USER MOD reduce.3.24.130724 H: found=0, std=0, add=256, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 254 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 Single : A 7 ASN : amide:sc= -0.752 K(o=-0.75,f=-3.1!) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -3.18 K(o=-3.2,f=-9.6!) USER MOD Single : A 13 ASN : amide:sc= -4.6! K(o=-4.6!,f=-2.3) USER MOD Single : A 14 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 1.05 (180deg=0.938) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 66:sc= 1.02 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -43:sc= 0.75 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 28 N GLY A 3 5.619 3.450 -1.242 1.00 0.00 N ATOM 29 CA GLY A 3 5.971 4.814 -1.595 1.00 0.00 C ATOM 30 C GLY A 3 4.741 5.723 -1.564 1.00 0.00 C ATOM 31 O GLY A 3 4.781 6.809 -0.986 1.00 0.00 O ATOM 0 HA2 GLY A 3 6.723 5.190 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 3 6.416 4.833 -2.590 1.00 0.00 H new ATOM 35 N CYS A 4 3.676 5.247 -2.192 1.00 0.00 N ATOM 36 CA CYS A 4 2.436 6.004 -2.244 1.00 0.00 C ATOM 37 C CYS A 4 1.778 5.941 -0.864 1.00 0.00 C ATOM 38 O CYS A 4 2.102 5.072 -0.057 1.00 0.00 O ATOM 39 CB CYS A 4 1.505 5.490 -3.344 1.00 0.00 C ATOM 40 SG CYS A 4 1.501 6.493 -4.875 1.00 0.00 S ATOM 0 H CYS A 4 3.646 4.346 -2.669 1.00 0.00 H new ATOM 0 HA CYS A 4 2.651 7.042 -2.497 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.792 4.469 -3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 4 0.489 5.448 -2.951 1.00 0.00 H new ATOM 45 N PRO A 5 0.842 6.899 -0.630 1.00 0.00 N ATOM 46 CA PRO A 5 0.518 7.891 -1.640 1.00 0.00 C ATOM 47 C PRO A 5 1.621 8.947 -1.745 1.00 0.00 C ATOM 48 O PRO A 5 2.431 9.097 -0.832 1.00 0.00 O ATOM 49 CB PRO A 5 -0.819 8.471 -1.207 1.00 0.00 C ATOM 50 CG PRO A 5 -0.970 8.119 0.264 1.00 0.00 C ATOM 51 CD PRO A 5 0.070 7.062 0.598 1.00 0.00 C ATOM 0 HA PRO A 5 0.447 7.465 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.842 9.551 -1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.635 8.051 -1.795 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.829 9.004 0.885 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.974 7.745 0.466 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.705 7.379 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.400 6.125 0.897 1.00 0.00 H new ATOM 59 N GLY A 6 1.616 9.651 -2.868 1.00 0.00 N ATOM 60 CA GLY A 6 2.606 10.688 -3.105 1.00 0.00 C ATOM 61 C GLY A 6 3.964 10.079 -3.460 1.00 0.00 C ATOM 62 O GLY A 6 4.982 10.437 -2.870 1.00 0.00 O ATOM 0 H GLY A 6 0.942 9.524 -3.623 1.00 0.00 H new ATOM 0 HA2 GLY A 6 2.272 11.337 -3.915 1.00 0.00 H new ATOM 0 HA3 GLY A 6 2.704 11.312 -2.217 1.00 0.00 H new ATOM 66 N ASN A 7 3.935 9.169 -4.423 1.00 0.00 N ATOM 67 CA ASN A 7 5.150 8.506 -4.863 1.00 0.00 C ATOM 68 C ASN A 7 4.787 7.361 -5.811 1.00 0.00 C ATOM 69 O ASN A 7 4.776 6.199 -5.410 1.00 0.00 O ATOM 70 CB ASN A 7 5.915 7.914 -3.678 1.00 0.00 C ATOM 71 CG ASN A 7 7.215 8.682 -3.426 1.00 0.00 C ATOM 72 OD1 ASN A 7 7.478 9.719 -4.013 1.00 0.00 O ATOM 73 ND2 ASN A 7 8.011 8.116 -2.522 1.00 0.00 N ATOM 0 H ASN A 7 3.089 8.876 -4.911 1.00 0.00 H new ATOM 0 HA ASN A 7 5.775 9.246 -5.362 1.00 0.00 H new ATOM 0 HB2 ASN A 7 5.291 7.946 -2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 7 6.140 6.865 -3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.902 8.551 -2.283 1.00 0.00 H new ATOM 0 HD22 ASN A 7 7.730 7.247 -2.068 1.00 0.00 H new ATOM 80 N GLN A 8 4.499 7.731 -7.051 1.00 0.00 N ATOM 81 CA GLN A 8 4.137 6.749 -8.059 1.00 0.00 C ATOM 82 C GLN A 8 5.384 6.265 -8.801 1.00 0.00 C ATOM 83 O GLN A 8 5.388 5.174 -9.369 1.00 0.00 O ATOM 84 CB GLN A 8 3.106 7.320 -9.034 1.00 0.00 C ATOM 85 CG GLN A 8 2.361 6.199 -9.763 1.00 0.00 C ATOM 86 CD GLN A 8 1.487 6.762 -10.885 1.00 0.00 C ATOM 87 OE1 GLN A 8 0.398 7.268 -10.666 1.00 0.00 O ATOM 88 NE2 GLN A 8 2.022 6.647 -12.097 1.00 0.00 N ATOM 0 H GLN A 8 4.509 8.696 -7.380 1.00 0.00 H new ATOM 0 HA GLN A 8 3.682 5.894 -7.559 