USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 493 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 NoAdj-H: A 28 HIS HD1 : A 28 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 49 ASN : amide:sc= -0.116 K(o=-7.4,f=-8.4!) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -7.29! C(o=-7.4!,f=-6.4!) USER MOD Set 2.1: A 23 MET CE :methyl -177:sc= -2.52 (180deg=-1.52) USER MOD Set 2.2: A 53 HIS : no HD1:sc= -2.06! C(o=-4.6!,f=-15!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 37:sc= 0.124 USER MOD Single : A 3 SER OG : rot 28:sc= 0.0389 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 43:sc= 0.29 USER MOD Single : A 9 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.16) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.32) USER MOD Single : A 25 ASN : amide:sc= -2.44! C(o=-2.4!,f=-2.5!) USER MOD Single : A 26 SER OG : rot 56:sc= 0.701 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 48 LYS NZ :NH3+ -163:sc= -0.0429 (180deg=-0.296) USER MOD Single : A 60 ASN : amide:sc= -2.27! K(o=-2.3!,f=-1.7) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 38:sc= 0.586 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.297 -14.656 -7.843 1.00 0.00 N ATOM 2 CA GLY A 1 -18.842 -14.781 -9.183 1.00 0.00 C ATOM 3 C GLY A 1 -19.204 -13.439 -9.788 1.00 0.00 C ATOM 4 O GLY A 1 -18.473 -12.910 -10.625 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.065 -15.600 -7.473 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.435 -14.074 -7.872 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.999 -14.204 -7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.114 -15.280 -9.823 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.729 -15.414 -9.154 1.00 0.00 H new ATOM 8 N SER A 2 -20.337 -12.887 -9.366 1.00 0.00 N ATOM 9 CA SER A 2 -20.798 -11.601 -9.876 1.00 0.00 C ATOM 10 C SER A 2 -20.457 -10.477 -8.903 1.00 0.00 C ATOM 11 O SER A 2 -20.810 -10.532 -7.725 1.00 0.00 O ATOM 12 CB SER A 2 -22.308 -11.638 -10.122 1.00 0.00 C ATOM 13 OG SER A 2 -23.004 -12.054 -8.961 1.00 0.00 O ATOM 0 H SER A 2 -20.953 -13.310 -8.672 1.00 0.00 H new ATOM 0 HA SER A 2 -20.288 -11.408 -10.820 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.655 -10.649 -10.423 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.529 -12.318 -10.945 1.00 0.00 H new ATOM 0 HG SER A 2 -22.563 -11.688 -8.166 1.00 0.00 H new ATOM 19 N SER A 3 -19.769 -9.457 -9.405 1.00 0.00 N ATOM 20 CA SER A 3 -19.376 -8.320 -8.580 1.00 0.00 C ATOM 21 C SER A 3 -20.491 -7.281 -8.521 1.00 0.00 C ATOM 22 O SER A 3 -21.079 -6.925 -9.542 1.00 0.00 O ATOM 23 CB SER A 3 -18.098 -7.683 -9.128 1.00 0.00 C ATOM 24 OG SER A 3 -18.299 -7.181 -10.438 1.00 0.00 O ATOM 0 H SER A 3 -19.472 -9.394 -10.379 1.00 0.00 H new ATOM 0 HA SER A 3 -19.188 -8.683 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.780 -6.874 -8.470 1.00 0.00 H new ATOM 0 HB3 SER A 3 -17.295 -8.420 -9.137 1.00 0.00 H new ATOM 0 HG SER A 3 -19.240 -6.932 -10.552 1.00 0.00 H new ATOM 30 N GLY A 4 -20.777 -6.796 -7.316 1.00 0.00 N ATOM 31 CA GLY A 4 -21.821 -5.802 -7.145 1.00 0.00 C ATOM 32 C GLY A 4 -21.376 -4.636 -6.284 1.00 0.00 C ATOM 33 O GLY A 4 -20.806 -3.668 -6.786 1.00 0.00 O ATOM 0 H GLY A 4 -20.305 -7.074 -6.456 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.129 -5.431 -8.123 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.695 -6.271 -6.693 1.00 0.00 H new ATOM 37 N SER A 5 -21.638 -4.728 -4.985 1.00 0.00 N ATOM 38 CA SER A 5 -21.266 -3.670 -4.053 1.00 0.00 C ATOM 39 C SER A 5 -19.758 -3.436 -4.072 1.00 0.00 C ATOM 40 O SER A 5 -18.972 -4.382 -4.116 1.00 0.00 O ATOM 41 CB SER A 5 -21.720 -4.026 -2.636 1.00 0.00 C ATOM 42 OG SER A 5 -23.134 -4.020 -2.537 1.00 0.00 O ATOM 0 H SER A 5 -22.107 -5.525 -4.553 1.00 0.00 H new ATOM 0 HA SER A 5 -21.763 -2.752 -4.366 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.337 -5.010 -2.365 1.00 0.00 H new ATOM 0 HB3 SER A 5 -21.300 -3.314 -1.926 1.00 0.00 H new ATOM 0 HG SER A 5 -23.399 -4.252 -1.622 1.00 0.00 H new ATOM 48 N SER A 6 -19.363 -2.167 -4.039 1.00 0.00 N ATOM 49 CA SER A 6 -17.950 -1.806 -4.056 1.00 0.00 C ATOM 50 C SER A 6 -17.614 -0.870 -2.899 1.00 0.00 C ATOM 51 O SER A 6 -18.010 0.294 -2.893 1.00 0.00 O ATOM 52 CB SER A 6 -17.588 -1.142 -5.386 1.00 0.00 C ATOM 53 OG SER A 6 -18.490 -0.094 -5.695 1.00 0.00 O ATOM 0 H SER A 6 -20.001 -1.372 -4.000 1.00 0.00 H new ATOM 0 HA SER A 6 -17.366 -2.719 -3.943 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.573 -0.749 -5.335 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.603 -1.885 -6.183 1.00 0.00 H new ATOM 0 HG SER A 6 -18.661 0.438 -4.890 1.00 0.00 H new ATOM 59 N GLY A 7 -16.880 -1.389 -1.920 1.00 0.00 N ATOM 60 CA GLY A 7 -16.502 -0.588 -0.770 1.00 0.00 C ATOM 61 C GLY A 7 -15.021 -0.678 -0.462 1.00 0.00 C ATOM 62 O GLY A 7 -14.390 -1.708 -0.703 1.00 0.00 O ATOM 0 H GLY A 7 -16.540 -2.351 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.769 0.453 -0.953 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.071 -0.916 0.100 1.00 0.00 H new ATOM 66 N CYS A 8 -14.462 0.404 0.071 1.00 0.00 N ATOM 67 CA CYS A 8 -13.045 0.445 0.411 1.00 0.00 C ATOM 68 C CYS A 8 -12.712 -0.593 1.478 1.00 0.00 C ATOM 69 O CYS A 8 -13.524 -0.877 2.359 1.00 0.00 O ATOM 70 CB CYS A 8 -12.657 1.841 0.903 1.00 0.00 C ATOM 71 SG CYS A 8 -11.051 1.907 1.759 1.00 0.00 S ATOM 0 H CYS A 8 -14.970 1.264 0.277 1.00 0.00 H new ATOM 0 HA CYS A 8 -12.474 0.213 -0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -12.631 2.521 0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -13.432 2.205 1.578 1.00 0.00 H new ATOM 76 N HIS A 9 -11.511 -1.158 1.392 1.00 0.00 N ATOM 77 CA HIS A 9 -11.069 -2.164 2.351 1.00 0.00 C ATOM 78 C HIS A 9 -10.317 -1.517 3.510 1.00 0.00 C ATOM 79 O HIS A 9 -10.456 -1.933 4.660 1.00 0.00 O ATOM 80 CB HIS A 9 -10.177 -3.197 1.662 1.00 0.00 C ATOM 81 CG HIS A 9 -10.101 -4.504 2.391 1.00 0.00 C ATOM 82 ND1 HIS A 9 -11.217 -5.202 2.802 1.00 0.00 N ATOM 83 CD2 HIS A 9 -9.034 -5.241 2.779 1.00 0.00 C ATOM 84 CE1 HIS A 9 -10.840 -6.310 3.414 1.00 0.00 C ATOM 85 NE2 HIS A 9 -9.520 -6.358 3.413 1.00 0.00 N ATOM 0 H HIS A 9 -10.827 -0.936 0.668 1.00 0.00 H new ATOM 0 HA HIS A 9 -11.952 -2.664 2.749 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.552 -3.374 0.654 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -9.172 -2.788 1.561 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -7.994 -4.996 2.620 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.499 -7.051 3.842 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.954 -7.104 3.817 1.00 0.00 H new ATOM 94 N GLN A 10 -9.521 -0.499 3.198 1.00 0.00 N ATOM 95 CA GLN A 10 -8.747 0.203 4.215 1.00 0.00 C ATOM 96 C GLN A 10 -9.628 0.592 5.398 1.00 0.00 C ATOM 97 O GLN A 10 -9.506 0.030 6.487 1.00 0.00 O ATOM 98 CB GLN A 10 -8.095 1.451 3.617 1.00 0.00 C ATOM 99 CG GLN A 10 -7.368 2.308 4.641 1.00 0.00 C ATOM 100 CD GLN A 10 -5.986 1.778 4.970 1.00 0.00 C ATOM 101 OE1 GLN A 10 -5.137 1.638 4.089 1.00 0.00 O ATOM 102 NE2 GLN A 10 -5.753 1.481 6.243 1.00 0.00 N ATOM 0 H GLN A 10 -9.395 -0.143 2.251 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.968 -0.470 4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -7.390 1.147 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -8.862 2.053 3.130 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -7.282 3.326 4.261 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -7.961 2.358 5.554 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -6.486 1.613 6.940 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.841 1.121 6.524 1.00 0.00 H new ATOM 111 N CYS A 11 -10.514 1.557 