USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 336 hydrogens (0 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 Set 1.1: B 442 ASN : amide:sc= 0.25 K(o=0.51,f=-1.5) USER MOD Set 1.2: B 451 LYS NZ :NH3+ -131:sc= 0.26 (180deg=0) USER MOD Set 2.1: B 435 ASN : amide:sc= 0.506 K(o=0.091,f=-4.6!) USER MOD Set 2.2: B 437 ASN : amide:sc= -0.415 K(o=0.091,f=-2.2!) USER MOD Single : A 1 U O2' : rot 147:sc= 0.918 USER MOD Single : A 1 U O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot 180:sc= -0.657 USER MOD Single : A 3 G O2' : rot 20:sc= 0.233 USER MOD Single : A 4 U O2' : rot 10:sc= 0.393 USER MOD Single : A 5 G O2' : rot 178:sc= 0 USER MOD Single : A 5 G O3' : rot 130:sc= 0.175 USER MOD Single : B 418 SER OG : rot 100:sc= 0.0387 USER MOD Single : B 420 GLN : amide:sc= -0.212 K(o=-0.21,f=-1.5) USER MOD Single : B 421 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : B 427 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 430 ASN : amide:sc= -0.366 K(o=-0.37,f=-6.2!) USER MOD Single : B 432 THR OG1 : rot 180:sc= 0 USER MOD Single : B 436 MET CE :methyl 166:sc= -0.08 (180deg=-0.698) USER MOD Single : B 439 SER OG : rot -67:sc= 0.809 USER MOD Single : B 445 ASN : amide:sc= -0.336 K(o=-0.34,f=-2.1!) USER MOD Single : B 446 GLN : amide:sc= 0.548 K(o=0.55,f=-1.2) USER MOD Single : B 448 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY B 414 -22.069 14.510 -17.316 1.00 0.00 N ATOM 2 CA GLY B 414 -20.750 13.991 -16.913 1.00 0.00 C ATOM 3 C GLY B 414 -20.890 12.701 -16.110 1.00 0.00 C ATOM 4 O GLY B 414 -22.002 12.230 -15.881 1.00 0.00 O ATOM 0 HA2 GLY B 414 -20.142 13.808 -17.799 1.00 0.00 H new ATOM 0 HA3 GLY B 414 -20.228 14.739 -16.317 1.00 0.00 H new ATOM 10 N PRO B 415 -19.759 12.127 -15.679 1.00 0.00 N ATOM 11 CA PRO B 415 -19.719 10.900 -14.900 1.00 0.00 C ATOM 12 C PRO B 415 -20.263 11.137 -13.491 1.00 0.00 C ATOM 13 O PRO B 415 -20.399 12.280 -13.055 1.00 0.00 O ATOM 14 CB PRO B 415 -18.245 10.494 -14.858 1.00 0.00 C ATOM 15 CG PRO B 415 -17.496 11.816 -15.045 1.00 0.00 C ATOM 16 CD PRO B 415 -18.429 12.643 -15.925 1.00 0.00 C ATOM 0 HA PRO B 415 -20.338 10.118 -15.341 1.00 0.00 H new ATOM 0 HB2 PRO B 415 -17.988 10.019 -13.911 1.00 0.00 H new ATOM 0 HB3 PRO B 415 -18.004 9.782 -15.648 1.00 0.00 H new ATOM 0 HG2 PRO B 415 -17.307 12.307 -14.090 1.00 0.00 H new ATOM 0 HG3 PRO B 415 -16.528 11.663 -15.522 1.00 0.00 H new ATOM 0 HD2 PRO B 415 -18.367 13.702 -15.674 1.00 0.00 H new ATOM 0 HD3 PRO B 415 -18.161 12.548 -16.977 1.00 0.00 H new ATOM 24 N LEU B 416 -20.575 10.050 -12.778 1.00 0.00 N ATOM 25 CA LEU B 416 -21.106 10.134 -11.423 1.00 0.00 C ATOM 26 C LEU B 416 -20.004 10.490 -10.423 1.00 0.00 C ATOM 27 O LEU B 416 -20.298 10.771 -9.263 1.00 0.00 O ATOM 28 CB LEU B 416 -21.756 8.796 -11.051 1.00 0.00 C ATOM 29 CG LEU B 416 -22.874 8.412 -12.026 1.00 0.00 C ATOM 30 CD1 LEU B 416 -23.432 7.046 -11.638 1.00 0.00 C ATOM 31 CD2 LEU B 416 -24.012 9.436 -11.984 1.00 0.00 C ATOM 0 H LEU B 416 -20.466 9.097 -13.124 1.00 0.00 H new ATOM 0 HA LEU B 416 -21.855 10.925 -11.385 1.00 0.00 H new ATOM 0 HB2 LEU B 416 -20.997 8.014 -11.043 1.00 0.00 H new ATOM 0 HB3 LEU B 416 -22.161 8.858 -10.041 1.00 0.00 H new ATOM 0 HG LEU B 416 -22.458 8.386 -13.033 1.00 0.00 H new ATOM 0 HD11 LEU B 416 -24.228 6.768 -12.329 1.00 0.00 H new ATOM 0 HD12 LEU B 416 -22.637 6.302 -11.683 1.00 0.00 H new ATOM 0 HD13 LEU B 416 -23.831 7.090 -10.624 1.00 0.00 H new ATOM 0 HD21 LEU B 416 -24.793 9.141 -12.685 1.00 0.00 H new ATOM 0 HD22 LEU B 416 -24.426 9.479 -10.977 1.00 0.00 H new ATOM 0 HD23 LEU B 416 -23.628 10.418 -12.261 1.00 0.00 H new ATOM 43 N GLY B 417 -18.744 10.481 -10.863 1.00 0.00 N ATOM 44 CA GLY B 417 -17.622 10.829 -10.008 1.00 0.00 C ATOM 45 C GLY B 417 -16.297 10.574 -10.718 1.00 0.00 C ATOM 46 O GLY B 417 -16.273 10.018 -11.817 1.00 0.00 O ATOM 0 H GLY B 417 -18.480 10.233 -11.817 1.00 0.00 H new ATOM 0 HA2 GLY B 417 -17.690 11.879 -9.722 1.00 0.00 H new ATOM 0 HA3 GLY B 417 -17.665 10.245 -9.089 1.00 0.00 H new ATOM 50 N SER B 418 -15.193 10.980 -10.086 1.00 0.00 N ATOM 51 CA SER B 418 -13.855 10.809 -10.637 1.00 0.00 C ATOM 52 C SER B 418 -12.816 10.858 -9.511 1.00 0.00 C ATOM 53 O SER B 418 -13.163 11.093 -8.351 1.00 0.00 O ATOM 54 CB SER B 418 -13.584 11.902 -11.674 1.00 0.00 C ATOM 55 OG SER B 418 -13.588 13.171 -11.058 1.00 0.00 O ATOM 0 H SER B 418 -15.207 11.438 -9.175 1.00 0.00 H new ATOM 0 HA SER B 418 -13.784 9.838 -11.127 1.00 0.00 H new ATOM 0 HB2 SER B 418 -12.622 11.726 -12.155 1.00 0.00 H new ATOM 0 HB3 SER B 418 -14.342 11.867 -12.456 1.00 0.00 H new ATOM 0 HG SER B 418 -12.665 13.461 -10.900 1.00 0.00 H new ATOM 61 N GLY B 419 -11.545 10.637 -9.851 1.00 0.00 N ATOM 62 CA GLY B 419 -10.470 10.646 -8.872 1.00 0.00 C ATOM 63 C GLY B 419 -10.475 9.369 -8.039 1.00 0.00 C ATOM 64 O GLY B 419 -11.089 8.372 -8.418 1.00 0.00 O ATOM 0 H GLY B 419 -11.239 10.449 -10.806 1.00 0.00 H new ATOM 0 HA2 GLY B 419 -9.511 10.748 -9.381 1.00 0.00 H new ATOM 0 HA3 GLY B 419 -10.577 11.511 -8.218 1.00 0.00 H new ATOM 68 N GLN B 420 -9.782 9.405 -6.895 1.00 0.00 N ATOM 69 CA GLN B 420 -9.654 8.245 -6.022 1.00 0.00 C ATOM 70 C GLN B 420 -10.939 7.972 -5.233 1.00 0.00 C ATOM 71 O GLN B 420 -11.028 6.953 -4.552 1.00 0.00 O ATOM 72 CB GLN B 420 -8.472 8.457 -5.070 1.00 0.00 C ATOM 73 CG GLN B 420 -7.163 8.675 -5.835 1.00 0.00 C ATOM 74 CD GLN B 420 -6.770 7.458 -6.674 1.00 0.00 C ATOM 75 OE1 GLN B 420 -7.270 6.357 -6.467 1.00 0.00 O ATOM 76 NE2 GLN B 420 -5.867 7.656 -7.629 1.00 0.00 N ATOM 0 H GLN