USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 426 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 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 1 MET N :NH3+ -156:sc= 0.137 (180deg=-0.975) USER MOD Set 1.2: A 2 GLN : amide:sc= -0.0978 K(o=0.039,f=-6.2!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0489) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -3.18! C(o=-4!,f=-3.2!) USER MOD Single : A 9 GLN : amide:sc= -1.11 K(o=-1.1,f=-6.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -41:sc= -0.0899! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 1.01 K(o=1,f=-0.8) USER MOD Single : A 20 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00588) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.76! C(o=-1.8!,f=-9.7!) USER MOD Single : A 33 LYS NZ :NH3+ -157:sc= -0.0024 (180deg=-0.197) USER MOD Single : A 34 LYS NZ :NH3+ 152:sc= 1.54 (180deg=0.834) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00463) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -7.65! C(o=-7.6!,f=-11!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 125:sc= -0.204 (180deg=-1.15) USER MOD Single : A 50 THR OG1 : rot -7:sc= -0.237! USER MOD Single : A 53 GLN : amide:sc= -0.102 K(o=-0.1,f=-1) USER MOD Single : A 55 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C MET A 1 2.781 1.339 -1.460 1.00 1.00 C ATOM 4 O MET A 1 3.616 1.468 -2.354 1.00 1.00 O ATOM 5 CB MET A 1 1.122 -0.268 -2.413 1.00 1.00 C ATOM 6 CG MET A 1 -0.049 0.718 -2.403 1.00 1.00 C ATOM 7 SD MET A 1 -1.351 0.109 -1.345 1.00 1.00 S ATOM 8 CE MET A 1 -2.603 -0.245 -2.566 1.00 1.00 C ATOM 0 H1 MET A 1 1.200 -0.978 0.330 1.00 1.00 H new ATOM 0 H2 MET A 1 1.846 0.544 0.718 1.00 1.00 H new ATOM 0 H3 MET A 1 0.393 0.435 -0.155 1.00 1.00 H new ATOM 0 HA MET A 1 2.828 -0.784 -1.193 1.00 1.00 H new ATOM 0 HB2 MET A 1 1.664 -0.185 -3.355 1.00 1.00 H new ATOM 0 HB3 MET A 1 0.744 -1.288 -2.352 1.00 1.00 H new ATOM 0 HG2 MET A 1 0.289 1.693 -2.053 1.00 1.00 H new ATOM 0 HG3 MET A 1 -0.427 0.857 -3.416 1.00 1.00 H new ATOM 0 HE1 MET A 1 -3.492 -0.637 -2.072 1.00 1.00 H new ATOM 0 HE2 MET A 1 -2.859 0.670 -3.101 1.00 1.00 H new ATOM 0 HE3 MET A 1 -2.224 -0.984 -3.272 1.00 1.00 H new ATOM 18 N GLN A 2 2.421 2.303 -0.625 1.00 1.00 N ATOM 19 CA GLN A 2 3.011 3.628 -0.711 1.00 1.00 C ATOM 20 C GLN A 2 3.026 4.108 -2.164 1.00 1.00 C ATOM 21 O GLN A 2 4.000 3.893 -2.883 1.00 1.00 O ATOM 22 CB GLN A 2 4.420 3.641 -0.116 1.00 1.00 C ATOM 23 CG GLN A 2 4.376 3.454 1.402 1.00 1.00 C ATOM 24 CD GLN A 2 4.715 2.013 1.788 1.00 1.00 C ATOM 25 OE1 GLN A 2 4.125 1.059 1.307 1.00 1.00 O ATOM 26 NE2 GLN A 2 5.696 1.908 2.679 1.00 1.00 N ATOM 0 H GLN A 2 1.728 2.193 0.115 1.00 1.00 H new ATOM 0 HA GLN A 2 2.399 4.315 -0.127 1.00 1.00 H new ATOM 0 HB2 GLN A 2 5.016 2.848 -0.567 1.00 1.00 H new ATOM 0 HB3 GLN A 2 4.911 4.584 -0.356 1.00 1.00 H new ATOM 0 HG2 GLN A 2 5.081 4.137 1.876 1.00 1.00 H new ATOM 0 HG3 GLN A 2 3.384 3.710 1.775 1.00 1.00 H new ATOM 0 HE21 GLN A 2 6.148 2.748 3.041 1.00 1.00 H new ATOM 0 HE22 GLN A 2 5.997 0.988 3.000 1.00 1.00 H new ATOM 35 N LYS A 3 1.934 4.751 -2.552 1.00 1.00 N ATOM 36 CA LYS A 3 1.808 5.263 -3.906 1.00 1.00 C ATOM 37 C LYS A 3 2.412 6.667 -3.973 1.00 1.00 C ATOM 38 O LYS A 3 2.486 7.364 -2.962 1.00 1.00 O ATOM 39 CB LYS A 3 0.352 5.197 -4.371 1.00 1.00 C ATOM 40 CG LYS A 3 0.250 4.582 -5.768 1.00 1.00 C ATOM 41 CD LYS A 3 -1.200 4.563 -6.255 1.00 1.00 C ATOM 42 CE LYS A 3 -1.661 3.135 -6.551 1.00 1.00 C ATOM 43 NZ LYS A 3 -1.899 2.396 -5.291 1.00 1.00 N ATOM 0 H LYS A 3 1.128 4.929 -1.952 1.00 1.00 H new ATOM 0 HA LYS A 3 2.369 4.640 -4.603 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -0.232 4.606 -3.666 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -0.077 6.199 -4.379 1.00 1.00 H new ATOM 0 HG2 LYS A 3 0.864 5.152 -6.466 1.00 1.00 H new ATOM 0 HG3 LYS A 3 0.645 3.566 -5.752 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -1.847 5.008 -5.499 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -1.293 5.173 -7.154 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -2.575 3.157 -7.145 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.907 2.619 -7.145 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -1.662 1.393 -5.427 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -1.303 2.794 -4.537 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -2.900 2.482 -5.022 1.00 1.00 H new ATOM 56 N GLY A 4 2.829 7.041 -5.174 1.00 1.00 N ATOM 57 CA GLY A 4 3.424 8.350 -5.386 1.00 1.00 C ATOM 58 C GLY A 4 4.829 8.224 -5.978 1.00 1.00 C ATOM 59 O GLY A 4 5.008 8.342 -7.190 1.00 1.00 O ATOM 0 H GLY A 4 2.767 6.460 -6.010 1.00 1.00 H new ATOM 0 HA2 GLY A 4 2.794 8.935 -6.056 1.00 1.00 H new ATOM 0 HA3 GLY A 4 3.471 8.890 -4.440 1.00 1.00 H new ATOM 63 N ASN A 5 5.789 7.985 -5.097 1.00 1.00 N ATOM 64 CA ASN A 5 7.172 7.842 -5.518 1.00 1.00 C ATOM 65 C ASN A 5 7.324 6.551 -6.326 1.00 1.00 C ATOM 66 O ASN A 5 7.693 6.588 -7.499 1.00 1.00 O ATOM 67 CB ASN A 5 8.109 7.757 -4.312 1.00 1.00 C ATOM 68 CG ASN A 5 8.487 9.153 -3.812 1.00 1.00 C ATOM 69 OD1 ASN A 5 9.588 9.637 -4.019 1.00 1.00 O ATOM 70 ND2 ASN A 5 7.517 9.770 -3.145 1.00 1.00 N ATOM 0 H ASN A 5 5.636 7.887 -4.093 1.00 1.00 H new ATOM 0 HA ASN A 5 7.434 8.714 -6.117 1.00 1.00 H new ATOM 0 HB2 ASN A 5 7.626 7.198 -3.510 1.00 1.00 H new ATOM 0 HB3 ASN A 5 9.010 7.208 -4.585 1.00 1.00 H new ATOM 0 HD21 ASN A 5 7.671 10.706 -2.771 1.00 1.00 H new ATOM 0 HD22 ASN A 5 6.618 9.307 -3.008 1.00 1.00 H new ATOM 77 N PHE A 6 7.031 5.440 -5.666 1.00 1.00 N ATOM 78 CA PHE A 6 7.130 4.140 -6.308 1.00 1.00 C ATOM 79 C PHE A 6 8.550 3.889 -6.821 1.00 1.00 C ATOM 80 O PHE A 6 9.340 4.822 -6.954 1.00 1.00 O ATOM 81 CB PHE A 6 6.167 4.154 -7.496 1.00 1.00 C ATOM 82 CG PHE A 6 5.746 2.762 -7.972 1.00 1.00 C ATOM 83 CD1 PHE A 6 5.259 1.857 -7.082 1.00 1.00 C ATOM 84 CD2 PHE A 6 5.860 2.429 -9.286 1.00 1.00 C ATOM 85 CE1 PHE A 6 4.869 0.565 -7.524 1.00 1.00 C ATOM 86 CE2 PHE A 6 5.470 1.138 -9.728 1.00 1.00 C ATOM 87 CZ PHE A 6 4.982 0.233 -8.838 1.00 1.00 C ATOM 0 H PHE A 6 6.725 5.413 -4.693 1.00 1.00 H new ATOM 0 HA PHE A 6 6.885 3.353 -5.595 1.00 1.00 H new ATOM 0 HB2 PHE A 6 5.276 4.718 -7.221 1.00 1.00 H new ATOM 0 HB3 PHE