 1.00 0.00 C ATOM 612 CD PRO A 444 -9.979 -14.404 0.122 1.00 0.00 C ATOM 0 HA PRO A 444 -7.871 -15.161 -2.293 1.00 0.00 H new ATOM 0 HB2 PRO A 444 -10.015 -16.890 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 444 -8.748 -16.877 -0.878 1.00 0.00 H new ATOM 0 HG2 PRO A 444 -11.482 -15.652 -0.772 1.00 0.00 H new ATOM 0 HG3 PRO A 444 -10.570 -16.434 0.504 1.00 0.00 H new ATOM 0 HD2 PRO A 444 -10.796 -13.697 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 444 -9.453 -14.482 1.073 1.00 0.00 H new ATOM 620 N VAL A 445 -8.997 -14.567 -4.403 1.00 0.00 N ATOM 621 CA VAL A 445 -9.697 -14.212 -5.675 1.00 0.00 C ATOM 622 C VAL A 445 -9.190 -15.108 -6.816 1.00 0.00 C ATOM 623 O VAL A 445 -8.851 -14.632 -7.882 1.00 0.00 O ATOM 624 CB VAL A 445 -9.345 -12.743 -5.934 1.00 0.00 C ATOM 625 CG1 VAL A 445 -10.042 -12.264 -7.208 1.00 0.00 C ATOM 626 CG2 VAL A 445 -9.811 -11.887 -4.752 1.00 0.00 C ATOM 0 H VAL A 445 -7.994 -14.731 -4.491 1.00 0.00 H new ATOM 0 HA VAL A 445 -10.775 -14.357 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 445 -8.265 -12.649 -6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 445 -9.790 -11.219 -7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 445 -9.712 -12.869 -8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 445 -11.121 -12.362 -7.091 1.00 0.00 H new ATOM 0 HG21 VAL A 445 -9.560 -10.843 -4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 445 -10.890 -11.985 -4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 445 -9.315 -12.223 -3.841 1.00 0.00 H new ATOM 636 N ARG A 446 -9.146 -16.410 -6.602 1.00 0.00 N ATOM 637 CA ARG A 446 -8.668 -17.351 -7.682 1.00 0.00 C ATOM 638 C ARG A 446 -8.705 -18.820 -7.207 1.00 0.00 C ATOM 639 O ARG A 446 -9.145 -19.688 -7.938 1.00 0.00 O ATOM 640 CB ARG A 446 -7.224 -16.936 -8.044 1.00 0.00 C ATOM 641 CG ARG A 446 -6.348 -16.818 -6.789 1.00 0.00 C ATOM 642 CD ARG A 446 -5.230 -15.805 -7.043 1.00 0.00 C ATOM 643 NE ARG A 446 -4.195 -16.556 -7.818 1.00 0.00 N ATOM 644 CZ ARG A 446 -3.417 -17.454 -7.234 1.00 0.00 C ATOM 645 NH1 ARG A 446 -3.523 -17.724 -5.952 1.00 0.00 N ATOM 646 NH2 ARG A 446 -2.520 -18.091 -7.942 1.00 0.00 N ATOM 0 H ARG A 446 -9.419 -16.861 -5.729 1.00 0.00 H new ATOM 0 HA ARG A 446 -9.323 -17.285 -8.551 1.00 0.00 H new ATOM 0 HB2 ARG A 446 -6.792 -17.670 -8.724 1.00 0.00 H new ATOM 0 HB3 ARG A 446 -7.239 -15.982 -8.571 1.00 0.00 H new ATOM 0 HG2 ARG A 446 -6.953 -16.503 -5.938 1.00 0.00 H new ATOM 0 HG3 ARG A 446 -5.923 -17.789 -6.536 1.00 0.00 H new ATOM 0 HD2 ARG A 446 -5.596 -14.945 -7.604 1.00 0.00 H new ATOM 0 HD3 ARG A 446 -4.822 -15.424 -6.107 