USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 270 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 5 ASN : amide:sc= -0.634 K(o=-0.63,f=-2.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -46:sc= 0.0269 USER MOD Single : A 11 SER OG : rot 180:sc=-0.00941 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.137) USER MOD Single : A 19 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.0762) USER MOD Single : A 23 MET CE :methyl -105:sc= -0.128 (180deg=-2.59!) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0909) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.59) USER MOD Single : A 32 LYS NZ :NH3+ 169:sc=-0.00158 (180deg=-0.146) USER MOD Single : A 34 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.46) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -172:sc=-0.00182 (180deg=-0.0896) USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 3 -3.145 -2.197 6.027 1.00 0.00 N ATOM 26 CA GLU A 3 -3.467 -1.633 4.717 1.00 0.00 C ATOM 27 C GLU A 3 -4.197 -0.307 4.873 1.00 0.00 C ATOM 28 O GLU A 3 -5.091 -0.160 5.705 1.00 0.00 O ATOM 29 CB GLU A 3 -4.331 -2.628 3.932 1.00 0.00 C ATOM 30 CG GLU A 3 -5.657 -2.988 4.616 1.00 0.00 C ATOM 31 CD GLU A 3 -6.451 -3.946 3.748 1.00 0.00 C ATOM 32 OE1 GLU A 3 -6.570 -3.816 2.531 1.00 0.00 O ATOM 33 OE2 GLU A 3 -7.009 -4.960 4.481 1.00 0.00 O ATOM 0 HA GLU A 3 -2.542 -1.450 4.170 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.545 -2.209 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.758 -3.541 3.772 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.462 -3.442 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.238 -2.084 4.798 1.00 0.00 H new ATOM 41 N ILE A 4 -3.809 0.672 4.073 1.00 0.00 N ATOM 42 CA ILE A 4 -4.473 1.972 4.167 1.00 0.00 C ATOM 43 C ILE A 4 -5.802 1.830 3.435 1.00 0.00 C ATOM 44 O ILE A 4 -5.975 0.937 2.607 1.00 0.00 O ATOM 45 CB ILE A 4 -3.586 3.095 3.616 1.00 0.00 C ATOM 46 CG1 ILE A 4 -3.080 2.811 2.194 1.00 0.00 C ATOM 47 CG2 ILE A 4 -2.418 3.277 4.587 1.00 0.00 C ATOM 48 CD1 ILE A 4 -2.414 4.039 1.571 1.00 0.00 C ATOM 0 H ILE A 4 -3.068 0.604 3.375 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.657 2.258 5.203 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.175 4.009 3.538 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.368 1.986 2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.914 2.493 1.568 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.764 4.071 4.225 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.802 3.544 5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.855 2.347 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.070 3.796 0.566 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.133 4.857 1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.563 4.341 2.182 1.00 0.00 H new ATOM 60 N ASN A 5 -6.748 2.709 3.722 1.00 0.00 N ATOM 61 CA ASN A 5 -8.050 2.618 3.053 1.00 0.00 C ATOM 62 C ASN A 5 -8.078 3.284 1.679 1.00 0.00 C ATOM 63 O ASN A 5 -8.687 4.337 1.496 1.00 0.00 O ATOM 64 CB ASN A 5 -9.098 3.250 3.969 1.00 0.00 C ATOM 65 CG ASN A 5 -8.692 4.635 4.457 1.00 0.00 C ATOM 66 OD1 ASN A 5 -7.951 5.375 3.811 1.00 0.00 O ATOM 67 ND2 ASN A 5 -9.184 5.003 5.626 1.00 0.00 N ATOM 0 H ASN A 5 -6.653 3.473 4.391 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.263 1.564 2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.046 3.320 3.436 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.263 2.600 4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.952 5.918 6.012 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.796 4.372 6.143 1.00 0.00 H new ATOM 74 N VAL A 6 -7.425 2.663 0.698 1.00 0.00 N ATOM 75 CA VAL A 6 -7.392 3.218 -0.666 1.00 0.00 C ATOM 76 C VAL A 6 -7.457 2.015 -1.599 1.00 0.00 C ATOM 77 O VAL A 6 -6.707 1.050 -1.459 1.00 0.00 O ATOM 78 CB VAL A 6 -6.088 3.955 -1.030 1.00 0.00 C ATOM 79 CG1 VAL A 6 -6.243 4.711 -2.350 1.00 0.00 C ATOM 80 CG2 VAL A 6 -5.600 4.979 -0.005 1.00 0.00 C ATOM 0 H VAL A 6 -6.916 1.787 0.813 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.208 3.937 -0.747 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.353 3.152 -1.081 