A 6 6.636 4.684 -8.325 1.00 1.00 H new ATOM 0 HD1 PHE A 6 5.169 2.121 -6.039 1.00 1.00 H new ATOM 0 HD2 PHE A 6 6.247 3.147 -9.993 1.00 1.00 H new ATOM 0 HE1 PHE A 6 4.483 -0.154 -6.817 1.00 1.00 H new ATOM 0 HE2 PHE A 6 5.561 0.874 -10.771 1.00 1.00 H new ATOM 0 HZ PHE A 6 4.684 -0.749 -9.175 1.00 1.00 H new ATOM 97 N ARG A 7 8.830 2.623 -7.095 1.00 1.00 N ATOM 98 CA ARG A 7 10.141 2.237 -7.589 1.00 1.00 C ATOM 99 C ARG A 7 11.226 2.641 -6.589 1.00 1.00 C ATOM 100 O ARG A 7 11.788 3.731 -6.685 1.00 1.00 O ATOM 101 CB ARG A 7 10.433 2.891 -8.941 1.00 1.00 C ATOM 102 CG ARG A 7 9.733 2.141 -10.076 1.00 1.00 C ATOM 103 CD ARG A 7 10.457 0.832 -10.398 1.00 1.00 C ATOM 104 NE ARG A 7 11.277 0.994 -11.619 1.00 1.00 N ATOM 105 CZ ARG A 7 10.798 0.865 -12.875 1.00 1.00 C ATOM 106 NH1 ARG A 7 9.498 0.571 -13.085 1.00 1.00 N ATOM 107 NH2 ARG A 7 11.621 1.031 -13.893 1.00 1.00 N ATOM 0 H ARG A 7 8.172 1.852 -6.984 1.00 1.00 H new ATOM 0 HA ARG A 7 10.143 1.154 -7.713 1.00 1.00 H new ATOM 0 HB2 ARG A 7 10.100 3.929 -8.926 1.00 1.00 H new ATOM 0 HB3 ARG A 7 11.508 2.904 -9.118 1.00 1.00 H new ATOM 0 HG2 ARG A 7 8.701 1.930 -9.795 1.00 1.00 H new ATOM 0 HG3 ARG A 7 9.699 2.770 -10.966 1.00 1.00 H new ATOM 0 HD2 ARG A 7 11.091 0.542 -9.560 1.00 1.00 H new ATOM 0 HD3 ARG A 7 9.731 0.031 -10.541 1.00 1.00 H new ATOM 0 HE ARG A 7 12.266 1.217 -11.505 1.00 1.00 H new ATOM 0 HH11 ARG A 7 8.869 0.445 -12.292 1.00 1.00 H new ATOM 0 HH12 ARG A 7 9.144 0.475 -14.037 1.00 1.00 H new ATOM 0 HH21 ARG A 7 12.602 1.253 -13.725 1.00 1.00 H new ATOM 0 HH22 ARG A 7 11.276 0.937 -14.848 1.00 1.00 H new ATOM 120 N ASN A 8 11.487 1.741 -5.653 1.00 1.00 N ATOM 121 CA ASN A 8 12.495 1.990 -4.636 1.00 1.00 C ATOM 122 C ASN A 8 13.601 0.939 -4.752 1.00 1.00 C ATOM 123 O ASN A 8 14.761 1.276 -4.985 1.00 1.00 O ATOM 124 CB ASN A 8 11.896 1.893 -3.232 1.00 1.00 C ATOM 125 CG ASN A 8 11.963 3.243 -2.513 1.00 1.00 C ATOM 126 OD1 ASN A 8 13.187 3.589 -2.126 1.00 1.00 O flip ATOM 127 ND2 ASN A 8 10.969 3.924 -2.324 1.00 1.00 N flip ATOM 0 H ASN A 8 11.018 0.838 -5.577 1.00 1.00 H new ATOM 0 HA ASN A 8 12.890 2.994 -4.791 1.00 1.00 H new ATOM 0 HB2 ASN A 8 10.859 1.563 -3.297 1.00 1.00 H new ATOM 0 HB3 ASN A 8 12.434 1.142 -2.654 1.00 1.00 H new ATOM 0 HD21 ASN A 8 10.058 3.598 -2.648 1.00 1.00 H new ATOM 0 HD22 ASN A 8 11.048 4.820 -1.842 1.00 1.00 H new ATOM 134 N GLN A 9 13.202 -0.314 -4.584 1.00 1.00 N ATOM 135 CA GLN A 9 14.145 -1.416 -4.667 1.00 1.00 C ATOM 136 C GLN A 9 15.326 -1.177 -3.725 1.00 1.00 C ATOM 137 O GLN A 9 16.258 -0.449 -4.064 1.00 1.00 O ATOM 138 CB GLN A 9 14.624 -1.622 -6.106 1.00 1.00 C ATOM 139 CG GLN A 9 13.480 -2.102 -7.001 1.00 1.00 C ATOM 140 CD GLN A 9 12.752 -0.919 -7.642 1.00 1.00 C ATOM 141 OE1 GLN A 9 11.650 -0.555 -7.264 1.00 1.00 O ATOM 142 NE2 GLN A 9 13.426 -0.340 -8.631 1.00 1.00 N ATOM 0 H GLN A 9 12.239 -0.590 -4.391 1.00 1.00 H new ATOM 0 HA GLN A 9 13.636 -2.328 -4.355 1.00 1.00 H new ATOM 0 HB2 GLN A 9 15.028 -0.688 -6.496 1.00 1.00 H new ATOM 0 HB3 GLN A 9 15.434 -2.351 -6.123 1.00 1.00 H new ATOM 0 HG2 GLN A 9 13.872 -2.757 -7.779 1.00 1.00 H new ATOM 0 HG3 GLN A 9 12.776 -2.691 -6.413 1.00 1.00 H new ATOM 0 HE21 GLN A 9 14.345 -0.694 -8.898 1.00 1.00 H new ATOM 0 HE22 GLN A 9 13.025 0.458 -9.123 1.00 1.00 H new ATOM 151 N ARG A 10 15.249 -1.803 -2.560 1.00 1.00 N ATOM 152 CA ARG A 10 16.301 -1.666 -1.566 1.00 1.00 C ATOM 153 C ARG A 10 17.586 -2.334 -2.059 1.00 1.00 C ATOM 154 O ARG A 10 17.872 -3.476 -1.703 1.00 1.00 O ATOM 155 CB ARG A 10 15.885 -2.296 -0.235 1.00 1.00 C ATOM 156 CG ARG A 10 14.517 -1.777 0.213 1.00 1.00 C ATOM 157 CD ARG A 10 14.400 -1.787 1.739 1.00 1.00 C ATOM 158 NE ARG A 10 13.155 -1.102 2.155 1.00 1.00 N ATOM 159 CZ ARG A 10 12.948 -0.593 3.388 1.00 1.00 C ATOM 160 NH1 ARG A 10 13.902 -0.687 4.338 1.00 1.00 N ATOM 161 NH2 ARG A 10 11.797 -0.002 3.651 1.00 1.00 N ATOM 0 H ARG A 10 14.475 -2.406 -2.282 1.00 1.00 H new ATOM 0 HA ARG A 10 16.477 -0.601 -1.412 1.00 1.00 H new ATOM 0 HB2 ARG A 10 15.851 -3.381 -0.337 1.00 1.00 H new ATOM 0 HB3 ARG A 10 16.631 -2.071 0.527 1.00 1.00 H new ATOM 0 HG2 ARG A 10 14.368 -0.764 -0.160 1.00 1.00 H new ATOM 0 HG3 ARG A 10 13.730 -2.395 -0.220 1.00 1.00 H new ATOM 0 HD2 ARG A 10 14.400 -2.814 2.105 1.00 1.00 H new ATOM 0 HD3 ARG A 10 15.264 -1.291 2.182 1.00 1.00 H new ATOM 0 HE ARG A 10 12.407 -1.009 1.467 1.00 1.00 H new ATOM 0 HH11 ARG A 10 14.788 -1.146 4.127 1.00 1.00 H new ATOM 0 HH12 ARG A 10 13.737 -0.299 5.267 1.00 1.00 H new ATOM 0 HH21 ARG A 10 11.081 0.064 2.928 1.00 1.00 H new ATOM 0 HH22 ARG A 10 11.624 0.388 4.577 1.00 1.00 H new ATOM 174 N LYS A 11 18.327 -1.593 -2.869 1.00 1.00 N ATOM 175 CA LYS A 11 19.575 -2.099 -3.414 1.00 1.00 C ATOM 176 C LYS A 11 20.746 -1.525 -2.614 1.00 1.00 C ATOM 177 O LYS A 11 21.172 -2.114 -1.622 1.00 1.00 O ATOM 178 CB LYS A 11 19.659 -1.816 -4.916 1.00 1.00 C ATOM 179 CG LYS A 11 20.988 -2.304 -5.493 1.00 1.00 C ATOM 180 CD LYS A 11 20.806 -3.620 -6.252 1.00 1.00 C ATOM 181 CE LYS A 11 21.554 -4.761 -5.558 1.00 1.00 C ATOM 182 NZ LYS A 11 21.148 -6.067 -6.125 1.00 1.00 N ATOM 0 H LYS A 11 18.087 -0.646 -3.161 1.00 1.00 H new ATOM 0 HA LYS A 11 19.621 -3.183 -3.315 1.00 1.00 H new ATOM 0 HB2 LYS A 11 18.833 -2.309 -5.429 1.00 1.00 H new ATOM 0 HB3 LYS A 11 19.552 -0.746 -5.094 1.00 1.00 H new ATOM 0 HG2 LYS A 11 21.398 -1.548 -6.162 1.00 1.00 H new ATOM 0 HG3 LYS A 11 21.710 -2.441 -4.688 1.00 1.00 H new ATOM 0 HD2 LYS A 11 19.745 -3.863 -6.318 1.00 1.00 H new ATOM 0 HD3 LYS A 11 21.171 -3.509 -7.273 1.00 1.00 H new ATOM 0 HE2 LYS A 11 22.629 -4.625 -5.677 1.00 1.00 H new ATOM 0 HE3 LYS A 11 21.347 -4.742 -4.488 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 21.665 -6.830 -5.643 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 20.126 -6.202 -5.989 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 21.368 -6.088 -7.141 1.00 1.00 H new ATOM 195 N THR A 12 21.232 -0.382 -3.075 1.00 1.00 N ATOM 196 CA THR A 12 22.345 0.278 -2.415 1.00 1.00 C ATOM 197 C THR A 12 22.331 1.778 -2.717 1.00 1.00 C ATOM 198 O THR A 12 21.955 2.583 -1.865 1.00 1.00 O ATOM 199 CB THR A 12 23.635 -0.417 -2.853 1.00 1.00 C ATOM 200 OG1 THR A 12 23.358 -1.804 -2.681 1.00 1.00 O ATOM 