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.394 7.943 -8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.604 7.963 -9.760 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.078 5.490 -10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.741 5.649 -9.055 1.00 0.00 H new ATOM 0 HE21 GLN A 8 2.938 6.213 -12.211 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.516 6.993 -12.913 1.00 0.00 H new ATOM 97 N LEU A 9 6.413 7.099 -8.771 1.00 0.00 N ATOM 98 CA LEU A 9 7.663 6.770 -9.433 1.00 0.00 C ATOM 99 C LEU A 9 8.443 5.773 -8.574 1.00 0.00 C ATOM 100 O LEU A 9 9.220 4.973 -9.095 1.00 0.00 O ATOM 101 CB LEU A 9 8.446 8.042 -9.764 1.00 0.00 C ATOM 102 CG LEU A 9 9.261 8.645 -8.617 1.00 0.00 C ATOM 103 CD1 LEU A 9 10.699 8.929 -9.055 1.00 0.00 C ATOM 104 CD2 LEU A 9 8.576 9.892 -8.055 1.00 0.00 C ATOM 0 H LEU A 9 6.406 8.003 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 9 7.471 6.285 -10.390 1.00 0.00 H new ATOM 0 HB2 LEU A 9 9.124 7.823 -10.589 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.743 8.796 -10.120 1.00 0.00 H new ATOM 0 HG LEU A 9 9.309 7.913 -7.811 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.256 9.357 -8.221 1.00 0.00 H new ATOM 0 HD12 LEU A 9 11.174 8.000 -9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 9 10.694 9.633 -9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.175 10.301 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.476 10.639 -8.843 1.00 0.00 H new ATOM 0 HD23 LEU A 9 7.588 9.626 -7.680 1.00 0.00 H new ATOM 116 N LYS A 10 8.210 5.853 -7.273 1.00 0.00 N ATOM 117 CA LYS A 10 8.881 4.967 -6.336 1.00 0.00 C ATOM 118 C LYS A 10 8.394 3.535 -6.557 1.00 0.00 C ATOM 119 O LYS A 10 9.100 2.579 -6.237 1.00 0.00 O ATOM 120 CB LYS A 10 8.697 5.466 -4.901 1.00 0.00 C ATOM 121 CG LYS A 10 10.023 5.441 -4.137 1.00 0.00 C ATOM 122 CD LYS A 10 9.822 4.933 -2.708 1.00 0.00 C ATOM 123 CE LYS A 10 11.155 4.517 -2.083 1.00 0.00 C ATOM 124 NZ LYS A 10 11.295 3.043 -2.090 1.00 0.00 N ATOM 0 H LYS A 10 7.566 6.518 -6.845 1.00 0.00 H new ATOM 0 HA LYS A 10 9.956 4.968 -6.513 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.299 6.481 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.965 4.843 -4.387 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.735 4.801 -4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 10 10.453 6.443 -4.114 1.00 0.00 H new ATOM 0 HD2 LYS A 10 9.360 5.713 -2.103 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.138 4.085 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 10 11.979 4.969 -2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 10 11.215 4.889 -1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 12.205 2.779 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.519 2.618 -1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.259 2.696 -3.070 1.00 0.00 H new ATOM 137 N CYS A 11 7.191 3.430 -7.101 1.00 0.00 N ATOM 138 CA CYS A 11 6.601 2.130 -7.369 1.00 0.00 C ATOM 139 C CYS A 11 7.281 1.538 -8.605 1.00 0.00 C ATOM 140 O CYS A 11 7.616 0.355 -8.627 1.00 0.00 O ATOM 141 CB CYS A 11 5.083 2.221 -7.541 1.00 0.00 C ATOM 142 SG CYS A 11 4.177 2.817 -6.067 1.00 0.00 S ATOM 0 H CYS A 11 6.608 4.225 -7.364 1.00 0.00 H new ATOM 0 HA CYS A 11 6.765 1.472 -6.516 1.00 0.00 H new ATOM 0 HB2 CYS A 11 4.866 2.886 -8.377 1.00 0.00 H new ATOM 0 HB3 CYS A 11 4.702 1.236 -7.810 1.00 0.00 H new ATOM 147 N ASN A 12 7.464 2.389 -9.604 1.00 0.00 N ATOM 148 CA ASN A 12 8.099 1.964 -10.841 1.00 0.00 C ATOM 149 C ASN A 12 9.537 1.532 -10.549 1.00 0.00 C ATOM 150 O ASN A 12 9.936 0.421 -10.893 1.00 0.00 O ATOM 151 CB ASN A 12 8.147 3.108 -11.855 1.00 0.00 C ATOM 152 CG ASN A 12 9.044 2.752 -13.042 1.00 0.00 C ATOM 153 OD1 ASN A 12 9.422 1.610 -13.246 1.00 0.00 O ATOM 154 ND2 ASN A 12 9.362 3.790 -13.811 1.00 0.00 N ATOM 0 H ASN A 12 7.184 3.370 -9.583 1.00 0.00 H new ATOM 0 HA ASN A 12 7.517 1.139 -11.253 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.140 3.327 -12.209 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.519 