5.177 1.00 0.00 N ATOM 112 CA CYS A 11 -11.415 2.023 6.225 1.00 0.00 C ATOM 113 C CYS A 11 -12.701 1.201 6.241 1.00 0.00 C ATOM 114 O CYS A 11 -13.156 0.762 7.296 1.00 0.00 O ATOM 115 CB CYS A 11 -11.745 3.503 6.022 1.00 0.00 C ATOM 116 SG CYS A 11 -12.556 3.873 4.433 1.00 0.00 S ATOM 0 H CYS A 11 -10.628 2.032 4.281 1.00 0.00 H new ATOM 0 HA CYS A 11 -10.912 1.898 7.184 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -12.392 3.835 6.834 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -10.824 4.082 6.091 1.00 0.00 H new ATOM 121 N GLY A 12 -13.281 0.997 5.062 1.00 0.00 N ATOM 122 CA GLY A 12 -14.508 0.229 4.963 1.00 0.00 C ATOM 123 C GLY A 12 -15.623 1.002 4.287 1.00 0.00 C ATOM 124 O GLY A 12 -16.416 0.432 3.537 1.00 0.00 O ATOM 0 H GLY A 12 -12.923 1.350 4.174 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.315 -0.687 4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.829 -0.067 5.962 1.00 0.00 H new ATOM 128 N GLU A 13 -15.686 2.303 4.553 1.00 0.00 N ATOM 129 CA GLU A 13 -16.714 3.154 3.966 1.00 0.00 C ATOM 130 C GLU A 13 -16.916 2.823 2.490 1.00 0.00 C ATOM 131 O GLU A 13 -16.035 2.256 1.843 1.00 0.00 O ATOM 132 CB GLU A 13 -16.338 4.629 4.123 1.00 0.00 C ATOM 133 CG GLU A 13 -15.810 4.979 5.504 1.00 0.00 C ATOM 134 CD GLU A 13 -16.146 6.399 5.914 1.00 0.00 C ATOM 135 OE1 GLU A 13 -15.363 7.313 5.579 1.00 0.00 O ATOM 136 OE2 GLU A 13 -17.190 6.598 6.570 1.00 0.00 O ATOM 0 H GLU A 13 -15.037 2.790 5.171 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.649 2.967 4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -15.583 4.884 3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.214 5.243 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.227 4.286 6.235 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.728 4.847 5.520 1.00 0.00 H new ATOM 143 N PHE A 14 -18.083 3.182 1.964 1.00 0.00 N ATOM 144 CA PHE A 14 -18.402 2.923 0.565 1.00 0.00 C ATOM 145 C PHE A 14 -17.789 3.988 -0.339 1.00 0.00 C ATOM 146 O PHE A 14 -17.929 5.185 -0.089 1.00 0.00 O ATOM 147 CB PHE A 14 -19.919 2.880 0.366 1.00 0.00 C ATOM 148 CG PHE A 14 -20.341 2.129 -0.864 1.00 0.00 C ATOM 149 CD1 PHE A 14 -20.138 0.761 -0.961 1.00 0.00 C ATOM 150 CD2 PHE A 14 -20.941 2.790 -1.924 1.00 0.00 C ATOM 151 CE1 PHE A 14 -20.525 0.068 -2.092 1.00 0.00 C ATOM 152 CE2 PHE A 14 -21.330 2.101 -3.058 1.00 0.00 C ATOM 153 CZ PHE A 14 -21.123 0.739 -3.141 1.00 0.00 C ATOM 0 H PHE A 14 -18.823 3.653 2.485 1.00 0.00 H new ATOM 0 HA PHE A 14 -17.979 1.955 0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.379 2.418 1.240 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.299 3.900 0.307 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -19.672 0.231 -0.143 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.107 3.856 -1.864 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -20.360 -0.997 -2.156 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.795 2.628 -3.878 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.428 0.199 -4.025 1.00 0.00 H new ATOM 163 N ILE A 15 -17.109 3.543 -1.390 1.00 0.00 N ATOM 164 CA ILE A 15 -16.475 4.457 -2.332 1.00 0.00 C ATOM 165 C ILE A 15 -17.477 4.970 -3.360 1.00 0.00 C ATOM 166 O ILE A 15 -18.217 4.191 -3.962 1.00 0.00 O ATOM 167 CB ILE A 15 -15.301 3.783 -3.068 1.00 0.00 C ATOM 168 CG1 ILE A 15 -14.397 3.055 -2.071 1.00 0.00 C ATOM 169 CG2 ILE A 15 -14.508 4.814 -3.856 1.00 0.00 C ATOM 170 CD1 ILE A 15 -13.473 2.047 -2.718 1.00 0.00 C ATOM 0 H ILE A 15 -16.983 2.555 -1.611 1.00 0.00 H new ATOM 0 HA ILE A 15 -16.094 5.296 -1.749 1.00 0.00 H new ATOM 0 HB ILE A 15 -15.702 3.050 -3.768 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -13.799 3.790 -1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -15.018 2.546 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -13.682 4.322 -4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -15.159 5.291 -4.588 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.114 5.568 -3.175 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -12.862 1.569 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -14.064 1.291 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -12.826 2.554 -3.434 1.00 0.00 H new ATOM 182 N ILE A 16 -17.494 6.283 -3.558 1.00 0.00 N ATOM 183 CA ILE A 16 -18.404 6.900 -4.515 1.00 0.00 C ATOM 184 C ILE A 16 -17.667 7.884 -5.418 1.00 0.00 C ATOM 185 O ILE A 16 -17.125 8.884 -4.951 1.00 0.00 O ATOM 186 CB ILE A 16 -19.556 7.635 -3.805 1.00 0.00 C ATOM 187 CG1 ILE A 16 -20.209 6.721 -2.767 1.00 0.00 C ATOM 188 CG2 ILE A 16 -20.584 8.114 -4.820 1.00 0.00 C ATOM 189 CD1 ILE A 16 -21.274 7.410 -1.941 1.00 0.00 C ATOM 0 H ILE A 16 -16.888 6.941 -3.068 1.00 0.00 H new ATOM 0 HA ILE A 16 -18.818 6.094 -5.121 1.00 0.00 H new ATOM 0 HB ILE A 16 -19.150 8.506 -3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -20.652 5.865 -3.276 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -19.439 6.332 -2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -21.392 8.632 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -20.109 8.796 -5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -20.988 7.258 -5.360 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -21.694 6.703 -1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -20.832 8.249 -1.404 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -22.064 7.775 -2.597 1.00 0.00 H new ATOM 201 N GLY A 17 -17.654 7.593 -6.715 1.00 0.00 N ATOM 202 CA GLY A 17 -16.983 8.462 -7.664 1.00 0.00 C ATOM 203 C GLY A 17 -15.711 7.848 -8.214 1.00 0.00 C ATOM 204 O GLY A 17 -15.667 7.427 -9.370 1.00 0.00 O ATOM 0 H GLY A 17 -18.096 6.771 -7.126 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.660 8.686 -8.488 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -16.746 9.409 -7.180 1.00 0.00 H new ATOM 208 N ARG A 18 -14.673 7.798 -7.386 1.00 0.00 N ATOM 209 CA ARG A 18 -13.393 7.234 -7.798 1.00 0.00 C ATOM 210 C ARG A 18 -13.049 6.003 -6.965 1.00 0.00 C ATOM 211 O ARG A 18 -12.900 6.087 -5.746 1.00 0.00 O ATOM 212 CB ARG A 18 -12.284 8.279 -7.664 1.00 0.00 C ATOM 213 CG ARG A 18 -10.884 7.688 -7.689 1.00 0.00 C ATOM 214 CD ARG A 18 -9.862 8.698 -8.186 1.00 0.00 C ATOM 215 NE ARG A 18 -8.634 8.053 -8.645 1.00 0.00 N ATOM 216 CZ ARG A 18 -7.550 8.722 -9.021 1.00 0.00 C ATOM 217 NH1 ARG A 18 -7.541 10.047 -8.994 1.00 0.00 N ATOM 218 NH2 ARG A 18 -6.471 8.064 -9.426 1.00 0.00 N ATOM 0 H ARG A 18 -14.693 8.141 -6.426 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.476 6.934 -8.843 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.378 9.002 -8.474 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.422 8.825 -6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.611 7.355 -6.688 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -10.871 6.808 -8.333 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.293 9.279 -9.001 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.626 9.399 -7.385 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.608 7.034 -8.678 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.368 10.556 -8.684 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.707 10.557 -9.283 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.474 7.044 -9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.639 8.578 -9.715 1.00 0.00 H new ATOM 232 N VAL A 19 -12.926 4.859 -7.631 1.00 0.00 N ATOM 233 CA VAL A 19 -12.599 3.611 -6.954 1.00 0.00 C ATOM 234 C VAL A 19 -11.225 3.101 -7.373 1.00 0.00 C ATOM 235 O VAL A 19 -10.987 2.825 -8.550 1.00 0.00 O ATOM 236 CB VAL A 19 -13.649 2.522 -7.245 1.00 0.00 C ATOM 237 CG1 VAL A 19 -13.086 1.142 -6.941 1.00 0.00 C ATOM 238 CG2 VAL A 19 -14.917 2.778 -6.444 1.00 0.00 C ATOM 0 H VAL A 19 -13.048 4.772 -8.640 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.594 3.824 -5.885 1.00 0.00 H new ATOM 0 HB VAL A 19 -13.902 2.559 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.842 0.386 -7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -12.209 0.962 -7.562 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.803 1.088 -5.890 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -15.648 1.999 -6.662 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -14.683 2.769 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -15.330 3.749 -6.716 1.00 0.00 H new ATOM 248 N ILE A 20 -10.324 2.978 -6.404 1.00 0.00 N ATOM 249 CA ILE A 20 -8.974 2.499 -6.674 1.00 0.00 C ATOM 250 C ILE A 20 -8.896 0.980 -6.560 1.00 0.00 C ATOM 251 O ILE A 20 -8.848 0.430 -5.460 1.00 0.00 O ATOM 252 CB ILE A 20 -7.951 3.128 -5.709 1.00 0.00 C ATOM 253 CG1 ILE A 20 -8.149 4.643 -5.637 1.00 0.00 C ATOM 254 CG2 ILE A 20 -6.533 2.794 -6.149 1.00 0.00 C ATOM 255 CD1 ILE A 20 -7.975 5.339 -6.968 1.00 0.00 C ATOM 0 H ILE A 20 -10.504 3.203 -5.426 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.731 2.797 -7.694 1.00 0.00 H new ATOM 0 HB ILE A 20 -8.109 2.712 -4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.148 4.853 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.440 5.060 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.822 3.245 -5.457 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.399 1.712 -6.153 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.362 3.185 -7.152 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.130 6.410 -6.841 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.967 5.160 -7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.702 4.949 -7.680 1.00 0.00 H new ATOM 267 N LYS A 21 -8.882 0.307 -7.706 1.00 0.00 N ATOM 268 CA LYS A 21 -8.807 -1.149 -7.738 1.00 0.00 C ATOM 269 C LYS A 21 -7.377 -1.625 -7.504 1.00 0.00 C ATOM 270 O LYS A 21 -6.485 -1.357 -8.309 1.00 0.00 O ATOM 271 CB LYS A 21 -9.319 -1.677 -9.079 1.00 0.00 C ATOM 272 CG LYS A 21 -10.834 -1.673 -9.196 1.00 0.00 C ATOM 273 CD LYS A 21 -11.431 -2.996 -8.747 1.00 0.00 C ATOM 274 CE LYS A 21 -12.832 -2.813 -8.184 1.00 0.00 C ATOM 275 NZ LYS A 21 -13.252 -3.974 -7.353 1.00 0.00 N ATOM 0 H LYS A 21 -8.922 0.747 -8.625 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.436 -1.538 -6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.899 -1.072 -9.882 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.955 -2.694 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.244 -0.864 -8.592 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.120 -1.476 -10.229 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.464 -3.686 -9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.790 -3.448 -7.990 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.866 -1.905 -7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.538 -2.679 -9.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.212 -3.810 -6.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.245 -4.837 -7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.593 -4.087 -6.556 1.00 0.00 H new ATOM 289 N ALA A 22 -7.166 -2.332 -6.399 1.00 0.00 N ATOM 290 CA ALA A 22 -5.845 -2.848 -6.063 1.00 0.00 C ATOM 291 C ALA A 22 -5.949 -4.100 -5.198 1.00 0.00 C ATOM 292 O ALA A 22 -6.984 -4.358 -4.585 1.00 0.00 O ATOM 293 CB ALA A 22 -5.027 -1.780 -5.352 1.00 0.00 C ATOM 0 H ALA A 22 -7.893 -2.561 -5.721 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.341 -3.119 -6.991 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -4.043 -2.179 -5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.915 -0.913 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.536 -1.482 -4.436 1.00 0.00 H new ATOM 299 N MET A 23 -4.870 -4.874 -5.154 1.00 0.00 N ATOM 300 CA MET A 23 -4.840 -6.099 -4.363 1.00 0.00 C ATOM 301 C MET A 23 -6.127 -6.897 -4.549 1.00 0.00 C ATOM 302 O MET A 23 -6.528 -7.659 -3.670 1.00 0.00 O ATOM 303 CB MET A 23 -4.638 -5.771 -2.883 1.00 0.00 C ATOM 304 CG MET A 23 -3.565 -4.724 -2.633 1.00 0.00 C ATOM 305 SD MET A 23 -3.272 -4.435 -0.878 1.00 0.00 S ATOM 306 CE MET A 23 -1.659 -5.188 -0.675 1.00 0.00 C ATOM 0 H MET A 23 -4.005 -4.675 -5.657 1.00 0.00 H new ATOM 0 HA MET A 23 -4.004 -6.706 -4.710 1.00 0.00 H new ATOM 0 HB2 MET A 23 -5.581 -5.419 -2.465 1.00 0.00 H new ATOM 0 HB3 MET A 23 -4.374 -6.684 -2.350 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.635 -5.042 -3.105 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.859 -3.788 -3.107 1.00 0.00 H new ATOM 0 HE1 MET A 23 -1.363 -5.137 0.373 1.00 0.00 H new ATOM 0 HE2 MET A 23 -1.702 -6.231 -0.990 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.929 -4.655 -1.284 1.00 0.00 H new ATOM 316 N ASN A 24 -6.770 -6.716 -5.698 1.00 0.00 N ATOM 317 CA ASN A 24 -8.012 -7.419 -5.998 1.00 0.00 C ATOM 318 C ASN A 24 -9.148 -6.918 -5.110 1.00 0.00 C ATOM 319 O ASN A 24 -9.973 -7.701 -4.641 1.00 0.00 O ATOM 320 CB ASN A 24 -7.828 -8.926 -5.808 1.00 0.00 C ATOM 321 CG ASN A 24 -8.975 -9.727 -6.395 1.00 0.00 C ATOM 322 OD1 ASN A 24 -9.642 -10.484 -5.690 1.00 0.00 O ATOM 323 ND2 ASN A 24 -9.208 -9.562 -7.691 1.00 0.00 N ATOM 0 H ASN A 24 -6.452 -6.089 -6.436 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.272 -7.220 -7.038 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.894 -9.237 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.741 -9.147 -4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -9.966 -10.074 -8.142 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.629 -8.923 -8.236 1.00 0.00 H new ATOM 330 N ASN A 25 -9.183 -5.609 -4.886 1.00 0.00 N ATOM 331 CA ASN A 25 -10.217 -5.003 -4.055 1.00 0.00 C ATOM 332 C ASN A 25 -10.316 -3.504 -4.317 1.00 0.00 C ATOM 333 O ASN A 25 -9.395 -2.896 -4.863 1.00 0.00 O ATOM 334 CB ASN A 25 -9.924 -5.255 -2.575 1.00 0.00 C ATOM 335 CG ASN A 25 -10.130 -6.706 -2.183 1.00 0.00 C ATOM 336 OD1 ASN A 25 -11.257 -7.202 -2.167 1.00 0.00 O ATOM 337 ND2 ASN A 25 -9.040 -7.394 -1.865 1.00 0.00 N ATOM 0 H ASN A 25 -8.507 -4.947 -5.268 1.00 0.00 H new ATOM 0 HA ASN A 25 -11.171 -5.463 -4.313 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.896 -4.965 -2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.570 -4.622 -1.967 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.117 -8.374 -1.594 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.126 -6.942 -1.892 1.00 0.00 H new ATOM 344 N SER A 26 -11.440 -2.913 -3.923 1.00 0.00 N ATOM 345 CA SER A 26 -11.662 -1.485 -4.118 1.00 0.00 C ATOM 346 C SER A 26 -11.180 -0.690 -2.908 1.00 0.00 C ATOM 347 O SER A 26 -11.305 -1.138 -1.768 1.00 0.00 O ATOM 348 CB SER A 26 -13.145 -1.207 -4.368 1.00 0.00 C ATOM 349 OG SER A 26 -13.952 -1.815 -3.374 1.00 0.00 O ATOM 0 H SER A 26 -12.211 -3.401 -3.467 1.00 0.00 H new ATOM 0 HA SER A 26 -11.089 -1.169 -4.990 1.00 0.00 H new ATOM 0 HB2 SER A 26 -13.320 -0.131 -4.376 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.428 -1.583 -5.351 1.00 0.00 H new ATOM 0 HG SER A 26 -13.666 -1.509 -2.488 1.00 0.00 H new ATOM 355 N TRP A 27 -10.629 0.491 -3.165 1.00 0.00 N ATOM 356 CA TRP A 27 -10.128 1.349 -2.098 1.00 0.00 C ATOM 357 C TRP A 27 -10.284 2.821 -2.464 1.00 0.00 C ATOM 358 O TRP A 27 -10.674 3.154 -3.583 1.00 0.00 O ATOM 359 CB TRP A 27 -8.659 1.035 -1.811 1.00 0.00 C ATOM 360 CG TRP A 27 -8.345 -0.430 -1.856 1.00 0.00 C ATOM 361 CD1 TRP A 27 -8.572 -1.285 -2.895 1.00 0.00 C ATOM 362 CD2 TRP A 27 -7.747 -1.210 -0.815 1.00 0.00 C ATOM 363 NE1 TRP A 27 -8.152 -2.551 -2.564 1.00 0.00 N ATOM 364 CE2 TRP A 27 -7.642 -2.531 -1.293 1.00 0.00 C ATOM 365 CE3 TRP A 27 -7.289 -0.922 0.474 1.00 0.00 C ATOM 366 CZ2 TRP A 27 -7.098 -3.559 -0.526 1.00 0.00 C ATOM 367 CZ3 TRP A 27 -6.751 -1.943 1.233 1.00 0.00 C ATOM 368 CH2 TRP A 27 -6.658 -3.248 0.732 1.00 0.00 C ATOM 0 H TRP A 27 -10.518 0.876 -4.103 1.00 0.00 H new ATOM 0 HA TRP A 27 -10.716 1.153 -1.202 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -8.035 1.556 -2.537 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -8.397 1.425 -0.828 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -9.017 -1.007 -3.839 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.211 -3.372 -3.167 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -7.355 0.081 0.