201 CG2 THR A 12 24.800 -0.148 -1.898 1.00 1.00 C ATOM 0 H THR A 12 20.875 0.104 -3.898 1.00 1.00 H new ATOM 0 HA THR A 12 22.266 0.195 -1.331 1.00 1.00 H new ATOM 0 HB THR A 12 23.904 -0.083 -3.855 1.00 1.00 H new ATOM 0 HG1 THR A 12 22.859 -1.937 -1.848 1.00 1.00 H new ATOM 0 HG21 THR A 12 25.691 -0.665 -2.256 1.00 1.00 H new ATOM 0 HG22 THR A 12 24.995 0.924 -1.855 1.00 1.00 H new ATOM 0 HG23 THR A 12 24.545 -0.511 -0.902 1.00 1.00 H new ATOM 209 N VAL A 13 22.745 2.109 -3.931 1.00 1.00 N ATOM 210 CA VAL A 13 22.784 3.498 -4.356 1.00 1.00 C ATOM 211 C VAL A 13 23.312 4.362 -3.209 1.00 1.00 C ATOM 212 O VAL A 13 24.001 3.866 -2.319 1.00 1.00 O ATOM 213 CB VAL A 13 21.402 3.934 -4.846 1.00 1.00 C ATOM 214 CG1 VAL A 13 20.865 2.968 -5.904 1.00 1.00 C ATOM 215 CG2 VAL A 13 20.423 4.069 -3.678 1.00 1.00 C ATOM 0 H VAL A 13 23.057 1.439 -4.634 1.00 1.00 H new ATOM 0 HA VAL A 13 23.466 3.622 -5.197 1.00 1.00 H new ATOM 0 HB VAL A 13 21.506 4.915 -5.310 1.00 1.00 H new ATOM 0 HG11 VAL A 13 19.881 3.301 -6.235 1.00 1.00 H new ATOM 0 HG12 VAL A 13 21.546 2.945 -6.755 1.00 1.00 H new ATOM 0 HG13 VAL A 13 20.785 1.968 -5.477 1.00 1.00 H new ATOM 0 HG21 VAL A 13 19.448 4.380 -4.054 1.00 1.00 H new ATOM 0 HG22 VAL A 13 20.327 3.109 -3.171 1.00 1.00 H new ATOM 0 HG23 VAL A 13 20.795 4.814 -2.975 1.00 1.00 H new ATOM 225 N LYS A 14 22.969 5.641 -3.268 1.00 1.00 N ATOM 226 CA LYS A 14 23.400 6.579 -2.246 1.00 1.00 C ATOM 227 C LYS A 14 22.184 7.045 -1.442 1.00 1.00 C ATOM 228 O LYS A 14 21.094 7.195 -1.991 1.00 1.00 O ATOM 229 CB LYS A 14 24.199 7.724 -2.872 1.00 1.00 C ATOM 230 CG LYS A 14 23.331 8.535 -3.835 1.00 1.00 C ATOM 231 CD LYS A 14 24.084 8.832 -5.134 1.00 1.00 C ATOM 232 CE LYS A 14 23.191 9.579 -6.127 1.00 1.00 C ATOM 233 NZ LYS A 14 23.983 10.047 -7.286 1.00 1.00 N ATOM 0 H LYS A 14 22.398 6.049 -4.008 1.00 1.00 H new ATOM 0 HA LYS A 14 24.079 6.093 -1.545 1.00 1.00 H new ATOM 0 HB2 LYS A 14 24.584 8.375 -2.087 1.00 1.00 H new ATOM 0 HB3 LYS A 14 25.061 7.322 -3.404 1.00 1.00 H new ATOM 0 HG2 LYS A 14 22.417 7.985 -4.058 1.00 1.00 H new ATOM 0 HG3 LYS A 14 23.032 9.470 -3.361 1.00 1.00 H new ATOM 0 HD2 LYS A 14 24.970 9.428 -4.917 1.00 1.00 H new ATOM 0 HD3 LYS A 14 24.429 7.899 -5.580 1.00 1.00 H new ATOM 0 HE2 LYS A 14 22.389 8.924 -6.468 1.00 1.00 H new ATOM 0 HE3 LYS A 14 22.720 10.429 -5.633 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 23.362 10.552 -7.950 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 24.733 10.688 -6.958 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 24.412 9.230 -7.766 1.00 1.00 H new ATOM 246 N CYS A 15 22.413 7.261 -0.155 1.00 1.00 N ATOM 247 CA CYS A 15 21.350 7.707 0.729 1.00 1.00 C ATOM 248 C CYS A 15 21.271 9.233 0.654 1.00 1.00 C ATOM 249 O CYS A 15 22.204 9.927 1.056 1.00 1.00 O ATOM 250 CB CYS A 15 21.563 7.216 2.163 1.00 1.00 C ATOM 251 SG CYS A 15 20.186 7.779 3.228 1.00 1.00 S ATOM 0 H CYS A 15 23.319 7.135 0.297 1.00 1.00 H new ATOM 0 HA CYS A 15 20.401 7.279 0.406 1.00 1.00 H new ATOM 0 HB2 CYS A 15 21.624 6.128 2.178 1.00 1.00 H new ATOM 0 HB3 CYS A 15 22.510 7.594 2.549 1.00 1.00 H new ATOM 256 N PHE A 16 20.149 9.711 0.137 1.00 1.00 N ATOM 257 CA PHE A 16 19.936 11.142 0.004 1.00 1.00 C ATOM 258 C PHE A 16 19.382 11.737 1.301 1.00 1.00 C ATOM 259 O PHE A 16 18.920 12.877 1.318 1.00 1.00 O ATOM 260 CB PHE A 16 18.909 11.340 -1.112 1.00 1.00 C ATOM 261 CG PHE A 16 19.515 11.367 -2.517 1.00 1.00 C ATOM 262 CD1 PHE A 16 20.461 12.292 -2.832 1.00 1.00 C ATOM 263 CD2 PHE A 16 19.108 10.466 -3.451 1.00 1.00 C ATOM 264 CE1 PHE A 16 21.023 12.317 -4.136 1.00 1.00 C ATOM 265 CE2 PHE A 16 19.670 10.491 -4.754 1.00 1.00 C ATOM 266 CZ PHE A 16 20.616 11.416 -5.069 1.00 1.00 C ATOM 0 H PHE A 16 19.377 9.132 -0.195 1.00 1.00 H new ATOM 0 HA PHE A 16 20.880 11.639 -0.219 1.00 1.00 H new ATOM 0 HB2 PHE A 16 18.172 10.538 -1.060 1.00 1.00 H new ATOM 0 HB3 PHE A 16 18.376 12.275 -0.939 1.00 1.00 H new ATOM 0 HD1 PHE A 16 20.785 13.007 -2.091 1.00 1.00 H new ATOM 0 HD2 PHE A 16 18.357 9.731 -3.201 1.00 1.00 H new ATOM 0 HE1 PHE A 16 21.774 13.052 -4.386 1.00 1.00 H new ATOM 0 HE2 PHE A 16 19.346 9.775 -5.495 1.00 1.00 H new ATOM 0 HZ PHE A 16 21.044 11.435 -6.060 1.00 1.00 H new ATOM 276 N ASN A 17 19.448 10.938 2.356 1.00 1.00 N ATOM 277 CA ASN A 17 18.959 11.371 3.654 1.00 1.00 C ATOM 278 C ASN A 17 20.145 11.779 4.531 1.00 1.00 C ATOM 279 O ASN A 17 20.175 12.887 5.063 1.00 1.00 O ATOM 280 CB ASN A 17 18.211 10.242 4.366 1.00 1.00 C ATOM 281 CG ASN A 17 17.380 10.784 5.531 1.00 1.00 C ATOM 282 OD1 ASN A 17 16.552 11.667 5.379 1.00 1.00 O ATOM 283 ND2 ASN A 17 17.647 10.207 6.699 1.00 1.00 N ATOM 0 H ASN A 17 19.833 9.993 2.338 1.00 1.00 H new ATOM 0 HA ASN A 17 18.281 12.209 3.496 1.00 1.00 H new ATOM 0 HB2 ASN A 17 17.560 9.729 3.658 1.00 1.00 H new ATOM 0 HB3 ASN A 17 18.924 9.505 4.735 1.00 1.00 H new ATOM 0 HD21 ASN A 17 17.146 10.498 7.538 1.00 1.00 H new ATOM 0 HD22 ASN A 17 18.353 9.473 6.756 1.00 1.00 H new ATOM 290 N CYS A 18 21.092 10.861 4.654 1.00 1.00 N ATOM 291 CA CYS A 18 22.277 11.111 5.456 1.00 1.00 C ATOM 292 C CYS A 18 23.433 11.451 4.514 1.00 1.00 C ATOM 293 O CYS A 18 24.392 12.108 4.915 1.00 1.00 O ATOM 294 CB CYS A 18 22.609 9.922 6.361 1.00 1.00 C ATOM 295 SG CYS A 18 22.877 8.421 5.348 1.00 1.00 S ATOM 0 H CYS A 18 21.063 9.942 4.211 1.00 1.00 H new ATOM 0 HA CYS A 18 22.095 11.953 6.124 1.00 1.00 H new ATOM 0 HB2 CYS A 18 23.502 10.139 6.948 1.00 1.00 H new ATOM 0 HB3 CYS A 18 21.796 9.754 7.067 1.00 1.00 H new ATOM 300 N GLY A 19 23.303 10.989 3.279 1.00 1.00 N ATOM 301 CA GLY A 19 24.325 11.236 2.276 1.00 1.00 C ATOM 302 C GLY A 19 25.323 10.078 2.214 1.00 1.00 C ATOM 303 O GLY A 19 26.235 10.083 1.388 1.00 1.00 O ATOM 0 H GLY A 19 22.505 10.445 2.950 1.00 1.00 H new ATOM 0 HA2 GLY A 19 23.857 11.371 1.301 1.00 1.00 H new ATOM 0 HA3 GLY A 19 24.851 12.162 2.508 1.00 1.00 H new ATOM 307 N LYS A 20 25.117 9.113 3.097 1.00 1.00 N ATOM 308 CA LYS A 20 25.987 7.950 3.153 1.00 1.00 C ATOM 309 C LYS A 20 25.607 6.980 2.033 1.00 1.00 C ATOM 310 O LYS A 20 24.426 6.733 1.795 1.00 1.00 O ATOM 311 CB LYS A 20 25.955 7.323 4.548 1.00 1.00 C ATOM 312 CG LYS A 20 27.370 7.021 5.046 1.00 1.00 C ATOM 313 CD LYS A 20 