USER MOD reduce.3.24.130724 H: found=0, std=0, add=445, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 445 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 Single : A 1 MET CE :methyl 150:sc= -0.468 (180deg=-1.78!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.678 X(o=-0.68,f=-0.67) USER MOD Single : A 8 ASN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 9 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.29) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -119:sc= 0.101 (180deg=-2.15!) USER MOD Single : A 17 ASN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.0092) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -161:sc= -0.281 (180deg=-0.621) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -1.16 K(o=-1.2,f=-4.8!) USER MOD Single : A 46 MET CE :methyl -156:sc= -3.88 (180deg=-5.65!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -84:sc= 0.114 USER MOD Single : A 53 GLN : amide:sc= -1.04 K(o=-1,f=-4.5!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.537 -12.642 -6.835 1.00 0.00 N ATOM 2 CA MET A 1 -24.318 -11.912 -7.850 1.00 0.00 C ATOM 3 C MET A 1 -25.716 -11.632 -7.321 1.00 0.00 C ATOM 4 O MET A 1 -26.136 -10.480 -7.206 1.00 0.00 O ATOM 5 CB MET A 1 -24.337 -12.684 -9.163 1.00 0.00 C ATOM 6 CG MET A 1 -24.095 -11.766 -10.334 1.00 0.00 C ATOM 7 SD MET A 1 -24.145 -12.789 -11.850 1.00 0.00 S ATOM 8 CE MET A 1 -25.827 -13.426 -11.735 1.00 0.00 C ATOM 0 H1 MET A 1 -22.582 -12.831 -7.201 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.469 -12.068 -5.970 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.008 -13.543 -6.616 1.00 0.00 H new ATOM 0 HA MET A 1 -23.846 -10.951 -8.055 1.00 0.00 H new ATOM 0 HB2 MET A 1 -23.574 -13.462 -9.143 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.298 -13.184 -9.281 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.854 -10.985 -10.373 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.130 -11.268 -10.238 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.219 -13.601 -12.737 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.824 -14.363 -11.178 1.00 0.00 H new ATOM 0 HE3 MET A 1 -26.457 -12.700 -11.221 1.00 0.00 H new ATOM 20 N GLN A 2 -26.480 -12.703 -7.124 1.00 0.00 N ATOM 21 CA GLN A 2 -27.895 -12.580 -6.796 1.00 0.00 C ATOM 22 C GLN A 2 -28.067 -12.118 -5.353 1.00 0.00 C ATOM 23 O GLN A 2 -27.105 -12.065 -4.586 1.00 0.00 O ATOM 24 CB GLN A 2 -28.676 -13.870 -7.059 1.00 0.00 C ATOM 25 CG GLN A 2 -29.713 -13.742 -8.158 1.00 0.00 C ATOM 26 CD GLN A 2 -30.915 -14.629 -7.942 1.00 0.00 C ATOM 27 OE1 GLN A 2 -31.939 -14.218 -7.403 1.00 0.00 O ATOM 28 NE2 GLN A 2 -30.749 -15.902 -8.296 1.00 0.00 N ATOM 0 H GLN A 2 -26.143 -13.664 -7.186 1.00 0.00 H new ATOM 0 HA GLN A 2 -28.315 -11.825 -7.461 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -27.975 -14.661 -7.324 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -29.171 -14.178 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -30.041 -12.704 -8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -29.253 -13.990 -9.115 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -29.881 -16.198 -8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -31.490 -16.581 -8.122 1.00 0.00 H new ATOM 37 N ARG A 3 -29.256 -11.600 -5.060 1.00 0.00 N ATOM 38 CA ARG A 3 -29.501 -10.928 -3.789 1.00 0.00 C ATOM 39 C ARG A 3 -29.314 -11.902 -2.631 1.00 0.00 C ATOM 40 O ARG A 3 -30.263 -12.553 -2.191 1.00 0.00 O ATOM 41 CB ARG A 3 -30.902 -10.308 -3.738 1.00 0.00 C ATOM 42 CG ARG A 3 -30.932 -8.795 -3.909 1.00 0.00 C ATOM 43 CD ARG A 3 -30.249 -8.370 -5.164 1.00 0.00 C ATOM 44 NE ARG A 3 -31.021 -8.710 -6.351 1.00 0.00 N ATOM 45 CZ ARG A 3 -30.547 -8.586 -7.592 1.00 0.00 C ATOM 46 NH1 ARG A 3 -29.264 -8.325 -7.824 1.00 0.00 N ATOM 47 NH2 ARG A 3 -31.369 -8.778 -8.625 1.00 0.00 N ATOM 0 H ARG A 3 -30.062 -11.633 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 3 -28.776 -10.119 -3.697 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -31.514 -10.761 -4.518 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -31.363 -10.562 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -31.966 -8.450 -3.922 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -30.449 -8.322 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -30.081 -7.293 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -29.269 -8.844 -5.221 1.00 0.00 H new ATOM 0 HE ARG A 3 -31.971 -9.060 -6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -28.617 -8.215 -7.043 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -28.927 -8.235 -8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -32.347 -9.017 -8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -31.019 -8.686 -9.579 1.00 0.00 H new ATOM 61 N GLY A 4 -28.132 -11.847 -2.024 1.00 0.00 N ATOM 62 CA GLY A 4 -27.889 -12.540 -0.765 1.00 0.00 C ATOM 63 C GLY A 4 -27.187 -11.615 0.223 1.00 0.00 C ATOM 64 O GLY A 4 -26.124 -11.945 0.751 1.00 0.00 O ATOM 0 H GLY A 4 -27.329 -11.330 -2.384 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.834 -12.884 -0.343 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.278 -13.425 -0.942 1.00 0.00 H new ATOM 68 N ASN A 5 -27.672 -10.378 0.289 1.00 0.00 N ATOM 69 CA ASN A 5 -26.963 -9.317 0.994 1.00 0.00 C ATOM 70 C ASN A 5 -26.825 -9.663 2.472 1.00 0.00 C ATOM 71 O ASN A 5 -27.740 -9.444 3.265 1.00 0.00 O ATOM 72 CB ASN A 5 -27.587 -7.950 0.725 1.00 0.00 C ATOM 73 CG ASN A 5 -28.950 -7.776 1.368 1.00 0.00 C ATOM 74 OD1 ASN A 5 -29.071 -7.179 2.448 1.00 0.00 O ATOM 75 ND2 ASN A 5 -29.987 -8.281 0.700 1.00 0.00 N ATOM 0 H ASN A 5 -28.552 -10.087 -0.137 1.00 0.00 H new ATOM 0 HA ASN A 5 -25.948 -9.242 0.603 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -26.917 -7.173 1.094 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -27.680 -7.806 -0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -30.931 -8.184 1.074 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -29.837 -8.764 -0.186 1.00 0.00 H new ATOM 82 N PHE A 6 -25.587 -9.962 2.866 1.00 0.00 N ATOM 83 CA PHE A 6 -25.296 -10.295 4.254 1.00 0.00 C ATOM 84 C PHE A 6 -24.340 -9.273 4.857 1.00 0.00 C ATOM 85 O PHE A 6 -24.488 -8.866 6.009 1.00 0.00 O ATOM 86 CB PHE A 6 -24.697 -11.714 4.437 1.00 0.00 C ATOM 87 CG PHE A 6 -24.633 -12.125 5.880 1.00 0.00 C ATOM 88 CD1 PHE A 6 -23.796 -11.515 6.814 1.00 0.00 C ATOM 89 CD2 PHE A 6 -25.434 -13.200 6.275 1.00 0.00 C ATOM 90 CE1 PHE A 6 -23.803 -11.928 8.151 1.00 0.00 C ATOM 91 CE2 PHE A 6 -25.456 -13.625 7.594 1.00 0.00 C ATOM 92 CZ PHE A 6 -24.665 -12.968 8.539 1.00 0.00 C ATOM 0 H PHE A 6 -24.777 -9.980 2.246 1.00 0.00 H new ATOM 0 HA PHE A 6 -26.255 -10.277 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -25.299 -12.434 3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -23.695 -11.741 