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -7.026 -4.566 -0.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -6.396 -1.731 2.231 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -6.231 -4.024 1.350 1.00 0.00 H new ATOM 379 N HIS A 28 -9.978 3.698 -1.513 1.00 0.00 N ATOM 380 CA HIS A 28 -10.084 5.136 -1.737 1.00 0.00 C ATOM 381 C HIS A 28 -8.774 5.698 -2.282 1.00 0.00 C ATOM 382 O HIS A 28 -7.701 5.121 -2.105 1.00 0.00 O ATOM 383 CB HIS A 28 -10.458 5.849 -0.438 1.00 0.00 C ATOM 384 CG HIS A 28 -11.887 5.651 -0.036 1.00 0.00 C ATOM 385 ND1 HIS A 28 -12.260 5.131 1.185 1.00 0.00 N ATOM 386 CD2 HIS A 28 -13.037 5.910 -0.701 1.00 0.00 C ATOM 387 CE1 HIS A 28 -13.579 5.075 1.253 1.00 0.00 C ATOM 388 NE2 HIS A 28 -14.074 5.543 0.122 1.00 0.00 N ATOM 0 H HIS A 28 -9.655 3.439 -0.581 1.00 0.00 H new ATOM 0 HA HIS A 28 -10.868 5.308 -2.475 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -9.811 5.491 0.363 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -10.265 6.916 -0.550 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -13.123 6.327 -1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -14.154 4.709 2.091 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -15.066 5.620 -0.104 1.00 0.00 H new ATOM 396 N PRO A 29 -8.863 6.852 -2.961 1.00 0.00 N ATOM 397 CA PRO A 29 -7.694 7.517 -3.545 1.00 0.00 C ATOM 398 C PRO A 29 -6.768 8.100 -2.484 1.00 0.00 C ATOM 399 O PRO A 29 -5.727 8.672 -2.803 1.00 0.00 O ATOM 400 CB PRO A 29 -8.310 8.636 -4.390 1.00 0.00 C ATOM 401 CG PRO A 29 -9.627 8.912 -3.752 1.00 0.00 C ATOM 402 CD PRO A 29 -10.109 7.595 -3.210 1.00 0.00 C ATOM 0 HA PRO A 29 -7.073 6.825 -4.114 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.678 9.524 -4.393 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.430 8.327 -5.428 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.528 9.649 -2.955 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.334 9.318 -4.476 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -10.689 7.725 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.750 7.077 -3.924 1.00 0.00 H new ATOM 410 N GLU A 30 -7.154 7.949 -1.221 1.00 0.00 N ATOM 411 CA GLU A 30 -6.356 8.461 -0.113 1.00 0.00 C ATOM 412 C GLU A 30 -6.004 7.344 0.866 1.00 0.00 C ATOM 413 O GLU A 30 -4.993 7.413 1.567 1.00 0.00 O ATOM 414 CB GLU A 30 -7.111 9.574 0.617 1.00 0.00 C ATOM 415 CG GLU A 30 -8.273 9.072 1.457 1.00 0.00 C ATOM 416 CD GLU A 30 -8.674 10.051 2.543 1.00 0.00 C ATOM 417 OE1 GLU A 30 -8.655 11.272 2.279 1.00 0.00 O ATOM 418 OE2 GLU A 30 -9.007 9.597 3.657 1.00 0.00 O ATOM 0 H GLU A 30 -8.013 7.477 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.431 8.867 -0.523 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.415 10.112 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.486 10.289 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.129 8.883 0.810 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.002 8.120 1.913 1.00 0.00 H new ATOM 425 N CYS A 31 -6.845 6.317 0.909 1.00 0.00 N ATOM 426 CA CYS A 31 -6.625 5.185 1.802 1.00 0.00 C ATOM 427 C CYS A 31 -5.464 4.324 1.313 1.00 0.00 C ATOM 428 O CYS A 31 -4.484 4.120 2.030 1.00 0.00 O ATOM 429 CB CYS A 31 -7.894 4.337 1.906 1.00 0.00 C ATOM 430 SG CYS A 31 -9.142 5.003 3.054 1.00 0.00 S ATOM 0 H CYS A 31 -7.686 6.245 0.336 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.375 5.576 2.788 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.339 4.246 0.915 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.621 3.332 2.227 1.00 0.00 H new ATOM 435 N PHE A 32 -5.581 3.823 0.088 1.00 0.00 N ATOM 436 CA PHE A 32 -4.541 2.984 -0.497 1.00 0.00 C ATOM 437 C PHE A 32 -3.189 3.691 -0.466 1.00 0.00 C ATOM 438 O PHE A 32 -2.817 4.384 -1.413 1.00 0.00 O ATOM 439 CB PHE A 32 -4.904 2.616 -1.937 1.00 0.00 C ATOM 440 CG PHE A 32 -4.128 1.445 -2.470 1.00 0.00 C ATOM 441 CD1 PHE A 32 -4.061 0.260 -1.756 1.00 0.00 C ATOM 442 CD2 PHE A 32 -3.468 1.530 -3.685 1.00 0.00 C ATOM 443 CE1 PHE A 32 -3.347 -0.819 -2.244 1.00 0.00 C ATOM 444 CE2 PHE A 32 -2.754 0.454 -4.178 1.00 0.00 C ATOM 445 CZ PHE A 32 -2.694 -0.722 -3.457 1.00 0.00 C ATOM 0 H PHE A 32 -6.385 3.983 -0.519 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.468 2.073 0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.969 2.390 -1.988 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.730 3.479 -2.579 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -4.572 0.178 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.512 2.447 -4.253 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -3.300 -1.737 -1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.243 0.533 -5.126 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.138 -1.564 -3.841 1.00 0.00 H new ATOM 455 N ARG A 33 -2.460 3.511 0.630 1.00 0.00 N ATOM 456 CA ARG A 33 -1.150 4.133 0.787 1.00 0.00 C ATOM 457 C ARG A 33 -0.093 3.092 1.145 1.00 0.00 C ATOM 458 O ARG A 33 -0.408 2.036 1.696 1.00 0.00 O ATOM 459 CB ARG A 33 -1.202 5.215 1.867 1.00 0.00 C ATOM 460 CG ARG A 33 -2.231 6.300 1.593 1.00 0.00 C ATOM 461 CD ARG A 33 -2.200 7.379 2.664 1.00 0.00 C ATOM 462 NE ARG A 33 -1.314 8.482 2.304 1.00 0.00 N ATOM 463 CZ ARG A 33 -0.755 9.296 3.193 1.00 0.00 C ATOM 464 NH1 ARG A 33 -0.988 9.130 4.487 1.00 0.00 N ATOM 465 NH2 ARG A 33 0.041 10.278 2.787 1.00 0.00 N ATOM 0 H ARG A 33 -2.754 2.940 1.422 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.877 4.591 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.425 4.748 2.826 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -0.218 5.674 1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.039 6.748 0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.226 5.857 1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.208 7.761 2.823 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.872 6.944 3.608 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.113 8.636 1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.598 8.376 4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.557 9.756 5.167 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.224 10.408 1.792 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.470 10.902 3.470 1.00 0.00 H new ATOM 479 N CYS A 34 1.161 3.396 0.827 1.00 0.00 N ATOM 480 CA CYS A 34 2.264 2.488 1.114 1.00 0.00 C ATOM 481 C CYS A 34 2.165 1.942 2.535 1.00 0.00 C ATOM 482 O CYS A 34 1.547 2.556 3.405 1.00 0.00 O ATOM 483 CB CYS A 34 3.603 3.202 0.922 1.00 0.00 C ATOM 484 SG CYS A 34 5.049 2.094 0.955 1.00 0.00 S ATOM 0 H CYS A 34 1.438 4.265 0.370 1.00 0.00 H new ATOM 0 HA CYS A 34 2.203 1.651 0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.587 3.732 -0.030 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.717 3.954 1.703 1.00 0.00 H new ATOM 489 N ASP A 35 2.777 0.785 2.763 1.00 0.00 N ATOM 490 CA ASP A 35 2.759 0.157 4.079 1.00 0.00 C ATOM 491 C ASP A 35 4.054 0.441 4.834 1.00 0.00 C ATOM 492 O ASP A 35 4.336 -0.180 5.860 1.00 0.00 O ATOM 493 CB ASP A 35 2.554 -1.353 3.944 1.00 0.00 C