B 420 -9.299 10.236 -6.555 1.00 0.00 H new ATOM 0 HA GLN B 420 -9.474 7.369 -6.645 1.00 0.00 H new ATOM 0 HB2 GLN B 420 -8.669 9.318 -4.431 1.00 0.00 H new ATOM 0 HB3 GLN B 420 -8.372 7.591 -4.415 1.00 0.00 H new ATOM 0 HG2 GLN B 420 -7.265 9.544 -6.485 1.00 0.00 H new ATOM 0 HG3 GLN B 420 -6.365 8.899 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN B 420 -5.472 8.585 -7.773 1.00 0.00 H new ATOM 0 HE22 GLN B 420 -5.569 6.878 -8.218 1.00 0.00 H new ATOM 85 N GLN B 421 -11.930 8.873 -5.324 1.00 0.00 N ATOM 86 CA GLN B 421 -13.219 8.717 -4.658 1.00 0.00 C ATOM 87 C GLN B 421 -13.052 8.325 -3.186 1.00 0.00 C ATOM 88 O GLN B 421 -13.518 7.269 -2.759 1.00 0.00 O ATOM 89 CB GLN B 421 -14.087 7.713 -5.419 1.00 0.00 C ATOM 90 CG GLN B 421 -14.377 8.221 -6.835 1.00 0.00 C ATOM 91 CD GLN B 421 -15.246 7.241 -7.621 1.00 0.00 C ATOM 92 OE1 GLN B 421 -15.692 6.228 -7.091 1.00 0.00 O ATOM 93 NE2 GLN B 421 -15.488 7.541 -8.896 1.00 0.00 N ATOM 0 H GLN B 421 -11.852 9.733 -5.867 1.00 0.00 H new ATOM 0 HA GLN B 421 -13.728 9.681 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN B 421 -13.580 6.749 -5.469 1.00 0.00 H new ATOM 0 HB3 GLN B 421 -15.023 7.554 -4.884 1.00 0.00 H new ATOM 0 HG2 GLN B 421 -14.878 9.187 -6.779 1.00 0.00 H new ATOM 0 HG3 GLN B 421 -13.437 8.379 -7.364 1.00 0.00 H new ATOM 0 HE21 GLN B 421 -15.100 8.392 -9.302 1.00 0.00 H new ATOM 0 HE22 GLN B 421 -16.061 6.919 -9.466 1.00 0.00 H new ATOM 102 N ARG B 422 -12.377 9.182 -2.411 1.00 0.00 N ATOM 103 CA ARG B 422 -12.086 8.914 -1.008 1.00 0.00 C ATOM 104 C ARG B 422 -13.307 9.215 -0.141 1.00 0.00 C ATOM 105 O ARG B 422 -14.215 9.935 -0.557 1.00 0.00 O ATOM 106 CB ARG B 422 -10.890 9.754 -0.551 1.00 0.00 C ATOM 107 CG ARG B 422 -9.617 9.347 -1.294 1.00 0.00 C ATOM 108 CD ARG B 422 -8.437 10.167 -0.770 1.00 0.00 C ATOM 109 NE ARG B 422 -7.227 9.929 -1.572 1.00 0.00 N ATOM 110 CZ ARG B 422 -5.992 9.861 -1.061 1.00 0.00 C ATOM 111 NH1 ARG B 422 -5.782 10.046 0.242 1.00 0.00 N ATOM 112 NH2 ARG B 422 -4.962 9.605 -1.856 1.00 0.00 N ATOM 0 H ARG B 422 -12.020 10.078 -2.743 1.00 0.00 H new ATOM 0 HA ARG B 422 -11.838 7.858 -0.898 1.00 0.00 H new ATOM 0 HB2 ARG B 422 -11.095 10.810 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG B 422 -10.744 9.631 0.522 1.00 0.00 H new ATOM 0 HG2 ARG B 422 -9.425 8.283 -1.153 1.00 0.00 H new ATOM 0 HG3 ARG B 422 -9.740 9.510 -2.365 1.00 0.00 H new ATOM 0 HD2 ARG B 422 -8.689 11.227 -0.793 1.00 0.00 H new ATOM 0 HD3 ARG B 422 -8.244 9.907 0.271 1.00 0.00 H new ATOM 0 HE ARG B 422 -7.336 9.808 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG B 422 -6.568 10.242 0.862 1.00 0.00 H new ATOM 0 HH12 ARG B 422 -4.836 9.992 0.619 1.00 0.00 H new ATOM 0 HH21 ARG B 422 -5.112 9.460 -2.855 1.00 0.00 H new ATOM 0 HH22 ARG B 422 -4.020 9.553 -1.469 1.00 0.00 H new ATOM 126 N ALA B 423 -13.325 8.661 1.076 1.00 0.00 N ATOM 127 CA ALA B 423 -14.421 8.889 2.001 1.00 0.00 C ATOM 128 C ALA B 423 -14.476 10.369 2.373 1.00 0.00 C ATOM 129 O ALA B 423 -13.489 10.929 2.848 1.00 0.00 O ATOM 130 CB ALA B 423 -14.232 8.019 3.243 1.00 0.00 C ATOM 0 H ALA B 423 -12.589 8.053 1.436 1.00 0.00 H new ATOM 0 HA ALA B 423 -15.366 8.617 1.531 1.00 0.00 H new ATOM 0 HB1 ALA B 423 -15.055 8.191 3.936 1.00 0.00 H new ATOM 0 HB2 ALA B 423 -14.216 6.969 2.952 1.00 0.00 H new ATOM 0 HB3 ALA B 423 -13.290 8.276 3.727 1.00 0.00 H new ATOM 136 N GLY B 424 -15.635 10.992 2.156 1.00 0.00 N ATOM 137 CA GLY B 424 -15.853 12.394 2.478 1.00 0.00 C ATOM 138 C GLY B 424 -15.855 13.251 1.215 1.00 0.00 C ATOM 139 O GLY B 424 -16.194 14.434 1.274 1.00 0.00 O ATOM 0 H GLY B 424 -16.450 10.532 1.750 1.00 0.00 H new ATOM 0 HA2 GLY B 424 -16.803 12.507 3.000 1.00 0.00 H new ATOM 0 HA3 GLY B 424 -15.073 12.741 3.156 1.00 0.00 H new ATOM 143 N ASP B 425 -15.483 12.662 0.072 1.00 0.00 N ATOM 144 CA ASP B 425 -15.559 13.340 -1.212 1.00 0.00 C ATOM 145 C ASP B 425 -16.992 13.709 -1.573 1.00 0.00 C ATOM 146 O ASP B 425 -17.937 13.128 -1.035 1.00 0.00 O ATOM 147 CB ASP B 425 -14.930 12.481 -2.305 1.00 0.00 C ATOM 148 CG ASP B 425 -13.412 12.392 -2.196 1.00 0.00 C ATOM 149 OD1 ASP B 425 -12.856 12.916 -1.204 1.00 0.00 O ATOM 150 OD2 ASP B 425 -12.814 11.796 -3.117 1.00 0.00 O ATOM 0 H ASP B 425 -15.124 11.709 0.019 1.00 0.00 H new ATOM 0 HA ASP B 425 -14.996 14.270 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP B 425 -15.351 11.477 -2.257 1.00 0.00 H new ATOM 0 HB3 ASP B 425 -15.195 12.892 -3.279 1.00 0.00 H new ATOM 155 N TRP B 426 -17.160 14.673 -2.484 1.00 0.00 N ATOM 156 CA TRP B 426 -18.488 15.130 -2.859 1.00 0.00 C ATOM 157 C TRP B 426 -18.493 15.691 -4.277 1.00 0.00 C ATOM 158 O TRP B 426 -17.525 16.317 -4.705 1.00 0.00 O ATOM 159 CB TRP B 426 -18.950 16.172 -1.841 1.00 0.00 C ATOM 160 CG TRP B 426 -18.094 17.399 -1.746 1.00 0.00 C ATOM 161 CD1 TRP B 426 -16.974 17.527 -1.003 1.00 0.00 C ATOM 162 CD2 TRP B 426 -18.235 18.669 -2.455 1.00 0.00 C ATOM 163 NE1 TRP B 426 -16.429 18.778 -1.182 1.00 0.00 N ATOM 164 CE2 TRP B 426 -17.162 19.527 -2.076 1.00 0.00 C ATOM 165 CE3 TRP B 426 -19.182 19.196 -3.353 1.00 0.00 C ATOM 166 CZ2 TRP B 426 -17.037 20.829 -2.566 1.00 0.00 C ATOM 167 CZ3 TRP B 426 -19.060 20.503 -3.858 1.00 0.00 C ATOM 168 CH2 TRP B 426 -17.997 21.319 -3.461 1.00 0.00 C ATOM 0 H TRP B 426 -16.396 15.144 -2.968 1.00 0.00 H new ATOM 0 HA TRP B 426 -19.183 14.290 -2.852 1.00 0.00 H new ATOM 0 HB2 TRP B 426 -19.966 16.476 -2.093 1.00 0.00 H new ATOM 0 HB3 TRP B 426 -18.993 15.702 -0.859 1.00 0.00 H new ATOM 0 HD1 TRP B 426 -16.565 16.760 -0.362 1.00 0.00 