1.00 0.00 H new ATOM 0 HE ARG A 446 -4.086 -16.373 -8.816 1.00 0.00 H new ATOM 0 HH11 ARG A 446 -4.216 -17.237 -5.384 1.00 0.00 H new ATOM 0 HH12 ARG A 446 -2.912 -18.420 -5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 446 -2.423 -17.895 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 446 -1.918 -18.784 -7.498 1.00 0.00 H new ATOM 660 N ASN A 447 -8.258 -19.114 -5.999 1.00 0.00 N ATOM 661 CA ASN A 447 -8.292 -20.530 -5.516 1.00 0.00 C ATOM 662 C ASN A 447 -9.353 -20.681 -4.417 1.00 0.00 C ATOM 663 O ASN A 447 -9.038 -20.659 -3.242 1.00 0.00 O ATOM 664 CB ASN A 447 -6.893 -20.806 -4.957 1.00 0.00 C ATOM 665 CG ASN A 447 -6.597 -22.308 -5.038 1.00 0.00 C ATOM 666 OD1 ASN A 447 -6.756 -23.019 -4.065 1.00 0.00 O ATOM 667 ND2 ASN A 447 -6.171 -22.831 -6.162 1.00 0.00 N ATOM 0 H ASN A 447 -7.876 -18.438 -5.338 1.00 0.00 H new ATOM 0 HA ASN A 447 -8.549 -21.230 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 447 -6.147 -20.247 -5.522 1.00 0.00 H new ATOM 0 HB3 ASN A 447 -6.830 -20.467 -3.923 1.00 0.00 H new ATOM 0 HD21 ASN A 447 -5.975 -23.830 -6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 447 -6.036 -22.239 -6.981 1.00 0.00 H new ATOM 674 N VAL A 448 -10.609 -20.837 -4.785 1.00 0.00 N ATOM 675 CA VAL A 448 -11.681 -20.990 -3.751 1.00 0.00 C ATOM 676 C VAL A 448 -12.554 -22.216 -4.078 1.00 0.00 C ATOM 677 O VAL A 448 -13.755 -22.197 -3.891 1.00 0.00 O ATOM 678 CB VAL A 448 -12.506 -19.699 -3.827 1.00 0.00 C ATOM 679 CG1 VAL A 448 -13.601 -19.724 -2.759 1.00 0.00 C ATOM 680 CG2 VAL A 448 -11.598 -18.488 -3.583 1.00 0.00 C ATOM 0 H VAL A 448 -10.932 -20.864 -5.752 1.00 0.00 H new ATOM 0 HA VAL A 448 -11.273 -21.145 -2.752 1.00 0.00 H new ATOM 0 HB VAL A 448 -12.958 -19.625 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 448 -14.185 -18.806 -2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 448 -14.254 -20.580 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 448 -13.145 -19.804 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 448 -12.189 -17.573 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 448 -11.143 -18.567 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 448 -10.816 -18.461 -4.342 1.00 0.00 H new ATOM 690 N LEU A 449 -11.959 -23.290 -4.568 1.00 0.00 N ATOM 691 CA LEU A 449 -12.761 -24.523 -4.908 1.00 0.00 C ATOM 692 C LEU A 449 -11.841 -25.619 -5.466 1.00 0.00 C ATOM 693 O LEU A 449 -11.866 -26.751 -5.024 1.00 0.00 O ATOM 694 CB LEU A 449 -13.774 -24.085 -5.980 1.00 0.00 C ATOM 695 CG LEU A 449 -15.186 -24.084 -5.388 1.00 0.00 C ATOM 696 CD1 LEU A 449 -16.010 -22.968 -6.034 1.00 0.00 C ATOM 