ATOM 494 CG ASP A 35 1.826 -1.947 5.133 1.00 0.00 C ATOM 495 OD1 ASP A 35 0.585 -1.822 5.192 1.00 0.00 O ATOM 496 OD2 ASP A 35 2.497 -2.537 6.005 1.00 0.00 O ATOM 0 H ASP A 35 3.292 0.263 2.054 1.00 0.00 H new ATOM 0 HA ASP A 35 1.929 0.580 4.645 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.989 -1.560 3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.523 -1.840 3.835 1.00 0.00 H new ATOM 501 N LEU A 36 4.837 1.384 4.322 1.00 0.00 N ATOM 502 CA LEU A 36 6.103 1.750 4.947 1.00 0.00 C ATOM 503 C LEU A 36 6.212 3.263 5.109 1.00 0.00 C ATOM 504 O LEU A 36 6.749 3.755 6.102 1.00 0.00 O ATOM 505 CB LEU A 36 7.276 1.229 4.115 1.00 0.00 C ATOM 506 CG LEU A 36 7.442 -0.290 4.068 1.00 0.00 C ATOM 507 CD1 LEU A 36 8.126 -0.713 2.777 1.00 0.00 C ATOM 508 CD2 LEU A 36 8.230 -0.778 5.275 1.00 0.00 C ATOM 0 H LEU A 36 4.617 1.909 3.476 1.00 0.00 H new ATOM 0 HA LEU A 36 6.137 1.293 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.162 1.594 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.195 1.663 4.508 1.00 0.00 H new ATOM 0 HG LEU A 36 6.452 -0.745 4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.235 -1.797 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.523 -0.397 1.925 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.110 -0.248 2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.338 -1.861 5.225 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.216 -0.314 5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.700 -0.508 6.189 1.00 0.00 H new ATOM 520 N CYS A 37 5.698 3.997 4.128 1.00 0.00 N ATOM 521 CA CYS A 37 5.735 5.454 4.161 1.00 0.00 C ATOM 522 C CYS A 37 4.327 6.036 4.077 1.00 0.00 C ATOM 523 O CYS A 37 4.124 7.228 4.308 1.00 0.00 O ATOM 524 CB CYS A 37 6.590 5.989 3.010 1.00 0.00 C ATOM 525 SG CYS A 37 5.930 5.609 1.355 1.00 0.00 S ATOM 0 H CYS A 37 5.250 3.606 3.299 1.00 0.00 H new ATOM 0 HA CYS A 37 6.179 5.760 5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.683 7.070 3.113 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.594 5.573 3.093 1.00 0.00 H new ATOM 530 N GLN A 38 3.360 5.187 3.747 1.00 0.00 N ATOM 531 CA GLN A 38 1.972 5.617 3.632 1.00 0.00 C ATOM 532 C GLN A 38 1.815 6.661 2.532 1.00 0.00 C ATOM 533 O GLN A 38 1.281 7.745 2.763 1.00 0.00 O ATOM 534 CB GLN A 38 1.481 6.186 4.965 1.00 0.00 C ATOM 535 CG GLN A 38 1.636 5.224 6.131 1.00 0.00 C ATOM 536 CD GLN A 38 0.402 4.372 6.353 1.00 0.00 C ATOM 537 OE1 GLN A 38 -0.688 4.890 6.597 1.00 0.00 O ATOM 538 NE2 GLN A 38 0.567 3.057 6.270 1.00 0.00 N ATOM 0 H GLN A 38 3.512 4.197 3.554 1.00 0.00 H new ATOM 0 HA GLN A 38 1.369 4.747 3.371 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.031 7.101 5.184 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.431 6.461 4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.493 4.575 5.950 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.850 5.790 7.038 1.00 0.00 H new ATOM 0 HE21 GLN A 38 1.489 2.671 6.066 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.228 2.433 6.411 1.00 0.00 H new ATOM 547 N GLU A 39 2.283 6.326 1.334 1.00 0.00 N ATOM 548 CA GLU A 39 2.195 7.235 0.197 1.00 0.00 C ATOM 549 C GLU A 39 1.116 6.781 -0.781 1.00 0.00 C ATOM 550 O GLU A 39 1.108 5.632 -1.224 1.00 0.00 O ATOM 551 CB GLU A 39 3.544 7.324 -0.519 1.00 0.00 C ATOM 552 CG GLU A 39 3.480 8.057 -1.848 1.00 0.00 C ATOM 553 CD GLU A 39 4.816 8.650 -2.253 1.00 0.00 C ATOM 554 OE1 GLU A 39 5.779 7.874 -2.430 1.00 0.00 O ATOM 555 OE2 GLU A 39 4.899 9.888 -2.393 1.00 0.00 O ATOM 0 H GLU A 39 2.727 5.432 1.125 1.00 0.00 H new ATOM 0 HA GLU A 39 1.926 8.222 0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.258 7.829 0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.924 6.316 -0.687 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.143 7.368 -2.623 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.738 8.853 -1.784 1.00 0.00 H new ATOM 562 N VAL A 40 0.205 7.691 -1.113 1.00 0.00 N ATOM 563 CA VAL A 40 -0.879 7.385 -2.039 1.00 0.00 C ATOM 564 C VAL A 40 -0.376 6.563 -3.221 1.00 0.00 C ATOM 565 O VAL A 40 0.500 7.001 -3.968 1.00 0.00 O ATOM 566 CB VAL A 40 -1.545 8.669 -2.567 1.00 0.00 C ATOM 567 CG1 VAL A 40 -2.679 8.329 -3.522 1.00 0.00 C ATOM 568 CG2 VAL A 40 -2.048 9.521 -1.412 1.00 0.00 C ATOM 0 H VAL A 40 0.196 8.646 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.616 6.805 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.800 9.244 -3.116 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.137 9.249 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.286 7.762 -4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -3.427 7.732 -3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.516 10.424 -1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.779 8.955 -0.834 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.211 9.795 -0.770 1.00 0.00 H new ATOM 578 N LEU A 41 -0.937 5.370 -3.386 1.00 0.00 N ATOM 579 CA LEU A 41 -0.547 4.486 -4.478 1.00 0.00 C ATOM 580 C LEU A 41 -1.685 4.323 -5.480 1.00 0.00 C ATOM 581 O LEU A 41 -1.915 3.232 -6.001 1.00 0.00 O ATOM 582 CB LEU A 41 -0.134 3.118 -3.931 1.00 0.00 C ATOM 583 CG LEU A 41 0.563 3.122 -2.570 1.00 0.00 C ATOM 584 CD1 LEU A 41 0.478 1.749 -1.923 1.00 0.00 C ATOM 585 CD2 LEU A 41 2.014 3.557 -2.716 1.00 0.00 C ATOM 0 H LEU A 41 -1.663 4.993 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 41 0.302 4.937 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.025 2.494 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.529 2.645 -4.655 1.00 0.00 H new ATOM 0 HG LEU A 41 0.054 3.837 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.979 1.771 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.568 1.477 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.962 1.013 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.495 3.554 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.536 2.867 -3.379 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.052 4.562 -3.136 1.00 0.00 H new ATOM 597 N ALA A 42 -2.393 5.416 -5.747 1.00 0.00 N ATOM 598 CA ALA A 42 -3.504 5.395 -6.690 1.00 0.00 C ATOM 599 C ALA A 42 -3.043 5.783 -8.090 1.00 0.00 C ATOM 600 O ALA A 42 -3.547 5.262 -9.086 1.00 0.00 O ATOM 601 CB ALA A 42 -4.612 6.326 -6.220 1.00 0.00 C ATOM 0 H ALA A 42 -2.217 6.327 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.893 4.378 -6.733 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.436 6.301 -6.934 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.969 6.002 -5.242 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.226 7.343 -6.147 1.00 0.00 H new ATOM 607 N ASP A 43 -2.084 6.699 -8.160 1.00 0.00 N ATOM 608 CA ASP A 43 -1.555 7.156 -9.440 1.00 0.00 C ATOM 609 C ASP A 43 -0.165 6.580 -9.690 1.00 0.00 C ATOM 610 O ASP A 43 0.119 6.065 -10.772 1.00 0.00 O ATOM 611 CB ASP A 43 -1.501 8.684 -9.477 1.00 0.00 C ATOM 612 CG ASP A 43 -1.591 9.232 -10.888 1.00 0.00 C ATOM 613 OD1 ASP A 43 -0.940 8.662 -11.788 1.00 0.00 O ATOM 614 OD2 ASP A 43 -2.311 10.232 -11.092 1.00 0.00 O ATOM 0 H ASP A 43 -1.657 7.140 -7.346 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.222 6.804 -10.227 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.319 9.088 -8.880 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.573 9.023 -9.017 1.00 0.00 H new ATOM 619 N ILE A 44 0.698 6.671 -8.684 1.00 0.00 N ATOM 620 CA ILE A 44 2.058 6.159 -8.795 1.00 0.00 C ATOM 621 C ILE A 44 2.068 4.635 -8.855 1.00 0.00 C ATOM 622 O ILE A 44 3.002 4.031 -9.380 1.00 0.00 O ATOM 623 CB ILE A 44 2.932 6.621 -7.614 1.00 0.00 C ATOM 624 CG1 ILE A 44 2.416 6.020 -6.304 1.00 0.00 C ATOM 625 CG2 ILE A 44 2.955 8.140 -7.534 1.00 0.00 C ATOM 626 CD1 