4.012 -11.372 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.957 3.656 -14.629 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.011 4.720 -13.583 1.00 0.00 H new ATOM 161 N ASN A 13 10.276 2.432 -9.916 1.00 0.00 N ATOM 162 CA ASN A 13 11.661 2.156 -9.575 1.00 0.00 C ATOM 163 C ASN A 13 11.731 0.876 -8.741 1.00 0.00 C ATOM 164 O ASN A 13 12.602 0.035 -8.961 1.00 0.00 O ATOM 165 CB ASN A 13 12.260 3.294 -8.745 1.00 0.00 C ATOM 166 CG ASN A 13 11.886 4.657 -9.332 1.00 0.00 C ATOM 167 OD1 ASN A 13 11.749 4.828 -10.533 1.00 0.00 O ATOM 168 ND2 ASN A 13 11.732 5.614 -8.422 1.00 0.00 N ATOM 0 H ASN A 13 9.942 3.352 -9.631 1.00 0.00 H new ATOM 0 HA ASN A 13 12.223 2.051 -10.503 1.00 0.00 H new ATOM 0 HB2 ASN A 13 11.903 3.226 -7.717 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.345 3.193 -8.713 1.00 0.00 H new ATOM 0 HD21 ASN A 13 11.484 6.560 -8.713 1.00 0.00 H new ATOM 0 HD22 ASN A 13 11.862 5.403 -7.433 1.00 0.00 H new ATOM 175 N HIS A 14 10.803 0.767 -7.802 1.00 0.00 N ATOM 176 CA HIS A 14 10.749 -0.396 -6.934 1.00 0.00 C ATOM 177 C HIS A 14 10.438 -1.642 -7.765 1.00 0.00 C ATOM 178 O HIS A 14 10.875 -2.742 -7.430 1.00 0.00 O ATOM 179 CB HIS A 14 9.751 -0.179 -5.795 1.00 0.00 C ATOM 180 CG HIS A 14 9.238 -1.458 -5.176 1.00 0.00 C ATOM 181 ND1 HIS A 14 9.882 -2.096 -4.130 1.00 0.00 N ATOM 182 CD2 HIS A 14 8.137 -2.208 -5.464 1.00 0.00 C ATOM 183 CE1 HIS A 14 9.193 -3.181 -3.813 1.00 0.00 C ATOM 184 NE2 HIS A 14 8.111 -3.249 -4.641 1.00 0.00 N ATOM 0 H HIS A 14 10.082 1.466 -7.623 1.00 0.00 H new ATOM 0 HA HIS A 14 11.720 -0.548 -6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 14 10.225 0.423 -5.020 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.905 0.395 -6.172 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.409 -1.992 -6.232 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.443 -3.888 -3.036 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.399 -3.980 -4.630 1.00 0.00 H new ATOM 192 N CYS A 15 9.685 -1.428 -8.834 1.00 0.00 N ATOM 193 CA CYS A 15 9.309 -2.520 -9.717 1.00 0.00 C ATOM 194 C CYS A 15 10.563 -2.994 -10.453 1.00 0.00 C ATOM 195 O CYS A 15 10.725 -4.187 -10.707 1.00 0.00 O ATOM 196 CB CYS A 15 8.199 -2.108 -10.686 1.00 0.00 C ATOM 197 SG CYS A 15 6.566 -1.834 -9.910 1.00 0.00 S ATOM 0 H CYS A 15 9.325 -0.514 -9.109 1.00 0.00 H new ATOM 0 HA CYS A 15 8.900 -3.342 -9.130 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.502 -1.193 -11.195 1.00 0.00 H new ATOM 0 HB3 CYS A 15 8.098 -2.879 -11.450 1.00 0.00 H new ATOM 202 N LYS A 16 11.420 -2.036 -10.776 1.00 0.00 N ATOM 203 CA LYS A 16 12.655 -2.341 -11.478 1.00 0.00 C ATOM 204 C LYS A 16 13.670 -2.918 -10.490 1.00 0.00 C ATOM 205 O LYS A 16 14.608 -3.607 -10.889 1.00 0.00 O ATOM 206 CB LYS A 16 13.161 -1.109 -12.232 1.00 0.00 C ATOM 207 CG LYS A 16 12.010 -0.157 -12.561 1.00 0.00 C ATOM 208 CD LYS A 16 12.261 0.569 -13.885 1.00 0.00 C ATOM 209 CE LYS A 16 12.531 -0.428 -15.014 1.00 0.00 C ATOM 210 NZ LYS A 16 11.797 -0.035 -16.238 1.00 0.00 N ATOM 0 H LYS A 16 11.283 -1.048 -10.564 1.00 0.00 H new ATOM 0 HA LYS A 16 12.483 -3.103 -12.238 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.906 -0.590 -11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 16 13.656 -1.419 -13.152 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.076 -0.716 -12.620 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.895 0.572 -11.759 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.397 1.183 -14.137 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.111 1.243 -13.779 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.600 -0.471 -15.222 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.226 -1.428 -14.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 11.950 -0.749 -16.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.781 0.032 -16.