27.363 5.863 6.047 1.00 1.00 C ATOM 314 CE LYS A 20 27.901 6.311 7.407 1.00 1.00 C ATOM 315 NZ LYS A 20 26.962 7.256 8.050 1.00 1.00 N ATOM 0 H LYS A 20 24.360 9.112 3.780 1.00 1.00 H new ATOM 0 HA LYS A 20 27.024 8.241 2.984 1.00 1.00 H new ATOM 0 HB2 LYS A 20 25.458 7.999 5.243 1.00 1.00 H new ATOM 0 HB3 LYS A 20 25.370 6.404 4.524 1.00 1.00 H new ATOM 0 HG2 LYS A 20 28.012 6.772 4.201 1.00 1.00 H new ATOM 0 HG3 LYS A 20 27.792 7.910 5.515 1.00 1.00 H new ATOM 0 HD2 LYS A 20 26.348 5.482 6.161 1.00 1.00 H new ATOM 0 HD3 LYS A 20 27.970 5.043 5.664 1.00 1.00 H new ATOM 0 HE2 LYS A 20 28.050 5.443 8.050 1.00 1.00 H new ATOM 0 HE3 LYS A 20 28.874 6.785 7.281 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 27.318 7.511 8.994 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 26.880 8.114 7.468 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 26.028 6.809 8.141 1.00 1.00 H new ATOM 328 N GLU A 21 26.631 6.455 1.375 1.00 1.00 N ATOM 329 CA GLU A 21 26.418 5.517 0.286 1.00 1.00 C ATOM 330 C GLU A 21 26.325 4.089 0.826 1.00 1.00 C ATOM 331 O GLU A 21 27.054 3.720 1.746 1.00 1.00 O ATOM 332 CB GLU A 21 27.526 5.635 -0.763 1.00 1.00 C ATOM 333 CG GLU A 21 28.879 5.220 -0.181 1.00 1.00 C ATOM 334 CD GLU A 21 29.886 6.369 -0.262 1.00 1.00 C ATOM 335 OE1 GLU A 21 30.417 6.802 0.771 1.00 1.00 O ATOM 336 OE2 GLU A 21 30.111 6.813 -1.452 1.00 1.00 O ATOM 0 H GLU A 21 27.610 6.661 1.575 1.00 1.00 H new ATOM 0 HA GLU A 21 25.474 5.763 -0.200 1.00 1.00 H new ATOM 0 HB2 GLU A 21 27.287 5.007 -1.621 1.00 1.00 H new ATOM 0 HB3 GLU A 21 27.581 6.662 -1.125 1.00 1.00 H new ATOM 0 HG2 GLU A 21 28.754 4.914 0.858 1.00 1.00 H new ATOM 0 HG3 GLU A 21 29.263 4.356 -0.724 1.00 1.00 H new ATOM 344 N GLY A 22 25.421 3.323 0.233 1.00 1.00 N ATOM 345 CA GLY A 22 25.223 1.943 0.643 1.00 1.00 C ATOM 346 C GLY A 22 23.744 1.658 0.911 1.00 1.00 C ATOM 347 O GLY A 22 23.325 0.502 0.935 1.00 1.00 O ATOM 0 H GLY A 22 24.817 3.632 -0.529 1.00 1.00 H new ATOM 0 HA2 GLY A 22 25.591 1.273 -0.134 1.00 1.00 H new ATOM 0 HA3 GLY A 22 25.805 1.740 1.542 1.00 1.00 H new ATOM 351 N HIS A 23 22.993 2.732 1.107 1.00 1.00 N ATOM 352 CA HIS A 23 21.570 2.612 1.372 1.00 1.00 C ATOM 353 C HIS A 23 20.838 3.832 0.810 1.00 1.00 C ATOM 354 O HIS A 23 21.464 4.738 0.262 1.00 1.00 O ATOM 355 CB HIS A 23 21.311 2.402 2.865 1.00 1.00 C ATOM 356 CG HIS A 23 21.608 3.613 3.717 1.00 1.00 C ATOM 357 ND1 HIS A 23 22.894 3.993 4.059 1.00 1.00 N ATOM 358 CD2 HIS A 23 20.771 4.526 4.289 1.00 1.00 C ATOM 359 CE1 HIS A 23 22.823 5.085 4.805 1.00 1.00 C ATOM 360 NE2 HIS A 23 21.507 5.414 4.947 1.00 1.00 N ATOM 0 H HIS A 23 23.344 3.690 1.087 1.00 1.00 H new ATOM 0 HA HIS A 23 21.176 1.730 0.866 1.00 1.00 H new ATOM 0 HB2 HIS A 23 20.268 2.119 3.006 1.00 1.00 H new ATOM 0 HB3 HIS A 23 21.918 1.567 3.215 1.00 1.00 H new ATOM 0 HD1 HIS A 23 23.751 3.513 3.783 1.00 1.00 H new ATOM 0 HD2 HIS A 23 19.693 4.526 4.219 1.00 1.00 H new ATOM 0 HE1 HIS A 23 23.660 5.621 5.227 1.00 1.00 H new ATOM 368 N ILE A 24 19.522 3.816 0.965 1.00 1.00 N ATOM 369 CA ILE A 24 18.698 4.911 0.480 1.00 1.00 C ATOM 370 C ILE A 24 18.058 5.628 1.670 1.00 1.00 C ATOM 371 O ILE A 24 18.120 5.143 2.798 1.00 1.00 O ATOM 372 CB ILE A 24 17.686 4.403 -0.550 1.00 1.00 C ATOM 373 CG1 ILE A 24 17.229 2.982 -0.215 1.00 1.00 C ATOM 374 CG2 ILE A 24 18.249 4.505 -1.969 1.00 1.00 C ATOM 375 CD1 ILE A 24 16.208 2.480 -1.238 1.00 1.00 C ATOM 0 H ILE A 24 19.006 3.063 1.419 1.00 1.00 H new ATOM 0 HA ILE A 24 19.309 5.646 -0.043 1.00 1.00 H new ATOM 0 HB ILE A 24 16.805 5.043 -0.507 1.00 1.00 H new ATOM 0 HG12 ILE A 24 18.090 2.314 -0.197 1.00 1.00 H new ATOM 0 HG13 ILE A 24 16.790 2.963 0.782 1.00 1.00 H new ATOM 0 HG21 ILE A 24 17.510 4.138 -2.681 1.00 1.00 H new ATOM 0 HG22 ILE A 24 18.483 5.546 -2.194 1.00 1.00 H new ATOM 0 HG23 ILE A 24 19.156 3.905 -2.045 1.00 1.00 H new ATOM 0 HD11 ILE A 24 15.899 1.468 -0.977 1.00 1.00 H new ATOM 0 HD12 ILE A 24 15.338 3.137 -1.236 1.00 1.00 H new ATOM 0 HD13 ILE A 24 16.658 2.477 -2.231 1.00 1.00 H new ATOM 387 N ALA A 25 17.457 6.772 1.377 1.00 1.00 N ATOM 388 CA ALA A 25 16.806 7.561 2.409 1.00 1.00 C ATOM 389 C ALA A 25 15.682 6.737 3.042 1.00 1.00 C ATOM 390 O ALA A 25 15.509 6.748 4.259 1.00 1.00 O ATOM 391 CB ALA A 25 16.298 8.872 1.805 1.00 1.00 C ATOM 0 H ALA A 25 17.407 7.171 0.440 1.00 1.00 H new ATOM 0 HA ALA A 25 17.512 7.818 3.199 1.00 1.00 H new ATOM 0 HB1 ALA A 25 15.810 9.464 2.579 1.00 1.00 H new ATOM 0 HB2 ALA A 25 17.138 9.433 1.395 1.00 1.00 H new ATOM 0 HB3 ALA A 25 15.584 8.654 1.010 1.00 1.00 H new ATOM 397 N LYS A 26 14.947 6.042 2.186 1.00 1.00 N ATOM 398 CA LYS A 26 13.845 5.214 2.646 1.00 1.00 C ATOM 399 C LYS A 26 14.391 4.090 3.529 1.00 1.00 C ATOM 400 O LYS A 26 13.647 3.481 4.296 1.00 1.00 O ATOM 401 CB LYS A 26 13.017 4.717 1.460 1.00 1.00 C ATOM 402 CG LYS A 26 11.748 4.007 1.936 1.00 1.00 C ATOM 403 CD LYS A 26 11.845 2.497 1.707 1.00 1.00 C ATOM 404 CE LYS A 26 11.167 2.098 0.395 1.00 1.00 C ATOM 405 NZ LYS A 26 9.796 1.601 0.651 1.00 1.00 N ATOM 0 H LYS A 26 15.093 6.035 1.177 1.00 1.00 H new ATOM 0 HA LYS A 26 13.160 5.798 3.260 1.00 1.00 H new ATOM 0 HB2 LYS A 26 12.749 5.558 0.821 1.00 1.00 H new ATOM 0 HB3 LYS A 26 13.615 4.035 0.855 1.00 1.00 H new ATOM 0 HG2 LYS A 26 11.590 4.208 2.996 1.00 1.00 H new ATOM 0 HG3 LYS A 26 10.884 4.404 1.404 1.00 1.00 H new ATOM 0 HD2 LYS A 26 12.892 2.195 1.686 1.00 1.00 H new ATOM 0 HD3 LYS A 26 11.377 1.969 2.538 1.00 1.00 H new ATOM 0 HE2 LYS A 26 11.130 2.955 -0.278 1.00 1.00 H new ATOM 0 HE3 LYS A 26 11.753 1.326 -0.104 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 9.350 1.334 -0.250 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 9.839 0.770 1.275 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 9.235 2.349 1.107 1.00 1.00 H new ATOM 418 N ASN A 27 15.687 3.849 3.391 1.00 1.00 N ATOM 419 CA ASN A 27 16.341 2.809 4.166 1.00 1.00 C ATOM 420 C ASN A 27 17.370 3.447 5.101 1.00 1.00 C ATOM 421 O ASN A 27 18.384 2.831 5.427 1.00 1.00 O ATOM 422 CB ASN A 27 17.076 1.823 3.256 1.00 1.00 C ATOM 423 CG ASN A 27 17.229 0.460 3.933 1.00 1.00 C ATOM 424 OD1 ASN A 27 16.363 -0.397 3.864 1.00 1.00 O ATOM 425 ND2 ASN A 27 18.375 0.308 4.590 1.00 1.00 N ATOM 