4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -23.137 -10.718 6.503 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -26.044 -13.707 5.542 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -23.155 -11.454 8.874 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -26.079 -14.457 7.888 1.00 0.00 H new ATOM 0 HZ PHE A 6 -24.716 -13.262 9.577 1.00 0.00 H new ATOM 102 N ARG A 7 -23.222 -9.068 4.161 1.00 0.00 N ATOM 103 CA ARG A 7 -22.201 -8.141 4.626 1.00 0.00 C ATOM 104 C ARG A 7 -21.610 -8.619 5.948 1.00 0.00 C ATOM 105 O ARG A 7 -22.151 -8.340 7.019 1.00 0.00 O ATOM 106 CB ARG A 7 -22.756 -6.719 4.789 1.00 0.00 C ATOM 107 CG ARG A 7 -22.568 -5.822 3.575 1.00 0.00 C ATOM 108 CD ARG A 7 -21.127 -5.652 3.233 1.00 0.00 C ATOM 109 NE ARG A 7 -20.878 -5.814 1.808 1.00 0.00 N ATOM 110 CZ ARG A 7 -19.747 -6.325 1.316 1.00 0.00 C ATOM 111 NH1 ARG A 7 -18.687 -6.539 2.089 1.00 0.00 N ATOM 112 NH2 ARG A 7 -19.661 -6.574 0.009 1.00 0.00 N ATOM 0 H ARG A 7 -23.005 -9.531 3.278 1.00 0.00 H new ATOM 0 HA ARG A 7 -21.418 -8.113 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -23.820 -6.782 5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -22.274 -6.251 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -23.097 -6.248 2.722 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -23.013 -4.846 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -20.795 -4.663 3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -20.535 -6.379 3.789 1.00 0.00 H new ATOM 0 HE ARG A 7 -21.604 -5.523 1.153 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -18.726 -6.312 3.083 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -17.835 -6.931 1.689 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -20.453 -6.374 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -18.803 -6.964 -0.380 1.00 0.00 H new ATOM 126 N ASN A 8 -20.630 -9.512 5.844 1.00 0.00 N ATOM 127 CA ASN A 8 -20.121 -10.224 7.009 1.00 0.00 C ATOM 128 C ASN A 8 -18.755 -9.677 7.410 1.00 0.00 C ATOM 129 O ASN A 8 -18.047 -9.085 6.595 1.00 0.00 O ATOM 130 CB ASN A 8 -20.153 -11.736 6.802 1.00 0.00 C ATOM 131 CG ASN A 8 -19.642 -12.167 5.440 1.00 0.00 C ATOM 132 OD1 ASN A 8 -18.436 -12.387 5.256 1.00 0.00 O ATOM 133 ND2 ASN A 8 -20.557 -12.298 4.480 1.00 0.00 N ATOM 0 H ASN A 8 -20.174 -9.759 4.966 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.783 -10.044 7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -19.552 -12.214 7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -21.176 -12.091 6.928 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.276 -12.591 3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -21.538 -12.105 4.681 1.00 0.00 H new ATOM 140 N GLN A 9 -18.314 -10.068 8.603 1.00 0.00 N ATOM 141 CA GLN A 9 -16.944 -9.813 9.029 1.00 0.00 C ATOM 142 C GLN A 9 -16.651 -10.539 10.338 1.00 0.00 C ATOM 143 O GLN A 9 -17.111 -10.128 11.404 1.00 0.00 O ATOM 144 CB GLN A 9 -16.630 -8.320 9.144 1.00 0.00 C ATOM 145 CG GLN A 9 -15.155 -8.018 9.329 1.00 0.00 C ATOM 146 CD GLN A 9 -14.285 -8.649 8.270 1.00 0.00 C ATOM 147 OE1 GLN A 9 -14.483 -8.467 7.071 1.00 0.00 O ATOM 148 NE2 GLN A 9 -13.337 -9.464 8.728 1.00 0.00 N ATOM 0 H GLN A 9 -18.885 -10.561 9.289 1.00 0.00 H new ATOM 0 HA GLN A 9 -16.287 -10.206 8.253 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -16.986 -7.813 8.247 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -17.185 -7.905 9.986 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -15.007 -6.938 9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -14.838 -8.372 10.310 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -13.209 -9.584 9.733 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -12.738 -9.968 8.074 1.00 0.00 H new ATOM 157 N ARG A 10 -15.710 -11.477 10.270 1.00 0.00 N ATOM 158 CA ARG A 10 -15.153 -12.084 11.473 1.00 0.00 C ATOM 159 C ARG A 10 -14.261 -11.091 12.206 1.00 0.00 C ATOM 160 O ARG A 10 -14.116 -9.940 11.797 1.00 0.00 O ATOM 161 CB ARG A 10 -14.359 -13.357 11.146 1.00 0.00 C ATOM 162 CG ARG A 10 -14.947 -14.199 10.023 1.00 0.00 C ATOM 163 CD ARG A 10 -16.162 -14.941 10.466 1.00 0.00 C ATOM 164 NE ARG A 10 -17.379 -14.405 9.872 1.00 0.00 N ATOM 165 CZ ARG A 10 -17.771 -14.690 8.628 1.00 0.00 C ATOM 166 NH1 ARG A 10 -16.972 -15.323 7.774 1.00 0.00 N ATOM 167 NH2 ARG A 10 -18.972 -14.282 8.215 1.00 0.00 N ATOM 0 H ARG A 10 -15.319 -11.832 9.397 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.987 -12.361 12.117 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.341 -13.075 10.877 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.293 -13.969 12.045 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.201 -13.555 9.181 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.198 -14.907 9.669 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.061 -15.993 10.198 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.239 -14.894 11.552 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.960 -13.782 10.433 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.035 -15.603 8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.296 -15.529 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -19.578 -13.759 8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -19.284 -14.493 7.267 1.00 0.00 H new ATOM 181 N LYS A 11 -13.494 -11.618 13.161 1.00 0.00 N ATOM 182 CA LYS A 11 -12.609 -10.784 13.963 1.00 0.00 C ATOM 183 C LYS A 11 -11.567 -10.107 13.081 1.00 0.00 C ATOM 184 O LYS A 11 -11.521 -10.324 11.870 1.00 0.00 O ATOM 185 CB LYS A 11 -11.895 -11.593 15.048 1.00 0.00 C ATOM 186 CG LYS A 11 -10.966 -12.678 14.504 1.00 0.00 C ATOM 187 CD LYS A 11 -11.709 -13.888 13.970 1.00 0.00 C ATOM 188 CE LYS A 11 -10.877 -15.093 13.789 1.00 0.00 C ATOM 189 NZ LYS A 11 -11.589 -16.318 14.176 1.00 0.00 N ATOM 0 H LYS A 11 -13.470 -12.611 13.394 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.232 -10.030 14.445 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -11.316 -10.913 15.672 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.642 -12.058 15.691 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.352 -12.256 13.708 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.287 -12.996 15.295 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.525 -14.126 14.652 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.159 -13.627 13.012 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.569 -15.167 12.746 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.969 -14.999 14.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.968 -17.140 14.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.861 -16.260 15.