ILE A 44 3.474 5.921 -5.227 1.00 0.00 C ATOM 0 H ILE A 44 0.479 7.095 -7.782 1.00 0.00 H new ATOM 0 HA ILE A 44 2.472 6.560 -9.720 1.00 0.00 H new ATOM 0 HB ILE A 44 3.951 6.270 -7.776 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.590 6.628 -5.935 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.017 5.025 -6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.577 8.451 -6.694 1.00 0.00 H new ATOM 0 HG22 ILE A 44 3.364 8.547 -8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.940 8.512 -7.391 1.00 0.00 H new ATOM 0 HD11 ILE A 44 3.038 5.487 -4.327 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.291 5.289 -5.576 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.857 6.916 -5.000 1.00 0.00 H new ATOM 638 N GLY A 45 1.021 4.020 -8.315 1.00 0.00 N ATOM 639 CA GLY A 45 0.928 2.572 -8.319 1.00 0.00 C ATOM 640 C GLY A 45 1.509 1.950 -7.065 1.00 0.00 C ATOM 641 O GLY A 45 2.115 2.639 -6.245 1.00 0.00 O ATOM 0 H GLY A 45 0.235 4.499 -7.875 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.117 2.278 -8.416 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.451 2.180 -9.191 1.00 0.00 H new ATOM 645 N PHE A 46 1.323 0.643 -6.914 1.00 0.00 N ATOM 646 CA PHE A 46 1.831 -0.072 -5.749 1.00 0.00 C ATOM 647 C PHE A 46 2.592 -1.326 -6.169 1.00 0.00 C ATOM 648 O PHE A 46 2.586 -1.706 -7.340 1.00 0.00 O ATOM 649 CB PHE A 46 0.680 -0.450 -4.814 1.00 0.00 C ATOM 650 CG PHE A 46 -0.270 -1.452 -5.406 1.00 0.00 C ATOM 651 CD1 PHE A 46 -1.108 -1.097 -6.451 1.00 0.00 C ATOM 652 CD2 PHE A 46 -0.324 -2.747 -4.919 1.00 0.00 C ATOM 653 CE1 PHE A 46 -1.983 -2.016 -6.999 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.197 -3.671 -5.463 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.028 -3.305 -6.503 1.00 0.00 C ATOM 0 H PHE A 46 0.824 0.057 -7.584 1.00 0.00 H new ATOM 0 HA PHE A 46 2.518 0.589 -5.220 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.092 -0.854 -3.889 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.127 0.451 -4.550 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.077 -0.091 -6.842 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.323 -3.039 -4.105 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.631 -1.727 -7.814 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.229 -4.678 -5.075 1.00 0.00 H new ATOM 0 HZ PHE A 46 -2.712 -4.025 -6.928 1.00 0.00 H new ATOM 665 N VAL A 47 3.248 -1.964 -5.205 1.00 0.00 N ATOM 666 CA VAL A 47 4.014 -3.175 -5.474 1.00 0.00 C ATOM 667 C VAL A 47 3.732 -4.247 -4.427 1.00 0.00 C ATOM 668 O VAL A 47 4.237 -4.185 -3.306 1.00 0.00 O ATOM 669 CB VAL A 47 5.527 -2.888 -5.503 1.00 0.00 C ATOM 670 CG1 VAL A 47 6.300 -4.135 -5.902 1.00 0.00 C ATOM 671 CG2 VAL A 47 5.832 -1.736 -6.449 1.00 0.00 C ATOM 0 H VAL A 47 3.264 -1.662 -4.231 1.00 0.00 H new ATOM 0 HA VAL A 47 3.701 -3.536 -6.454 1.00 0.00 H new ATOM 0 HB VAL A 47 5.844 -2.599 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.367 -3.912 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.105 -4.930 -5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.983 -4.458 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.905 -1.547 -6.457 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.501 -1.994 -7.455 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.308 -0.841 -6.113 1.00 0.00 H new ATOM 681 N LYS A 48 2.922 -5.232 -4.800 1.00 0.00 N ATOM 682 CA LYS A 48 2.573 -6.321 -3.895 1.00 0.00 C ATOM 683 C LYS A 48 3.823 -6.933 -3.273 1.00 0.00 C ATOM 684 O LYS A 48 4.802 -7.209 -3.966 1.00 0.00 O ATOM 685 CB LYS A 48 1.782 -7.398 -4.642 1.00 0.00 C ATOM 686 CG LYS A 48 0.276 -7.216 -4.555 1.00 0.00 C ATOM 687 CD LYS A 48 -0.238 -7.482 -3.150 1.00 0.00 C ATOM 688 CE LYS A 48 -0.200 -8.965 -2.814 1.00 0.00 C ATOM 689 NZ LYS A 48 -1.160 -9.746 -3.642 1.00 0.00 N ATOM 0 H LYS A 48 2.495 -5.299 -5.724 1.00 0.00 H new ATOM 0 HA LYS A 48 1.954 -5.912 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.080 -7.395 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.045 -8.376 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.014 -6.201 -4.853 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.214 -7.891 -5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.365 -6.929 -2.430 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.260 -7.113 -3.059 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.809 -9.347 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.434 -9.104 -1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.319 -10.676 -3.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.063 -9.233 -3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.769 -9.875 -4.597 1.00 0.00 H new ATOM 703 N ASN A 49 3.783 -7.145 -1.961 1.00 0.00 N ATOM 704 CA ASN A 49 4.913 -7.726 -1.246 1.00 0.00 C ATOM 705 C ASN A 49 4.506 -8.150 0.162 1.00 0.00 C ATOM 706 O ASN A 49 4.172 -7.313 1.001 1.00 0.00 O ATOM 707 CB ASN A 49 6.068 -6.725 -1.176 1.00 0.00 C ATOM 708 CG ASN A 49 7.418 -7.407 -1.067 1.00 0.00 C ATOM 709 OD1 ASN A 49 7.535 -8.614 -1.280 1.00 0.00 O ATOM 710 ND2 ASN A 49 8.446 -6.635 -0.735 1.00 0.00 N ATOM 0 H ASN A 49 2.980 -6.923 -1.372 1.00 0.00 H new ATOM 0 HA ASN A 49 5.241 -8.611 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.053 -6.095 -2.065 1.00 0.00 H new ATOM 0 HB3 ASN A 49 5.925 -6.069 -0.317 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.379 -7.038 -0.647 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.303 -5.639 -0.568 1.00 0.00 H new ATOM 717 N ALA A 50 4.536 -9.454 0.414 1.00 0.00 N ATOM 718 CA ALA A 50 4.173 -9.989 1.720 1.00 0.00 C ATOM 719 C ALA A 50 2.751 -9.592 2.100 1.00 0.00 C ATOM 720 O ALA A 50 2.489 -9.193 3.234 1.00 0.00 O ATOM 721 CB ALA A 50 5.157 -9.511 2.778 1.00 0.00 C ATOM 0 H ALA A 50 4.808 -10.160 -0.270 1.00 0.00 H new ATOM 0 HA ALA A 50 4.216 -11.077 1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.874 -9.918 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.161 -9.850 2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.142 -8.422 2.823 1.00 0.00 H new ATOM 727 N GLY A 51 1.835 -9.703 1.143 1.00 0.00 N ATOM 728 CA GLY A 51 0.450 -9.351 1.397 1.00 0.00 C ATOM 729 C GLY A 51 0.283 -7.892 1.774 1.00 0.00 C ATOM 730 O GLY A 51 -0.698 -7.520 2.418 1.00 0.00 O ATOM 0 H GLY A 51 2.027 -10.030 0.196 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.145 -9.564 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.060 -9.977 2.199 1.00 0.00 H new ATOM 734 N ARG A 52 1.243 -7.065 1.374 1.00 0.00 N ATOM 735 CA ARG A 52 1.198 -5.640 1.676 1.00 0.00 C ATOM 736 C ARG A 52 1.353 -4.809 0.406 1.00 0.00 C ATOM 737 O ARG A 52 1.851 -5.296 -0.610 1.00 0.00 O ATOM 738 CB ARG A 52 2.299 -5.274 2.674 1.00 0.00 C ATOM 739 CG ARG A 52 2.212 -6.040 3.984 1.00 0.00 C ATOM 740 CD ARG A 52 3.568 -6.134 4.666 1.00 0.00 C ATOM 741 NE ARG A 52 3.563 -7.098 5.763 1.00 0.00 N ATOM 742 CZ ARG A 52 3.131 -6.817 6.987 1.00 0.00 C ATOM 743 NH1 ARG A 52 2.669 -5.606 7.269 1.00 0.00 N ATOM 744 NH2 ARG A 52 3.158 -7.747 7.932 1.00 0.00 N ATOM 0 H ARG A 52 2.061 -7.357 0.840 1.00 0.00 H new ATOM 0 HA ARG A 52 0.226 -5.419 2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.270 -5.463 2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.247 -4.206 2.883 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.503 -5.547 4.649 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.828 -7.043 3.796 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.323 -6.422 3.934 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.851 -5.153 5.047 1.00 0.00 H new ATOM 0 HE ARG A 52 3.911 -8.039 5.579 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.645 -4.888 