H new ATOM 0 HE1 TRP B 426 -15.587 19.109 -0.711 1.00 0.00 H new ATOM 0 HE3 TRP B 426 -20.018 18.585 -3.660 1.00 0.00 H new ATOM 0 HZ2 TRP B 426 -16.209 21.451 -2.258 1.00 0.00 H new ATOM 0 HZ3 TRP B 426 -19.793 20.879 -4.557 1.00 0.00 H new ATOM 0 HH2 TRP B 426 -17.916 22.326 -3.844 1.00 0.00 H new ATOM 179 N LYS B 427 -19.588 15.461 -5.011 1.00 0.00 N ATOM 180 CA LYS B 427 -19.709 15.921 -6.384 1.00 0.00 C ATOM 181 C LYS B 427 -20.334 17.314 -6.417 1.00 0.00 C ATOM 182 O LYS B 427 -21.151 17.646 -5.561 1.00 0.00 O ATOM 183 CB LYS B 427 -20.560 14.933 -7.185 1.00 0.00 C ATOM 184 CG LYS B 427 -20.300 15.112 -8.681 1.00 0.00 C ATOM 185 CD LYS B 427 -21.375 14.407 -9.507 1.00 0.00 C ATOM 186 CE LYS B 427 -22.705 15.153 -9.385 1.00 0.00 C ATOM 187 NZ LYS B 427 -23.755 14.496 -10.189 1.00 0.00 N ATOM 0 H LYS B 427 -20.404 14.955 -4.667 1.00 0.00 H new ATOM 0 HA LYS B 427 -18.718 15.977 -6.833 1.00 0.00 H new ATOM 0 HB2 LYS B 427 -20.324 13.912 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS B 427 -21.617 15.092 -6.969 1.00 0.00 H new ATOM 0 HG2 LYS B 427 -20.284 16.174 -8.927 1.00 0.00 H new ATOM 0 HG3 LYS B 427 -19.319 14.711 -8.935 1.00 0.00 H new ATOM 0 HD2 LYS B 427 -21.070 14.361 -10.552 1.00 0.00 H new ATOM 0 HD3 LYS B 427 -21.493 13.379 -9.164 1.00 0.00 H new ATOM 0 HE2 LYS B 427 -23.011 15.189 -8.340 1.00 0.00 H new ATOM 0 HE3 LYS B 427 -22.580 16.184 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS B 427 -24.647 15.021 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS B 427 -23.470 14.484 -11.189 1.00 0.00 H new ATOM 0 HZ3 LYS B 427 -23.888 13.520 -9.855 1.00 0.00 H new ATOM 201 N CYS B 428 -19.952 18.124 -7.407 1.00 0.00 N ATOM 202 CA CYS B 428 -20.480 19.468 -7.563 1.00 0.00 C ATOM 203 C CYS B 428 -21.988 19.408 -7.832 1.00 0.00 C ATOM 204 O CYS B 428 -22.426 18.663 -8.712 1.00 0.00 O ATOM 205 CB CYS B 428 -19.739 20.153 -8.714 1.00 0.00 C ATOM 206 SG CYS B 428 -20.254 21.879 -8.796 1.00 0.00 S ATOM 0 H CYS B 428 -19.269 17.861 -8.118 1.00 0.00 H new ATOM 0 HA CYS B 428 -20.328 20.044 -6.650 1.00 0.00 H new ATOM 0 HB2 CYS B 428 -18.662 20.088 -8.560 1.00 0.00 H new ATOM 0 HB3 CYS B 428 -19.958 19.649 -9.656 1.00 0.00 H new ATOM 211 N PRO B 429 -22.787 20.184 -7.082 1.00 0.00 N ATOM 212 CA PRO B 429 -24.236 20.206 -7.213 1.00 0.00 C ATOM 213 C PRO B 429 -24.670 20.934 -8.486 1.00 0.00 C ATOM 214 O PRO B 429 -25.827 20.821 -8.890 1.00 0.00 O ATOM 215 CB PRO B 429 -24.736 20.945 -5.971 1.00 0.00 C ATOM 216 CG PRO B 429 -23.577 21.872 -5.608 1.00 0.00 C ATOM 217 CD PRO B 429 -22.338 21.087 -6.041 1.00 0.00 C ATOM 0 HA PRO B 429 -24.647 19.199 -7.287 1.00 0.00 H new ATOM 0 HB2 PRO B 429 -25.647 21.506 -6.179 1.00 0.00 H new ATOM 0 HB3 PRO B 429 -24.965 20.254 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO B 429 -23.649 22.827 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO B 429 -23.559 22.092 -4.541 1.00 0.00 H new ATOM 0 HD2 PRO B 429 -21.561 21.756 -6.412 1.00 0.00 H new ATOM 0 HD3 PRO B 429 -21.911 20.536 -5.203 1.00 0.00 H new ATOM 225 N ASN B 430 -23.759 21.680 -9.121 1.00 0.00 N ATOM 226 CA ASN B 430 -24.078 22.419 -10.332 1.00 0.00 C ATOM 227 C ASN B 430 -24.266 21.419 -11.477 1.00 0.00 C ATOM 228 O ASN B 430 -23.366 20.618 -11.739 1.00 0.00 O ATOM 229 CB ASN B 430 -22.918 23.372 -10.640 1.00 0.00 C ATOM 230 CG ASN B 430 -23.373 24.728 -11.159 1.00 0.00 C ATOM 231 OD1 ASN B 430 -24.545 24.934 -11.461 1.00 0.00 O ATOM 232 ND2 ASN B 430 -22.435 25.664 -11.266 1.00 0.00 N ATOM 0 H ASN B 430 -22.793 21.783 -8.809 1.00 0.00 H new ATOM 0 HA ASN B 430 -24.994 22.997 -10.208 1.00 0.00 H new ATOM 0 HB2 ASN B 430 -22.326 23.517 -9.736 1.00 0.00 H new ATOM 0 HB3 ASN B 430 -22.263 22.909 -11.379 1.00 0.00 H new ATOM 0 HD21 ASN B 430 -22.678 26.593 -11.609 1.00 0.00 H new ATOM 0 HD22 ASN B 430 -21.472 25.453 -11.005 1.00 0.00 H new ATOM 239 N PRO B 431 -25.416 21.445 -12.171 1.00 0.00 N ATOM 240 CA PRO B 431 -25.673 20.564 -13.298 1.00 0.00 C ATOM 241 C PRO B 431 -24.766 20.916 -14.478 1.00 0.00 C ATOM 242 O PRO B 431 -24.589 20.102 -15.383 1.00 0.00 O ATOM 243 CB PRO B 431 -27.146 20.772 -13.654 1.00 0.00 C ATOM 244 CG PRO B 431 -27.463 22.169 -13.124 1.00 0.00 C ATOM 245 CD PRO B 431 -26.541 22.320 -11.916 1.00 0.00 C ATOM 0 HA PRO B 431 -25.466 19.522 -13.053 1.00 0.00 H new ATOM 0 HB2 PRO B 431 -27.309 20.707 -14.730 1.00 0.00 H new ATOM 0 HB3 PRO B 431 -27.779 20.016 -13.189 1.00 0.00 H new ATOM 0 HG2 PRO B 431 -27.267 22.935 -13.874 1.00 0.00 H new ATOM 0 HG3 PRO B 431 -28.512 22.261 -12.841 1.00 0.00 H new ATOM 0 HD2 PRO B 431 -26.215 23.353 -11.799 1.00 0.00 H new ATOM 0 HD3 PRO B 431 -27.053 22.041 -10.995 1.00 0.00 H new ATOM 253 N THR B 432 -24.193 22.122 -14.467 1.00 0.00 N ATOM 254 CA THR B 432 -23.244 22.564 -15.481 1.00 0.00 C ATOM 255 C THR B 432 -21.793 22.241 -15.125 1.00 0.00 C ATOM 256 O THR B 432 -20.883 22.559 -15.892 1.00 0.00 O ATOM 257 CB THR B 432 -23.436 24.051 -15.807 1.00 0.00 C ATOM 258 OG1 THR B 432 -22.719 24.834 -14.878 1.00 0.00 O ATOM 259 CG2 THR B 432 -24.914 24.450 -15.755 1.00 0.00 C ATOM 0 H THR B 432 -24.379 22.821 -13.748 1.00 0.00 H new ATOM 0 HA THR B 432 -23.462 21.992 -16.383 1.00 0.00 H new ATOM 0 HB THR B 432 -23.066 24.223 -16.818 1.00 0.00 H new ATOM 0 HG1 THR B 432 -22.841 25.784 -15.088 1.00 0.00 H new ATOM 0 HG21 THR B 432 -25.013 25.510 -15.991 1.00 0.00 H new ATOM 0 HG22 THR B 432 -25.475 23.862 -16.481 1.00 0.00 H new ATOM 0 HG23 THR B 432 -25.307 24.262 -14.756 1.00 0.00 H new ATOM 267 N CYS B 433 -21.582 21.609 -13.965 