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.443 -16.423 13.591 1.00 0.00 H new ATOM 203 N ILE A 12 -10.643 -9.401 13.727 1.00 0.00 N ATOM 204 CA ILE A 12 -9.503 -8.824 13.030 1.00 0.00 C ATOM 205 C ILE A 12 -8.385 -8.495 14.016 1.00 0.00 C ATOM 206 O ILE A 12 -8.539 -8.669 15.226 1.00 0.00 O ATOM 207 CB ILE A 12 -9.951 -7.560 12.205 1.00 0.00 C ATOM 208 CG1 ILE A 12 -8.880 -7.253 11.125 1.00 0.00 C ATOM 209 CG2 ILE A 12 -10.250 -6.335 13.095 1.00 0.00 C ATOM 210 CD1 ILE A 12 -9.459 -6.834 9.752 1.00 0.00 C ATOM 0 H ILE A 12 -10.663 -9.216 14.730 1.00 0.00 H new ATOM 0 HA ILE A 12 -9.109 -9.555 12.324 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.897 -7.789 11.715 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.231 -6.457 11.490 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.256 -8.136 10.988 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -10.554 -5.496 12.469 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -11.053 -6.578 13.791 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.355 -6.065 13.655 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.642 -6.638 9.057 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.084 -7.637 9.361 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.059 -5.932 9.870 1.00 0.00 H new ATOM 222 N ILE A 13 -7.200 -8.234 13.470 1.00 0.00 N ATOM 223 CA ILE A 13 -5.972 -8.264 14.267 1.00 0.00 C ATOM 224 C ILE A 13 -4.789 -7.831 13.421 1.00 0.00 C ATOM 225 O ILE A 13 -4.909 -7.598 12.215 1.00 0.00 O ATOM 226 CB ILE A 13 -5.773 -9.703 14.880 1.00 0.00 C ATOM 227 CG1 ILE A 13 -4.669 -9.647 15.966 1.00 0.00 C ATOM 228 CG2 ILE A 13 -5.483 -10.773 13.806 1.00 0.00 C ATOM 229 CD1 ILE A 13 -4.889 -8.564 17.050 1.00 0.00 C ATOM 0 H ILE A 13 -7.062 -8.001 12.487 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.050 -7.559 15.095 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.709 -10.012 15.344 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.605 -10.621 16.451 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.709 -9.468 15.481 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.355 -11.744 14.285 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.317 -10.821 13.106 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.572 -10.511 13.268 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.070 -8.596 17.768 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.922 -7.581 16.581 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.831 -8.751 17.566 1.00 0.00 H new ATOM 241 N LYS A 14 -3.660 -7.582 14.078 1.00 0.00 N ATOM 242 CA LYS A 14 -2.418 -7.269 13.415 1.00 0.00 C ATOM 243 C LYS A 14 -2.557 -6.098 12.439 1.00 0.00 C ATOM 244 O LYS A 14 -3.573 -5.386 12.479 1.00 0.00 O ATOM 245 CB LYS A 14 -1.766 -8.451 12.716 1.00 0.00 C ATOM 246 CG LYS A 14 -2.572 -9.117 11.612 1.00 0.00 C ATOM 247 CD LYS A 14 -2.705 -8.285 10.353 1.00 0.00 C ATOM 248 CE LYS A 14 -3.211 -9.026 9.179 1.00 0.00 C ATOM 249 NZ LYS A 14 -2.126 -9.618 8.388 1.00 0.00 N ATOM 0 H LYS A 14 -3.591 -7.594 15.096 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.752 -6.977 14.227 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.819 -8.117 12.292 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.530 -9.204 13.468 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.103 -10.068 11.358 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.568 -9.344 11.991 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.374 -7.448 10.555 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.731 -7.862 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.887 -9.813 9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.792 -8.352 8.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.142 -9.222 7.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.212 -9.403 8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.254 -10.649 8.340 1.00 0.00 H new ATOM 263 N CYS A 15 -1.392 -5.615 12.007 1.00 0.00 N ATOM 264 CA CYS A 15 -1.303 -4.358 11.269 1.00 0.00 C ATOM 265 C CYS A 15 -2.092 -4.463 9.968 1.00 0.00 C ATOM 266 O CYS A 15 -1.667 -5.130 9.022 1.00 0.00 O ATOM 267 CB CYS A 15 0.162 -3.997 11.033 1.00 0.00 C ATOM 268 SG CYS A 15 0.468 -2.356 10.357 1.00 0.00 S ATOM 0 H CYS A 15 -0.495 -6.078 12.157 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.746 -3.552 11.853 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.695 -4.084 11.980 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.593 -4.734 10.356 1.00 0.00 H new ATOM 273 N PHE A 16 -3.037 -3.534 9.809 1.00 0.00 N ATOM 274 CA PHE A 16 -3.876 -3.503 8.624 1.00 0.00 C ATOM 275 C PHE A 16 -3.078 -3.093 7.389 1.00 0.00 C ATOM 276 O PHE A 16 -3.608 -3.124 6.271 1.00 0.00 O ATOM 277 CB PHE A 16 -5.100 -2.556 8.759 1.00 0.00 C ATOM 278 CG PHE A 16 -6.105 -3.064 9.754 1.00 0.00 C ATOM 279 CD1 PHE A 16 -5.828 -2.851 11.107 1.00 0.00 C ATOM 280 CD2 PHE A 16 -7.319 -3.645 9.387 1.00 0.00 C ATOM 281 CE1 PHE A 16 -6.728 -3.235 12.088 1.00 0.00 C ATOM 282 CE2 PHE A 16 -8.249 -4.025 10.360 1.00 0.00 C ATOM 283 CZ PHE A 16 -7.945 -3.810 11.715 1.00 0.00 C ATOM 0 H PHE A 16 -3.235 -2.798 10.487 1.00 0.00 H new ATOM 0 HA PHE A 16 -4.248 -4.522 8.512 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.759 -1.566 9.063 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.579 -2.444 7.786 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.899 -2.380 11.392 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -7.543 -3.803 8.342 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -6.491 -3.091 13.132 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -9.187 -4.477 10.074 1.00 0.00 H new ATOM 0 HZ PHE A 16 -8.659 -4.092 12.475 1.00 0.00 H new ATOM 293 N ASN A 17 -1.953 -2.430 7.620 1.00 0.00 N ATOM 294 CA ASN A 17 -1.354 -1.550 6.610 1.00 0.00 C ATOM 295 C ASN A 17 -0.362 -2.334 5.763 1.00 0.00 C ATOM 296 O ASN A 17 -0.473 -2.394 4.540 1.00 0.00 O ATOM 297 CB ASN A 17 -0.761 -0.309 7.281 1.00 0.00 C ATOM 298 CG ASN A 17 -0.320 0.754 6.298 1.00 0.00 C ATOM 299 OD1 ASN A 17 -1.119 1.616 5.895 1.00 0.00 O ATOM 300 ND2 ASN A 17 0.894 0.592 5.763 1.00 0.00 N ATOM 0 H ASN A 17 -1.432 -2.481 8.496 1.00 0.00 H new ATOM 0 HA ASN A 17 -2.116 -1.183 5.922 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -1.501 0.117 7.958 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.093 -0.607 7.889 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.196 1.189 4.993 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.519 -0.129 6.125 1.00 0.00 H new ATOM 307 N CYS A 18 0.534 -3.046 6.448 1.00 0.00 N ATOM 308 CA CYS A 18 1.446 -3.960 5.776 1.00 0.00 C ATOM 309 C CYS A 18 0.858 -5.369 5.736 1.00 0.00 C ATOM 310 O CYS A 18 1.235 -6.185 4.895 1.00 0.00 O ATOM 311 CB CYS A 18 2.832 -3.941 6.408 1.00 0.00 C ATOM 312 SG CYS A 18 2.866 -4.283 8.183 1.00 0.00 S ATOM 0 H CYS A 18 0.644 -3.005 7.461 1.00 0.00 H new ATOM 0 HA CYS A 18 1.569 -3.619 4.748 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.457 -4.675 5.900 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.282 -2.964 6.233 1.00 0.00 H new ATOM 317 N GLY A 19 0.218 -5.734 6.851 1.00 0.00 N ATOM 318 CA GLY A 19 -0.340 -7.071 6.993 1.00 0.00 C ATOM 319 C GLY A 19 0.535 -7.922 7.906 1.00 0.00 C ATOM 320 O GLY A 19 0.499 -9.151 7.859 1.00 0.00 O ATOM 0 H GLY A 19 0.077 -5.126 7.657 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.349 -7.009 7.401 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.421 -7.543 6.014 1.00 0.00 H new ATOM 324 N LYS A 20 1.125 -7.257 8.899 1.00 0.00 N ATOM 325 CA LYS A 20 1.983 -7.938 9.858 1.00 0.00 C ATOM 326 C LYS A 20 1.434 -7.773 11.273 1.00 0.00 C ATOM 327 O LYS A 20 1.056 -6.671 11.676 1.00 0.00 O ATOM 328 CB LYS A 20 3.417 -7.408 9.818 1.00 0.00 C ATOM 329 CG LYS A 20 4.126 -7.638 8.483 1.00 0.00 C ATOM 330 CD LYS A 20 5.441 -8.381 8.626 1.00 0.00 C ATOM 331 CE LYS A 20 6.388 -7.779 9.584 1.00 0.00 C ATOM 332 NZ LYS A 20 7.430 -8.728 10.000 1.00 0.00 N ATOM 0 H LYS A 20 1.023 -6.254 9.057 1.00 0.00 H new ATOM 0 HA LYS A 20 1.996 -8.992 9.581 1.00 0.00 H new ATOM 0 HB2 LYS A 20 3.405 -6.339 10.032 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.993 -7.886 10.611 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.468 -8.201 7.821 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.310 -6.675 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.232 -9.405 8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.920 -8.436 7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.855 -6.904 9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.843 -7.431 10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.073 -8.264 10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.988 -9.552 10.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.967 -9.041 9.166 1.00 0.00 H new ATOM 346 N GLU A 21 1.667 -8.796 12.092 1.00 0.00 N ATOM 347 CA GLU A 21 1.399 -8.709 13.520 1.00 0.00 C ATOM 348 C GLU A 21 2.690 -8.473 14.293 1.00 0.00 C ATOM 349 O GLU A 21 3.707 -9.120 14.047 1.00 0.00 O ATOM 350 CB GLU A 21 0.729 -10.024 13.943 1.00 0.00 C ATOM 351 CG GLU A 21 1.427 -11.218 14.260 1.00 0.00 C ATOM 352 CD GLU A 21 1.784 -11.441 15.700 1.00 0.00 C ATOM 353 OE1 GLU A 21 0.793 -11.781 16.383 1.00 0.00 O ATOM 354 OE2 GLU A 21 2.921 -11.405 16.136 1.00 0.00 O ATOM 0 H GLU A 21 2.041 -9.695 11.788 1.00 0.00 H new ATOM 0 HA GLU A 21 0.741 -7.868 13.739 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.125 -9.786 14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.039 -10.283 13.140 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.822 -12.062 13.927 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.348 -11.236 13.677 1.00 0.00 H new ATOM 361 N GLY A 22 2.667 -7.451 15.144 1.00 0.00 N ATOM 362 CA GLY A 22 3.868 -7.021 15.847 1.00 0.00 C ATOM 363 C GLY A 22 3.808 -5.529 16.144 1.00 0.00 C ATOM 364 O GLY A 22 4.058 -5.089 17.265 1.00 0.00 O ATOM 0 H GLY A 22 1.832 -6.908 15.362 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.971 -7.579 16.778 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.748 -7.242 15.244 1.00 0.00 H new ATOM 368 N HIS A 23 3.413 -4.761 15.132 1.00 0.00 N ATOM 369 CA HIS A 23 3.187 -3.332 15.308 1.00 0.00 C ATOM 370 C HIS A 23 1.792 -2.953 14.831 1.00 0.00 C ATOM 371 O HIS A 23 1.040 -3.784 14.326 1.00 0.00 O ATOM 372 CB HIS A 23 4.231 -2.449 14.574 1.00 0.00 C ATOM 373 CG HIS A 23 4.214 -2.667 13.086 1.00 0.00 C ATOM 374 ND1 HIS A 23 4.837 -3.716 12.458 1.00 0.00 N ATOM 375 CD2 HIS A 23 3.417 -2.092 12.148 1.00 0.00 C ATOM 376 CE1 HIS A 23 4.451 -3.757 11.192 1.00 0.00 C ATOM 377 NE2 HIS A 23 3.565 -2.807 10.988 1.00 0.00 N ATOM 0 H HIS A 23 3.244 -5.104 14.186 1.00 0.00 H new ATOM 0 HA HIS A 23 3.291 -3.141 16.376 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.031 -1.399 14.788 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.226 -2.669 14.960 1.00 0.00 H new ATOM 0 HD1 HIS A 23 5.493 -4.362 12.897 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.783 -1.229 12.290 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.806 -4.456 10.449 1.00 0.00 H new ATOM 385 N ILE A 24 1.404 -1.715 15.132 1.00 0.00 N ATOM 386 CA ILE A 24 0.109 -1.204 14.716 1.00 0.00 C ATOM 387 C ILE A 24 0.264 -0.196 13.585 1.00 0.00 C ATOM 388 O ILE A 24 1.339 0.353 13.354 1.00 0.00 O ATOM 389 CB ILE A 24 -0.650 -0.574 15.953 1.00 0.00 C ATOM 390 CG1 ILE A 24 0.243 0.515 16.590 1.00 0.00 C ATOM 391 CG2 ILE A 24 -1.120 -1.638 16.965 1.00 0.00 C ATOM 392 CD1 ILE A 24 1.318 -0.009 17.574 1.00 0.00 C ATOM 0 H ILE A 24 1.970 -1.052 15.662 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.490 -2.031 14.336 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.570 -0.105 15.603 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.741 1.067 15.793 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -0.395 1.224 17.118 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -1.634 -1.150 17.793 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.801 -2.332 16.473 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.257 -2.185 17.345 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.892 0.830 17.967 1.00 0.00 H new ATOM 0 HD12 ILE A 24 0.833 -0.534 18.397 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.987 -0.693 17.052 1.00 0.00 H new ATOM 404 N ALA A 25 -0.863 0.139 12.960 1.00 0.00 N ATOM 405 CA ALA A 25 -0.809 0.845 11.670 1.00 0.00 C ATOM 406 C ALA A 25 -0.744 2.346 11.893 1.00 0.00 C ATOM 407 O ALA A 25 -0.076 3.067 11.142 1.00 0.00 O ATOM 408 CB ALA A 25 -2.051 0.450 10.865 1.00 0.00 C ATOM 0 H ALA A 25 -1.801 -0.057 13.308 1.00 0.00 H new ATOM 0 HA ALA A 25 0.087 0.566 11.116 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.037 0.960 9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.053 -0.628 10.705 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.947 0.737 11.415 1.00 0.00 H new ATOM 414 N LYS A 26 -1.182 2.770 13.077 1.00 0.00 N ATOM 415 CA LYS A 26 -0.923 4.122 13.557 1.00 0.00 C ATOM 416 C LYS A 26 0.575 4.371 13.670 1.00 0.00 C ATOM 417 O LYS A 26 1.045 5.503 13.579 1.00 0.00 O ATOM 418 CB LYS A 26 -1.574 4.372 14.920 1.00 0.00 C ATOM 419 CG LYS A 26 -2.984 4.956 14.835 1.00 0.00 C ATOM 420 CD LYS A 26 -3.752 4.853 16.140 1.00 0.00 C ATOM 421 CE LYS A 26 -4.714 5.945 16.378 1.00 0.00 C ATOM 422 NZ LYS A 26 -4.768 6.334 17.793 1.00 0.00 N ATOM 0 H LYS A 26 -1.720 2.192 13.723 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.358 4.809 12.831 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.613 3.432 15.471 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.944 5.052 15.494 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.920 6.003 14.540 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.539 4.438 14.052 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.289 3.905 16.156 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -3.039 4.829 16.964 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.437 6.810 15.775 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.705 5.632 16.