697 CD2 LEU A 449 -15.854 -25.433 -5.662 1.00 0.00 C ATOM 0 H LEU A 449 -10.958 -23.366 -4.746 1.00 0.00 H new ATOM 0 HA LEU A 449 -13.258 -24.932 -4.028 1.00 0.00 H new ATOM 0 HB2 LEU A 449 -13.522 -23.090 -6.346 1.00 0.00 H new ATOM 0 HB3 LEU A 449 -13.728 -24.760 -6.834 1.00 0.00 H new ATOM 0 HG LEU A 449 -15.128 -23.917 -4.312 1.00 0.00 H new ATOM 0 HD11 LEU A 449 -17.015 -22.967 -5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 449 -15.535 -22.006 -5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 449 -16.068 -23.134 -7.110 1.00 0.00 H new ATOM 0 HD21 LEU A 449 -16.859 -25.433 -5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 449 -15.911 -25.599 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 449 -15.268 -26.229 -5.203 1.00 0.00 H new ATOM 709 N ASP A 450 -11.026 -25.280 -6.437 1.00 0.00 N ATOM 710 CA ASP A 450 -10.088 -26.278 -7.044 1.00 0.00 C ATOM 711 C ASP A 450 -10.851 -27.531 -7.510 1.00 0.00 C ATOM 712 O ASP A 450 -11.110 -28.427 -6.729 1.00 0.00 O ATOM 713 CB ASP A 450 -9.095 -26.635 -5.933 1.00 0.00 C ATOM 714 CG ASP A 450 -7.755 -27.032 -6.554 1.00 0.00 C ATOM 715 OD1 ASP A 450 -7.680 -28.114 -7.112 1.00 0.00 O ATOM 716 OD2 ASP A 450 -6.825 -26.248 -6.460 1.00 0.00 O ATOM 0 H ASP A 450 -10.970 -24.344 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 450 -9.585 -25.874 -7.922 1.00 0.00 H new ATOM 0 HB2 ASP A 450 -8.960 -25.785 -5.264 1.00 0.00 H new ATOM 0 HB3 ASP A 450 -9.486 -27.455 -5.331 1.00 0.00 H new ATOM 721 N GLU A 451 -11.213 -27.603 -8.776 1.00 0.00 N ATOM 722 CA GLU A 451 -11.955 -28.799 -9.275 1.00 0.00 C ATOM 723 C GLU A 451 -11.229 -29.408 -10.478 1.00 0.00 C ATOM 724 O GLU A 451 -11.622 -30.483 -10.899 1.00 0.00 O ATOM 725 CB GLU A 451 -13.328 -28.269 -9.689 1.00 0.00 C ATOM 726 CG GLU A 451 -14.103 -27.831 -8.444 1.00 0.00 C ATOM 727 CD GLU A 451 -14.857 -29.030 -7.865 1.00 0.00 C ATOM 728 OE1 GLU A 451 -14.243 -29.798 -7.143 1.00 0.00 O ATOM 729 OE2 GLU A 451 -16.036 -29.158 -8.152 1.00 0.00 O ATOM 730 OXT GLU A 451 -10.294 -28.788 -10.956 1.00 0.00 O ATOM 0 H GLU A 451 -11.025 -26.886 -9.477 1.00 0.00 H new ATOM 0 HA GLU A 451 -12.031 -29.582 -8.521 1.00 0.00 H new ATOM 0 HB2 GLU A 451 -13.214 -27.429 -10.374 1.00 0.00 H new ATOM 0 HB3 GLU A 451 -13.882 -29.041 -10.222 1.00 0.00 H new ATOM 0 HG2 GLU A 451 -13.418 -27.425 -7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 451 -14.804 -27.036 -8.700 1.00 0.00 H new TER 737 GLU A 451 HETATM 738 ZN ZN A1001 -0.209 1.182 1.939 1.00 0.00 ZN HETATM 739 O5' ADN A1002 7.510 8.245 11.256 1.00 0.00 O HETATM 740 C5' ADN A1002 6.095 8.159 11.120 