1.00 0.00 N ATOM 268 CA CYS B 433 -20.253 21.294 -13.464 1.00 0.00 C ATOM 269 C CYS B 433 -20.085 19.781 -13.321 1.00 0.00 C ATOM 270 O CYS B 433 -19.330 19.163 -14.070 1.00 0.00 O ATOM 271 CB CYS B 433 -20.059 21.994 -12.123 1.00 0.00 C ATOM 272 SG CYS B 433 -18.374 21.718 -11.537 1.00 0.00 S ATOM 0 H CYS B 433 -22.336 21.303 -13.350 1.00 0.00 H new ATOM 0 HA CYS B 433 -19.497 21.645 -14.166 1.00 0.00 H new ATOM 0 HB2 CYS B 433 -20.248 23.062 -12.228 1.00 0.00 H new ATOM 0 HB3 CYS B 433 -20.775 21.613 -11.395 1.00 0.00 H new ATOM 277 N GLU B 434 -20.798 19.197 -12.353 1.00 0.00 N ATOM 278 CA GLU B 434 -20.743 17.772 -12.045 1.00 0.00 C ATOM 279 C GLU B 434 -19.309 17.281 -11.787 1.00 0.00 C ATOM 280 O GLU B 434 -19.056 16.076 -11.804 1.00 0.00 O ATOM 281 CB GLU B 434 -21.437 16.956 -13.142 1.00 0.00 C ATOM 282 CG GLU B 434 -22.923 17.319 -13.198 1.00 0.00 C ATOM 283 CD GLU B 434 -23.678 16.471 -14.222 1.00 0.00 C ATOM 284 OE1 GLU B 434 -24.926 16.560 -14.228 1.00 0.00 O ATOM 285 OE2 GLU B 434 -23.005 15.742 -14.988 1.00 0.00 O ATOM 0 H GLU B 434 -21.440 19.714 -11.753 1.00 0.00 H new ATOM 0 HA GLU B 434 -21.286 17.618 -11.113 1.00 0.00 H new ATOM 0 HB2 GLU B 434 -20.969 17.154 -14.106 1.00 0.00 H new ATOM 0 HB3 GLU B 434 -21.321 15.890 -12.944 1.00 0.00 H new ATOM 0 HG2 GLU B 434 -23.368 17.180 -12.213 1.00 0.00 H new ATOM 0 HG3 GLU B 434 -23.030 18.374 -13.450 1.00 0.00 H new ATOM 292 N ASN B 435 -18.370 18.203 -11.545 1.00 0.00 N ATOM 293 CA ASN B 435 -17.001 17.837 -11.233 1.00 0.00 C ATOM 294 C ASN B 435 -16.939 17.180 -9.855 1.00 0.00 C ATOM 295 O ASN B 435 -17.694 17.546 -8.957 1.00 0.00 O ATOM 296 CB ASN B 435 -16.127 19.093 -11.256 1.00 0.00 C ATOM 297 CG ASN B 435 -14.662 18.759 -11.036 1.00 0.00 C ATOM 298 OD1 ASN B 435 -14.076 17.986 -11.795 1.00 0.00 O ATOM 299 ND2 ASN B 435 -14.058 19.337 -10.004 1.00 0.00 N ATOM 0 H ASN B 435 -18.543 19.208 -11.562 1.00 0.00 H new ATOM 0 HA ASN B 435 -16.635 17.127 -11.975 1.00 0.00 H new ATOM 0 HB2 ASN B 435 -16.245 19.602 -12.213 1.00 0.00 H new ATOM 0 HB3 ASN B 435 -16.463 19.785 -10.484 1.00 0.00 H new ATOM 0 HD21 ASN B 435 -13.074 19.146 -9.817 1.00 0.00 H new ATOM 0 HD22 ASN B 435 -14.579 19.972 -9.398 1.00 0.00 H new ATOM 306 N MET B 436 -16.042 16.210 -9.679 1.00 0.00 N ATOM 307 CA MET B 436 -15.860 15.581 -8.384 1.00 0.00 C ATOM 308 C MET B 436 -14.887 16.419 -7.560 1.00 0.00 C ATOM 309 O MET B 436 -13.831 16.810 -8.062 1.00 0.00 O ATOM 310 CB MET B 436 -15.341 14.155 -8.566 1.00 0.00 C ATOM 311 CG MET B 436 -15.622 13.350 -7.303 1.00 0.00 C ATOM 312 SD MET B 436 -17.381 12.983 -7.087 1.00 0.00 S ATOM 313 CE MET B 436 -17.384 12.643 -5.312 1.00 0.00 C ATOM 0 H MET B 436 -15.436 15.849 -10.416 1.00 0.00 H new ATOM 0 HA MET B 436 -16.812 15.525 -7.857 1.00 0.00 H new ATOM 0 HB2 MET B 436 -15.824 13.687 -9.424 1.00 0.00 H new ATOM 0 HB3 MET B 436 -14.271 14.169 -8.771 1.00 0.00 H new ATOM 0 HG2 MET B 436 -15.062 12.416 -7.340 1.00 0.00 H new ATOM 0 HG3 MET B 436 -15.261 13.904 -6.436 1.00 0.00 H new ATOM 0 HE1 MET B 436 -18.410 12.640 -4.944 1.00 0.00 H new ATOM 0 HE2 MET B 436 -16.929 11.670 -5.127 1.00 0.00 H new ATOM 0 HE3 MET B 436 -16.815 13.414 -4.793 1.00 0.00 H new ATOM 323 N ASN B 437 -15.229 16.697 -6.302 1.00 0.00 N ATOM 324 CA ASN B 437 -14.412 17.538 -5.445 1.00 0.00 C ATOM 325 C ASN B 437 -13.906 16.749 -4.242 1.00 0.00 C ATOM 326 O ASN B 437 -14.598 15.873 -3.719 1.00 0.00 O ATOM 327 CB ASN B 437 -15.217 18.767 -5.020 1.00 0.00 C ATOM 328 CG ASN B 437 -15.700 19.549 -6.228 1.00 0.00 C ATOM 329 OD1 ASN B 437 -14.897 20.059 -7.006 1.00 0.00 O ATOM 330 ND2 ASN B 437 -17.013 19.649 -6.394 1.00 0.00 N ATOM 0 H ASN B 437 -16.076 16.345 -5.856 1.00 0.00 H new ATOM 0 HA ASN B 437 -13.535 17.877 -5.997 1.00 0.00 H new ATOM 0 HB2 ASN B 437 -16.071 18.456 -4.419 1.00 0.00 H new ATOM 0 HB3 ASN B 437 -14.601 19.409 -4.390 1.00 0.00 H new ATOM 0 HD21 ASN B 437 -17.389 20.164 -7.190 1.00 0.00 H new ATOM 0 HD22 ASN B 437 -17.646 19.211 -5.725 1.00 0.00 H new ATOM 337 N PHE B 438 -12.686 17.073 -3.810 1.00 0.00 N ATOM 338 CA PHE B 438 -12.040 16.410 -2.693 1.00 0.00 C ATOM 339 C PHE B 438 -12.714 16.702 -1.355 1.00 0.00 C ATOM 340 O PHE B 438 -13.381 17.725 -1.198 1.00 0.00 O ATOM 341 CB PHE B 438 -10.543 16.741 -2.679 1.00 0.00 C ATOM 342 CG PHE B 438 -9.728 16.142 -3.815 1.00 0.00 C ATOM 343 CD1 PHE B 438 -10.223 15.077 -4.589 1.00 0.00 C ATOM 344 CD2 PHE B 438 -8.458 16.665 -4.098 1.00 0.00 C ATOM 345 CE1 PHE B 438 -9.441 14.531 -5.618 1.00 0.00 C ATOM 346 CE2 PHE B 438 -7.672 16.114 -5.119 1.00 0.00 C ATOM 347 CZ PHE B 438 -8.162 15.045 -5.879 1.00 0.00 C ATOM 0 H PHE B 438 -12.121 17.809 -4.233 1.00 0.00 H new ATOM 0 HA PHE B 438 -12.151 15.335 -2.837 1.00 0.00 H new ATOM 0 HB2 PHE B 438 -10.428 17.825 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE B 438 -10.122 16.399 -1.734 1.00 0.00 H new ATOM 0 HD1 PHE B 438 -11.207 14.679 -4.391 1.00 0.00 H new ATOM 0 HD2 PHE B 438 -8.083 17.499 -3.524 1.00 0.00 H new ATOM 0 HE1 PHE B 438 -9.824 13.713 -6.210 1.00 0.00 H new ATOM 0 HE2 PHE B 438 -6.689 16.514 -5.320 1.00 0.00 H new ATOM 0 HZ PHE B 438 -7.557 14.617 -6.664 1.00 0.00 H new ATOM 357 N SER B 439 -12.540 15.800 -0.387 1.00 0.00 N ATOM 358 CA SER B 439 -13.228 15.866 0.894 1.00 0.00 C ATOM 359 C SER B 439 -12.876 17.129 1.681 1.00 0.00 C ATOM 360 O SER B 439 -13.677 17.585 2.495 1.00 0.00 O ATOM 361 CB SER B 439 -12.862 14.634 1.725 1.00 0.00 C ATOM 362 OG SER B 439 -11.478 14.619 1.988 1.00 0.00 O ATOM 0 H SER B 439 -11.913 15.000 -0.475 1.00 