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.456 7.104 17.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.057 5.516 18.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.829 6.657 18.100 1.00 0.00 H new ATOM 436 N ASN A 27 1.302 3.314 14.031 1.00 0.00 N ATOM 437 CA ASN A 27 2.751 3.387 14.116 1.00 0.00 C ATOM 438 C ASN A 27 3.395 3.225 12.743 1.00 0.00 C ATOM 439 O ASN A 27 4.614 3.383 12.602 1.00 0.00 O ATOM 440 CB ASN A 27 3.301 2.434 15.178 1.00 0.00 C ATOM 441 CG ASN A 27 4.075 3.142 16.273 1.00 0.00 C ATOM 442 OD1 ASN A 27 5.236 2.804 16.550 1.00 0.00 O ATOM 443 ND2 ASN A 27 3.447 4.145 16.886 1.00 0.00 N ATOM 0 H ASN A 27 0.909 2.403 14.267 1.00 0.00 H new ATOM 0 HA ASN A 27 3.027 4.386 14.455 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.474 1.882 15.625 1.00 0.00 H new ATOM 0 HB3 ASN A 27 3.950 1.702 14.698 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.922 4.672 17.618 1.00 0.00 H new ATOM 0 HD22 ASN A 27 2.491 4.385 16.623 1.00 0.00 H new ATOM 450 N CYS A 28 2.637 2.670 11.807 1.00 0.00 N ATOM 451 CA CYS A 28 3.222 2.049 10.612 1.00 0.00 C ATOM 452 C CYS A 28 3.463 3.107 9.544 1.00 0.00 C ATOM 453 O CYS A 28 2.520 3.682 8.998 1.00 0.00 O ATOM 454 CB CYS A 28 2.305 0.930 10.121 1.00 0.00 C ATOM 455 SG CYS A 28 3.001 -0.129 8.840 1.00 0.00 S ATOM 0 H CYS A 28 1.618 2.634 11.846 1.00 0.00 H new ATOM 0 HA CYS A 28 4.188 1.606 10.852 1.00 0.00 H new ATOM 0 HB2 CYS A 28 2.029 0.309 10.973 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.386 1.376 9.741 1.00 0.00 H new ATOM 460 N ARG A 29 4.713 3.190 9.096 1.00 0.00 N ATOM 461 CA ARG A 29 5.044 3.944 7.890 1.00 0.00 C ATOM 462 C ARG A 29 5.697 3.029 6.862 1.00 0.00 C ATOM 463 O ARG A 29 6.525 3.450 6.052 1.00 0.00 O ATOM 464 CB ARG A 29 5.957 5.135 8.206 1.00 0.00 C ATOM 465 CG ARG A 29 6.019 6.195 7.116 1.00 0.00 C ATOM 466 CD ARG A 29 4.741 6.957 7.015 1.00 0.00 C ATOM 467 NE ARG A 29 4.882 8.158 6.205 1.00 0.00 N ATOM 468 CZ ARG A 29 5.729 9.146 6.503 1.00 0.00 C ATOM 469 NH1 ARG A 29 6.361 9.192 7.672 1.00 0.00 N ATOM 470 NH2 ARG A 29 5.903 10.139 5.630 1.00 0.00 N ATOM 0 H ARG A 29 5.512 2.746 9.549 1.00 0.00 H new ATOM 0 HA ARG A 29 4.117 4.340 7.475 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.615 5.602 9.129 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.965 4.764 8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.838 6.884 7.324 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.237 5.721 6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.971 6.317 6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.403 7.232 8.014 1.00 0.00 H new ATOM 0 HE ARG A 29 4.305 8.249 5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.204 8.461 8.366 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.003 9.958 7.875 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.392 10.137 4.747 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.547 10.900 5.845 1.00 0.00 H new ATOM 484 N ALA A 30 5.068 1.868 6.677 1.00 0.00 N ATOM 485 CA ALA A 30 5.681 0.815 5.853 1.00 0.00 C ATOM 486 C ALA A 30 5.693 1.222 4.394 1.00 0.00 C ATOM 487 O ALA A 30 4.718 1.802 3.902 1.00 0.00 O ATOM 488 CB ALA A 30 4.863 -0.465 6.076 1.00 0.00 C ATOM 0 H ALA A 30 4.158 1.632 7.073 1.00 0.00 H new ATOM 0 HA ALA A 30 6.720 0.649 6.137 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.285 -1.275 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.893 -0.737 7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.830 -0.294 5.774 1.00 0.00 H new ATOM 494 N PRO A 31 6.838 1.016 3.696 1.00 0.00 N ATOM 495 CA PRO A 31 7.035 1.713 2.438 1.00 0.00 C ATOM 496 C PRO A 31 6.010 1.223 1.414 1.00 0.00 C ATOM 497 O PRO A 31 5.162 0.386 1.731 1.00 0.00 O ATOM 498 CB PRO A 31 8.518 1.445 2.222 1.00 0.00 C ATOM 499 CG PRO A 31 8.747 0.104 2.922 1.00 0.00 C ATOM 500 CD PRO A 31 7.877 0.094 4.135 1.00 0.00 C ATOM 0 HA PRO A 31 6.850 2.786 2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.765 1.391 1.162 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.135 2.233 2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.496 -0.725 2.260 1.00 0.00 H new ATOM 0 HG3 PRO A 31 9.795 -0.014 3.197 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.487 -0.898 4.362 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.398 0.444 5.026 1.00 0.00 H new ATOM 508 N ARG A 32 6.298 1.509 0.146 1.00 0.00 N ATOM 509 CA ARG A 32 5.612 0.854 -0.961 1.00 0.00 C ATOM 510 C ARG A 32 6.281 1.215 -2.285 1.00 0.00 C ATOM 511 O ARG A 32 6.059 2.301 -2.825 1.00 0.00 O ATOM 512 CB ARG A 32 4.126 1.230 -1.011 1.00 0.00 C ATOM 513 CG ARG A 32 3.346 0.586 -2.148 1.00 0.00 C ATOM 514 CD ARG A 32 3.100 -0.863 -1.895 1.00 0.00 C ATOM 515 NE ARG A 32 4.173 -1.700 -2.413 1.00 0.00 N ATOM 516 CZ ARG A 32 3.968 -2.906 -2.947 1.00 0.00 C ATOM 517 NH1 ARG A 32 2.786 -3.511 -2.865 1.00 0.00 N ATOM 518 NH2 ARG A 32 4.986 -3.543 -3.527 1.00 0.00 N ATOM 0 H ARG A 32 7.002 2.190 -0.138 1.00 0.00 H new ATOM 0 HA ARG A 32 5.682 -0.222 -0.799 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.662 0.949 -0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.042 2.313 -1.098 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.393 1.101 -2.273 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.897 0.704 -3.081 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.996 -1.031 -0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.157 -1.156 -2.357 1.00 0.00 H new ATOM 0 HE ARG A 32 5.129 -1.347 -2.365 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.011 -3.053 -2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.655 -4.433 -3.282 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.908 -3.108 -3.559 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.843 -4.465 -3.939 1.00 0.00 H new ATOM 532 N LYS A 33 6.833 0.193 -2.935 1.00 0.00 N ATOM 533 CA LYS A 33 7.365 0.338 -4.280 1.00 0.00 C ATOM 534 C LYS A 33 8.560 1.287 -4.284 1.00 0.00 C ATOM 535 O LYS A 33 8.493 2.387 -3.734 1.00 0.00 O ATOM 536 CB LYS A 33 6.313 0.860 -5.262 1.00 0.00 C ATOM 537 CG LYS A 33 6.683 0.660 -6.732 1.00 0.00 C ATOM 538 CD LYS A 33 5.590 -0.019 -7.535 1.00 0.00 C ATOM 539 CE LYS A 33 4.418 0.829 -7.822 1.00 0.00 C ATOM 540 NZ LYS A 33 3.183 0.043 -7.943 1.00 0.00 N ATOM 0 H LYS A 33 6.922 -0.746 -2.547 1.00 0.00 H new ATOM 0 HA LYS A 33 7.676 -0.655 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.366 0.358 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.155 1.923 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.905 1.629 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.594 0.064 -6.793 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.012 -0.363 -8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.257 -0.904 -6.993 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.301 1.566 -7.028 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.588 1.381 -8.