0 H ASN A 27 16.301 4.356 2.754 1.00 1.00 H new ATOM 0 HA ASN A 27 15.575 2.277 4.730 1.00 1.00 H new ATOM 0 HB2 ASN A 27 16.528 1.709 2.321 1.00 1.00 H new ATOM 0 HB3 ASN A 27 18.059 2.220 3.003 1.00 1.00 H new ATOM 0 HD21 ASN A 27 18.572 -0.567 5.076 1.00 1.00 H new ATOM 0 HD22 ASN A 27 19.057 1.066 4.608 1.00 1.00 H new ATOM 432 N CYS A 28 17.074 4.673 5.506 1.00 1.00 N ATOM 433 CA CYS A 28 17.961 5.401 6.397 1.00 1.00 C ATOM 434 C CYS A 28 17.628 5.004 7.837 1.00 1.00 C ATOM 435 O CYS A 28 16.491 5.157 8.279 1.00 1.00 O ATOM 436 CB CYS A 28 17.860 6.913 6.185 1.00 1.00 C ATOM 437 SG CYS A 28 19.244 7.758 7.034 1.00 1.00 S ATOM 0 H CYS A 28 16.232 5.181 5.234 1.00 1.00 H new ATOM 0 HA CYS A 28 18.996 5.138 6.178 1.00 1.00 H new ATOM 0 HB2 CYS A 28 17.882 7.141 5.119 1.00 1.00 H new ATOM 0 HB3 CYS A 28 16.908 7.280 6.570 1.00 1.00 H new ATOM 442 N ARG A 29 18.641 4.502 8.528 1.00 1.00 N ATOM 443 CA ARG A 29 18.470 4.081 9.908 1.00 1.00 C ATOM 444 C ARG A 29 19.129 5.086 10.854 1.00 1.00 C ATOM 445 O ARG A 29 19.090 4.916 12.072 1.00 1.00 O ATOM 446 CB ARG A 29 19.079 2.697 10.141 1.00 1.00 C ATOM 447 CG ARG A 29 20.605 2.744 10.041 1.00 1.00 C ATOM 448 CD ARG A 29 21.255 2.110 11.272 1.00 1.00 C ATOM 449 NE ARG A 29 20.995 0.653 11.287 1.00 1.00 N ATOM 450 CZ ARG A 29 21.170 -0.136 12.369 1.00 1.00 C ATOM 451 NH1 ARG A 29 21.608 0.386 13.534 1.00 1.00 N ATOM 452 NH2 ARG A 29 20.907 -1.426 12.269 1.00 1.00 N ATOM 0 H ARG A 29 19.583 4.377 8.158 1.00 1.00 H new ATOM 0 HA ARG A 29 17.400 4.033 10.110 1.00 1.00 H new ATOM 0 HB2 ARG A 29 18.787 2.328 11.124 1.00 1.00 H new ATOM 0 HB3 ARG A 29 18.685 1.994 9.407 1.00 1.00 H new ATOM 0 HG2 ARG A 29 20.930 2.219 9.143 1.00 1.00 H new ATOM 0 HG3 ARG A 29 20.935 3.778 9.943 1.00 1.00 H new ATOM 0 HD2 ARG A 29 22.329 2.296 11.263 1.00 1.00 H new ATOM 0 HD3 ARG A 29 20.860 2.568 12.179 1.00 1.00 H new ATOM 0 HE ARG A 29 20.663 0.218 10.426 1.00 1.00 H new ATOM 0 HH11 ARG A 29 21.810 1.384 13.602 1.00 1.00 H new ATOM 0 HH12 ARG A 29 21.737 -0.217 14.346 1.00 1.00 H new ATOM 0 HH21 ARG A 29 20.577 -1.812 11.384 1.00 1.00 H new ATOM 0 HH22 ARG A 29 21.034 -2.036 13.076 1.00 1.00 H new ATOM 465 N ALA A 30 19.720 6.112 10.259 1.00 1.00 N ATOM 466 CA ALA A 30 20.386 7.145 11.034 1.00 1.00 C ATOM 467 C ALA A 30 21.170 6.494 12.176 1.00 1.00 C ATOM 468 O ALA A 30 20.672 6.393 13.296 1.00 1.00 O ATOM 469 CB ALA A 30 19.352 8.154 11.537 1.00 1.00 C ATOM 0 H ALA A 30 19.751 6.250 9.249 1.00 1.00 H new ATOM 0 HA ALA A 30 21.098 7.690 10.414 1.00 1.00 H new ATOM 0 HB1 ALA A 30 19.852 8.929 12.118 1.00 1.00 H new ATOM 0 HB2 ALA A 30 18.844 8.609 10.687 1.00 1.00 H new ATOM 0 HB3 ALA A 30 18.622 7.644 12.165 1.00 1.00 H new ATOM 475 N PRO A 31 22.414 6.058 11.844 1.00 1.00 N ATOM 476 CA PRO A 31 23.271 5.420 12.828 1.00 1.00 C ATOM 477 C PRO A 31 23.853 6.450 13.798 1.00 1.00 C ATOM 478 O PRO A 31 23.894 7.641 13.494 1.00 1.00 O ATOM 479 CB PRO A 31 24.336 4.701 12.016 1.00 1.00 C ATOM 480 CG PRO A 31 24.311 5.341 10.637 1.00 1.00 C ATOM 481 CD PRO A 31 23.036 6.161 10.527 1.00 1.00 C ATOM 0 HA PRO A 31 22.731 4.717 13.463 1.00 1.00 H new ATOM 0 HB2 PRO A 31 25.317 4.807 12.478 1.00 1.00 H new ATOM 0 HB3 PRO A 31 24.126 3.633 11.955 1.00 1.00 H new ATOM 0 HG2 PRO A 31 25.186 5.975 10.494 1.00 1.00 H new ATOM 0 HG3 PRO A 31 24.341 4.576 9.861 1.00 1.00 H new ATOM 0 HD2 PRO A 31 23.253 7.198 10.272 1.00 1.00 H new ATOM 0 HD3 PRO A 31 22.381 5.771 9.748 1.00 1.00 H new ATOM 489 N ARG A 32 24.289 5.953 14.947 1.00 1.00 N ATOM 490 CA ARG A 32 24.867 6.815 15.964 1.00 1.00 C ATOM 491 C ARG A 32 25.381 5.980 17.138 1.00 1.00 C ATOM 492 O ARG A 32 26.578 5.974 17.423 1.00 1.00 O ATOM 493 CB ARG A 32 23.840 7.827 16.477 1.00 1.00 C ATOM 494 CG ARG A 32 24.177 9.241 15.998 1.00 1.00 C ATOM 495 CD ARG A 32 25.363 9.815 16.776 1.00 1.00 C ATOM 496 NE ARG A 32 25.730 11.141 16.232 1.00 1.00 N ATOM 497 CZ ARG A 32 26.279 11.335 15.014 1.00 1.00 C ATOM 498 NH1 ARG A 32 26.530 10.286 14.201 1.00 1.00 N ATOM 499 NH2 ARG A 32 26.567 12.564 14.630 1.00 1.00 N ATOM 0 H ARG A 32 24.253 4.964 15.196 1.00 1.00 H new ATOM 0 HA ARG A 32 25.696 7.356 15.508 1.00 1.00 H new ATOM 0 HB2 ARG A 32 22.845 7.549 16.129 1.00 1.00 H new ATOM 0 HB3 ARG A 32 23.815 7.805 17.566 1.00 1.00 H new ATOM 0 HG2 ARG A 32 24.411 9.222 14.933 1.00 1.00 H new ATOM 0 HG3 ARG A 32 23.308 9.888 16.122 1.00 1.00 H new ATOM 0 HD2 ARG A 32 25.107 9.904 17.832 1.00 1.00 H new ATOM 0 HD3 ARG A 32 26.214 9.137 16.710 1.00 1.00 H new ATOM 0 HE ARG A 32 25.557 11.961 16.814 1.00 1.00 H new ATOM 0 HH11 ARG A 32 26.305 9.339 14.506 1.00 1.00 H new ATOM 0 HH12 ARG A 32 26.945 10.441 13.282 1.00 1.00 H new ATOM 0 HH21 ARG A 32 26.375 13.350 15.250 1.00 1.00 H new ATOM 0 HH22 ARG A 32 26.982 12.728 13.713 1.00 1.00 H new ATOM 512 N LYS A 33 24.451 5.296 17.788 1.00 1.00 N ATOM 513 CA LYS A 33 24.795 4.460 18.925 1.00 1.00 C ATOM 514 C LYS A 33 25.612 5.279 19.927 1.00 1.00 C ATOM 515 O LYS A 33 26.819 5.443 19.762 1.00 1.00 O ATOM 516 CB LYS A 33 25.497 3.183 18.458 1.00 1.00 C ATOM 517 CG LYS A 33 24.489 2.051 18.243 1.00 1.00 C ATOM 518 CD LYS A 33 23.949 1.536 19.578 1.00 1.00 C ATOM 519 CE LYS A 33 24.145 0.024 19.702 1.00 1.00 C ATOM 520 NZ LYS A 33 23.402 -0.684 18.637 1.00 1.00 N ATOM 0 H LYS A 33 23.459 5.304 17.549 1.00 1.00 H new ATOM 0 HA LYS A 33 23.894 4.131 19.442 1.00 1.00 H new ATOM 0 HB2 LYS A 33 26.034 3.378 17.530 1.00 1.00 H new ATOM 0 HB3 LYS A 33 26.238 2.880 19.198 1.00 1.00 H new ATOM 0 HG2 LYS A 33 23.664 2.407 17.626 1.00 1.00 H new ATOM 0 HG3 LYS A 33 24.964 1.234 17.700 1.00 1.00 H new ATOM 0 HD2 LYS A 33 24.458 2.041 20.399 1.00 1.00 H new ATOM 0 HD3 LYS A 33 22.889 1.777 19.663 1.00 1.00 H new ATOM 0 HE2 LYS A 33 25.206 -0.218 19.636 1.00 1.00 H new ATOM 0 HE3 LYS A 33 23.801 -0.314 20.680 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 23.214 -1.662 18.936 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 22.501 -0.196 18.