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.311 5.224 -2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.483 4.007 -3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.046 5.442 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.677 5.438 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.360 5.749 0.130 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.415 4.481 0.947 1.00 0.00 H new ATOM 90 N LYS A 7 -8.371 2.063 -2.551 1.00 0.00 N ATOM 91 CA LYS A 7 -8.493 0.947 -3.490 1.00 0.00 C ATOM 92 C LYS A 7 -7.429 1.166 -4.554 1.00 0.00 C ATOM 93 O LYS A 7 -7.394 2.222 -5.184 1.00 0.00 O ATOM 94 CB LYS A 7 -9.882 0.938 -4.126 1.00 0.00 C ATOM 95 CG LYS A 7 -10.966 0.635 -3.094 1.00 0.00 C ATOM 96 CD LYS A 7 -12.330 0.548 -3.772 1.00 0.00 C ATOM 97 CE LYS A 7 -13.416 0.238 -2.746 1.00 0.00 C ATOM 98 NZ LYS A 7 -14.723 0.156 -3.414 1.00 0.00 N ATOM 0 H LYS A 7 -9.024 2.833 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.359 -0.010 -2.986 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.078 1.905 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.915 0.192 -4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.743 -0.304 -2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.980 1.414 -2.331 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.554 1.489 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.313 -0.227 -4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.195 -0.703 -2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.437 1.013 -1.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -15.460 -0.055 -2.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.935 1.064 -3.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -14.701 -0.599 -4.129 1.00 0.00 H new ATOM 111 N CYS A 8 -6.574 0.175 -4.774 1.00 0.00 N ATOM 112 CA CYS A 8 -5.525 0.346 -5.784 1.00 0.00 C ATOM 113 C CYS A 8 -5.937 -0.077 -7.183 1.00 0.00 C ATOM 114 O CYS A 8 -7.077 -0.441 -7.470 1.00 0.00 O ATOM 115 CB CYS A 8 -4.312 -0.479 -5.360 1.00 0.00 C ATOM 116 SG CYS A 8 -4.488 -2.221 -5.796 1.00 0.00 S ATOM 0 H CYS A 8 -6.578 -0.723 -4.291 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.306 1.412 -5.836 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.417 -0.076 -5.834 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.171 -0.388 -4.283 1.00 0.00 H new ATOM 121 N SER A 9 -4.932 -0.037 -8.039 1.00 0.00 N ATOM 122 CA SER A 9 -5.115 -0.410 -9.437 1.00 0.00 C ATOM 123 C SER A 9 -3.840 -1.134 -9.824 1.00 0.00 C ATOM 124 O SER A 9 -3.549 -1.409 -10.987 1.00 0.00 O ATOM 125 CB SER A 9 -5.254 0.876 -10.228 1.00 0.00 C ATOM 126 OG SER A 9 -5.744 0.605 -11.533 1.00 0.00 O ATOM 0 H SER A 9 -3.983 0.248 -7.796 1.00 0.00 H new ATOM 0 HA SER A 9 -5.989 -1.036 -9.618 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.932 1.556 -9.712 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.288 1.377 -10.292 1.00 0.00 H new ATOM 0 HG SER A 9 -5.253 -0.151 -11.916 1.00 0.00 H new ATOM 132 N GLY A 10 -3.086 -1.435 -8.782 1.00 0.00 N ATOM 133 CA GLY A 10 -1.816 -2.135 -8.967 1.00 0.00 C ATOM 134 C GLY A 10 -0.801 -1.721 -7.911 1.00 0.00 C ATOM 135 O GLY A 10 -0.932 -0.679 -7.271 1.00 0.00 O ATOM 0 H GLY A 10 -3.320 -1.213 -7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.980 -3.211 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.420 -1.920 -9.960 1.00 0.00 H new ATOM 139 N SER A 11 0.200 -2.567 -7.716 1.00 0.00 N ATOM 140 CA SER A 11 1.246 -2.258 -6.726 1.00 0.00 C ATOM 141 C SER A 11 2.005 -0.916 -6.941 1.00 0.00 C ATOM 142 O SER A 11 2.187 -0.220 -5.939 1.00 0.00 O ATOM 143 CB SER A 11 2.166 -3.461 -6.548 1.00 0.00 C ATOM 144 OG SER A 11 2.915 -3.708 -7.729 1.00 0.00 O ATOM 0 H SER A 11 0.318 -3.452 -8.210 1.00 0.00 H new ATOM 0 HA SER A 11 0.729 -2.073 -5.784 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.844 -3.284 -5.713 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.575 -4.342 -6.297 1.00 0.00 H new ATOM 0 HG SER A 11 3.499 -4.483 -7.590 1.00 0.00 H new ATOM 150 N PRO A 12 2.404 -0.353 -8.114 1.00 0.00 N ATOM 151 CA PRO A 12 3.106 0.946 -8.116 1.00 0.00 C ATOM 152 C PRO A 12 2.223 2.152 -7.736 1.00 0.00 