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.385 0.679 -8.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.283 -0.644 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.005 -0.464 -7.052 1.00 0.00 H new ATOM 554 N ARG A 34 9.548 0.953 -5.111 1.00 0.00 N ATOM 555 CA ARG A 34 10.631 1.878 -5.420 1.00 0.00 C ATOM 556 C ARG A 34 11.602 1.245 -6.412 1.00 0.00 C ATOM 557 O ARG A 34 11.284 0.240 -7.050 1.00 0.00 O ATOM 558 CB ARG A 34 11.387 2.311 -4.157 1.00 0.00 C ATOM 559 CG ARG A 34 11.426 1.270 -3.049 1.00 0.00 C ATOM 560 CD ARG A 34 10.865 1.798 -1.772 1.00 0.00 C ATOM 561 NE ARG A 34 11.580 2.977 -1.305 1.00 0.00 N ATOM 562 CZ ARG A 34 11.059 3.858 -0.449 1.00 0.00 C ATOM 563 NH1 ARG A 34 9.774 3.822 -0.110 1.00 0.00 N ATOM 564 NH2 ARG A 34 11.833 4.829 0.036 1.00 0.00 N ATOM 0 H ARG A 34 9.619 0.049 -5.578 1.00 0.00 H new ATOM 0 HA ARG A 34 10.184 2.767 -5.866 1.00 0.00 H new ATOM 0 HB2 ARG A 34 12.410 2.566 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 34 10.926 3.219 -3.768 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.862 0.390 -3.357 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.455 0.949 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.813 2.045 -1.914 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.910 1.021 -1.008 1.00 0.00 H new ATOM 0 HE ARG A 34 12.527 3.138 -1.649 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.162 3.109 -0.507 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.400 4.507 0.547 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.811 4.892 -0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 34 11.448 5.509 0.691 1.00 0.00 H new ATOM 578 N GLY A 35 12.672 1.979 -6.709 1.00 0.00 N ATOM 579 CA GLY A 35 13.534 1.650 -7.838 1.00 0.00 C ATOM 580 C GLY A 35 14.372 2.866 -8.232 1.00 0.00 C ATOM 581 O GLY A 35 15.346 3.199 -7.552 1.00 0.00 O ATOM 0 H GLY A 35 12.961 2.804 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 35 14.188 0.818 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.929 1.326 -8.685 1.00 0.00 H new ATOM 585 N CYS A 36 13.804 3.682 -9.117 1.00 0.00 N ATOM 586 CA CYS A 36 14.290 5.040 -9.331 1.00 0.00 C ATOM 587 C CYS A 36 14.174 5.852 -8.044 1.00 0.00 C ATOM 588 O CYS A 36 13.073 6.177 -7.599 1.00 0.00 O ATOM 589 CB CYS A 36 13.549 5.710 -10.486 1.00 0.00 C ATOM 590 SG CYS A 36 14.319 7.232 -11.091 1.00 0.00 S ATOM 0 H CYS A 36 13.006 3.425 -9.697 1.00 0.00 H new ATOM 0 HA CYS A 36 15.344 4.994 -9.606 1.00 0.00 H new ATOM 0 HB2 CYS A 36 13.474 5.003 -11.312 1.00 0.00 H new ATOM 0 HB3 CYS A 36 12.532 5.935 -10.166 1.00 0.00 H new ATOM 595 N TRP A 37 15.308 6.417 -7.633 1.00 0.00 N ATOM 596 CA TRP A 37 15.348 7.276 -6.462 1.00 0.00 C ATOM 597 C TRP A 37 14.448 8.494 -6.642 1.00 0.00 C ATOM 598 O TRP A 37 14.190 9.231 -5.685 1.00 0.00 O ATOM 599 CB TRP A 37 16.786 7.663 -6.103 1.00 0.00 C ATOM 600 CG TRP A 37 17.767 6.544 -6.170 1.00 0.00 C ATOM 601 CD1 TRP A 37 18.600 6.232 -7.211 1.00 0.00 C ATOM 602 CD2 TRP A 37 17.891 5.465 -5.228 1.00 0.00 C ATOM 603 NE1 TRP A 37 19.278 5.065 -6.946 1.00 0.00 N ATOM 604 CE2 TRP A 37 18.861 4.575 -5.741 1.00 0.00 C ATOM 605 CE3 TRP A 37 17.288 5.191 -4.006 1.00 0.00 C ATOM 606 CZ2 TRP A 37 19.242 3.426 -5.063 1.00 0.00 C ATOM 607 CZ3 TRP A 37 17.665 4.047 -3.332 1.00 0.00 C ATOM 608 CH2 TRP A 37 18.621 3.177 -3.849 1.00 0.00 C ATOM 0 H TRP A 37 16.208 6.293 -8.096 1.00 0.00 H new ATOM 0 HA TRP A 37 14.954 6.712 -5.616 1.00 0.00 H new ATOM 0 HB2 TRP A 37 17.113 8.456 -6.776 1.00 0.00 H new ATOM 0 HB3 TRP A 37 16.796 8.077 -5.095 1.00 0.00 H new ATOM 0 HD1 TRP A 37 18.709 6.818 -8.111 1.00 0.00 H new ATOM 0 HE1 TRP A 37 19.978 4.635 -7.551 1.00 0.00 H new ATOM 0 HE3 TRP A 37 16.543 5.856 -3.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 19.989 2.756 -5.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 17.207 3.821 -2.380 1.00 0.00 H new ATOM 0 HH2 TRP A 37 18.884 2.290 -3.293 1.00 0.00 H new ATOM 619 N LYS A 38 14.301 8.893 -7.906 1.00 0.00 N ATOM 620 CA LYS A 38 13.620 10.136 -8.239 1.00 0.00 C ATOM 621 C LYS A 38 12.105 9.934 -8.187 1.00 0.00 C ATOM 622 O LYS A 38 11.398 10.682 -7.510 1.00 0.00 O ATOM 623 CB LYS A 38 13.996 10.617 -9.646 1.00 0.00 C ATOM 624 CG LYS A 38 13.390 11.966 -10.023 1.00 0.00 C ATOM 625 CD LYS A 38 14.126 13.144 -9.412 1.00 0.00 C ATOM 626 CE LYS A 38 13.900 13.331 -7.966 1.00 0.00 C ATOM 627 NZ LYS A 38 15.108 13.058 -7.178 1.00 0.00 N ATOM 0 H LYS A 38 14.645 8.371 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 38 13.929 10.885 -7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.082 10.685 -9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.675 9.870 -10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.393 12.068 -11.108 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.348 11.991 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.195 13.016 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.825 14.053 -9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.570 14.353 -7.780 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.097 12.672 -7.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.844 12.884 -6.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.590 12.219 -7.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 15.747 13.877 -7.227 1.00 0.00 H new ATOM 641 N CYS A 39 11.611 9.140 -9.137 1.00 0.00 N ATOM 642 CA CYS A 39 10.183 9.091 -9.423 1.00 0.00 C ATOM 643 C CYS A 39 9.526 7.937 -8.679 1.00 0.00 C ATOM 644 O CYS A 39 8.334 7.959 -8.384 1.00 0.00 O ATOM 645 CB CYS A 39 9.914 9.037 -10.922 1.00 0.00 C ATOM 646 SG CYS A 39 10.715 7.673 -11.795 1.00 0.00 S ATOM 0 H CYS A 39 12.180 8.524 -9.719 1.00 0.00 H new ATOM 0 HA CYS A 39 9.731 10.014 -9.060 1.00 0.00 H new ATOM 0 HB2 CYS A 39 8.838 8.967 -11.080 1.00 0.00 H new ATOM 0 HB3 CYS A 39 10.241 9.976 -11.368 1.00 0.00 H new ATOM 651 N GLY A 40 10.353 6.970 -8.285 1.00 0.00 N ATOM 652 CA GLY A 40 9.853 5.771 -7.627 1.00 0.00 C ATOM 653 C GLY A 40 9.717 4.630 -8.629 1.00 0.00 C ATOM 654 O GLY A 40 9.617 3.462 -8.252 1.00 0.00 O ATOM 0 H GLY A 40 11.365 6.995 -8.410 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.531 5.480 -6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.886 5.977 -7.168 1.00 0.00 H new ATOM 658 N LYS A 41 9.446 5.008 -9.878 1.00 0.00 N ATOM 659 CA LYS A 41 9.246 4.031 -10.938 1.00 0.00 C ATOM 660 C LYS A 41 10.552 3.310 -11.252 1.00 0.00 C ATOM 661 O LYS A 41 11.621 3.701 -10.781 1.00 0.00 O ATOM 662 CB LYS A 41 8.716 4.681 -12.218 1.00 0.00 C ATOM 663 CG LYS A 41 7.781 3.782 -13.028 1.00 0.00 C ATOM 664 CD LYS A 41 7.905 3.987 -14.525 1.00 0.00 C ATOM 665 CE LYS A 41 7.788 2.755 -15.328 1.00 0.00 C ATOM 666 NZ LYS A 41 8.653 2.786 -16.515 1.00 0.00 N ATOM 0 H LYS A 41 9.361 5.980 -10.176 1.00 0.00 H new ATOM 0 HA LYS A 41 8.504 3.318 -10.578 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.187 5.597 -11.956 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.560 4.969 -12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.995 2.740 -12.792 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.751 3.973 -12.726 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.135 4.689 -14.847 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.868 4.452 -14.736 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.049 1.895 -14.712 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.752 2.622 -15.