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.144 0.888 -16.569 1.00 0.00 H new ATOM 223 N SER A 17 13.448 -2.616 -9.220 1.00 0.00 N ATOM 224 CA SER A 17 14.331 -3.096 -8.170 1.00 0.00 C ATOM 225 C SER A 17 13.978 -4.540 -7.809 1.00 0.00 C ATOM 226 O SER A 17 14.861 -5.344 -7.515 1.00 0.00 O ATOM 227 CB SER A 17 14.250 -2.203 -6.930 1.00 0.00 C ATOM 228 OG SER A 17 15.064 -1.040 -7.055 1.00 0.00 O ATOM 0 H SER A 17 12.669 -2.044 -8.893 1.00 0.00 H new ATOM 0 HA SER A 17 15.355 -3.061 -8.542 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.215 -1.905 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.562 -2.771 -6.053 1.00 0.00 H new ATOM 0 HG SER A 17 14.983 -0.496 -6.244 1.00 0.00 H new ATOM 234 N ILE A 18 12.685 -4.825 -7.842 1.00 0.00 N ATOM 235 CA ILE A 18 12.204 -6.158 -7.521 1.00 0.00 C ATOM 236 C ILE A 18 12.461 -7.088 -8.709 1.00 0.00 C ATOM 237 O ILE A 18 13.120 -8.116 -8.566 1.00 0.00 O ATOM 238 CB ILE A 18 10.739 -6.109 -7.084 1.00 0.00 C ATOM 239 CG1 ILE A 18 9.828 -5.756 -8.262 1.00 0.00 C ATOM 240 CG2 ILE A 18 10.550 -5.152 -5.907 1.00 0.00 C ATOM 241 CD1 ILE A 18 8.401 -5.471 -7.785 1.00 0.00 C ATOM 0 H ILE A 18 11.955 -4.156 -8.086 1.00 0.00 H new ATOM 0 HA ILE A 18 12.752 -6.566 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 18 10.451 -7.102 -6.740 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.222 -4.883 -8.783 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.819 -6.578 -8.978 1.00 0.00 H new ATOM 0 HG21 ILE A 18 9.500 -5.136 -5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 18 11.155 -5.488 -5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.861 -4.149 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.774 -5.223 -8.641 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.001 -6.354 -7.286 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.411 -4.633 -7.088 1.00 0.00 H new ATOM 253 N SER A 19 11.926 -6.692 -9.856 1.00 0.00 N ATOM 254 CA SER A 19 12.089 -7.477 -11.067 1.00 0.00 C ATOM 255 C SER A 19 10.885 -7.271 -11.990 1.00 0.00 C ATOM 256 O SER A 19 10.128 -8.206 -12.246 1.00 0.00 O ATOM 257 CB SER A 19 12.260 -8.962 -10.743 1.00 0.00 C ATOM 258 OG SER A 19 13.629 -9.316 -10.572 1.00 0.00 O ATOM 0 H SER A 19 11.380 -5.838 -9.971 1.00 0.00 H new ATOM 0 HA SER A 19 12.992 -7.138 -11.575 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.707 -9.201 -9.834 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.828 -9.560 -11.545 1.00 0.00 H new ATOM 0 HG SER A 19 13.986 -8.868 -9.777 1.00 0.00 H new ATOM 264 N CYS A 20 10.747 -6.041 -12.462 1.00 0.00 N ATOM 265 CA CYS A 20 9.649 -5.700 -13.352 1.00 0.00 C ATOM 266 C CYS A 20 10.067 -4.491 -14.190 1.00 0.00 C ATOM 267 O CYS A 20 11.219 -4.064 -14.139 1.00 0.00 O ATOM 268 CB CYS A 20 8.355 -5.438 -12.577 1.00 0.00 C ATOM 269 SG CYS A 20 7.281 -6.903 -12.359 1.00 0.00 S ATOM 0 H CYS A 20 11.377 -5.268 -12.245 1.00 0.00 H new ATOM 0 HA CYS A 20 9.437 -6.541 -14.012 1.00 0.00 H new ATOM 0 HB2 CYS A 20 8.611 -5.043 -11.594 1.00 0.00 H new ATOM 0 HB3 CYS A 20 7.789 -4.664 -13.094 1.00 0.00 H new ATOM 274 N ARG A 21 9.108 -3.973 -14.943 1.00 0.00 N ATOM 275 CA ARG A 21 9.362 -2.821 -15.792 1.00 0.00 C ATOM 276 C ARG A 21 8.933 -1.535 -15.083 1.00 0.00 C ATOM 277 O ARG A 21 9.760 -0.667 -14.807 1.00 0.00 O ATOM 278 CB ARG A 21 8.612 -2.939 -17.119 1.00 0.00 C ATOM 279 CG ARG A 21 9.256 -3.992 -18.022 1.00 0.00 C ATOM 280 CD ARG A 21 9.394 -3.475 -19.456 1.00 0.00 C ATOM 281 NE ARG A 21 10.825 -3.329 -19.806 1.00 0.00 N ATOM 282 CZ ARG A 21 11.270 -2.738 -20.935 1.00 0.00 C ATOM 283 NH1 ARG A 21 10.399 -2.233 -21.835 1.00 0.00 N ATOM 284 NH2 ARG A 21 12.571 -2.661 -21.147 1.00 0.00 N ATOM 0 H ARG A 21 8.153 -4.330 -14.983 1.00 0.00 H new ATOM 0 HA ARG A 21 10.432 -2.788 -15.995 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.572 -3.204 -16.930 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.608 -1.974 -17.626 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.238 -4.259 -17.632 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.653 -4.900 -18.015 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.910 -4.164 -20.148 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.887 -2.515 -19.556 1.00 0.00 H new ATOM 0 HE ARG A 21 11.517 -3.698 -19.154 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.395 -2.296 -21.664 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.745 -1.788 -22.685 1.00 0.00 H new ATOM 0 HH21 ARG A 21 13.223 -3.045 -20.463 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.924 -2.218 -21.995 1.00 0.00 H new ATOM 297 N ALA A 22 7.639 -1.451 -14.809 1.00 0.00 N ATOM 298 CA ALA A 22 7.090 -0.286 -14.137 1.00 0.00 C ATOM 299 C ALA A 22 5.632 -0.558 -13.764 1.00 0.00 C ATOM 300 O ALA A 22 4.937 -1.298 -14.457 1.00 0.00 O ATOM 301 CB ALA A 22 7.241 0.941 -15.040 1.00 0.00 C ATOM 0 H ALA A 22 6.955 -2.171 -15.040 1.00 0.00 H new ATOM 0 HA ALA A 22 7.634 -0.083 -13.215 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.829 1.816 -14.537 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.297 1.108 -15.253 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.704 0.774 -15.974 1.00 0.00 H new ATOM 307 N GLY A 23 5.211 0.055 -12.667 1.00 0.00 N ATOM 308 CA GLY A 23 3.848 -0.111 -12.192 1.00 0.00 C ATOM 309 C GLY A 23 3.220 1.239 -11.844 1.00 0.00 C ATOM 310 O GLY A 23 3.354 2.203 -12.596 1.00 0.00 O ATOM 0 H GLY A 23 5.791 0.668 -12.093 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.251 -0.607 -12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.841 -0.756 -11.314 1.00 0.00 H new ATOM 314 N TYR A 24 2.546 1.266 -10.703 1.00 0.00 N ATOM 315 CA TYR A 24 1.895 2.482 -10.247 1.00 0.00 C ATOM 316 C TYR A 24 1.173 2.252 -8.918 1.00 0.00 C ATOM 317 O TYR A 24 1.369 1.225 -8.271 1.00 0.00 O ATOM 318 CB TYR A 24 0.864 2.838 -11.319 1.00 0.00 C ATOM 319 CG TYR A 24 -0.110 1.705 -11.645 1.00 0.00 C ATOM 320 CD1 TYR A 24 -1.012 1.275 -10.693 1.00 0.00 C ATOM 321 CD2 TYR A 24 -0.089 1.113 -12.892 1.00 0.00 C ATOM 322 CE1 TYR A 24 -1.930 0.207 -10.999 1.00 0.00 C ATOM 323 CE2 TYR A 24 -1.007 0.046 -13.198 1.00 0.00 C ATOM 324 CZ TYR A 24 -1.882 -0.354 -12.237 1.00 0.00 C ATOM 325 OH TYR A 24 -2.748 -1.361 -12.526 1.00 0.00 O ATOM 0 H TYR A 24 2.437 0.465 -10.081 1.00 0.00 H new ATOM 0 HA TYR A 24 2.628 3.274 -10.094 1.00 0.00 H new ATOM 0 HB2 TYR A 24 0.296 3.708 -10.988 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.387 3.127 -12.230 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.030 1.739 -9.718 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.616 1.450 -13.638 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.640 -0.140 -10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.000 -0.426 -14.169 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.601 -1.665 -13.446 1.00 0.00 H new ATOM 335 N CYS A 25 0.352 3.226 -8.550 1.00 0.00 N ATOM 336 CA CYS A 25 -0.400 3.142 -7.311 1.00 0.00 C ATOM 337 C CYS A 25 -1.874 2.924 -7.657 1.00 0.00 C ATOM 338 O CYS A 25 -2.465 3.710 -8.396 1.00 0.00 O ATOM 339 CB CYS A 25 -0.197 4.384 -6.441 1.00 0.00 C ATOM 340 SG CYS A 25 1.549 4.877 -6.203 1.00 0.00 S ATOM 0 H CYS A 25 0.192 4.077 -9.089 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.038 2.301 -6.720 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.737 5.217 -6.890 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.645 4.203 -5.464 1.00 0.00 H new ATOM 345 N ASP A 26 -2.426 1.852 -7.107 1.00 0.00 N ATOM 346 CA ASP A 26 -3.820 1.520 -7.349 1.00 0.00 C ATOM 347 C ASP A 26 -4.646 2.807 -7.388 1.00 0.00 C ATOM 348 O ASP A 26 -5.036 3.330 -6.345 1.00 0.00 O ATOM 349 CB ASP A 26 -4.377 0.634 -6.233 1.00 0.00 C ATOM 350 CG ASP A 26 -4.868 -0.743 -6.685 1.00 0.00 C ATOM 351 OD1 ASP A 26 -6.079 -0.993 -6.769 1.00 0.00 O ATOM 352 OD2 ASP A 26 -3.936 -1.591 -6.961 1.00 0.00 O ATOM 0 H ASP A 26 -1.933 1.202 -6.495 1.00 0.00 H new ATOM 0 HA ASP A 26 -3.880 0.986 -8.297 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -3.603 0.497 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.203 1.158 -5.752 1.00 0.00 H new ATOM 358 N ALA A 27 -4.890 3.279 -8.602 1.00 0.00 N ATOM 