C ATOM 153 O PRO A 12 2.740 3.231 -7.454 1.00 0.00 O ATOM 154 CB PRO A 12 3.694 1.085 -9.521 1.00 0.00 C ATOM 155 CG PRO A 12 2.997 0.015 -10.350 1.00 0.00 C ATOM 156 CD PRO A 12 2.727 -1.094 -9.342 1.00 0.00 C ATOM 0 HA PRO A 12 3.872 0.954 -7.341 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.512 2.080 -9.928 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.774 0.936 -9.513 1.00 0.00 H new ATOM 0 HG2 PRO A 12 2.074 0.388 -10.793 1.00 0.00 H new ATOM 0 HG3 PRO A 12 3.627 -0.332 -11.169 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.902 -1.733 -9.656 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.596 -1.738 -9.208 1.00 0.00 H new ATOM 164 N GLN A 13 0.891 2.009 -7.721 1.00 0.00 N ATOM 165 CA GLN A 13 0.009 3.115 -7.346 1.00 0.00 C ATOM 166 C GLN A 13 -0.151 3.058 -5.814 1.00 0.00 C ATOM 167 O GLN A 13 -0.574 4.023 -5.178 1.00 0.00 O ATOM 168 CB GLN A 13 -1.336 2.937 -8.047 1.00 0.00 C ATOM 169 CG GLN A 13 -2.270 4.114 -7.773 1.00 0.00 C ATOM 170 CD GLN A 13 -3.567 3.953 -8.549 1.00 0.00 C ATOM 171 OE1 GLN A 13 -4.558 3.421 -8.051 1.00 0.00 O ATOM 172 NE2 GLN A 13 -3.572 4.415 -9.785 1.00 0.00 N ATOM 0 H GLN A 13 0.406 1.145 -7.963 1.00 0.00 H new ATOM 0 HA GLN A 13 0.415 4.082 -7.642 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.178 2.839 -9.121 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.804 2.013 -7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.483 4.177 -6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.783 5.047 -8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.734 4.851 -10.170 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.414 4.336 -10.356 1.00 0.00 H new ATOM 181 N CYS A 14 0.190 1.923 -5.205 1.00 0.00 N ATOM 182 CA CYS A 14 0.076 1.795 -3.755 1.00 0.00 C ATOM 183 C CYS A 14 1.324 2.433 -3.183 1.00 0.00 C ATOM 184 O CYS A 14 1.270 2.975 -2.079 1.00 0.00 O ATOM 185 CB CYS A 14 0.117 0.333 -3.334 1.00 0.00 C ATOM 186 SG CYS A 14 -1.517 -0.353 -3.548 1.00 0.00 S ATOM 0 H CYS A 14 0.541 1.093 -5.683 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.856 2.248 -3.416 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.842 -0.216 -3.935 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.433 0.245 -2.295 1.00 0.00 H new ATOM 191 N LEU A 15 2.432 2.207 -3.894 1.00 0.00 N ATOM 192 CA LEU A 15 3.752 2.745 -3.525 1.00 0.00 C ATOM 193 C LEU A 15 3.730 4.207 -3.072 1.00 0.00 C ATOM 194 O LEU A 15 4.282 4.542 -2.018 1.00 0.00 O ATOM 195 CB LEU A 15 4.685 2.542 -4.727 1.00 0.00 C ATOM 196 CG LEU A 15 6.154 2.917 -4.498 1.00 0.00 C ATOM 197 CD1 LEU A 15 6.829 2.006 -3.474 1.00 0.00 C ATOM 198 CD2 LEU A 15 6.897 2.780 -5.825 1.00 0.00 C ATOM 0 H LEU A 15 2.443 1.645 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 15 4.111 2.203 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.639 1.495 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.305 3.130 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 15 6.187 3.937 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.868 2.310 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.308 2.082 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.794 0.975 -3.825 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.945 3.043 -5.684 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.825 1.751 -6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.452 3.448 -6.562 1.00 0.00 H new ATOM 210 N LYS A 16 3.193 5.026 -3.990 1.00 0.00 N ATOM 211 CA LYS A 16 3.051 6.487 -3.790 1.00 0.00 C ATOM 212 C LYS A 16 2.555 6.870 -2.372 1.00 0.00 C ATOM 213 O LYS A 16 3.294 7.590 -1.709 1.00 0.00 O ATOM 214 CB LYS A 16 2.365 7.143 -5.002 1.00 0.00 C ATOM 215 CG LYS A 16 2.410 8.666 -4.897 1.00 0.00 C ATOM 216 CD LYS A 16 1.759 9.296 -6.127 1.00 0.00 C ATOM 217 CE LYS A 16 1.707 10.819 -6.016 1.00 0.00 C ATOM 218 NZ LYS A 16 3.064 11.384 -6.016 1.00 0.00 N ATOM 0 H LYS A 16 2.844 4.700 -4.892 1.00 0.00 H new ATOM 0 HA LYS A 16 4.038 6.949 -3.779 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.857 6.823 -5.920 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.329 6.809 -5.063 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.892 8.992 -3.995 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.443 9.002 -4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.317 9.014 -7.020 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.749 8.904 -6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.136 11.230 -6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.188 11.105 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.009 12.418 -6.