6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.338 -5.393 8.210 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.511 -8.680 7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.826 -7.529 8.871 1.00 0.00 H new ATOM 758 N HIS A 53 0.922 -3.553 0.470 1.00 0.00 N ATOM 759 CA HIS A 53 1.012 -2.655 -0.676 1.00 0.00 C ATOM 760 C HIS A 53 2.036 -1.552 -0.422 1.00 0.00 C ATOM 761 O HIS A 53 1.791 -0.631 0.359 1.00 0.00 O ATOM 762 CB HIS A 53 -0.355 -2.038 -0.976 1.00 0.00 C ATOM 763 CG HIS A 53 -1.170 -1.764 0.250 1.00 0.00 C ATOM 764 ND1 HIS A 53 -1.565 -2.751 1.128 1.00 0.00 N ATOM 765 CD2 HIS A 53 -1.665 -0.604 0.743 1.00 0.00 C ATOM 766 CE1 HIS A 53 -2.268 -2.210 2.107 1.00 0.00 C ATOM 767 NE2 HIS A 53 -2.343 -0.908 1.897 1.00 0.00 N ATOM 0 H HIS A 53 0.507 -3.134 1.303 1.00 0.00 H new ATOM 0 HA HIS A 53 1.337 -3.237 -1.538 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.212 -1.106 -1.523 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.912 -2.709 -1.630 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.548 0.378 0.309 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.707 -2.742 2.938 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -2.826 -0.238 2.495 1.00 0.00 H new ATOM 776 N LEU A 54 3.183 -1.653 -1.085 1.00 0.00 N ATOM 777 CA LEU A 54 4.245 -0.665 -0.931 1.00 0.00 C ATOM 778 C LEU A 54 4.425 0.145 -2.211 1.00 0.00 C ATOM 779 O LEU A 54 3.801 -0.142 -3.233 1.00 0.00 O ATOM 780 CB LEU A 54 5.559 -1.353 -0.559 1.00 0.00 C ATOM 781 CG LEU A 54 5.435 -2.652 0.238 1.00 0.00 C ATOM 782 CD1 LEU A 54 6.754 -3.409 0.235 1.00 0.00 C ATOM 783 CD2 LEU A 54 4.988 -2.362 1.664 1.00 0.00 C ATOM 0 H LEU A 54 3.401 -2.409 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 54 3.960 0.016 -0.129 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.108 -1.564 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.162 -0.652 0.018 1.00 0.00 H new ATOM 0 HG LEU A 54 4.680 -3.277 -0.239 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.646 -4.330 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.033 -3.649 -0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.530 -2.790 0.687 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.905 -3.298 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.720 -1.717 2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.019 -1.863 1.647 1.00 0.00 H new ATOM 795 N CYS A 55 5.285 1.156 -2.149 1.00 0.00 N ATOM 796 CA CYS A 55 5.550 2.007 -3.303 1.00 0.00 C ATOM 797 C CYS A 55 6.912 1.687 -3.912 1.00 0.00 C ATOM 798 O CYS A 55 7.837 1.278 -3.211 1.00 0.00 O ATOM 799 CB CYS A 55 5.493 3.482 -2.899 1.00 0.00 C ATOM 800 SG CYS A 55 6.854 4.007 -1.808 1.00 0.00 S ATOM 0 H CYS A 55 5.811 1.406 -1.311 1.00 0.00 H new ATOM 0 HA CYS A 55 4.782 1.813 -4.051 1.00 0.00 H new ATOM 0 HB2 CYS A 55 5.507 4.095 -3.800 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.545 3.674 -2.397 1.00 0.00 H new ATOM 805 N ARG A 56 7.027 1.878 -5.223 1.00 0.00 N ATOM 806 CA ARG A 56 8.274 1.609 -5.927 1.00 0.00 C ATOM 807 C ARG A 56 9.476 2.018 -5.080 1.00 0.00 C ATOM 808 O ARG A 56 10.409 1.243 -4.867 1.00 0.00 O ATOM 809 CB ARG A 56 8.301 2.354 -7.263 1.00 0.00 C ATOM 810 CG ARG A 56 7.931 1.485 -8.453 1.00 0.00 C ATOM 811 CD ARG A 56 8.569 1.995 -9.736 1.00 0.00 C ATOM 812 NE ARG A 56 7.941 1.425 -10.924 1.00 0.00 N ATOM 813 CZ ARG A 56 8.538 1.352 -12.108 1.00 0.00 C ATOM 814 NH1 ARG A 56 9.773 1.810 -12.261 1.00 0.00 N ATOM 815 NH2 ARG A 56 7.901 0.819 -13.143 1.00 0.00 N ATOM 0 H ARG A 56 6.271 2.218 -5.818 1.00 0.00 H new ATOM 0 HA ARG A 56 8.332 0.537 -6.115 1.00 0.00 H new ATOM 0 HB2 ARG A 56 7.613 3.198 -7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 56 9.298 2.765 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.251 0.459 -8.269 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.847 1.465 -8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 56 8.492 3.082 -9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.631 1.750 -9.735 1.00 0.00 H new ATOM 0 HE ARG A 56 6.991 1.063 -10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.267 2.220 -11.468 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.229 1.753 -13.172 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.951 0.465 -13.030 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.361 0.764 -14.052 1.00 0.00 H new ATOM 829 N PRO A 57 9.455 3.264 -4.586 1.00 0.00 N ATOM 830 CA PRO A 57 10.535 3.804 -3.754 1.00 0.00 C ATOM 831 C PRO A 57 10.938 2.849 -2.636 1.00 0.00 C ATOM 832 O PRO A 57 12.096 2.441 -2.543 1.00 0.00 O ATOM 833 CB PRO A 57 9.928 5.083 -3.172 1.00 0.00 C ATOM 834 CG PRO A 57 8.891 5.494 -4.159 1.00 0.00 C ATOM 835 CD PRO A 57 8.375 4.242 -4.799 1.00 0.00 C ATOM 0 HA PRO A 57 11.447 3.971 -4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.490 4.902 -2.190 1.00 0.00 H new ATOM 0 HB3 PRO A 57 10.684 5.858 -3.046 1.00 0.00 H new ATOM 0 HG2 PRO A 57 8.084 6.036 -3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.315 6.163 -4.908 1.00 0.00 H new ATOM 0 HD2 PRO A 57 7.443 3.914 -4.340 1.00 0.00 H new ATOM 0 HD3 PRO A 57 8.173 4.390 -5.860 1.00 0.00 H new ATOM 843 N CYS A 58 9.977 2.497 -1.789 1.00 0.00 N ATOM 844 CA CYS A 58 10.232 1.589 -0.677 1.00 0.00 C ATOM 845 C CYS A 58 10.584 0.193 -1.183 1.00 0.00 C ATOM 846 O CYS A 58 11.705 -0.281 -0.999 1.00 0.00 O ATOM 847 CB CYS A 58 9.009 1.518 0.240 1.00 0.00 C ATOM 848 SG CYS A 58 8.613 3.088 1.074 1.00 0.00 S ATOM 0 H CYS A 58 9.014 2.827 -1.851 1.00 0.00 H new ATOM 0 HA CYS A 58 11.080 1.975 -0.112 1.00 0.00 H new ATOM 0 HB2 CYS A 58 8.146 1.203 -0.347 1.00 0.00 H new ATOM 0 HB3 CYS A 58 9.178 0.750 0.995 1.00 0.00 H new ATOM 853 N HIS A 59 9.618 -0.459 -1.823 1.00 0.00 N ATOM 854 CA HIS A 59 9.826 -1.800 -2.357 1.00 0.00 C ATOM 855 C HIS A 59 11.215 -1.930 -2.974 1.00 0.00 C ATOM 856 O HIS A 59 11.861 -2.971 -2.859 1.00 0.00 O ATOM 857 CB HIS A 59 8.759 -2.127 -3.402 1.00 0.00 C ATOM 858 CG HIS A 59 8.967 -3.447 -4.078 1.00 0.00 C ATOM 859 ND1 HIS A 59 8.889 -4.653 -3.414 1.00 0.00 N ATOM 860 CD2 HIS A 59 9.249 -3.747 -5.368 1.00 0.00 C ATOM 861 CE1 HIS A 59 9.117 -5.637 -4.266 1.00 0.00 C ATOM 862 NE2 HIS A 59 9.337 -5.114 -5.458 1.00 0.00 N ATOM 0 H HIS A 59 8.685 -0.081 -1.984 1.00 0.00 H new ATOM 0 HA HIS A 59 9.746 -2.509 -1.533 1.00 0.00 H new ATOM 0 HB2 HIS A 59 7.780 -2.124 -2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 59 8.747 -1.340 -4.156 1.00 0.00 H new ATOM 0 HD2 HIS A 59 9.380 -3.042 -6.176 1.00 0.00 H new ATOM 0 HE1 HIS A 59 9.122 -6.690 -4.028 1.00 0.00 H new ATOM 0 HE2 HIS A 59 9.540 -5.640 -6.308 1.00 0.00 H new ATOM 871 N ASN A 60 11.668 -0.867 -3.631 1.00 0.00 N ATOM 872 CA ASN A 60 12.980 -0.863 -4.267 1.00 0.00 C ATOM 873 C ASN A 60 14.092 -0.896 -3.223 1.00 0.00 C ATOM 874 O ASN A 60 15.048 -1.662 -3.343 1.00 0.00 O ATOM 875 CB ASN A 60 13.136 0.374 -5.154 1.00 0.00 C ATOM 876 CG ASN A 60 12.567 0.164 -6.544 1.00 0.00 C ATOM 877 OD1 ASN A 60 12.926 -0.789 -7.236 1.00 0.00 O ATOM 878 ND2 ASN A 60 11.675 1.056 -6.959 1.00 0.00 N ATOM 0 H ASN A 60 11.146 0.003 -3.737 1.00 0.00 H new ATOM 0 HA ASN A 60 13.059 -1.758 -4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.636 1.220 -4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.192 0.631 -5.232 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.258 0.967 -7.885 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.407 1.830 -6.351 1.00 0.00 H new ATOM 885 N ARG A 61 13.958 -0.061 -2.197 1.00 0.00 N ATOM 886 CA ARG A 61 14.951 0.005 -1.132 1.00 0.00 C ATOM 887 C ARG A 61 15.118 -1.354 -0.459 1.00 0.00 C ATOM 888 O ARG A 61 16.238 -1.794 -0.198 1.00 0.00 O ATOM 889 CB ARG A 61 