359 CA ALA A 27 -5.664 4.495 -8.790 1.00 0.00 C ATOM 360 C ALA A 27 -7.124 4.227 -8.417 1.00 0.00 C ATOM 361 O ALA A 27 -7.944 5.145 -8.409 1.00 0.00 O ATOM 362 CB ALA A 27 -5.509 4.979 -10.233 1.00 0.00 C ATOM 0 H ALA A 27 -4.566 2.842 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.298 5.289 -8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.089 5.891 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.458 5.182 -10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.870 4.209 -10.916 1.00 0.00 H new ATOM 368 N ALA A 28 -7.403 2.968 -8.118 1.00 0.00 N ATOM 369 CA ALA A 28 -8.750 2.569 -7.746 1.00 0.00 C ATOM 370 C ALA A 28 -8.821 2.381 -6.229 1.00 0.00 C ATOM 371 O ALA A 28 -9.860 1.996 -5.696 1.00 0.00 O ATOM 372 CB ALA A 28 -9.136 1.299 -8.509 1.00 0.00 C ATOM 0 H ALA A 28 -6.720 2.210 -8.125 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.468 3.343 -8.017 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.146 1.000 -8.230 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.098 1.493 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.439 0.499 -8.260 1.00 0.00 H new ATOM 378 N THR A 29 -7.702 2.662 -5.578 1.00 0.00 N ATOM 379 CA THR A 29 -7.623 2.529 -4.132 1.00 0.00 C ATOM 380 C THR A 29 -7.121 3.829 -3.504 1.00 0.00 C ATOM 381 O THR A 29 -6.487 3.809 -2.450 1.00 0.00 O ATOM 382 CB THR A 29 -6.740 1.320 -3.816 1.00 0.00 C ATOM 383 OG1 THR A 29 -7.294 0.790 -2.615 1.00 0.00 O ATOM 384 CG2 THR A 29 -5.317 1.722 -3.425 1.00 0.00 C ATOM 0 H THR A 29 -6.842 2.981 -6.025 1.00 0.00 H new ATOM 0 HA THR A 29 -8.607 2.354 -3.696 1.00 0.00 H new ATOM 0 HB THR A 29 -6.706 0.659 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.782 0.001 -2.339 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.732 0.828 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.855 2.270 -4.246 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.348 2.356 -2.539 1.00 0.00 H new ATOM 392 N LEU A 30 -7.425 4.930 -4.176 1.00 0.00 N ATOM 393 CA LEU A 30 -7.012 6.238 -3.696 1.00 0.00 C ATOM 394 C LEU A 30 -5.485 6.331 -3.734 1.00 0.00 C ATOM 395 O LEU A 30 -4.884 7.057 -2.942 1.00 0.00 O ATOM 396 CB LEU A 30 -7.611 6.516 -2.317 1.00 0.00 C ATOM 397 CG LEU A 30 -9.058 6.065 -2.111 1.00 0.00 C ATOM 398 CD1 LEU A 30 -9.461 6.171 -0.639 1.00 0.00 C ATOM 399 CD2 LEU A 30 -10.010 6.842 -3.023 1.00 0.00 C ATOM 0 H LEU A 30 -7.952 4.943 -5.049 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.396 7.022 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.989 6.027 -1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.555 7.588 -2.128 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.131 5.014 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.494 5.844 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.809 5.538 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.368 7.206 -0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.032 6.502 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.941 7.906 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.736 6.672 -4.064 1.00 0.00 H new ATOM 411 N TRP A 31 -4.901 5.588 -4.661 1.00 0.00 N ATOM 412 CA TRP A 31 -3.455 5.577 -4.812 1.00 0.00 C ATOM 413 C TRP A 31 -2.839 5.307 -3.438 1.00 0.00 C ATOM 414 O TRP A 31 -2.590 6.236 -2.672 1.00 0.00 O ATOM 415 CB TRP A 31 -2.961 6.880 -5.443 1.00 0.00 C ATOM 416 CG TRP A 31 -3.349 7.047 -6.914 1.00 0.00 C ATOM 417 CD1 TRP A 31 -2.566 6.911 -7.993 1.00 0.00 C ATOM 418 CD2 TRP A 31 -4.654 7.387 -7.426 1.00 0.00 C ATOM 419 NE1 TRP A 31 -3.268 7.137 -9.159 1.00 0.00 N ATOM 420 CE2 TRP A 31 -4.578 7.436 -8.804 1.00 0.00 C ATOM 421 CE3 TRP A 31 -5.859 7.644 -6.750 1.00 0.00 C ATOM 422 CZ2 TRP A 31 -5.674 7.740 -9.621 1.00 0.00 C ATOM 423 CZ3 TRP A 31 -6.944 7.946 -7.580 1.00 0.00 C ATOM 424 CH2 TRP A 31 -6.884 8.000 -8.967 1.00 0.00 C ATOM 0 H TRP A 31 -5.402 4.988 -5.316 1.00 0.00 H new ATOM 0 HA TRP A 31 -3.144 4.786 -5.495 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -3.360 7.721 -4.875 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -1.875 6.924 -5.357 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -1.517 6.656 -7.955 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.894 7.093 -10.107 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.941 7.611 -5.