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 23.969 -0.692 17.765 1.00 1.00 H new ATOM 533 N LYS A 34 24.920 5.771 20.944 1.00 1.00 N ATOM 534 CA LYS A 34 25.566 6.569 21.972 1.00 1.00 C ATOM 535 C LYS A 34 26.508 7.577 21.312 1.00 1.00 C ATOM 536 O LYS A 34 26.457 7.779 20.100 1.00 1.00 O ATOM 537 CB LYS A 34 26.252 5.666 22.999 1.00 1.00 C ATOM 538 CG LYS A 34 27.745 5.527 22.695 1.00 1.00 C ATOM 539 CD LYS A 34 28.263 4.149 23.111 1.00 1.00 C ATOM 540 CE LYS A 34 29.547 3.796 22.358 1.00 1.00 C ATOM 541 NZ LYS A 34 30.221 2.642 22.994 1.00 1.00 N ATOM 0 H LYS A 34 23.918 5.632 21.078 1.00 1.00 H new ATOM 0 HA LYS A 34 24.826 7.142 22.531 1.00 1.00 H new ATOM 0 HB2 LYS A 34 26.118 6.079 23.999 1.00 1.00 H new ATOM 0 HB3 LYS A 34 25.783 4.682 22.994 1.00 1.00 H new ATOM 0 HG2 LYS A 34 27.918 5.678 21.630 1.00 1.00 H new ATOM 0 HG3 LYS A 34 28.301 6.303 23.222 1.00 1.00 H new ATOM 0 HD2 LYS A 34 28.451 4.136 24.185 1.00 1.00 H new ATOM 0 HD3 LYS A 34 27.501 3.395 22.912 1.00 1.00 H new ATOM 0 HE2 LYS A 34 29.314 3.561 21.320 1.00 1.00 H new ATOM 0 HE3 LYS A 34 30.217 4.655 22.347 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 30.770 2.123 22.279 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 30.859 2.982 23.741 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 29.508 2.009 23.409 1.00 1.00 H new ATOM 554 N GLY A 35 27.347 8.184 22.139 1.00 1.00 N ATOM 555 CA GLY A 35 28.300 9.167 21.651 1.00 1.00 C ATOM 556 C GLY A 35 29.335 8.516 20.730 1.00 1.00 C ATOM 557 O GLY A 35 29.068 7.479 20.126 1.00 1.00 O ATOM 0 H GLY A 35 27.387 8.014 23.144 1.00 1.00 H new ATOM 0 HA2 GLY A 35 27.773 9.954 21.112 1.00 1.00 H new ATOM 0 HA3 GLY A 35 28.804 9.640 22.494 1.00 1.00 H new ATOM 561 N CYS A 36 30.494 9.153 20.652 1.00 1.00 N ATOM 562 CA CYS A 36 31.570 8.650 19.815 1.00 1.00 C ATOM 563 C CYS A 36 31.898 7.224 20.261 1.00 1.00 C ATOM 564 O CYS A 36 32.327 7.006 21.393 1.00 1.00 O ATOM 565 CB CYS A 36 32.798 9.560 19.865 1.00 1.00 C ATOM 566 SG CYS A 36 34.064 8.969 18.683 1.00 1.00 S ATOM 0 H CYS A 36 30.712 10.013 21.155 1.00 1.00 H new ATOM 0 HA CYS A 36 31.250 8.640 18.773 1.00 1.00 H new ATOM 0 HB2 CYS A 36 32.512 10.584 19.623 1.00 1.00 H new ATOM 0 HB3 CYS A 36 33.209 9.574 20.874 1.00 1.00 H new ATOM 571 N TRP A 37 31.684 6.288 19.348 1.00 1.00 N ATOM 572 CA TRP A 37 31.951 4.889 19.633 1.00 1.00 C ATOM 573 C TRP A 37 33.392 4.588 19.214 1.00 1.00 C ATOM 574 O TRP A 37 33.781 3.426 19.106 1.00 1.00 O ATOM 575 CB TRP A 37 30.927 3.984 18.945 1.00 1.00 C ATOM 576 CG TRP A 37 30.832 2.581 19.548 1.00 1.00 C ATOM 577 CD1 TRP A 37 31.706 1.971 20.361 1.00 1.00 C ATOM 578 CD2 TRP A 37 29.764 1.631 19.351 1.00 1.00 C ATOM 579 NE1 TRP A 37 31.280 0.704 20.702 1.00 1.00 N ATOM 580 CE2 TRP A 37 30.062 0.490 20.068 1.00 1.00 C ATOM 581 CE3 TRP A 37 28.584 1.732 18.593 1.00 1.00 C ATOM 582 CZ2 TRP A 37 29.230 -0.636 20.098 1.00 1.00 C ATOM 583 CZ3 TRP A 37 27.764 0.599 18.632 1.00 1.00 C ATOM 584 CH2 TRP A 37 28.050 -0.558 19.349 1.00 1.00 C ATOM 0 H TRP A 37 31.328 6.472 18.410 1.00 1.00 H new ATOM 0 HA TRP A 37 31.849 4.686 20.699 1.00 1.00 H new ATOM 0 HB2 TRP A 37 29.947 4.457 18.996 1.00 1.00 H new ATOM 0 HB3 TRP A 37 31.185 3.898 17.889 1.00 1.00 H new ATOM 0 HD1 TRP A 37 32.628 2.416 20.706 1.00 1.00 H new ATOM 0 HE1 TRP A 37 31.769 0.045 21.308 1.00 1.00 H new ATOM 0 HE3 TRP A 37 28.330 2.615 18.025 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 29.485 -1.517 20.668 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 26.845 0.625 18.066 1.00 1.00 H new ATOM 0 HH2 TRP A 37 27.365 -1.392 19.328 1.00 1.00 H new ATOM 595 N LYS A 38 34.144 5.655 18.989 1.00 1.00 N ATOM 596 CA LYS A 38 35.533 5.520 18.584 1.00 1.00 C ATOM 597 C LYS A 38 36.440 5.843 19.774 1.00 1.00 C ATOM 598 O LYS A 38 37.414 5.135 20.025 1.00 1.00 O ATOM 599 CB LYS A 38 35.816 6.374 17.346 1.00 1.00 C ATOM 600 CG LYS A 38 37.094 5.913 16.643 1.00 1.00 C ATOM 601 CD LYS A 38 37.210 6.538 15.251 1.00 1.00 C ATOM 602 CE LYS A 38 37.108 5.470 14.160 1.00 1.00 C ATOM 603 NZ LYS A 38 38.340 4.651 14.120 1.00 1.00 N ATOM 0 H LYS A 38 33.818 6.617 19.079 1.00 1.00 H new ATOM 0 HA LYS A 38 35.746 4.492 18.289 1.00 1.00 H new ATOM 0 HB2 LYS A 38 34.974 6.311 16.656 1.00 1.00 H new ATOM 0 HB3 LYS A 38 35.913 7.420 17.636 1.00 1.00 H new ATOM 0 HG2 LYS A 38 37.962 6.187 17.242 1.00 1.00 H new ATOM 0 HG3 LYS A 38 37.095 4.826 16.559 1.00 1.00 H new ATOM 0 HD2 LYS A 38 36.422 7.279 15.114 1.00 1.00 H new ATOM 0 HD3 LYS A 38 38.161 7.064 15.163 1.00 1.00 H new ATOM 0 HE2 LYS A 38 36.245 4.831 14.348 1.00 1.00 H new ATOM 0 HE3 LYS A 38 36.948 5.945 13.192 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 38.297 3.999 13.311 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 39.167 5.273 14.020 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 38.422 4.104 15.001 1.00 1.00 H new ATOM 616 N CYS A 39 36.087 6.911 20.473 1.00 1.00 N ATOM 617 CA CYS A 39 36.857 7.335 21.630 1.00 1.00 C ATOM 618 C CYS A 39 36.042 7.029 22.888 1.00 1.00 C ATOM 619 O CYS A 39 36.601 6.880 23.974 1.00 1.00 O ATOM 620 CB CYS A 39 37.238 8.815 21.544 1.00 1.00 C ATOM 621 SG CYS A 39 35.743 9.832 21.267 1.00 1.00 S ATOM 0 H CYS A 39 35.278 7.495 20.261 1.00 1.00 H new ATOM 0 HA CYS A 39 37.798 6.786 21.665 1.00 1.00 H new ATOM 0 HB2 CYS A 39 37.733 9.125 22.464 1.00 1.00 H new ATOM 0 HB3 CYS A 39 37.948 8.969 20.732 1.00 1.00 H new ATOM 626 N GLY A 40 34.733 6.944 22.701 1.00 1.00 N ATOM 627 CA GLY A 40 33.835 6.659 23.807 1.00 1.00 C ATOM 628 C GLY A 40 33.390 7.948 24.499 1.00 1.00 C ATOM 629 O GLY A 40 32.736 7.905 25.540 1.00 1.00 O ATOM 0 H GLY A 40 34.273 7.068 21.799 1.00 1.00 H new ATOM 0 HA2 GLY A 40 32.962 6.119 23.441 1.00 1.00 H new ATOM 0 HA3 GLY A 40 34.333 6.009 24.526 1.00 1.00 H new ATOM 633 N LYS A 41 33.761 9.066 23.893 1.00 1.00 N ATOM 634 CA LYS A 41 33.408 10.366 24.437 1.00 1.00 C ATOM 635 C LYS A 41 32.171 10.899 23.711 1.00 1.00 C ATOM 636 O LYS A 41 31.992 10.653 22.520 1.00 1.00 O ATOM 637 CB LYS A 41 34.608 11.314 24.385 1.00 1.00 C ATOM 638 CG LYS A 41 35.674 10.905 25.404 1.00 1.00 C ATOM 639 CD LYS A 41 35.693 11.868 26.593 1.00 1.00 C ATOM 640 CE LYS A 41 35.068 11.223 27.831 1.00 1.00 C ATOM 641 NZ LYS A 41 34.594 12.261 28.773 1.00 1.00 N ATOM 0 H LYS A 41 34.303 9.098 23.030 1.00 1.00 H new ATOM 0 HA LYS A 41 33.147 10.279 25.492 1.00 1.00 H new ATOM 0 HB2 LYS A 41 35.037 11.309 23.383 1.00 1.00 H new ATOM 0 HB3 LYS A 41 34.280 12.334 24.586 1.00 1.00 H new ATOM 0 HG2 LYS A 41 35.477 9.892 25.755 1.00 1.00 H new ATOM 0 HG3 LYS A 41 36.653 10.892 24.926 1.00 1.00 H new ATOM 0 HD2 LYS A 41 36.720 12.162 26.811 1.00 1.00 H new ATOM 0 HD3 LYS A 41 35.148 12.777 26.338 1.00 1.00 H new ATOM 0 HE2 LYS A 41 34.235 10.585 27.535 1.00 1.00 H new ATOM 0 HE3 LYS A 41 35.800 10.583 28.