0.00 H new ATOM 0 HA SER B 439 -14.299 15.894 0.692 1.00 0.00 H new ATOM 0 HB2 SER B 439 -13.418 14.640 2.663 1.00 0.00 H new ATOM 0 HB3 SER B 439 -13.148 13.728 1.191 1.00 0.00 H new ATOM 0 HG SER B 439 -10.987 14.481 1.151 1.00 0.00 H new ATOM 368 N TRP B 440 -11.691 17.697 1.449 1.00 0.00 N ATOM 369 CA TRP B 440 -11.236 18.856 2.202 1.00 0.00 C ATOM 370 C TRP B 440 -11.707 20.175 1.592 1.00 0.00 C ATOM 371 O TRP B 440 -11.534 21.230 2.202 1.00 0.00 O ATOM 372 CB TRP B 440 -9.716 18.809 2.342 1.00 0.00 C ATOM 373 CG TRP B 440 -8.952 18.590 1.076 1.00 0.00 C ATOM 374 CD1 TRP B 440 -8.527 17.398 0.605 1.00 0.00 C ATOM 375 CD2 TRP B 440 -8.559 19.570 0.069 1.00 0.00 C ATOM 376 NE1 TRP B 440 -7.869 17.575 -0.590 1.00 0.00 N ATOM 377 CE2 TRP B 440 -7.847 18.903 -0.966 1.00 0.00 C ATOM 378 CE3 TRP B 440 -8.722 20.961 -0.064 1.00 0.00 C ATOM 379 CZ2 TRP B 440 -7.309 19.585 -2.064 1.00 0.00 C ATOM 380 CZ3 TRP B 440 -8.193 21.653 -1.163 1.00 0.00 C ATOM 381 CH2 TRP B 440 -7.478 20.972 -2.158 1.00 0.00 C ATOM 0 H TRP B 440 -11.032 17.369 0.743 1.00 0.00 H new ATOM 0 HA TRP B 440 -11.686 18.813 3.194 1.00 0.00 H new ATOM 0 HB2 TRP B 440 -9.382 19.746 2.788 1.00 0.00 H new ATOM 0 HB3 TRP B 440 -9.459 18.013 3.041 1.00 0.00 H new ATOM 0 HD1 TRP B 440 -8.681 16.447 1.094 1.00 0.00 H new ATOM 0 HE1 TRP B 440 -7.449 16.819 -1.131 1.00 0.00 H new ATOM 0 HE3 TRP B 440 -9.265 21.506 0.694 1.00 0.00 H new ATOM 0 HZ2 TRP B 440 -6.770 19.047 -2.830 1.00 0.00 H new ATOM 0 HZ3 TRP B 440 -8.338 22.720 -1.244 1.00 0.00 H new ATOM 0 HH2 TRP B 440 -7.060 21.514 -2.993 1.00 0.00 H new ATOM 392 N ARG B 441 -12.300 20.130 0.392 1.00 0.00 N ATOM 393 CA ARG B 441 -12.851 21.326 -0.233 1.00 0.00 C ATOM 394 C ARG B 441 -14.232 21.638 0.335 1.00 0.00 C ATOM 395 O ARG B 441 -14.948 20.733 0.761 1.00 0.00 O ATOM 396 CB ARG B 441 -12.943 21.145 -1.749 1.00 0.00 C ATOM 397 CG ARG B 441 -11.551 21.149 -2.377 1.00 0.00 C ATOM 398 CD ARG B 441 -11.682 21.140 -3.901 1.00 0.00 C ATOM 399 NE ARG B 441 -10.366 21.130 -4.550 1.00 0.00 N ATOM 400 CZ ARG B 441 -9.590 22.204 -4.702 1.00 0.00 C ATOM 401 NH1 ARG B 441 -9.996 23.400 -4.281 1.00 0.00 N ATOM 402 NH2 ARG B 441 -8.398 22.084 -5.278 1.00 0.00 N ATOM 0 H ARG B 441 -12.407 19.278 -0.159 1.00 0.00 H new ATOM 0 HA ARG B 441 -12.184 22.160 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG B 441 -13.449 20.207 -1.979 1.00 0.00 H new ATOM 0 HB3 ARG B 441 -13.545 21.945 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG B 441 -10.997 22.030 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG B 441 -10.987 20.278 -2.044 1.00 0.00 H new ATOM 0 HD2 ARG B 441 -12.251 20.264 -4.214 1.00 0.00 H new ATOM 0 HD3 ARG B 441 -12.243 22.017 -4.225 1.00 0.00 H new ATOM 0 HE ARG B 441 -10.021 20.240 -4.910 1.00 0.00 H new ATOM 0 HH11 ARG B 441 -10.909 23.502 -3.837 1.00 0.00 H new ATOM 0 HH12 ARG B 441 -9.394 24.215 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG B 441 -8.078 21.172 -5.603 1.00 0.00 H new ATOM 0 HH22 ARG B 441 -7.803 22.904 -5.395 1.00 0.00 H new ATOM 416 N ASN B 442 -14.600 22.919 0.333 1.00 0.00 N ATOM 417 CA ASN B 442 -15.930 23.357 0.729 1.00 0.00 C ATOM 418 C ASN B 442 -16.657 24.001 -0.453 1.00 0.00 C ATOM 419 O ASN B 442 -17.831 24.351 -0.344 1.00 0.00 O ATOM 420 CB ASN B 442 -15.822 24.330 1.907 1.00 0.00 C ATOM 421 CG ASN B 442 -15.273 23.648 3.153 1.00 0.00 C ATOM 422 OD1 ASN B 442 -15.489 22.459 3.364 1.00 0.00 O ATOM 423 ND2 ASN B 442 -14.563 24.400 3.988 1.00 0.00 N ATOM 0 H ASN B 442 -13.980 23.680 0.056 1.00 0.00 H new ATOM 0 HA ASN B 442 -16.513 22.492 1.045 1.00 0.00 H new ATOM 0 HB2 ASN B 442 -15.174 25.163 1.633 1.00 0.00 H new ATOM 0 HB3 ASN B 442 -16.805 24.749 2.124 1.00 0.00 H new ATOM 0 HD21 ASN B 442 -14.176 23.992 4.839 1.00 0.00 H new ATOM 0 HD22 ASN B 442 -14.405 25.385 3.778 1.00 0.00 H new ATOM 430 N GLU B 443 -15.954 24.151 -1.581 1.00 0.00 N ATOM 431 CA GLU B 443 -16.511 24.719 -2.798 1.00 0.00 C ATOM 432 C GLU B 443 -15.970 23.968 -4.012 1.00 0.00 C ATOM 433 O GLU B 443 -14.934 23.307 -3.931 1.00 0.00 O ATOM 434 CB GLU B 443 -16.167 26.205 -2.903 1.00 0.00 C ATOM 435 CG GLU B 443 -16.687 26.980 -1.686 1.00 0.00 C ATOM 436 CD GLU B 443 -16.438 28.481 -1.814 1.00 0.00 C ATOM 437 OE1 GLU B 443 -15.736 28.880 -2.773 1.00 0.00 O ATOM 438 OE2 GLU B 443 -16.956 29.221 -0.949 1.00 0.00 O ATOM 0 H GLU B 443 -14.975 23.877 -1.668 1.00 0.00 H new ATOM 0 HA GLU B 443 -17.596 24.618 -2.768 1.00 0.00 H new ATOM 0 HB2 GLU B 443 -15.087 26.327 -2.981 1.00 0.00 H new ATOM 0 HB3 GLU B 443 -16.601 26.618 -3.814 1.00 0.00 H new ATOM 0 HG2 GLU B 443 -17.756 26.798 -1.570 1.00 0.00 H new ATOM 0 HG3 GLU B 443 -16.201 26.608 -0.784 1.00 0.00 H new ATOM 445 N CYS B 444 -16.681 24.071 -5.134 1.00 0.00 N ATOM 446 CA CYS B 444 -16.331 23.371 -6.355 1.00 0.00 C ATOM 447 C CYS B 444 -14.985 23.858 -6.879 1.00 0.00 C ATOM 448 O CYS B 444 -14.619 25.019 -6.692 1.00 0.00 O ATOM 449 CB CYS B 444 -17.436 23.585 -7.386 1.00 0.00 C ATOM 450 SG CYS B 444 -17.047 22.644 -8.882 1.00 0.00 S ATOM 0 H CYS B 444 -17.519 24.647 -5.215 1.00 0.00 H new ATOM 0 HA CYS B 444 -16.238 22.304 -6.154 1.00 0.00 H new ATOM 0 HB2 CYS B 444 -18.395 23.264 -6.980 1.00 0.00 H new ATOM 0 HB3 CYS B 444 -17.528 24.645 -7.623 1.00 0.00 H new ATOM 455 N ASN B 445 -14.256 22.961 -7.539 1.00 0.00 N ATOM 456 CA ASN B 445 -12.924 23.245 -8.038 1.00 0.00 C ATOM 457 C ASN B 445 -13.004 23.817 -9.455 1.00 0.00 C ATOM 458 O ASN B 445 -11.974 24.055 -10.083 1.00 0.00 O ATOM 459 CB ASN B 445 -12.125 21.941 -8.021 1.00 0.00 