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.590 7.772 -10.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -7.894 8.151 -7.110 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -7.768 8.242 -9.539 1.00 0.00 H new ATOM 435 N LEU A 32 -2.610 4.029 -3.170 1.00 0.00 N ATOM 436 CA LEU A 32 -2.027 3.625 -1.902 1.00 0.00 C ATOM 437 C LEU A 32 -1.072 2.453 -2.135 1.00 0.00 C ATOM 438 O LEU A 32 0.065 2.470 -1.666 1.00 0.00 O ATOM 439 CB LEU A 32 -3.124 3.329 -0.878 1.00 0.00 C ATOM 440 CG LEU A 32 -3.762 4.547 -0.207 1.00 0.00 C ATOM 441 CD1 LEU A 32 -4.758 4.120 0.874 1.00 0.00 C ATOM 442 CD2 LEU A 32 -2.692 5.493 0.342 1.00 0.00 C ATOM 0 H LEU A 32 -2.818 3.261 -3.809 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.438 4.438 -1.478 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.910 2.758 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.705 2.689 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.323 5.098 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.197 5.005 1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.546 3.516 0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.241 3.534 1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.172 6.350 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.084 4.967 1.078 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.057 5.837 -0.474 1.00 0.00 H new ATOM 454 N ARG A 33 -1.568 1.462 -2.862 1.00 0.00 N ATOM 455 CA ARG A 33 -0.774 0.284 -3.164 1.00 0.00 C ATOM 456 C ARG A 33 0.316 0.625 -4.182 1.00 0.00 C ATOM 457 O ARG A 33 0.375 1.748 -4.681 1.00 0.00 O ATOM 458 CB ARG A 33 -1.647 -0.842 -3.721 1.00 0.00 C ATOM 459 CG ARG A 33 -1.438 -2.138 -2.934 1.00 0.00 C ATOM 460 CD ARG A 33 -2.541 -3.151 -3.245 1.00 0.00 C ATOM 461 NE ARG A 33 -1.962 -4.346 -3.899 1.00 0.00 N ATOM 462 CZ ARG A 33 -2.694 -5.363 -4.401 1.00 0.00 C ATOM 463 NH1 ARG A 33 -4.041 -5.338 -4.331 1.00 0.00 N ATOM 464 NH2 ARG A 33 -2.070 -6.382 -4.965 1.00 0.00 N ATOM 0 H ARG A 33 -2.511 1.451 -3.251 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.316 -0.053 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -2.696 -0.550 -3.676 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.407 -1.007 -4.771 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -0.466 -2.565 -3.181 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.428 -1.922 -1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.050 -3.440 -2.326 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.290 -2.698 -3.895 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.947 -4.405 -3.975 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.514 -4.546 -3.896 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -4.586 -6.111 -4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.051 -6.391 -5.016 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.607 -7.159 -5.350 1.00 0.00 H new ATOM 477 N CYS A 34 1.152 -0.364 -4.460 1.00 0.00 N ATOM 478 CA CYS A 34 2.237 -0.182 -5.410 1.00 0.00 C ATOM 479 C CYS A 34 2.305 -1.422 -6.304 1.00 0.00 C ATOM 480 O CYS A 34 3.062 -2.351 -6.026 1.00 0.00 O ATOM 481 CB CYS A 34 3.568 0.087 -4.705 1.00 0.00 C ATOM 482 SG CYS A 34 4.042 1.852 -4.607 1.00 0.00 S ATOM 0 H CYS A 34 1.100 -1.294 -4.044 1.00 0.00 H new ATOM 0 HA CYS A 34 2.043 0.698 -6.024 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.516 -0.317 -3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.355 -0.458 -5.226 1.00 0.00 H new ATOM 487 N THR A 35 1.506 -1.395 -7.360 1.00 0.00 N ATOM 488 CA THR A 35 1.467 -2.505 -8.297 1.00 0.00 C ATOM 489 C THR A 35 2.652 -2.432 -9.260 1.00 0.00 C ATOM 490 O THR A 35 3.274 -1.381 -9.408 1.00 0.00 O ATOM 491 CB THR A 35 0.109 -2.480 -9.002 1.00 0.00 C ATOM 492 