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 34.173 11.806 29.608 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 35.396 12.853 29.069 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 33.880 12.855 28.305 1.00 1.00 H new ATOM 654 N GLU A 42 31.350 11.621 24.460 1.00 1.00 N ATOM 655 CA GLU A 42 30.135 12.191 23.902 1.00 1.00 C ATOM 656 C GLU A 42 30.374 13.644 23.486 1.00 1.00 C ATOM 657 O GLU A 42 31.336 14.270 23.928 1.00 1.00 O ATOM 658 CB GLU A 42 28.975 12.088 24.895 1.00 1.00 C ATOM 659 CG GLU A 42 29.128 13.108 26.024 1.00 1.00 C ATOM 660 CD GLU A 42 29.212 12.411 27.384 1.00 1.00 C ATOM 661 OE1 GLU A 42 30.166 11.661 27.639 1.00 1.00 O ATOM 662 OE2 GLU A 42 28.241 12.674 28.192 1.00 1.00 O ATOM 0 H GLU A 42 31.502 11.824 25.448 1.00 1.00 H new ATOM 0 HA GLU A 42 29.862 11.620 23.015 1.00 1.00 H new ATOM 0 HB2 GLU A 42 28.031 12.254 24.376 1.00 1.00 H new ATOM 0 HB3 GLU A 42 28.937 11.082 25.312 1.00 1.00 H new ATOM 0 HG2 GLU A 42 30.026 13.705 25.861 1.00 1.00 H new ATOM 0 HG3 GLU A 42 28.282 13.796 26.015 1.00 1.00 H new ATOM 670 N GLY A 43 29.480 14.138 22.641 1.00 1.00 N ATOM 671 CA GLY A 43 29.581 15.506 22.161 1.00 1.00 C ATOM 672 C GLY A 43 29.989 15.540 20.686 1.00 1.00 C ATOM 673 O GLY A 43 29.641 16.473 19.964 1.00 1.00 O ATOM 0 H GLY A 43 28.683 13.616 22.277 1.00 1.00 H new ATOM 0 HA2 GLY A 43 28.624 16.012 22.289 1.00 1.00 H new ATOM 0 HA3 GLY A 43 30.312 16.052 22.757 1.00 1.00 H new ATOM 677 N HIS A 44 30.720 14.511 20.284 1.00 1.00 N ATOM 678 CA HIS A 44 31.179 14.412 18.908 1.00 1.00 C ATOM 679 C HIS A 44 30.945 12.991 18.391 1.00 1.00 C ATOM 680 O HIS A 44 30.070 12.283 18.885 1.00 1.00 O ATOM 681 CB HIS A 44 32.639 14.854 18.789 1.00 1.00 C ATOM 682 CG HIS A 44 33.631 13.844 19.313 1.00 1.00 C ATOM 683 ND1 HIS A 44 34.044 13.814 20.634 1.00 1.00 N ATOM 684 CD2 HIS A 44 34.287 12.829 18.681 1.00 1.00 C ATOM 685 CE1 HIS A 44 34.910 12.822 20.779 1.00 1.00 C ATOM 686 NE2 HIS A 44 35.060 12.213 19.567 1.00 1.00 N ATOM 0 H HIS A 44 31.006 13.739 20.886 1.00 1.00 H new ATOM 0 HA HIS A 44 30.603 15.090 18.278 1.00 1.00 H new ATOM 0 HB2 HIS A 44 32.862 15.057 17.742 1.00 1.00 H new ATOM 0 HB3 HIS A 44 32.770 15.791 19.331 1.00 1.00 H new ATOM 0 HD1 HIS A 44 33.734 14.448 21.371 1.00 1.00 H new ATOM 0 HD2 HIS A 44 34.193 12.570 17.637 1.00 1.00 H new ATOM 0 HE1 HIS A 44 35.409 12.544 21.695 1.00 1.00 H new ATOM 694 N GLN A 45 31.744 12.618 17.402 1.00 1.00 N ATOM 695 CA GLN A 45 31.636 11.294 16.812 1.00 1.00 C ATOM 696 C GLN A 45 32.646 11.136 15.674 1.00 1.00 C ATOM 697 O GLN A 45 33.438 12.040 15.412 1.00 1.00 O ATOM 698 CB GLN A 45 30.212 11.027 16.323 1.00 1.00 C ATOM 699 CG GLN A 45 29.615 12.273 15.666 1.00 1.00 C ATOM 700 CD GLN A 45 28.596 12.945 16.589 1.00 1.00 C ATOM 701 OE1 GLN A 45 27.732 12.309 17.170 1.00 1.00 O ATOM 702 NE2 GLN A 45 28.744 14.262 16.690 1.00 1.00 N ATOM 0 H GLN A 45 32.469 13.209 16.994 1.00 1.00 H new ATOM 0 HA GLN A 45 31.866 10.555 17.580 1.00 1.00 H new ATOM 0 HB2 GLN A 45 30.217 10.203 15.610 1.00 1.00 H new ATOM 0 HB3 GLN A 45 29.587 10.719 17.162 1.00 1.00 H new ATOM 0 HG2 GLN A 45 30.411 12.977 15.423 1.00 1.00 H new ATOM 0 HG3 GLN A 45 29.135 11.999 14.727 1.00 1.00 H new ATOM 0 HE21 GLN A 45 29.489 14.732 16.176 1.00 1.00 H new ATOM 0 HE22 GLN A 45 28.113 14.802 17.281 1.00 1.00 H new ATOM 711 N MET A 46 32.584 9.982 15.026 1.00 1.00 N ATOM 712 CA MET A 46 33.483 9.694 13.922 1.00 1.00 C ATOM 713 C MET A 46 33.483 10.836 12.903 1.00 1.00 C ATOM 714 O MET A 46 34.534 11.210 12.385 1.00 1.00 O ATOM 715 CB MET A 46 33.049 8.398 13.234 1.00 1.00 C ATOM 716 CG MET A 46 33.849 8.163 11.952 1.00 1.00 C ATOM 717 SD MET A 46 34.460 6.486 11.912 1.00 1.00 S ATOM 718 CE MET A 46 32.961 5.620 11.477 1.00 1.00 C ATOM 0 H MET A 46 31.925 9.235 15.245 1.00 1.00 H new ATOM 0 HA MET A 46 34.492 9.585 14.319 1.00 1.00 H new ATOM 0 HB2 MET A 46 33.189 7.557 13.913 1.00 1.00 H new ATOM 0 HB3 MET A 46 31.986 8.445 13.000 1.00 1.00 H new ATOM 0 HG2 MET A 46 33.220 8.350 11.082 1.00 1.00 H new ATOM 0 HG3 MET A 46 34.682 8.864 11.900 1.00 1.00 H new ATOM 0 HE1 MET A 46 33.165 4.551 11.409 1.00 1.00 H new ATOM 0 HE2 MET A 46 32.204 5.797 12.241 1.00 1.00 H new ATOM 0 HE3 MET A 46 32.598 5.982 10.515 1.00 1.00 H new ATOM 728 N LYS A 47 32.293 11.359 12.648 1.00 1.00 N ATOM 729 CA LYS A 47 32.143 12.451 11.701 1.00 1.00 C ATOM 730 C LYS A 47 33.302 13.434 11.875 1.00 1.00 C ATOM 731 O LYS A 47 33.717 14.085 10.917 1.00 1.00 O ATOM 732 CB LYS A 47 30.763 13.096 11.842 1.00 1.00 C ATOM 733 CG LYS A 47 30.508 14.097 10.713 1.00 1.00 C ATOM 734 CD LYS A 47 30.742 15.532 11.190 1.00 1.00 C ATOM 735 CE LYS A 47 29.539 16.051 11.980 1.00 1.00 C ATOM 736 NZ LYS A 47 29.795 15.956 13.435 1.00 1.00 N ATOM 0 H LYS A 47 31.424 11.047 13.081 1.00 1.00 H new ATOM 0 HA LYS A 47 32.192 12.078 10.678 1.00 1.00 H new ATOM 0 HB2 LYS A 47 29.994 12.324 11.829 1.00 1.00 H new ATOM 0 HB3 LYS A 47 30.691 13.602 12.805 1.00 1.00 H new ATOM 0 HG2 LYS A 47 31.166 13.878 9.872 1.00 1.00 H new ATOM 0 HG3 LYS A 47 29.485 13.992 10.353 1.00 1.00 H new ATOM 0 HD2 LYS A 47 31.635 15.570 11.814 1.00 1.00 H new ATOM 0 HD3 LYS A 47 30.924 16.179 10.332 1.00 1.00 H new ATOM 0 HE2 LYS A 47 29.337 17.087 11.707 1.00 1.00 H new ATOM 0 HE3 LYS A 47 28.651 15.474 11.722 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 29.661 16.890 13.873 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 29.133 15.276 13.