C ATOM 460 CG ASN B 445 -10.626 22.184 -7.939 1.00 0.00 C ATOM 461 OD1 ASN B 445 -10.178 23.298 -7.681 1.00 0.00 O ATOM 462 ND2 ASN B 445 -9.845 21.135 -8.158 1.00 0.00 N ATOM 0 H ASN B 445 -14.579 22.015 -7.741 1.00 0.00 H new ATOM 0 HA ASN B 445 -12.431 23.987 -7.410 1.00 0.00 H new ATOM 0 HB2 ASN B 445 -12.440 21.336 -7.171 1.00 0.00 H new ATOM 0 HB3 ASN B 445 -12.349 21.368 -8.921 1.00 0.00 H new ATOM 0 HD21 ASN B 445 -8.831 21.236 -8.115 1.00 0.00 H new ATOM 0 HD22 ASN B 445 -10.258 20.227 -8.369 1.00 0.00 H new ATOM 469 N GLN B 446 -14.225 24.033 -9.963 1.00 0.00 N ATOM 470 CA GLN B 446 -14.426 24.412 -11.356 1.00 0.00 C ATOM 471 C GLN B 446 -15.465 25.525 -11.503 1.00 0.00 C ATOM 472 O GLN B 446 -15.356 26.356 -12.404 1.00 0.00 O ATOM 473 CB GLN B 446 -14.885 23.179 -12.133 1.00 0.00 C ATOM 474 CG GLN B 446 -13.863 22.042 -12.032 1.00 0.00 C ATOM 475 CD GLN B 446 -12.574 22.355 -12.787 1.00 0.00 C ATOM 476 OE1 GLN B 446 -12.534 23.252 -13.623 1.00 0.00 O ATOM 477 NE2 GLN B 446 -11.512 21.612 -12.496 1.00 0.00 N ATOM 0 H GLN B 446 -15.086 23.950 -9.423 1.00 0.00 H new ATOM 0 HA GLN B 446 -13.483 24.792 -11.749 1.00 0.00 H new ATOM 0 HB2 GLN B 446 -15.847 22.841 -11.747 1.00 0.00 H new ATOM 0 HB3 GLN B 446 -15.036 23.442 -13.180 1.00 0.00 H new ATOM 0 HG2 GLN B 446 -13.631 21.856 -10.983 1.00 0.00 H new ATOM 0 HG3 GLN B 446 -14.301 21.126 -12.429 1.00 0.00 H new ATOM 0 HE21 GLN B 446 -11.582 20.874 -11.795 1.00 0.00 H new ATOM 0 HE22 GLN B 446 -10.626 21.779 -12.974 1.00 0.00 H new ATOM 486 N CYS B 447 -16.467 25.545 -10.620 1.00 0.00 N ATOM 487 CA CYS B 447 -17.521 26.551 -10.666 1.00 0.00 C ATOM 488 C CYS B 447 -17.734 27.213 -9.299 1.00 0.00 C ATOM 489 O CYS B 447 -18.629 28.043 -9.153 1.00 0.00 O ATOM 490 CB CYS B 447 -18.807 25.911 -11.189 1.00 0.00 C ATOM 491 SG CYS B 447 -19.306 24.578 -10.075 1.00 0.00 S ATOM 0 H CYS B 447 -16.567 24.870 -9.862 1.00 0.00 H new ATOM 0 HA CYS B 447 -17.219 27.346 -11.348 1.00 0.00 H new ATOM 0 HB2 CYS B 447 -19.597 26.659 -11.257 1.00 0.00 H new ATOM 0 HB3 CYS B 447 -18.650 25.521 -12.194 1.00 0.00 H new ATOM 496 N LYS B 448 -16.911 26.844 -8.309 1.00 0.00 N ATOM 497 CA LYS B 448 -16.929 27.433 -6.972 1.00 0.00 C ATOM 498 C LYS B 448 -18.294 27.308 -6.282 1.00 0.00 C ATOM 499 O LYS B 448 -18.561 28.028 -5.321 1.00 0.00 O ATOM 500 CB LYS B 448 -16.440 28.885 -7.022 1.00 0.00 C ATOM 501 CG LYS B 448 -15.016 28.952 -7.579 1.00 0.00 C ATOM 502 CD LYS B 448 -14.533 30.402 -7.568 1.00 0.00 C ATOM 503 CE LYS B 448 -13.111 30.474 -8.126 1.00 0.00 C ATOM 504 NZ LYS B 448 -12.617 31.865 -8.136 1.00 0.00 N ATOM 0 H LYS B 448 -16.205 26.117 -8.420 1.00 0.00 H new ATOM 0 HA LYS B 448 -16.237 26.860 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS B 448 -17.109 29.479 -7.645 1.00 0.00 H new ATOM 0 HB3 LYS B 448 -16.467 29.319 -6.022 1.00 0.00 H new ATOM 0 HG2 LYS B 448 -14.350 28.331 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS B 448 -14.992 28.557 -8.595 1.00 0.00 H new ATOM 0 HD2 LYS B 448 -15.201 31.023 -8.166 1.00 0.00 H new ATOM 0 HD3 LYS B 448 -14.556 30.796 -6.552 1.00 0.00 H new ATOM 0 HE2 LYS B 448 -12.448 29.853 -7.523 1.00 0.00 H new ATOM 0 HE3 LYS B 448 -13.093 30.070 -9.138 1.00 0.00 H new ATOM 0 HZ1 LYS B 448 -11.650 31.887 -8.519 1.00 0.00 H new ATOM 0 HZ2 LYS B 448 -13.238 32.450 -8.730 1.00 0.00 H new ATOM 0 HZ3 LYS B 448 -12.614 32.239 -7.166 1.00 0.00 H new ATOM 518 N ALA B 449 -19.155 26.405 -6.759 1.00 0.00 N ATOM 519 CA ALA B 449 -20.430 26.145 -6.106 1.00 0.00 C ATOM 520 C ALA B 449 -20.178 25.533 -4.726 1.00 0.00 C ATOM 521 O ALA B 449 -19.280 24.708 -4.578 1.00 0.00 O ATOM 522 CB ALA B 449 -21.265 25.210 -6.982 1.00 0.00 C ATOM 0 H ALA B 449 -18.988 25.845 -7.595 1.00 0.00 H new ATOM 0 HA ALA B 449 -20.982 27.075 -5.972 1.00 0.00 H new ATOM 0 HB1 ALA B 449 -22.221 25.013 -6.496 1.00 0.00 H new ATOM 0 HB2 ALA B 449 -21.440 25.679 -7.950 1.00 0.00 H new ATOM 0 HB3 ALA B 449 -20.730 24.271 -7.125 1.00 0.00 H new ATOM 528 N PRO B 450 -20.960 25.922 -3.713 1.00 0.00 N ATOM 529 CA PRO B 450 -20.770 25.467 -2.349 1.00 0.00 C ATOM 530 C PRO B 450 -21.129 23.991 -2.203 1.00 0.00 C ATOM 531 O PRO B 450 -22.016 23.489 -2.897 1.00 0.00 O ATOM 532 CB PRO B 450 -21.685 26.347 -1.496 1.00 0.00 C ATOM 533 CG PRO B 450 -22.785 26.781 -2.465 1.00 0.00 C ATOM 534 CD PRO B 450 -22.077 26.839 -3.819 1.00 0.00 C ATOM 0 HA PRO B 450 -19.728 25.551 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO B 450 -22.093 25.796 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO B 450 -21.149 27.205 -1.090 1.00 0.00 H new ATOM 0 HG2 PRO B 450 -23.612 26.070 -2.476 1.00 0.00 H new ATOM 0 HG3 PRO B 450 -23.201 27.750 -2.189 1.00 0.00 H new ATOM 0 HD2 PRO B 450 -22.749 26.547 -4.626 1.00 0.00 H new ATOM 0 HD3 PRO B 450 -21.735 27.850 -4.040 1.00 0.00 H new ATOM 542 N LYS B 451 -20.437 23.292 -1.295 1.00 0.00 N ATOM 543 CA LYS B 451 -20.742 21.906 -0.966 1.00 0.00 C ATOM 544 C LYS B 451 -22.093 21.806 -0.243 1.00 0.00 C ATOM 545 O LYS B 451 -22.971 21.075 -0.710 1.00 0.00 O ATOM 546 CB LYS B 451 -19.594 21.312 -0.142 1.00 0.00 C ATOM 547 CG LYS B 451 -19.904 19.893 0.352 1.00 0.00 C ATOM 548 CD LYS B 451 -19.232 19.637 1.703 1.00 0.00 C ATOM 549 CE LYS B 451 -17.752 20.013 1.641 1.00 0.00 C ATOM 550 NZ LYS B 451 -17.081 19.778 2.931 1.00 0.00 N ATOM 0 H LYS B 451 -19.651 23.677 -0.771 1.00 0.00 H new ATOM 0 HA LYS B 451 -20.834 21.322 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS B 451 -18.687 21.294 -0.747 1.00 0.00 H new ATOM 0 HB3 LYS B 451 -19.393 21.956 