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.540 11.143 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.604 10.991 -6.814 1.00 0.00 H new ATOM 231 N PRO A 17 1.443 6.409 -1.763 1.00 0.00 N ATOM 232 CA PRO A 17 1.107 6.849 -0.406 1.00 0.00 C ATOM 233 C PRO A 17 1.898 6.012 0.603 1.00 0.00 C ATOM 234 O PRO A 17 2.237 6.463 1.699 1.00 0.00 O ATOM 235 CB PRO A 17 -0.391 6.570 -0.287 1.00 0.00 C ATOM 236 CG PRO A 17 -0.641 5.458 -1.300 1.00 0.00 C ATOM 237 CD PRO A 17 0.269 5.862 -2.450 1.00 0.00 C ATOM 0 HA PRO A 17 1.345 7.895 -0.214 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.660 6.258 0.722 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.982 7.457 -0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.382 4.477 -0.901 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.687 5.412 -1.605 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.529 5.010 -3.078 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.202 6.602 -3.097 1.00 0.00 H new ATOM 245 N CYS A 18 2.384 4.837 0.187 1.00 0.00 N ATOM 246 CA CYS A 18 3.154 3.983 1.108 1.00 0.00 C ATOM 247 C CYS A 18 4.642 4.363 1.254 1.00 0.00 C ATOM 248 O CYS A 18 5.401 3.633 1.883 1.00 0.00 O ATOM 249 CB CYS A 18 3.008 2.511 0.705 1.00 0.00 C ATOM 250 SG CYS A 18 1.542 1.822 1.506 1.00 0.00 S ATOM 0 H CYS A 18 2.265 4.460 -0.753 1.00 0.00 H new ATOM 0 HA CYS A 18 2.723 4.150 2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.921 2.424 -0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.896 1.951 0.999 1.00 0.00 H new ATOM 255 N LYS A 19 5.083 5.461 0.662 1.00 0.00 N ATOM 256 CA LYS A 19 6.472 5.893 0.782 1.00 0.00 C ATOM 257 C LYS A 19 6.324 7.391 0.962 1.00 0.00 C ATOM 258 O LYS A 19 7.285 8.153 0.859 1.00 0.00 O ATOM 259 CB LYS A 19 7.263 5.607 -0.489 1.00 0.00 C ATOM 260 CG LYS A 19 7.753 4.168 -0.560 1.00 0.00 C ATOM 261 CD LYS A 19 8.939 3.960 0.380 1.00 0.00 C ATOM 262 CE LYS A 19 9.722 2.710 -0.009 1.00 0.00 C ATOM 263 NZ LYS A 19 10.819 2.492 0.945 1.00 0.00 N ATOM 0 H LYS A 19 4.500 6.073 0.091 1.00 0.00 H new ATOM 0 HA LYS A 19 7.006 5.385 1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.638 5.818 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.118 6.281 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.944 3.489 -0.291 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.045 3.927 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.594 4.831 0.346 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.584 3.868 1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.060 1.844 -0.020 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.121 2.819 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 11.567 1.930 0.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.207 3.410 1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.459 1.982 1.777 1.00 0.00 H new ATOM 276 N ASP A 20 5.078 7.775 1.222 1.00 0.00 N ATOM 277 CA ASP A 20 4.758 9.193 1.428 1.00 0.00 C ATOM 278 C ASP A 20 3.786 9.354 2.587 1.00 0.00 C ATOM 279 O ASP A 20 3.126 10.378 2.760 1.00 0.00 O ATOM 280 CB ASP A 20 4.265 9.843 0.137 1.00 0.00 C ATOM 281 CG ASP A 20 4.292 11.362 0.214 1.00 0.00 C ATOM 282 OD1 ASP A 20 3.363 12.035 0.658 1.00 0.00 O ATOM 283 OD2 ASP A 20 5.466 11.878 -0.268 1.00 0.00 O ATOM 0 H ASP A 20 4.282 7.141 1.295 1.00 0.00 H new ATOM 0 HA ASP A 20 5.669 9.725 1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.886 9.512 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.248 9.509 -0.071 1.00 0.00 H new ATOM 289 N ALA A 21 3.755 8.330 3.418 1.00 0.00 N ATOM 290 CA ALA A 21 2.864 8.383 4.582 1.00 0.00 C ATOM 291 C ALA A 21 3.486 7.547 5.681 1.00 0.00 C ATOM 292 O ALA A 21 2.804 6.880 6.458 1.00 0.00 O ATOM 293 CB ALA A 