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 30.771 15.635 13.596 1.00 1.00 H new ATOM 749 N ASP A 48 33.792 13.510 13.103 1.00 1.00 N ATOM 750 CA ASP A 48 34.896 14.403 13.415 1.00 1.00 C ATOM 751 C ASP A 48 35.626 13.889 14.657 1.00 1.00 C ATOM 752 O ASP A 48 36.028 14.674 15.514 1.00 1.00 O ATOM 753 CB ASP A 48 34.393 15.817 13.713 1.00 1.00 C ATOM 754 CG ASP A 48 34.160 16.694 12.481 1.00 1.00 C ATOM 755 OD1 ASP A 48 34.780 16.492 11.427 1.00 1.00 O ATOM 756 OD2 ASP A 48 33.286 17.631 12.636 1.00 1.00 O ATOM 0 H ASP A 48 33.445 12.968 13.894 1.00 1.00 H new ATOM 0 HA ASP A 48 35.561 14.431 12.552 1.00 1.00 H new ATOM 0 HB2 ASP A 48 33.459 15.744 14.270 1.00 1.00 H new ATOM 0 HB3 ASP A 48 35.114 16.313 14.363 1.00 1.00 H new ATOM 762 N CYS A 49 35.778 12.574 14.714 1.00 1.00 N ATOM 763 CA CYS A 49 36.453 11.946 15.837 1.00 1.00 C ATOM 764 C CYS A 49 37.955 12.206 15.700 1.00 1.00 C ATOM 765 O CYS A 49 38.425 13.309 15.977 1.00 1.00 O ATOM 766 CB CYS A 49 36.138 10.451 15.922 1.00 1.00 C ATOM 767 SG CYS A 49 37.148 9.674 17.236 1.00 1.00 S ATOM 0 H CYS A 49 35.445 11.926 14.000 1.00 1.00 H new ATOM 0 HA CYS A 49 36.093 12.380 16.770 1.00 1.00 H new ATOM 0 HB2 CYS A 49 35.078 10.305 16.132 1.00 1.00 H new ATOM 0 HB3 CYS A 49 36.342 9.973 14.964 1.00 1.00 H new ATOM 772 N THR A 50 38.665 11.173 15.273 1.00 1.00 N ATOM 773 CA THR A 50 40.104 11.276 15.096 1.00 1.00 C ATOM 774 C THR A 50 40.762 11.799 16.374 1.00 1.00 C ATOM 775 O THR A 50 41.893 12.283 16.342 1.00 1.00 O ATOM 776 CB THR A 50 40.368 12.156 13.873 1.00 1.00 C ATOM 777 OG1 THR A 50 40.173 13.484 14.351 1.00 1.00 O ATOM 778 CG2 THR A 50 39.300 11.989 12.790 1.00 1.00 C ATOM 0 H THR A 50 38.271 10.260 15.044 1.00 1.00 H new ATOM 0 HA THR A 50 40.551 10.299 14.914 1.00 1.00 H new ATOM 0 HB THR A 50 41.347 11.915 13.458 1.00 1.00 H new ATOM 0 HG1 THR A 50 39.821 13.454 15.265 1.00 1.00 H new ATOM 0 HG21 THR A 50 39.535 12.636 11.945 1.00 1.00 H new ATOM 0 HG22 THR A 50 39.278 10.951 12.458 1.00 1.00 H new ATOM 0 HG23 THR A 50 38.325 12.261 13.195 1.00 1.00 H new ATOM 786 N GLU A 51 40.026 11.685 17.470 1.00 1.00 N ATOM 787 CA GLU A 51 40.524 12.141 18.757 1.00 1.00 C ATOM 788 C GLU A 51 40.790 13.647 18.720 1.00 1.00 C ATOM 789 O GLU A 51 41.214 14.182 17.696 1.00 1.00 O ATOM 790 CB GLU A 51 41.783 11.372 19.161 1.00 1.00 C ATOM 791 CG GLU A 51 41.909 11.286 20.684 1.00 1.00 C ATOM 792 CD GLU A 51 43.377 11.293 21.114 1.00 1.00 C ATOM 793 OE1 GLU A 51 44.268 11.064 20.283 1.00 1.00 O ATOM 794 OE2 GLU A 51 43.578 11.550 22.362 1.00 1.00 O ATOM 0 H GLU A 51 39.089 11.283 17.493 1.00 1.00 H new ATOM 0 HA GLU A 51 39.761 11.945 19.510 1.00 1.00 H new ATOM 0 HB2 GLU A 51 41.751 10.368 18.738 1.00 1.00 H new ATOM 0 HB3 GLU A 51 42.663 11.865 18.747 1.00 1.00 H new ATOM 0 HG2 GLU A 51 41.388 12.126 21.144 1.00 1.00 H new ATOM 0 HG3 GLU A 51 41.426 10.377 21.042 1.00 1.00 H new ATOM 802 N ARG A 52 40.529 14.290 19.849 1.00 1.00 N ATOM 803 CA ARG A 52 40.735 15.724 19.959 1.00 1.00 C ATOM 804 C ARG A 52 42.008 16.136 19.217 1.00 1.00 C ATOM 805 O ARG A 52 41.943 16.818 18.196 1.00 1.00 O ATOM 806 CB ARG A 52 40.844 16.154 21.423 1.00 1.00 C ATOM 807 CG ARG A 52 39.459 16.359 22.039 1.00 1.00 C ATOM 808 CD ARG A 52 39.478 16.064 23.541 1.00 1.00 C ATOM 809 NE ARG A 52 38.533 16.960 24.244 1.00 1.00 N ATOM 810 CZ ARG A 52 38.030 16.715 25.472 1.00 1.00 C ATOM 811 NH1 ARG A 52 38.376 15.597 26.145 1.00 1.00 N ATOM 812 NH2 ARG A 52 37.193 17.585 26.006 1.00 1.00 N ATOM 0 H ARG A 52 40.177 13.844 20.696 1.00 1.00 H new ATOM 0 HA ARG A 52 39.873 16.218 19.510 1.00 1.00 H new ATOM 0 HB2 ARG A 52 41.389 15.398 21.988 1.00 1.00 H new ATOM 0 HB3 ARG A 52 41.417 17.078 21.492 1.00 1.00 H new ATOM 0 HG2 ARG A 52 39.130 17.384 21.870 1.00 1.00 H new ATOM 0 HG3 ARG A 52 38.738 15.708 21.546 1.00 1.00 H new ATOM 0 HD2 ARG A 52 39.207 15.023 23.719 1.00 1.00 H new ATOM 0 HD3 ARG A 52 40.485 16.203 23.935 1.00 1.00 H new ATOM 0 HE ARG A 52 38.244 17.816 23.771 1.00 1.00 H new ATOM 0 HH11 ARG A 52 39.023 14.929 25.726 1.00 1.00 H new ATOM 0 HH12 ARG A 52 37.991 15.420 27.073 1.00 1.00 H new ATOM 0 HH21 ARG A 52 36.936 18.427 25.491 1.00 1.00 H new ATOM 0 HH22 ARG A 52 36.804 17.415 26.933 1.00 1.00 H new ATOM 825 N GLN A 53 43.137 15.704 19.760 1.00 1.00 N ATOM 826 CA GLN A 53 44.424 16.019 19.162 1.00 1.00 C ATOM 827 C GLN A 53 44.635 15.194 17.891 1.00 1.00 C ATOM 828 O GLN A 53 43.969 14.180 17.688 1.00 1.00 O ATOM 829 CB GLN A 53 45.562 15.792 20.159 1.00 1.00 C ATOM 830 CG GLN A 53 46.083 17.122 20.708 1.00 1.00 C ATOM 831 CD GLN A 53 45.359 17.504 22.000 1.00 1.00 C ATOM 832 OE1 GLN A 53 45.014 16.668 22.819 1.00 1.00 O ATOM 833 NE2 GLN A 53 45.148 18.810 22.137 1.00 1.00 N ATOM 0 H GLN A 53 43.187 15.139 20.607 1.00 1.00 H new ATOM 0 HA GLN A 53 44.428 17.075 18.891 1.00 1.00 H new ATOM 0 HB2 GLN A 53 45.211 15.168 20.981 1.00 1.00 H new ATOM 0 HB3 GLN A 53 46.374 15.252 19.673 1.00 1.00 H new ATOM 0 HG2 GLN A 53 47.154 17.047 20.896 1.00 1.00 H new ATOM 0 HG3 GLN A 53 45.944 17.906 19.964 1.00 1.00 H new ATOM 0 HE21 GLN A 53 45.463 19.456 21.413 1.00 1.00 H new ATOM 0 HE22 GLN A 53 44.671 19.165 22.966 1.00 1.00 H new ATOM 842 N ALA A 54 45.564 15.659 17.070 1.00 1.00 N ATOM 843 CA ALA A 54 45.872 14.977 15.824 1.00 1.00 C ATOM 844 C ALA A 54 47.357 15.154 15.504 1.00 1.00 C ATOM 845 O ALA A 54 47.965 16.151 15.891 1.00 1.00 O ATOM 846 CB ALA A 54 44.968 15.511 14.712 1.00 1.00 C ATOM 0 H ALA A 54 46.114 16.500 17.243 1.00 1.00 H new ATOM 0 HA ALA A 54 45.680 13.908 15.914 1.00 1.00 H new ATOM 0 HB1 ALA A 54 45.199 14.999 13.778 1.00 1.00 H new ATOM 0 HB2 ALA A 54 43.925 15.334 14.974 1.00 1.00 H new ATOM 0 HB3 ALA A 54 45.134 16.581 14.590 1.00 1.00 H new ATOM 852 N ASN A 55 47.900 14.172 14.800 1.00 1.00 N ATOM 853 CA ASN A 55 49.302 14.207 14.423 1.00 1.00 C ATOM 854 C ASN A 55 49.607 13.027 13.497 1.00 1.00 C ATOM 855 O ASN A 55 50.747 12.572 13.420 1.00 1.00 O ATOM 856 CB ASN A 55 50.206 14.088 15.651 1.00 1.00 C ATOM 857 CG ASN A 55 50.966 15.392 15.901 1.00 1.00 C ATOM 858 OD1 ASN A 55 51.656 15.913 15.040 1.00 1.00 O ATOM 859 ND2 ASN A 55 50.801 15.889 17.124 1.00 1.00 N ATOM 0 H ASN A 55 47.393 13.346 14.481 1.00 1.00 H new ATOM 0 HA ASN A 55 49.493 15.158 13.925 1.00 1.00 H new ATOM 0 HB2 ASN A 55 49.606 13.839 16.526 1.00 1.00 H new ATOM 0 HB3 ASN A 55 50.914 13.272 15.508 1.00 1.00 H new ATOM 0 HD21 ASN A 55 51.266 16.757 17.389 1.00 1.00 H new ATOM 0 HD22 ASN A 55 50.209 15.402 17.797 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 20.832 7.288 5.434 1.00 1.00 ZN HETATM 868 ZN ZN A 57 35.874 10.431 18.998 1.00 1.00 ZN