14.546 1.053 -0.093 1.00 0.00 C ATOM 890 CG ARG A 61 14.507 2.470 -0.642 1.00 0.00 C ATOM 891 CD ARG A 61 13.596 3.363 0.186 1.00 0.00 C ATOM 892 NE ARG A 61 14.313 4.009 1.283 1.00 0.00 N ATOM 893 CZ ARG A 61 15.029 5.119 1.140 1.00 0.00 C ATOM 894 NH1 ARG A 61 15.122 5.703 -0.047 1.00 0.00 N ATOM 895 NH2 ARG A 61 15.652 5.647 2.185 1.00 0.00 N ATOM 0 H ARG A 61 13.172 0.579 -2.081 1.00 0.00 H new ATOM 0 HA ARG A 61 15.904 0.291 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 61 13.563 0.799 0.303 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.246 1.015 0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 61 15.515 2.885 -0.652 1.00 0.00 H new ATOM 0 HG3 ARG A 61 14.160 2.452 -1.675 1.00 0.00 H new ATOM 0 HD2 ARG A 61 13.154 4.125 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.775 2.770 0.589 1.00 0.00 H new ATOM 0 HE ARG A 61 14.261 3.585 2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 61 14.643 5.300 -0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 61 15.672 6.555 -0.154 1.00 0.00 H new ATOM 0 HH21 ARG A 61 15.582 5.201 3.100 1.00 0.00 H new ATOM 0 HH22 ARG A 61 16.201 6.499 2.074 1.00 0.00 H new ATOM 909 N GLU A 62 13.998 -2.014 -0.182 1.00 0.00 N ATOM 910 CA GLU A 62 14.022 -3.322 0.461 1.00 0.00 C ATOM 911 C GLU A 62 14.564 -4.386 -0.489 1.00 0.00 C ATOM 912 O GLU A 62 15.597 -5.002 -0.226 1.00 0.00 O ATOM 913 CB GLU A 62 12.618 -3.710 0.931 1.00 0.00 C ATOM 914 CG GLU A 62 11.883 -2.587 1.644 1.00 0.00 C ATOM 915 CD GLU A 62 12.166 -2.558 3.133 1.00 0.00 C ATOM 916 OE1 GLU A 62 12.307 -3.644 3.732 1.00 0.00 O ATOM 917 OE2 GLU A 62 12.246 -1.448 3.700 1.00 0.00 O ATOM 0 H GLU A 62 13.063 -1.664 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 62 14.683 -3.261 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.031 -4.028 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.692 -4.567 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.172 -1.632 1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.811 -2.700 1.484 1.00 0.00 H new ATOM 924 N LYS A 63 13.859 -4.596 -1.596 1.00 0.00 N ATOM 925 CA LYS A 63 14.268 -5.584 -2.587 1.00 0.00 C ATOM 926 C LYS A 63 15.726 -5.383 -2.986 1.00 0.00 C ATOM 927 O LYS A 63 16.453 -6.348 -3.225 1.00 0.00 O ATOM 928 CB LYS A 63 13.372 -5.495 -3.825 1.00 0.00 C ATOM 929 CG LYS A 63 13.762 -4.379 -4.779 1.00 0.00 C ATOM 930 CD LYS A 63 12.730 -4.200 -5.879 1.00 0.00 C ATOM 931 CE LYS A 63 12.979 -5.153 -7.038 1.00 0.00 C ATOM 932 NZ LYS A 63 13.909 -4.571 -8.045 1.00 0.00 N ATOM 0 H LYS A 63 13.002 -4.095 -1.829 1.00 0.00 H new ATOM 0 HA LYS A 63 14.165 -6.573 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.407 -6.445 -4.357 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.340 -5.346 -3.507 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.870 -3.447 -4.225 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.733 -4.601 -5.222 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.732 -4.370 -5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.756 -3.172 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.394 -6.087 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.031 -5.397 -7.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.053 -5.251 -8.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.502 -3.693 -8.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.822 -4.362 -7.594 1.00 0.00 H new ATOM 946 N ALA A 64 16.148 -4.125 -3.056 1.00 0.00 N ATOM 947 CA ALA A 64 17.521 -3.799 -3.422 1.00 0.00 C ATOM 948 C ALA A 64 18.496 -4.835 -2.875 1.00 0.00 C ATOM 949 O ALA A 64 19.307 -5.390 -3.616 1.00 0.00 O ATOM 950 CB ALA A 64 17.885 -2.410 -2.919 1.00 0.00 C ATOM 0 H ALA A 64 15.559 -3.315 -2.864 1.00 0.00 H new ATOM 0 HA ALA A 64 17.594 -3.810 -4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 64 18.913 -2.179 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.214 -1.675 -3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.789 -2.379 -1.834 1.00 0.00 H new ATOM 956 N SER A 65 18.413 -5.090 -1.573 1.00 0.00 N ATOM 957 CA SER A 65 19.292 -6.057 -0.926 1.00 0.00 C ATOM 958 C SER A 65 18.965 -7.477 -1.379 1.00 0.00 C ATOM 959 O SER A 65 17.809 -7.808 -1.636 1.00 0.00 O ATOM 960 CB SER A 65 19.166 -5.954 0.595 1.00 0.00 C ATOM 961 OG SER A 65 19.484 -4.648 1.045 1.00 0.00 O ATOM 0 H SER A 65 17.746 -4.640 -0.946 1.00 0.00 H new ATOM 0 HA SER A 65 20.318 -5.829 -1.215 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.150 -6.209 0.897 1.00 0.00 H new ATOM 0 HB3 SER A 65 19.830 -6.677 1.068 1.00 0.00 H new ATOM 0 HG SER A 65 19.394 -4.607 2.020 1.00 0.00 H new ATOM 967 N GLY A 66 19.995 -8.313 -1.475 1.00 0.00 N ATOM 968 CA GLY A 66 19.798 -9.687 -1.897 1.00 0.00 C ATOM 969 C GLY A 66 21.091 -10.353 -2.325 1.00 0.00 C ATOM 970 O GLY A 66 22.181 -9.803 -2.162 1.00 0.00 O ATOM 0 H GLY A 66 20.962 -8.063 -1.268 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.354 -10.255 -1.079 1.00 0.00 H new ATOM 0 HA3 GLY A 66 19.089 -9.712 -2.724 1.00 0.00 H new ATOM 974 N PRO A 67 20.979 -11.567 -2.884 1.00 0.00 N ATOM 975 CA PRO A 67 22.139 -12.335 -3.346 1.00 0.00 C ATOM 976 C PRO A 67 22.788 -11.719 -4.581 1.00 0.00 C ATOM 977 O PRO A 67 22.322 -10.704 -5.097 1.00 0.00 O ATOM 978 CB PRO A 67 21.545 -13.705 -3.683 1.00 0.00 C ATOM 979 CG PRO A 67 20.113 -13.433 -3.990 1.00 0.00 C ATOM 980 CD PRO A 67 19.712 -12.283 -3.109 1.00 0.00 C ATOM 0 HA PRO A 67 22.930 -12.369 -2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 67 22.053 -14.158 -4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 67 21.646 -14.397 -2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 67 19.980 -13.183 -5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 67 19.498 -14.310 -3.791 1.00 0.00 H new ATOM 0 HD2 PRO A 67 18.971 -11.646 -3.592 1.00 0.00 H new ATOM 0 HD3 PRO A 67 19.274 -12.628 -2.173 1.00 0.00 H new ATOM 988 N SER A 68 23.867 -12.339 -5.049 1.00 0.00 N ATOM 989 CA SER A 68 24.582 -11.848 -6.221 1.00 0.00 C ATOM 990 C SER A 68 23.660 -11.787 -7.434 1.00 0.00 C ATOM 991 O SER A 68 23.265 -12.817 -7.980 1.00 0.00 O ATOM 992 CB SER A 68 25.783 -12.746 -6.524 1.00 0.00 C ATOM 993 OG SER A 68 26.654 -12.135 -7.460 1.00 0.00 O ATOM 0 H SER A 68 24.265 -13.182 -4.635 1.00 0.00 H new ATOM 0 HA SER A 68 24.936 -10.840 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 68 26.325 -12.957 -5.602 1.00 0.00 H new ATOM 0 HB3 SER A 68 25.436 -13.702 -6.916 1.00 0.00 H new ATOM 0 HG SER A 68 27.414 -12.728 -7.635 1.00 0.00 H new ATOM 999 N SER A 69 23.320 -10.571 -7.850 1.00 0.00 N ATOM 1000 CA SER A 69 22.440 -10.374 -8.997 1.00 0.00 C ATOM 1001 C SER A 69 23.077 -9.432 -10.014 1.00 0.00 C ATOM 1002 O SER A 69 23.162 -8.225 -9.792 1.00 0.00 O ATOM 1003 CB SER A 69 21.091 -9.814 -8.541 1.00 0.00 C ATOM 1004 OG SER A 69 21.258 -8.605 -7.821 1.00 0.00 O ATOM 0 H SER A 69 23.640 -9.708 -7.411 1.00 0.00 H new ATOM 0 HA SER A 69 22.281 -11.342 -9.473 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.454 -9.639 -9.408 1.00 0.00 H new ATOM 0 HB3 SER A 69 20.582 -10.547 -7.914 1.00 0.00 H new ATOM 0 HG SER A 69 21.982 -8.082 -8.224 1.00 0.00 H new ATOM 1010 N GLY A 70 23.524 -9.995 -11.133 1.00 0.00 N ATOM 1011 CA GLY A 70 24.148 -9.192 -12.169 1.00 0.00 C ATOM 1012 C GLY A 70 23.424 -7.881 -12.401 1.00 0.00 C ATOM 1013 O GLY A 70 24.058 -6.913 -12.819 1.00 0.00 O ATOM 0 H GLY A 70 23.465 -10.992 -11.340 1.00 0.00 H new ATOM 0 HA2 GLY A 70 25.183 -8.988 -11.893 1.00 0.00 H new ATOM 0 HA3 GLY A 70 24.172 -9.760 -13.099 1.00 0.00 H new TER 1017 GLY A 70 HETATM 1018 ZN ZN A 201 -11.161 4.115 2.601 1.00 0.00 ZN HETATM 1019 ZN ZN A 401 6.748 3.625 0.401 1.00 0.00 ZN