21 1.443 7.905 4.286 1.00 0.00 C ATOM 0 H ALA A 21 4.309 7.479 3.325 1.00 0.00 H new ATOM 0 HA ALA A 21 2.762 9.425 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.841 7.972 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.003 8.531 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.471 6.870 3.944 1.00 0.00 H new ATOM 299 N GLY A 22 4.807 7.654 5.746 1.00 0.00 N ATOM 300 CA GLY A 22 5.564 6.916 6.754 1.00 0.00 C ATOM 301 C GLY A 22 5.379 5.423 6.579 1.00 0.00 C ATOM 302 O GLY A 22 4.809 4.762 7.446 1.00 0.00 O ATOM 0 H GLY A 22 5.371 8.234 5.125 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.622 7.167 6.677 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.237 7.213 7.751 1.00 0.00 H new ATOM 306 N MET A 23 5.871 4.879 5.477 1.00 0.00 N ATOM 307 CA MET A 23 5.697 3.439 5.284 1.00 0.00 C ATOM 308 C MET A 23 6.844 2.977 4.388 1.00 0.00 C ATOM 309 O MET A 23 7.380 3.793 3.639 1.00 0.00 O ATOM 310 CB MET A 23 4.273 3.365 4.730 1.00 0.00 C ATOM 311 CG MET A 23 3.882 2.011 4.166 1.00 0.00 C ATOM 312 SD MET A 23 4.349 0.684 5.273 1.00 0.00 S ATOM 313 CE MET A 23 3.390 1.100 6.729 1.00 0.00 C ATOM 0 H MET A 23 6.368 5.375 4.737 1.00 0.00 H new ATOM 0 HA MET A 23 5.761 2.772 6.144 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.574 3.628 5.524 1.00 0.00 H new ATOM 0 HB3 MET A 23 4.163 4.115 3.947 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.806 1.983 3.995 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.362 1.866 3.198 1.00 0.00 H new ATOM 0 HE1 MET A 23 4.048 1.520 7.490 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.626 1.832 6.465 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.912 0.201 7.119 1.00 0.00 H new ATOM 323 N ARG A 24 7.253 1.707 4.462 1.00 0.00 N ATOM 324 CA ARG A 24 8.363 1.273 3.605 1.00 0.00 C ATOM 325 C ARG A 24 7.820 0.884 2.243 1.00 0.00 C ATOM 326 O ARG A 24 7.184 1.668 1.539 1.00 0.00 O ATOM 327 CB ARG A 24 9.191 0.181 4.305 1.00 0.00 C ATOM 328 CG ARG A 24 9.778 0.694 5.612 1.00 0.00 C ATOM 329 CD ARG A 24 10.807 -0.306 6.134 1.00 0.00 C ATOM 330 NE ARG A 24 11.466 0.235 7.322 1.00 0.00 N ATOM 331 CZ ARG A 24 12.399 -0.479 7.933 1.00 0.00 C ATOM 332 NH1 ARG A 24 12.741 -1.673 7.482 1.00 0.00 N ATOM 333 NH2 ARG A 24 12.995 0.008 9.006 1.00 0.00 N ATOM 0 H ARG A 24 6.857 0.992 5.073 1.00 0.00 H new ATOM 0 HA ARG A 24 9.065 2.089 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.562 -0.687 4.501 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.994 -0.149 3.646 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.246 1.666 5.456 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.987 0.836 6.348 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.319 -1.250 6.376 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.546 -0.518 5.361 1.00 0.00 H new ATOM 0 HE ARG A 24 11.209 1.156 7.678 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.285 -2.055 6.654 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.461 -2.212 7.962 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.736 0.929 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.714 -0.537 9.481 1.00 0.00 H new ATOM 346 N PHE A 25 8.096 -0.344 1.879 1.00 0.00 N ATOM 347 CA PHE A 25 7.635 -0.842 0.587 1.00 0.00 C ATOM 348 C PHE A 25 6.130 -0.952 0.612 1.00 0.00 C ATOM 349 O PHE A 25 5.510 -0.956 1.673 1.00 0.00 O ATOM 350 CB PHE A 25 8.226 -2.206 0.257 1.00 0.00 C ATOM 351 CG PHE A 25 9.682 -2.278 0.652 1.00 0.00 C ATOM 352 CD1 PHE A 25 10.588 -1.528 0.010 1.00 0.00 C ATOM 353 CD2 PHE A 25 10.067 -3.091 1.645 1.00 0.00 C ATOM 354 CE1 PHE A 25 11.880 -1.593 0.360 1.00 0.00 C ATOM 355 CE2 PHE A 25 11.359 -3.156 1.995 1.00 0.00 C ATOM 356 CZ PHE A 25 12.265 -2.406 1.353 1.00 0.00 C ATOM 0 H PHE A 25 8.626 -1.012 2.439 1.00 0.00 H new ATOM 0 HA PHE A 25 7.963 -0.140 -0.180 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.666 -2.984 0.777 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.126 -2.401 -0.811 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.277 -0.871 -0.789 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.336 -3.694 2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.611 -0.990 -0.158 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.670 -3.813 2.794 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.306 -2.457 1.636 1.00 0.00 H new ATOM 366 N GLY A 26 5.582 -1.055 -0.584 1.00 0.00 N ATOM 367 CA GLY A 26 4.132 -1.167 -0.741 1.00 0.00 C ATOM 368 C GLY A 26 3.822 -2.294 -1.702 1.00 0.00 C ATOM 369 O GLY A 26 4.548 -2.533 -2.666 1.00 0.00 O ATOM 0 H GLY A 26 6.108 -1.064 -1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.663 -1.357 0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.721 -0.230 -1.116 1.00 0.00 H new ATOM 373 N LYS A 27 2.734 -2.990 -1.419 1.00 0.00 N ATOM 374 CA LYS A 27 2.349 -4.105 -2.295 1.00 0.00 C ATOM 375 C LYS A 27 0.834 -4.259 -2.305 1.00 0.00 C ATOM 376 O LYS A 27 0.196 -4.500 -1.281 1.00 0.00 O ATOM 377 CB LYS A 27 3.086 -5.392 -1.904 1.00 0.00 C ATOM 378 CG LYS A 27 2.834 -5.868 -0.472 1.00 0.00 C ATOM 379 CD LYS A 27 3.661 -7.124 -0.201 1.00 0.00 C ATOM 380 CE LYS A 27 3.371 -7.703 1.183 1.00 0.00 C ATOM 381 NZ LYS A 27 3.816 -6.777 2.236 1.00 0.00 N ATOM 0 H LYS A 27 2.117 -2.820 -0.625 1.00 0.00 H new ATOM 0 HA LYS A 27 2.655 -3.885 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.793 -6.185 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.156 -5.235 -2.036 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.101 -5.084 0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.774 -6.079 -0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.444 -7.874 -0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.722 -6.886 -0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.303 -7.894 1.287 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.878 -8.661 1.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.736 -7.241 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.807 -6.509 2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.220 -5.925 2.223 1.00 0.00 H new ATOM 394 N CYS A 28 0.242 -4.127 -3.484 1.00 0.00 N ATOM 395 CA CYS A 28 -1.212 -4.259 -3.551 1.00 0.00 C ATOM 396 C CYS A 28 -1.664 -5.711 -3.472 1.00 0.00 C ATOM 397 O CYS A 28 -1.048 -6.625 -4.019 1.00 0.00 O ATOM 398 CB CYS A 28 -1.815 -3.583 -4.781 1.00 0.00 C ATOM 399 SG CYS A 28 -3.567 -3.340 -4.429 1.00 0.00 S ATOM 0 H CYS A 28 0.714 -3.938 -4.368 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.589 -3.736 -2.672 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.324 -2.630 -4.979 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.680 -4.202 -5.668 1.00 0.00 H new ATOM 404 N MET A 29 -2.761 -5.904 -2.760 1.00 0.00 N ATOM 405 CA MET A 29 -3.316 -7.243 -2.600 1.00 0.00 C ATOM 406 C MET A 29 -4.825 -7.066 -2.469 1.00 0.00 C ATOM 407 O MET A 29 -5.291 -6.226 -1.697 1.00 0.00 O ATOM 408 CB MET A 29 -2.709 -7.901 -1.364 1.00 0.00 C ATOM 409 CG MET A 29 -3.159 -9.354 -1.240 1.00 0.00 C ATOM 410 SD MET A 29 -2.396 -10.095 0.212 1.00 0.00 S ATOM 411 CE MET A 29 -3.091 -11.750 0.082 1.00 0.00 C ATOM 0 H MET A 29 -3.281 -5.164 -2.288 1.00 0.00 H new ATOM 0 HA MET A 29 -3.089 -7.892 -3.446 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.621 -7.857 -1.422 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.003 -7.348 -0.472 1.00 0.00 H new ATOM 0 HG2 MET A 29 -4.245 -9.404 -1.159 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.880 -9.910 -2.135 1.00 0.00 H new ATOM 0 HE1 MET A 29 -2.728 -12.363 0.907 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.179 -11.692 0.125 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.788 -12.198 -0.864 1.00 0.00 H new ATOM 421 N ASN A 30 -5.565 -7.819 -3.282 1.00 0.00 N ATOM 422 CA ASN A 30 -7.038 -7.762 -3.275 1.00 0.00 C ATOM 423 C ASN A 30 -7.596 -6.365 -3.541 1.00 0.00 C ATOM 424 O ASN A 30 -8.526 -5.925 -2.866 1.00 0.00 O ATOM 425 CB ASN A 30 -7.580 -8.270 -1.938 1.00 0.00 C ATOM 426 CG ASN A 30 -7.097 -9.675 -1.602 1.00 0.00 C ATOM 427 OD1 ASN A 30 -6.566 -9.929 -0.522 1.00 0.00 O ATOM 428 ND2 ASN A 30 -7.292 -10.612 -2.511 1.00 0.00 N ATOM 0 H ASN A 30 -5.175 -8.478 -3.956 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.367 -8.402 -4.094 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.277 -7.587 -1.145 