0.714 1.00 0.00 H new ATOM 0 HG2 LYS B 451 -20.982 19.761 0.445 1.00 0.00 H new ATOM 0 HG3 LYS B 451 -19.555 19.163 -0.378 1.00 0.00 H new ATOM 0 HD2 LYS B 451 -19.729 20.218 2.480 1.00 0.00 H new ATOM 0 HD3 LYS B 451 -19.336 18.587 1.975 1.00 0.00 H new ATOM 0 HE2 LYS B 451 -17.260 19.430 0.862 1.00 0.00 H new ATOM 0 HE3 LYS B 451 -17.653 21.063 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 451 -16.535 20.622 3.197 1.00 0.00 H new ATOM 0 HZ2 LYS B 451 -17.794 19.582 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS B 451 -16.440 18.964 2.845 1.00 0.00 H new ATOM 564 N PRO B 452 -22.289 22.521 0.879 1.00 0.00 N ATOM 565 CA PRO B 452 -23.578 22.612 1.538 1.00 0.00 C ATOM 566 C PRO B 452 -24.567 23.400 0.682 1.00 0.00 C ATOM 567 O PRO B 452 -24.177 24.098 -0.253 1.00 0.00 O ATOM 568 CB PRO B 452 -23.318 23.327 2.866 1.00 0.00 C ATOM 569 CG PRO B 452 -22.057 24.151 2.600 1.00 0.00 C ATOM 570 CD PRO B 452 -21.288 23.290 1.603 1.00 0.00 C ATOM 0 HA PRO B 452 -24.018 21.627 1.695 1.00 0.00 H new ATOM 0 HB2 PRO B 452 -24.158 23.962 3.149 1.00 0.00 H new ATOM 0 HB3 PRO B 452 -23.167 22.617 3.679 1.00 0.00 H new ATOM 0 HG2 PRO B 452 -22.295 25.131 2.187 1.00 0.00 H new ATOM 0 HG3 PRO B 452 -21.485 24.320 3.513 1.00 0.00 H new ATOM 0 HD2 PRO B 452 -20.704 23.909 0.922 1.00 0.00 H new ATOM 0 HD3 PRO B 452 -20.587 22.632 2.116 1.00 0.00 H new ATOM 578 N ASP B 453 -25.856 23.284 1.009 1.00 0.00 N ATOM 579 CA ASP B 453 -26.918 23.978 0.287 1.00 0.00 C ATOM 580 C ASP B 453 -27.004 25.467 0.644 1.00 0.00 C ATOM 581 O ASP B 453 -27.814 26.194 0.065 1.00 0.00 O ATOM 582 CB ASP B 453 -28.260 23.279 0.530 1.00 0.00 C ATOM 583 CG ASP B 453 -28.323 21.893 -0.109 1.00 0.00 C ATOM 584 OD1 ASP B 453 -29.359 21.224 0.097 1.00 0.00 O ATOM 585 OD2 ASP B 453 -27.345 21.517 -0.792 1.00 0.00 O ATOM 0 H ASP B 453 -26.190 22.707 1.781 1.00 0.00 H new ATOM 0 HA ASP B 453 -26.673 23.931 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP B 453 -28.430 23.189 1.603 1.00 0.00 H new ATOM 0 HB3 ASP B 453 -29.065 23.896 0.131 1.00 0.00 H new ATOM 590 N GLY B 454 -26.177 25.918 1.593 1.00 0.00 N ATOM 591 CA GLY B 454 -26.150 27.304 2.037 1.00 0.00 C ATOM 592 C GLY B 454 -25.519 28.204 0.978 1.00 0.00 C ATOM 593 O GLY B 454 -24.308 28.028 0.723 1.00 0.00 O ATOM 0 H GLY B 454 -25.504 25.322 2.075 1.00 0.00 H new ATOM 0 HA2 GLY B 454 -27.164 27.642 2.249 1.00 0.00 H new ATOM 0 HA3 GLY B 454 -25.587 27.381 2.967 1.00 0.00 H new TER 597 GLY B 454 ATOM 598 O5' U A 1 0.502 19.105 0.043 1.00 0.00 O ATOM 599 C5' U A 1 -0.446 18.516 -0.824 1.00 0.00 C ATOM 600 C4' U A 1 -1.623 17.978 -0.009 1.00 0.00 C ATOM 601 O4' U A 1 -2.387 19.064 0.501 1.00 0.00 O ATOM 602 C3' U A 1 -2.561 17.186 -0.913 1.00 0.00 C ATOM 603 O3' U A 1 -3.350 16.313 -0.131 1.00 0.00 O ATOM 604 C2' U A 1 -3.407 18.304 -1.492 1.00 0.00 C ATOM 605 O2' U A 1 -4.658 17.827 -1.945 1.00 0.00 O ATOM 606 C1' U A 1 -3.543 19.261 -0.309 1.00 0.00 C ATOM 607 N1 U A 1 -3.679 20.680 -0.748 1.00 0.00 N ATOM 608 C2 U A 1 -3.413 21.681 0.182 1.00 0.00 C ATOM 609 O2 U A 1 -3.102 21.440 1.346 1.00 0.00 O ATOM 610 N3 U A 1 -3.514 22.986 -0.276 1.00 0.00 N ATOM 611 C4 U A 1 -3.876 23.377 -1.550 1.00 0.00 C ATOM 612 O4 U A 1 -3.927 24.568 -1.846 1.00 0.00 O ATOM 613 C5 U A 1 -4.173 22.279 -2.440 1.00 0.00 C ATOM 614 C6 U A 1 -4.074 20.994 -2.024 1.00 0.00 C ATOM 0 H5' U A 1 0.017 17.708 -1.390 1.00 0.00 H new ATOM 0 H5'' U A 1 -0.798 19.251 -1.548 1.00 0.00 H new ATOM 0 H4' U A 1 -1.223 17.356 0.792 1.00 0.00 H new ATOM 0 H3' U A 1 -2.071 16.562 -1.660 1.00 0.00 H new ATOM 0 H2' U A 1 -2.969 18.776 -2.372 1.00 0.00 H new ATOM 0 HO2' U A 1 -5.339 18.520 -1.814 1.00 0.00 H new ATOM 0 HO5' U A 1 1.256 19.448 -0.481 1.00 0.00 H new ATOM 0 H1' U A 1 -4.453 19.051 0.254 1.00 0.00 H new ATOM 0 H3 U A 1 -3.301 23.727 0.391 1.00 0.00 H new ATOM 0 H5 U A 1 -4.479 22.486 -3.455 1.00 0.00 H new ATOM 0 H6 U A 1 -4.312 20.197 -2.713 1.00 0.00 H new ATOM 625 P G A 2 -2.827 14.844 0.253 1.00 0.00 P ATOM 626 OP1 G A 2 -3.610 14.365 1.414 1.00 0.00 O ATOM 627 OP2 G A 2 -1.346 14.870 0.321 1.00 0.00 O ATOM 628 O5' G A 2 -3.270 13.984 -1.037 1.00 0.00 O ATOM 629 C5' G A 2 -2.341 13.625 -2.036 1.00 0.00 C ATOM 630 C4' G A 2 -3.082 13.203 -3.308 1.00 0.00 C ATOM 631 O4' G A 2 -4.179 12.347 -3.009 1.00 0.00 O ATOM 632 C3' G A 2 -3.634 14.400 -4.074 1.00 0.00 C ATOM 633 O3' G A 2 -2.691 14.916 -4.986 1.00 0.00 O ATOM 634 C2' G A 2 -4.824 13.778 -4.783 1.00 0.00 C ATOM 635 O2' G A 2 -4.424 13.066 -5.940 1.00 0.00 O ATOM 636 C1' G A 2 -5.319 12.774 -3.749 1.00 0.00 C ATOM 637 N9 G A 2 -6.303 13.410 -2.851 1.00 0.00 N ATOM 638 C8 G A 2 -6.121 14.406 -1.929 1.00 0.00 C ATOM 639 N7 G A 2 -7.194 14.703 -1.247 1.00 0.00 N ATOM 640 C5 G A 2 -8.168 13.861 -1.783 1.00 0.00 C ATOM 641 C6 G A 2 -9.544 13.712 -1.448 1.00 0.00 C ATOM 642 O6 G A 2 -10.178 14.260 -0.551 1.00 0.00 O ATOM 643 N1 G A 2 -10.185 12.817 -2.293 1.00 0.00 N ATOM 644 C2 G A 2 -9.578 12.136 -3.322 1.00 0.00 C ATOM 645 N2 G A 2 -10.357 11.369 -4.078 1.00 0.00 N ATOM 646 N3 G A 2 -8.274 12.210 -3.593 1.00 0.00 N ATOM 647 C4 G A 2 -7.635 13.098 -2.793 1.00 0.00 C ATOM 0 H5' G A 2 -1.712 12.808 -1.683 1.00 0.00 H new ATOM 0 H5'' G A 2 -1.681 14.466 -2.251 1.00 0.00 H new ATOM 0 H4' G A 2 -2.345 12.682 -3.919 1.00 0.00 H new ATOM 0 H3' G A 2 -3.889 15.253 -3.445 1.00 0.00 H new ATOM 0 H2' G A 2 -5.555 14.519 -5.107 1.00 0.00 H new ATOM 0 HO2' G A 2 -5.212 12.676 -6.373 1.00 0.00 H new ATOM 0 H1' G A 2 -5.810 11.928 -4.230 1.00 0.00 H new ATOM 0 H8 G A 2 -5.173 