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.540 1.902 -17.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.388 3.592 -17.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.645 2.887 -16.219 1.00 0.00 H new ATOM 680 N GLU A 42 10.423 2.148 -11.886 1.00 0.00 N ATOM 681 CA GLU A 42 11.559 1.259 -12.086 1.00 0.00 C ATOM 682 C GLU A 42 11.903 1.162 -13.568 1.00 0.00 C ATOM 683 O GLU A 42 11.026 0.973 -14.411 1.00 0.00 O ATOM 684 CB GLU A 42 11.178 -0.112 -11.512 1.00 0.00 C ATOM 685 CG GLU A 42 10.441 -0.308 -10.316 1.00 0.00 C ATOM 686 CD GLU A 42 8.945 -0.315 -10.426 1.00 0.00 C ATOM 687 OE1 GLU A 42 8.283 -1.302 -10.694 1.00 0.00 O ATOM 688 OE2 GLU A 42 8.456 0.828 -10.288 1.00 0.00 O ATOM 0 H GLU A 42 9.543 1.802 -12.269 1.00 0.00 H new ATOM 0 HA GLU A 42 12.444 1.641 -11.578 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.620 -0.623 -12.297 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.114 -0.655 -11.381 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.752 -1.257 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.724 0.475 -9.612 1.00 0.00 H new ATOM 695 N GLY A 43 13.202 1.089 -13.847 1.00 0.00 N ATOM 696 CA GLY A 43 13.677 0.797 -15.192 1.00 0.00 C ATOM 697 C GLY A 43 14.396 2.007 -15.778 1.00 0.00 C ATOM 698 O GLY A 43 14.650 2.071 -16.982 1.00 0.00 O ATOM 0 H GLY A 43 13.942 1.228 -13.159 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.352 -0.058 -15.168 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.837 0.522 -15.829 1.00 0.00 H new ATOM 702 N HIS A 44 14.898 2.858 -14.887 1.00 0.00 N ATOM 703 CA HIS A 44 15.817 3.920 -15.283 1.00 0.00 C ATOM 704 C HIS A 44 16.446 4.559 -14.049 1.00 0.00 C ATOM 705 O HIS A 44 16.005 4.323 -12.923 1.00 0.00 O ATOM 706 CB HIS A 44 15.155 5.022 -16.146 1.00 0.00 C ATOM 707 CG HIS A 44 14.055 5.742 -15.417 1.00 0.00 C ATOM 708 ND1 HIS A 44 12.829 5.195 -15.138 1.00 0.00 N ATOM 709 CD2 HIS A 44 14.127 6.886 -14.684 1.00 0.00 C ATOM 710 CE1 HIS A 44 12.192 5.971 -14.273 1.00 0.00 C ATOM 711 NE2 HIS A 44 12.984 6.965 -13.929 1.00 0.00 N ATOM 0 H HIS A 44 14.685 2.833 -13.890 1.00 0.00 H new ATOM 0 HA HIS A 44 16.579 3.444 -15.901 1.00 0.00 H new ATOM 0 HB2 HIS A 44 15.913 5.742 -16.455 1.00 0.00 H new ATOM 0 HB3 HIS A 44 14.752 4.574 -17.054 1.00 0.00 H new ATOM 0 HD1 HIS A 44 12.465 4.328 -15.534 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.936 7.601 -14.695 1.00 0.00 H new ATOM 0 HE1 HIS A 44 11.187 5.814 -13.910 1.00 0.00 H new ATOM 719 N GLN A 45 17.317 5.534 -14.292 1.00 0.00 N ATOM 720 CA GLN A 45 17.789 6.417 -13.231 1.00 0.00 C ATOM 721 C GLN A 45 17.457 7.866 -13.559 1.00 0.00 C ATOM 722 O GLN A 45 17.095 8.199 -14.689 1.00 0.00 O ATOM 723 CB GLN A 45 19.283 6.243 -12.944 1.00 0.00 C ATOM 724 CG GLN A 45 19.659 6.498 -11.497 1.00 0.00 C ATOM 725 CD GLN A 45 20.550 7.704 -11.320 1.00 0.00 C ATOM 726 OE1 GLN A 45 20.673 8.555 -12.197 1.00 0.00 O ATOM 727 NE2 GLN A 45 21.100 7.828 -10.114 1.00 0.00 N ATOM 0 H GLN A 45 17.709 5.732 -15.212 1.00 0.00 H new ATOM 0 HA GLN A 45 17.264 6.135 -12.318 1.00 0.00 H new ATOM 0 HB2 GLN A 45 19.580 5.230 -13.214 1.00 0.00 H new ATOM 0 HB3 GLN A 45 19.848 6.922 -13.582 1.00 0.00 H new ATOM 0 HG2 GLN A 45 18.751 6.636 -10.911 1.00 0.00 H new ATOM 0 HG3 GLN A 45 20.165 5.618 -11.099 1.00 0.00 H new ATOM 0 HE21 GLN A 45 20.971 7.095 -9.417 1.00 0.00 H new ATOM 0 HE22 GLN A 45 21.651 8.656 -9.887 1.00 0.00 H new ATOM 736 N MET A 46 17.852 8.762 -12.651 1.00 0.00 N ATOM 737 CA MET A 46 17.432 10.157 -12.754 1.00 0.00 C ATOM 738 C MET A 46 17.955 10.783 -14.037 1.00 0.00 C ATOM 739 O MET A 46 17.255 11.531 -14.717 1.00 0.00 O ATOM 740 CB MET A 46 17.864 10.944 -11.516 1.00 0.00 C ATOM 741 CG MET A 46 16.845 11.969 -11.126 1.00 0.00 C ATOM 742 SD MET A 46 16.998 13.427 -12.215 1.00 0.00 S ATOM 743 CE MET A 46 15.335 14.103 -12.064 1.00 0.00 C ATOM 0 H MET A 46 18.450 8.551 -11.852 1.00 0.00 H new ATOM 0 HA MET A 46 16.343 10.191 -12.797 1.00 0.00 H new ATOM 0 HB2 MET A 46 18.024 10.256 -10.686 1.00 0.00 H new ATOM 0 HB3 MET A 46 18.817 11.435 -11.712 1.00 0.00 H new ATOM 0 HG2 MET A 46 15.843 11.548 -11.203 1.00 0.00 H new ATOM 0 HG3 MET A 46 16.988 12.262 -10.086 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.107 14.708 -12.942 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.616 13.287 -11.989 1.00 0.00 H new ATOM 0 HE3 MET A 46 15.274 14.723 -11.170 1.00 0.00 H new ATOM 753 N LYS A 47 19.205 10.463 -14.364 1.00 0.00 N ATOM 754 CA LYS A 47 19.891 11.128 -15.466 1.00 0.00 C ATOM 755 C LYS A 47 19.181 10.840 -16.784 1.00 0.00 C ATOM 756 O LYS A 47 19.180 11.665 -17.698 1.00 0.00 O ATOM 757 CB LYS A 47 21.352 10.693 -15.571 1.00 0.00 C ATOM 758 CG LYS A 47 22.329 11.851 -15.790 1.00 0.00 C ATOM 759 CD LYS A 47 22.419 12.785 -14.599 1.00 0.00 C ATOM 760 CE LYS A 47 22.548 14.213 -14.942 1.00 0.00 C ATOM 761 NZ LYS A 47 21.422 15.008 -14.435 1.00 0.00 N ATOM 0 H LYS A 47 19.759 9.753 -13.885 1.00 0.00 H new ATOM 0 HA LYS A 47 19.868 12.198 -15.261 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.630 10.163 -14.660 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.452 9.985 -16.394 1.00 0.00 H new ATOM 0 HG2 LYS A 47 23.319 11.448 -16.004 1.00 0.00 H new ATOM 0 HG3 LYS A 47 22.019 12.419 -16.667 1.00 0.00 H new ATOM 0 HD2 LYS A 47 21.529 12.653 -13.983 1.00 0.00 H new ATOM 0 HD3 LYS A 47 23.275 12.493 -13.990 1.00 0.00 H new ATOM 0 HE2 LYS A 47 23.480 14.601 -14.530 1.00 0.00 H new ATOM 0 HE3 LYS A 47 22.609 14.321 -16.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 21.554 16.005 -14.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 20.535 14.655 -14.