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.670 -8.262 -1.966 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -7.000 -11.572 -2.325 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.735 -10.377 -3.399 1.00 0.00 H new ATOM 435 N ARG A 31 -6.988 -5.655 -4.490 1.00 0.00 N ATOM 436 CA ARG A 31 -7.421 -4.294 -4.843 1.00 0.00 C ATOM 437 C ARG A 31 -7.292 -3.297 -3.689 1.00 0.00 C ATOM 438 O ARG A 31 -8.086 -2.364 -3.588 1.00 0.00 O ATOM 439 CB ARG A 31 -8.845 -4.258 -5.417 1.00 0.00 C ATOM 440 CG ARG A 31 -9.074 -5.180 -6.620 1.00 0.00 C ATOM 441 CD ARG A 31 -8.271 -4.756 -7.849 1.00 0.00 C ATOM 442 NE ARG A 31 -8.620 -5.625 -8.972 1.00 0.00 N ATOM 443 CZ ARG A 31 -8.043 -5.432 -10.148 1.00 0.00 C ATOM 444 NH1 ARG A 31 -7.157 -4.467 -10.317 1.00 0.00 N ATOM 445 NH2 ARG A 31 -8.355 -6.215 -11.164 1.00 0.00 N ATOM 0 H ARG A 31 -6.193 -5.995 -5.031 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.730 -3.979 -5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.547 -4.531 -4.629 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.078 -3.235 -5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.802 -6.200 -6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.135 -5.188 -6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.485 -3.716 -8.097 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.203 -4.821 -7.641 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.302 -6.374 -8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.910 -3.859 -9.536 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.720 -4.330 -11.228 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.037 -6.963 -11.040 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.914 -6.072 -12.073 1.00 0.00 H new ATOM 458 N LYS A 32 -6.299 -3.456 -2.818 1.00 0.00 N ATOM 459 CA LYS A 32 -6.134 -2.521 -1.702 1.00 0.00 C ATOM 460 C LYS A 32 -4.643 -2.496 -1.409 1.00 0.00 C ATOM 461 O LYS A 32 -3.958 -3.501 -1.588 1.00 0.00 O ATOM 462 CB LYS A 32 -6.865 -3.006 -0.445 1.00 0.00 C ATOM 463 CG LYS A 32 -8.355 -2.659 -0.465 1.00 0.00 C ATOM 464 CD LYS A 32 -9.038 -3.108 0.826 1.00 0.00 C ATOM 465 CE LYS A 32 -10.521 -2.739 0.836 1.00 0.00 C ATOM 466 NZ LYS A 32 -11.252 -3.494 -0.193 1.00 0.00 N ATOM 0 H LYS A 32 -5.608 -4.206 -2.858 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.542 -1.544 -1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.748 -4.086 -0.354 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.403 -2.560 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.480 -1.584 -0.592 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.833 -3.139 -1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.930 -4.187 0.939 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.542 -2.647 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.946 -2.948 1.818 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.636 -1.670 0.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.275 -3.373 -0.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.989 -3.141 -1.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.009 -4.503 -0.122 1.00 0.00 H new ATOM 479 N CYS A 33 -4.113 -1.370 -0.961 1.00 0.00 N ATOM 480 CA CYS A 33 -2.687 -1.345 -0.679 1.00 0.00 C ATOM 481 C CYS A 33 -2.297 -1.848 0.689 1.00 0.00 C ATOM 482 O CYS A 33 -2.604 -1.256 1.721 1.00 0.00 O ATOM 483 CB CYS A 33 -2.287 0.103 -0.707 1.00 0.00 C ATOM 484 SG CYS A 33 -2.698 0.697 -2.337 1.00 0.00 S ATOM 0 H CYS A 33 -4.618 -0.500 -0.791 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.205 -1.992 -1.412 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -2.817 0.669 0.059 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.221 0.217 -0.508 1.00 0.00 H new ATOM 489 N HIS A 34 -1.641 -2.984 0.641 1.00 0.00 N ATOM 490 CA HIS A 34 -1.160 -3.622 1.868 1.00 0.00 C ATOM 491 C HIS A 34 0.266 -3.118 1.807 1.00 0.00 C ATOM 492 O HIS A 34 0.722 -2.844 0.700 1.00 0.00 O ATOM 493 CB HIS A 34 -1.229 -5.151 1.811 1.00 0.00 C ATOM 494 CG HIS A 34 -2.621 -5.692 2.084 1.00 0.00 C ATOM 495 ND1 HIS A 34 -2.924 -6.582 3.107 1.00 0.00 N ATOM 496 CD2 HIS A 34 -3.762 -5.389 1.334 1.00 0.00 C ATOM 497 CE1 HIS A 34 -4.270 -6.726 2.856 1.00 0.00 C ATOM 498 NE2 HIS A 34 -4.854 -6.074 1.809 1.00 0.00 N ATOM 0 H HIS A 34 -1.425 -3.489 -0.218 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.722 -3.395 2.774 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.901 -5.488 0.828 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.534 -5.568 2.539 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.782 -4.709 0.495 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.869 -7.360 3.493 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.818 -6.090 1.477 1.00 0.00 H new ATOM 506 N CYS A 35 0.972 -2.951 2.914 1.00 0.00 N ATOM 507 CA CYS A 35 2.353 -2.455 2.805 1.00 0.00 C ATOM 508 C CYS A 35 3.195 -3.098 3.908 1.00 0.00 C ATOM 509 O CYS A 35 2.698 -3.994 4.586 1.00 0.00 O ATOM 510 CB CYS A 35 2.350 -0.926 2.820 1.00 0.00 C ATOM 511 SG CYS A 35 1.525 -0.184 1.389 1.00 0.00 S ATOM 0 H CYS A 35 0.641 -3.138 3.860 1.00 0.00 H new ATOM 0 HA CYS A 35 2.812 -2.740 1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.859 -0.582 3.730 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.380 -0.570 2.859 1.00 0.00 H new ATOM 516 N THR A 36 4.462 -2.703 4.070 1.00 0.00 N ATOM 517 CA THR A 36 5.294 -3.319 5.121 1.00 0.00 C ATOM 518 C THR A 36 5.311 -2.453 6.402 1.00 0.00 C ATOM 519 O THR A 36 5.962 -1.414 6.332 1.00 0.00 O ATOM 520 CB THR A 36 6.705 -3.378 4.540 1.00 0.00 C ATOM 521 OG1 THR A 36 6.658 -4.094 3.315 1.00 0.00 O ATOM 522 CG2 THR A 36 7.679 -4.086 5.482 1.00 0.00 C ATOM 0 H THR A 36 4.926 -1.986 3.512 1.00 0.00 H new ATOM 0 HA THR A 36 4.907 -4.300 5.397 1.00 0.00 H new ATOM 0 HB THR A 36 7.057 -2.357 4.393 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.557 -4.139 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.671 -4.107 5.031 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.722 -3.550 6.430 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.339 -5.107 5.657 1.00 0.00 H new ATOM 530 N PRO A 37 4.740 -2.781 7.578 1.00 0.00 N ATOM 531 CA PRO A 37 4.797 -1.892 8.749 1.00 0.00 C ATOM 532 C PRO A 37 6.161 -1.473 9.278 1.00 0.00 C ATOM 533 O PRO A 37 7.052 -2.295 9.492 1.00 0.00 O ATOM 534 CB PRO A 37 4.097 -2.714 9.829 1.00 0.00 C ATOM 535 CG PRO A 37 3.120 -3.585 9.055 1.00 0.00 C ATOM 536 CD PRO A 37 3.899 -3.959 7.802 1.00 0.00 C ATOM 0 HA PRO A 37 4.357 -0.936 8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.807 -3.317 10.395 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.581 -2.075 10.545 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.829 -4.467 9.625 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.205 -3.045 8.813 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.495 -4.859 7.950 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.238 -4.150 6.957 1.00 0.00 H new ATOM 544 N LYS A 38 6.259 -0.163 9.483 1.00 0.00 N ATOM 545 CA LYS A 38 7.487 0.458 9.996 1.00 0.00 C ATOM 546 C LYS A 38 8.650 0.281 9.033 1.00 0.00 C ATOM 547 O LYS A 38 9.040 -0.805 8.609 1.00 0.00 O ATOM 548 CB LYS A 38 7.872 -0.040 11.398 1.00 0.00 C ATOM 549 CG LYS A 38 6.771 0.114 12.454 1.00 0.00 C ATOM 550 CD LYS A 38 6.465 1.580 12.763 1.00 0.00 C ATOM 551 CE LYS A 38 5.478 1.713 13.921 1.00 0.00 C ATOM 552 NZ LYS A 38 4.168 1.157 13.551 1.00 0.00 N ATOM 553 OXT LYS A 38 9.214 1.487 8.709 1.00 0.00 O ATOM 0 H LYS A 38 5.502 0.496 9.302 1.00 0.00 H new ATOM 0 HA LYS A 38 7.266 1.522 10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.150 -1.092 11.332 1.00 0.00 H new ATOM 0 HB3 LYS A 38 8.756 0.503 11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.864 -0.378 12.104 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.076 -0.392 13.370 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.390 2.102 13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.054 2.062 11.876 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.865 1.193 14.797 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.369 2.762 14.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.475 1.376 14.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.855 1.575 12.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.246 0.125 13.444 1.00 0.00 H new