1.00 0.00 C HETATM 741 C4' ADN A1002 5.720 7.948 9.673 1.00 0.00 C HETATM 742 O4' ADN A1002 4.948 6.726 9.560 1.00 0.00 O HETATM 743 C3' ADN A1002 4.822 9.021 9.073 1.00 0.00 C HETATM 744 O3' ADN A1002 5.561 10.128 8.573 1.00 0.00 O HETATM 745 C2' ADN A1002 4.116 8.276 7.944 1.00 0.00 C HETATM 746 O2' ADN A1002 4.934 8.242 6.780 1.00 0.00 O HETATM 747 C1' ADN A1002 3.971 6.873 8.547 1.00 0.00 C HETATM 748 N9 ADN A1002 2.649 6.576 9.104 1.00 0.00 N HETATM 749 C8 ADN A1002 2.176 6.827 10.368 1.00 0.00 C HETATM 750 N7 ADN A1002 0.940 6.438 10.568 1.00 0.00 N HETATM 751 C5 ADN A1002 0.568 5.891 9.352 1.00 0.00 C HETATM 752 C6 ADN A1002 -0.641 5.284 8.885 1.00 0.00 C HETATM 753 N6 ADN A1002 -1.729 5.133 9.642 1.00 0.00 N HETATM 754 N1 ADN A1002 -0.677 4.836 7.589 1.00 0.00 N HETATM 755 C2 ADN A1002 0.431 4.990 6.812 1.00 0.00 C HETATM 756 N3 ADN A1002 1.618 5.542 7.145 1.00 0.00 N HETATM 757 C4 ADN A1002 1.617 5.973 8.434 1.00 0.00 C HETATM 0 HO5' ADN A1002 7.740 8.384 12.198 1.00 0.00 H new HETATM 0 HO3' ADN A1002 5.724 10.006 7.614 1.00 0.00 H new HETATM 0 HN62 ADN A1002 -2.563 4.692 9.254 1.00 0.00 H new HETATM 0 HN61 ADN A1002 -1.727 5.458 10.609 1.00 0.00 H new HETATM 0 H5'2 ADN A1002 5.714 7.336 11.725 1.00 0.00 H new HETATM 0 H5'1 ADN A1002 5.631 9.072 11.494 1.00 0.00 H new HETATM 0 H8 ADN A1002 2.777 7.309 11.140 1.00 0.00 H new HETATM 0 H4' ADN A1002 6.672 7.946 9.143 1.00 0.00 H new HETATM 0 H3' ADN A1002 4.142 9.456 9.806 1.00 0.00 H new HETATM 0 H2' ADN A1002 3.174 8.726 7.629 1.00 0.00 H new HETATM 0 H2 ADN A1002 0.349 4.620 5.790 1.00 0.00 H new HETATM 0 H1' ADN A1002 4.108 6.166 7.729 1.00 0.00 H new HETATM 770 O5' RIB A1003 3.089 10.118 2.588 1.00 0.00 O HETATM 771 C5' RIB A1003 3.781 8.885 2.410 1.00 0.00 C HETATM 772 C4' RIB A1003 4.861 8.731 3.462 1.00 0.00 C HETATM 773 O4' RIB A1003 4.382 9.215 4.741 1.00 0.00 O HETATM 774 C3' RIB A1003 5.340 7.310 3.720 1.00 0.00 C HETATM 775 O3' RIB A1003 6.722 7.294 4.060 1.00 0.00 O HETATM 776 C2' RIB A1003 4.467 6.823 4.877 1.00 0.00 C HETATM 777 O2' RIB A1003 5.227 5.986 5.724 1.00 0.00 O HETATM 778 C1' RIB A1003 4.134 8.125 5.611 1.00 0.00 C HETATM 0 HO5' RIB A1003 3.159 10.400 3.524 1.00 0.00 H new HETATM 0 HO3' RIB A1003 6.871 6.664 4.796 1.00 0.00 H new HETATM 0 HO2' RIB A1003 5.682 6.531 6.400 1.00 0.00 H new HETATM 0 H5'2 RIB A1003 3.079 8.054 2.475 1.00 0.00 H new HETATM 0 H5'1 RIB A1003 4.225 8.850 1.415 1.00 0.00 H new HETATM 0 H4' RIB A1003 5.695 9.301 3.052 1.00 0.00 H new HETATM 0 H3' RIB A1003 5.250 6.669 2.843 1.00 0.00 H new HETATM 0 H2' RIB A1003 3.591 6.257 4.560 1.00 0.00 H new