14.902 -1.779 1.00 0.00 H new ATOM 0 H1 G A 2 -11.180 12.652 -2.139 1.00 0.00 H new ATOM 0 H21 G A 2 -9.956 10.843 -4.854 1.00 0.00 H new ATOM 0 H22 G A 2 -11.356 11.307 -3.882 1.00 0.00 H new ATOM 659 P G A 3 -2.836 16.411 -5.575 1.00 0.00 P ATOM 660 OP1 G A 3 -1.564 16.762 -6.251 1.00 0.00 O ATOM 661 OP2 G A 3 -3.344 17.284 -4.493 1.00 0.00 O ATOM 662 O5' G A 3 -3.987 16.310 -6.701 1.00 0.00 O ATOM 663 C5' G A 3 -3.800 15.540 -7.872 1.00 0.00 C ATOM 664 C4' G A 3 -4.582 16.148 -9.032 1.00 0.00 C ATOM 665 O4' G A 3 -5.950 16.308 -8.665 1.00 0.00 O ATOM 666 C3' G A 3 -4.024 17.534 -9.379 1.00 0.00 C ATOM 667 O3' G A 3 -4.109 17.785 -10.770 1.00 0.00 O ATOM 668 C2' G A 3 -4.994 18.452 -8.660 1.00 0.00 C ATOM 669 O2' G A 3 -5.054 19.732 -9.259 1.00 0.00 O ATOM 670 C1' G A 3 -6.290 17.677 -8.817 1.00 0.00 C ATOM 671 N9 G A 3 -7.301 18.111 -7.838 1.00 0.00 N ATOM 672 C8 G A 3 -7.182 19.027 -6.825 1.00 0.00 C ATOM 673 N7 G A 3 -8.282 19.231 -6.158 1.00 0.00 N ATOM 674 C5 G A 3 -9.202 18.386 -6.776 1.00 0.00 C ATOM 675 C6 G A 3 -10.584 18.183 -6.499 1.00 0.00 C ATOM 676 O6 G A 3 -11.269 18.707 -5.628 1.00 0.00 O ATOM 677 N1 G A 3 -11.153 17.267 -7.364 1.00 0.00 N ATOM 678 C2 G A 3 -10.479 16.598 -8.357 1.00 0.00 C ATOM 679 N2 G A 3 -11.195 15.739 -9.078 1.00 0.00 N ATOM 680 N3 G A 3 -9.181 16.770 -8.619 1.00 0.00 N ATOM 681 C4 G A 3 -8.606 17.685 -7.793 1.00 0.00 C ATOM 0 H5' G A 3 -4.130 14.516 -7.699 1.00 0.00 H new ATOM 0 H5'' G A 3 -2.740 15.496 -8.122 1.00 0.00 H new ATOM 0 H4' G A 3 -4.492 15.480 -9.889 1.00 0.00 H new ATOM 0 H3' G A 3 -2.977 17.653 -9.101 1.00 0.00 H new ATOM 0 H2' G A 3 -4.729 18.670 -7.625 1.00 0.00 H new ATOM 0 HO2' G A 3 -4.717 19.679 -10.178 1.00 0.00 H new ATOM 0 H1' G A 3 -6.743 17.855 -9.792 1.00 0.00 H new ATOM 0 H8 G A 3 -6.256 19.535 -6.600 1.00 0.00 H new ATOM 0 H1 G A 3 -12.149 17.073 -7.257 1.00 0.00 H new ATOM 0 H21 G A 3 -10.752 15.211 -9.830 1.00 0.00 H new ATOM 0 H22 G A 3 -12.187 15.608 -8.878 1.00 0.00 H new ATOM 693 P U A 4 -3.193 17.001 -11.839 1.00 0.00 P ATOM 694 OP1 U A 4 -2.456 15.919 -11.142 1.00 0.00 O ATOM 695 OP2 U A 4 -2.448 18.005 -12.629 1.00 0.00 O ATOM 696 O5' U A 4 -4.304 16.339 -12.794 1.00 0.00 O ATOM 697 C5' U A 4 -4.635 14.966 -12.709 1.00 0.00 C ATOM 698 C4' U A 4 -6.021 14.738 -13.313 1.00 0.00 C ATOM 699 O4' U A 4 -7.017 15.241 -12.440 1.00 0.00 O ATOM 700 C3' U A 4 -6.191 15.453 -14.663 1.00 0.00 C ATOM 701 O3' U A 4 -6.252 14.524 -15.726 1.00 0.00 O ATOM 702 C2' U A 4 -7.516 16.208 -14.522 1.00 0.00 C ATOM 703 O2' U A 4 -8.384 15.961 -15.614 1.00 0.00 O ATOM 704 C1' U A 4 -8.111 15.667 -13.226 1.00 0.00 C ATOM 705 N1 U A 4 -8.904 16.697 -12.520 1.00 0.00 N ATOM 706 C2 U A 4 -10.288 16.568 -12.520 1.00 0.00 C ATOM 707 O2 U A 4 -10.868 15.654 -13.103 1.00 0.00 O ATOM 708 N3 U A 4 -10.992 17.538 -11.821 1.00 0.00 N ATOM 709 C4 U A 4 -10.438 18.607 -11.139 1.00 0.00 C ATOM 710 O4 U A 4 -11.158 19.398 -10.532 1.00 0.00 O ATOM 711 C5 U A 4 -8.998 18.681 -11.221 1.00 0.00 C ATOM 712 C6 U A 4 -8.287 17.745 -11.893 1.00 0.00 C ATOM 0 H5' U A 4 -4.622 14.641 -11.669 1.00 0.00 H new ATOM 0 H5'' U A 4 -3.893 14.368 -13.239 1.00 0.00 H new ATOM 0 H4' U A 4 -6.124 13.663 -13.460 1.00 0.00 H new ATOM 0 H3' U A 4 -5.354 16.113 -14.892 1.00 0.00 H new ATOM 0 H2' U A 4 -7.371 17.288 -14.508 1.00 0.00 H new ATOM 0 HO2' U A 4 -8.019 15.238 -16.165 1.00 0.00 H new ATOM 0 H1' U A 4 -8.799 14.846 -13.427 1.00 0.00 H new ATOM 0 H3 U A 4 -12.009 17.456 -11.809 1.00 0.00 H new ATOM 0 H5 U A 4 -8.480 19.496 -10.738 1.00 0.00 H new ATOM 0 H6 U A 4 -7.211 17.827 -11.935 1.00 0.00 H new ATOM 723 P G A 5 -4.913 13.815 -16.280 1.00 0.00 P ATOM 724 OP1 G A 5 -3.782 14.750 -16.086 1.00 0.00 O ATOM 725 OP2 G A 5 -5.202 13.293 -17.633 1.00 0.00 O ATOM 726 O5' G A 5 -4.700 12.556 -15.294 1.00 0.00 O ATOM 727 C5' G A 5 -5.429 11.361 -15.489 1.00 0.00 C ATOM 728 C4' G A 5 -4.893 10.262 -14.569 1.00 0.00 C ATOM 729 O4' G A 5 -5.382 10.450 -13.251 1.00 0.00 O ATOM 730 C3' G A 5 -5.424 8.912 -15.025 1.00 0.00 C ATOM 731 O3' G A 5 -4.586 7.884 -14.534 1.00 0.00 O ATOM 732 C2' G A 5 -6.790 8.879 -14.362 1.00 0.00 C ATOM 733 O2' G A 5 -7.215 7.550 -14.124 1.00 0.00 O ATOM 734 C1' G A 5 -6.549 9.659 -13.070 1.00 0.00 C ATOM 735 N9 G A 5 -7.711 10.505 -12.725 1.00 0.00 N ATOM 736 C8 G A 5 -8.991 10.456 -13.217 1.00 0.00 C ATOM 737 N7 G A 5 -9.790 11.351 -12.709 1.00 0.00 N ATOM 738 C5 G A 5 -8.989 12.042 -11.804 1.00 0.00 C ATOM 739 C6 G A 5 -9.311 13.120 -10.932 1.00 0.00 C ATOM 740 O6 G A 5 -10.386 13.703 -10.809 1.00 0.00 O ATOM 741 N1 G A 5 -8.226 13.501 -10.159 1.00 0.00 N ATOM 742 C2 G A 5 -6.987 12.905 -10.196 1.00 0.00 C ATOM 743 N2 G A 5 -6.066 13.378 -9.357 1.00 0.00 N ATOM 744 N3 G A 5 -6.674 11.899 -11.017 1.00 0.00 N ATOM 745 C4 G A 5 -7.719 11.519 -11.797 1.00 0.00 C ATOM 0 H5' G A 5 -5.352 11.045 -16.529 1.00 0.00 H new ATOM 0 H5'' G A 5 -6.486 11.533 -15.285 1.00 0.00 H new ATOM 0 H4' G A 5 -3.804 10.301 -14.598 1.00 0.00 H new ATOM 0 H3' G A 5 -5.466 8.773 -16.105 1.00 0.00 H new ATOM 0 H2' G A 5 -7.587 9.307 -14.970 1.00 0.00 H new ATOM 0 HO2' G A 5 -8.081 7.561 -13.665 1.00 0.00 H new ATOM 0 HO3' G A 5 -5.132 7.200 -14.092 1.00 0.00 H new ATOM 0 H1' G A 5 -6.411 8.965 -12.241 1.00 0.00 H new ATOM 0 H8 G A 5 -9.308 9.739 -13.960 1.00 0.00 H new ATOM 0 H1 G A 5 -8.356 14.281 -9.515 1.00 0.00 H new ATOM 0 H21 G A 5 -5.131 12.971 -9.344 1.00 0.00 H new ATOM 0 H22 G A 5 -6.296 14.147 -8.728 1.00 0.00 H new TER 757 G A 5 HETATM 758 ZN ZN B 501 -18.783 22.673 -9.851 1.00 0.00 ZN