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 21.379 14.927 -13.399 1.00 0.00 H new ATOM 775 N ASP A 48 18.360 9.791 -16.763 1.00 0.00 N ATOM 776 CA ASP A 48 17.550 9.437 -17.919 1.00 0.00 C ATOM 777 C ASP A 48 16.071 9.416 -17.549 1.00 0.00 C ATOM 778 O ASP A 48 15.246 8.844 -18.261 1.00 0.00 O ATOM 779 CB ASP A 48 18.046 8.154 -18.584 1.00 0.00 C ATOM 780 CG ASP A 48 19.519 8.196 -18.944 1.00 0.00 C ATOM 781 OD1 ASP A 48 19.979 9.127 -19.623 1.00 0.00 O ATOM 782 OD2 ASP A 48 20.207 7.218 -18.578 1.00 0.00 O ATOM 0 H ASP A 48 18.241 9.175 -15.959 1.00 0.00 H new ATOM 0 HA ASP A 48 17.662 10.209 -18.680 1.00 0.00 H new ATOM 0 HB2 ASP A 48 17.867 7.313 -17.914 1.00 0.00 H new ATOM 0 HB3 ASP A 48 17.463 7.972 -19.487 1.00 0.00 H new ATOM 787 N CYS A 49 15.721 10.272 -16.589 1.00 0.00 N ATOM 788 CA CYS A 49 14.340 10.369 -16.133 1.00 0.00 C ATOM 789 C CYS A 49 13.643 11.551 -16.793 1.00 0.00 C ATOM 790 O CYS A 49 14.128 12.680 -16.764 1.00 0.00 O ATOM 791 CB CYS A 49 14.272 10.456 -14.608 1.00 0.00 C ATOM 792 SG CYS A 49 12.642 10.096 -13.914 1.00 0.00 S ATOM 0 H CYS A 49 16.370 10.902 -16.117 1.00 0.00 H new ATOM 0 HA CYS A 49 13.813 9.462 -16.430 1.00 0.00 H new ATOM 0 HB2 CYS A 49 14.996 9.761 -14.183 1.00 0.00 H new ATOM 0 HB3 CYS A 49 14.572 11.457 -14.299 1.00 0.00 H new ATOM 797 N THR A 50 12.551 11.249 -17.495 1.00 0.00 N ATOM 798 CA THR A 50 11.718 12.298 -18.073 1.00 0.00 C ATOM 799 C THR A 50 11.026 13.093 -16.978 1.00 0.00 C ATOM 800 O THR A 50 10.602 14.231 -17.172 1.00 0.00 O ATOM 801 CB THR A 50 10.659 11.705 -19.095 1.00 0.00 C ATOM 802 OG1 THR A 50 10.541 10.287 -18.832 1.00 0.00 O ATOM 803 CG2 THR A 50 10.952 12.043 -20.557 1.00 0.00 C ATOM 0 H THR A 50 12.227 10.299 -17.675 1.00 0.00 H new ATOM 0 HA THR A 50 12.369 12.971 -18.631 1.00 0.00 H new ATOM 0 HB THR A 50 9.693 12.183 -18.933 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.253 9.806 -19.304 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.184 11.603 -21.193 1.00 0.00 H new ATOM 0 HG22 THR A 50 10.954 13.125 -20.687 1.00 0.00 H new ATOM 0 HG23 THR A 50 11.927 11.642 -20.835 1.00 0.00 H new ATOM 811 N GLU A 51 10.864 12.463 -15.816 1.00 0.00 N ATOM 812 CA GLU A 51 10.460 13.164 -14.610 1.00 0.00 C ATOM 813 C GLU A 51 9.129 13.883 -14.803 1.00 0.00 C ATOM 814 O GLU A 51 8.452 13.687 -15.817 1.00 0.00 O ATOM 815 CB GLU A 51 11.578 14.139 -14.224 1.00 0.00 C ATOM 816 CG GLU A 51 11.946 15.294 -14.959 1.00 0.00 C ATOM 817 CD GLU A 51 10.865 16.283 -15.276 1.00 0.00 C ATOM 818 OE1 GLU A 51 10.189 16.583 -14.268 1.00 0.00 O ATOM 819 OE2 GLU A 51 10.645 16.725 -16.390 1.00 0.00 O ATOM 0 H GLU A 51 11.009 11.461 -15.689 1.00 0.00 H new ATOM 0 HA GLU A 51 10.306 12.448 -13.802 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.335 14.489 -13.221 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.483 13.537 -14.141 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.725 15.814 -14.402 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.390 14.968 -15.899 1.00 0.00 H new ATOM 826 N ARG A 52 8.621 14.438 -13.703 1.00 0.00 N ATOM 827 CA ARG A 52 7.248 14.919 -13.649 1.00 0.00 C ATOM 828 C ARG A 52 6.940 15.481 -12.263 1.00 0.00 C ATOM 829 O ARG A 52 7.164 14.814 -11.251 1.00 0.00 O ATOM 830 CB ARG A 52 6.241 13.815 -13.995 1.00 0.00 C ATOM 831 CG ARG A 52 6.652 12.418 -13.552 1.00 0.00 C ATOM 832 CD ARG A 52 6.016 12.041 -12.257 1.00 0.00 C ATOM 833 NE ARG A 52 6.328 10.672 -11.871 1.00 0.00 N ATOM 834 CZ ARG A 52 5.708 9.608 -12.385 1.00 0.00 C ATOM 835 NH1 ARG A 52 4.619 9.735 -13.138 1.00 0.00 N ATOM 836 NH2 ARG A 52 6.157 8.387 -12.091 1.00 0.00 N ATOM 0 H ARG A 52 9.145 14.564 -12.837 1.00 0.00 H new ATOM 0 HA ARG A 52 7.150 15.708 -14.395 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.283 14.060 -13.537 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.086 13.808 -15.074 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.372 11.696 -14.319 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.736 12.372 -13.452 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.353 12.723 -11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.935 12.157 -12.337 1.00 0.00 H new ATOM 0 HE ARG A 52 7.056 10.519 -11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.240 10.661 -13.334 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.163 8.906 -13.519 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.966 8.275 -11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.692 7.566 -12.478 1.00 0.00 H new ATOM 850 N GLN A 53 6.675 16.784 -12.223 1.00 0.00 N ATOM 851 CA GLN A 53 6.658 17.520 -10.964 1.00 0.00 C ATOM 852 C GLN A 53 5.226 17.673 -10.459 1.00 0.00 C ATOM 853 O GLN A 53 4.916 18.610 -9.720 1.00 0.00 O ATOM 854 CB GLN A 53 7.355 18.878 -11.066 1.00 0.00 C ATOM 855 CG GLN A 53 8.263 19.189 -9.892 1.00 0.00 C ATOM 856 CD GLN A 53 9.429 18.238 -9.778 1.00 0.00 C ATOM 857 OE1 GLN A 53 9.445 17.155 -10.357 1.00 0.00 O ATOM 858 NE2 GLN A 53 10.386 18.615 -8.932 1.00 0.00 N ATOM 0 H GLN A 53 6.470 17.350 -13.046 1.00 0.00 H new ATOM 0 HA GLN A 53 7.227 16.936 -10.240 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.941 18.907 -11.984 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.599 19.659 -11.146 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.640 20.207 -9.992 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.681 19.153 -8.971 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.332 19.524 -8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.173 17.994 -8.743 1.00 0.00 H new ATOM 867 N ALA A 54 4.438 16.620 -10.656 1.00 0.00 N ATOM 868 CA ALA A 54 3.143 16.502 -9.996 1.00 0.00 C ATOM 869 C ALA A 54 3.324 16.001 -8.566 1.00 0.00 C ATOM 870 O ALA A 54 4.268 15.265 -8.271 1.00 0.00 O ATOM 871 CB ALA A 54 2.228 15.576 -10.790 1.00 0.00 C ATOM 0 H ALA A 54 4.674 15.838 -11.267 1.00 0.00 H new ATOM 0 HA ALA A 54 2.675 17.486 -9.954 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.265 15.497 -10.286 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.082 15.980 -11.792 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.683 14.588 -10.861 1.00 0.00 H new ATOM 877 N ASN A 55 2.559 16.595 -7.654 1.00 0.00 N ATOM 878 CA ASN A 55 2.782 16.399 -6.227 1.00 0.00 C ATOM 879 C ASN A 55 2.418 14.972 -5.826 1.00 0.00 C ATOM 880 O ASN A 55 1.972 14.752 -4.689 1.00 0.00 O ATOM 881 CB ASN A 55 2.092 17.477 -5.396 1.00 0.00 C ATOM 882 CG ASN A 55 2.740 17.698 -4.042 1.00 0.00 C ATOM 883 OD1 ASN A 55 2.374 17.050 -3.051 1.00 0.00 O ATOM 884 ND2 ASN A 55 3.711 18.610 -3.994 1.00 0.00 N ATOM 885 OXT ASN A 55 2.764 14.026 -6.549 1.00 0.00 O ATOM 0 H ASN A 55 1.781 17.215 -7.879 1.00 0.00 H new ATOM 0 HA ASN A 55 3.844 16.517 -6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.099 18.415 -5.952 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.048 17.201 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.189 18.800 -3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.976 19.117 -4.838 1.00 0.00 H new TER 892 ASN A 55 HETATM 893 ZN ZN A 56 2.528 -2.325 9.336 1.00 0.00 ZN HETATM 894 ZN ZN A 57 12.819 8.327 -12.454 1.00 0.00 ZN