OG1 THR A 35 -0.369 -3.817 -8.883 1.00 0.00 O ATOM 493 CG2 THR A 35 0.237 -2.263 -10.511 1.00 0.00 C ATOM 0 H THR A 35 0.880 -0.622 -7.588 1.00 0.00 H new ATOM 0 HA THR A 35 1.566 -3.461 -7.782 1.00 0.00 H new ATOM 0 HB THR A 35 -0.508 -1.691 -8.573 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.247 -3.890 -9.312 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.755 -2.254 -10.963 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.731 -1.310 -10.701 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.826 -3.070 -10.946 1.00 0.00 H new ATOM 501 N CYS A 36 2.933 -3.564 -9.890 1.00 0.00 N ATOM 502 CA CYS A 36 4.033 -3.642 -10.834 1.00 0.00 C ATOM 503 C CYS A 36 3.512 -4.269 -12.129 1.00 0.00 C ATOM 504 O CYS A 36 3.050 -5.409 -12.129 1.00 0.00 O ATOM 505 CB CYS A 36 5.218 -4.422 -10.260 1.00 0.00 C ATOM 506 SG CYS A 36 6.113 -3.571 -8.909 1.00 0.00 S ATOM 0 H CYS A 36 2.417 -4.435 -9.764 1.00 0.00 H new ATOM 0 HA CYS A 36 4.408 -2.640 -11.041 1.00 0.00 H new ATOM 0 HB2 CYS A 36 4.858 -5.382 -9.890 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.921 -4.633 -11.066 1.00 0.00 H new ATOM 511 N THR A 37 3.603 -3.496 -13.202 1.00 0.00 N ATOM 512 CA THR A 37 3.145 -3.963 -14.500 1.00 0.00 C ATOM 513 C THR A 37 4.332 -4.146 -15.448 1.00 0.00 C ATOM 514 O THR A 37 5.346 -3.462 -15.320 1.00 0.00 O ATOM 515 CB THR A 37 2.102 -2.971 -15.018 1.00 0.00 C ATOM 516 OG1 THR A 37 2.872 -1.857 -15.464 1.00 0.00 O ATOM 517 CG2 THR A 37 1.232 -2.397 -13.897 1.00 0.00 C ATOM 0 H THR A 37 3.987 -2.551 -13.199 1.00 0.00 H new ATOM 0 HA THR A 37 2.674 -4.943 -14.425 1.00 0.00 H new ATOM 0 HB THR A 37 1.467 -3.464 -15.754 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.573 -1.660 -14.808 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.509 -1.699 -14.319 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.704 -3.208 -13.395 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.863 -1.875 -13.178 1.00 0.00 H new ATOM 525 N ASP A 38 4.165 -5.072 -16.381 1.00 0.00 N ATOM 526 CA ASP A 38 5.211 -5.354 -17.351 1.00 0.00 C ATOM 527 C ASP A 38 6.471 -5.812 -16.617 1.00 0.00 C ATOM 528 O ASP A 38 7.066 -5.046 -15.859 1.00 0.00 O ATOM 529 CB ASP A 38 5.561 -4.104 -18.161 1.00 0.00 C ATOM 530 CG ASP A 38 4.644 -3.828 -19.353 1.00 0.00 C ATOM 531 OD1 ASP A 38 3.820 -4.672 -19.735 1.00 0.00 O ATOM 532 OD2 ASP A 38 4.802 -2.673 -19.907 1.00 0.00 O ATOM 0 H ASP A 38 3.322 -5.636 -16.486 1.00 0.00 H new ATOM 0 HA ASP A 38 4.847 -6.130 -18.025 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.538 -3.240 -17.496 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.584 -4.199 -18.524 1.00 0.00 H new ATOM 538 N CYS A 39 6.845 -7.058 -16.868 1.00 0.00 N ATOM 539 CA CYS A 39 8.025 -7.627 -16.240 1.00 0.00 C ATOM 540 C CYS A 39 8.786 -8.436 -17.292 1.00 0.00 C ATOM 541 O CYS A 39 8.180 -9.013 -18.194 1.00 0.00 O ATOM 542 CB CYS A 39 7.664 -8.475 -15.019 1.00 0.00 C ATOM 543 SG CYS A 39 6.559 -7.653 -13.814 1.00 0.00 S ATOM 0 H CYS A 39 6.351 -7.690 -17.498 1.00 0.00 H new ATOM 0 HA CYS A 39 8.663 -6.826 -15.867 1.00 0.00 H new ATOM 0 HB2 CYS A 39 7.187 -9.394 -15.360 1.00 0.00 H new ATOM 0 HB3 CYS A 39 8.584 -8.763 -14.510 1.00 0.00 H new ATOM 548 N ASN A 40 10.103 -8.454 -17.142 1.00 0.00 N ATOM 549 CA ASN A 40 10.952 -9.183 -18.067 1.00 0.00 C ATOM 550 C ASN A 40 11.232 -10.579 -17.504 1.00 0.00 C ATOM 551 O ASN A 40 12.328 -10.845 -17.014 1.00 0.00 O ATOM 552 CB ASN A 40 12.293 -8.474 -18.259 1.00 0.00 C ATOM 553 CG ASN A 40 12.275 -7.596 -19.513 1.00 0.00 C ATOM 554 OD1 ASN A 40 11.288 -6.958 -19.841 1.00 0.00 O ATOM 555 ND2 ASN A 40 13.418 -7.598 -20.192 1.00 0.00 N ATOM 0 H ASN A 40 10.602 -7.975 -16.393 1.00 0.00 H new ATOM 0 HA ASN A 40 10.435 -9.242 -19.025 1.00 0.00 H new ATOM 0 HB2 ASN A 40 12.513 -7.861 -17.385 1.00 0.00 H new ATOM 0 HB3 ASN A 40 13.091 -9.213 -18.339 1.00 0.00 H new ATOM 0 HD21 ASN A 40 13.507 -7.043 -21.043 1.00 0.00 H new ATOM 0 HD22 ASN A 40 14.206 -8.155 -19.862 1.00 0.00 H new