USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=8 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= -0.647 K(o=-0.65,f=-2.1!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot -48:sc= 0.0422 USER MOD Single : A 11 SER OG : rot 180:sc=-0.00263 USER MOD Single : A 13 GLN : amide:sc= -0.107 K(o=-0.11,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= -0.0168 (180deg=-0.17) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 174:sc= -0.201 (180deg=-0.263) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -128:sc=-0.00223 (180deg=-0.243) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= 0 (180deg=-1.09) USER MOD Single : A 34 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.21) USER MOD Single : A 36 THR OG1 : rot -160:sc= -0.119 USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.099) USER MOD ----------------------------------------------------------------- ATOM 25 N GLU A 3 -3.277 -1.886 6.056 1.00 0.00 N ATOM 26 CA GLU A 3 -3.935 -1.517 4.804 1.00 0.00 C ATOM 27 C GLU A 3 -4.541 -0.120 4.896 1.00 0.00 C ATOM 28 O GLU A 3 -5.230 0.224 5.856 1.00 0.00 O ATOM 29 CB GLU A 3 -4.990 -2.569 4.444 1.00 0.00 C ATOM 30 CG GLU A 3 -6.128 -2.691 5.465 1.00 0.00 C ATOM 31 CD GLU A 3 -7.114 -3.782 5.076 1.00 0.00 C ATOM 32 OE1 GLU A 3 -7.986 -4.205 5.832 1.00 0.00 O ATOM 33 OE2 GLU A 3 -6.912 -4.227 3.797 1.00 0.00 O ATOM 0 HA GLU A 3 -3.192 -1.490 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.415 -2.324 3.471 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.501 -3.538 4.343 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.713 -2.909 6.449 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.651 -1.738 5.543 1.00 0.00 H new ATOM 41 N ILE A 4 -4.254 0.681 3.879 1.00 0.00 N ATOM 42 CA ILE A 4 -4.771 2.054 3.829 1.00 0.00 C ATOM 43 C ILE A 4 -6.047 2.047 2.995 1.00 0.00 C ATOM 44 O ILE A 4 -6.304 1.112 2.238 1.00 0.00 O ATOM 45 CB ILE A 4 -3.708 3.004 3.267 1.00 0.00 C ATOM 46 CG1 ILE A 4 -3.140 2.538 1.920 1.00 0.00 C ATOM 47 CG2 ILE A 4 -2.596 3.118 4.310 1.00 0.00 C ATOM 48 CD1 ILE A 4 -2.302 3.627 1.254 1.00 0.00 C ATOM 0 H ILE A 4 -3.674 0.414 3.084 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.008 2.418 4.829 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.169 3.972 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.528 1.649 2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.958 2.253 1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.820 3.789 3.942 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.007 3.514 5.239 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.167 2.133 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.917 3.259 0.303 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.921 4.507 1.079 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.469 3.893 1.904 1.00 0.00 H new ATOM 60 N ASN A 5 -6.841 3.100 3.111 1.00 0.00 N ATOM 61 CA ASN A 5 -8.088 3.160 2.342 1.00 0.00 C ATOM 62 C ASN A 5 -7.898 3.728 0.937 1.00 0.00 C ATOM 63 O ASN A 5 -8.343 4.834 0.634 1.00 0.00 O ATOM 64 CB ASN A 5 -9.085 4.014 3.126 1.00 0.00 C ATOM 65 CG ASN A 5 -8.495 5.349 3.562 1.00 0.00 C ATOM 66 OD1 ASN A 5 -7.607 5.919 2.930 1.00 0.00 O ATOM 67 ND2 ASN A 5 -8.995 5.868 4.668 1.00 0.00 N ATOM 0 H ASN A 5 -6.659 3.906 3.709 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.457 2.143 2.208 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -9.967 4.194 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.417 3.463 4.006 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.645 6.761 5.016 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.731 5.376 5.175 1.00 0.00 H new ATOM 74 N VAL A 6 -7.238 2.966 0.067 1.00 0.00 N ATOM 75 CA VAL A 6 -7.004 3.418 -1.317 1.00 0.00 C ATOM 76 C VAL A 6 -7.144 2.158 -2.164 1.00 0.00 C ATOM 77 O VAL A 6 -6.559 1.120 -1.863 1.00 0.00 O ATOM 78 CB VAL A 6 -5.588 3.964 -1.585 1.00 0.00 C ATOM 79 CG1 VAL A 6 -5.505 4.613 -2.967 1.00 0.00 C ATOM 80 CG2 VAL A 6 -5.093 5.014 -0.591 1.00 0.00 C ATOM 0 H VAL A 6 -6.858 2.045 0.284 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.700 4.228 -1.535 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.957 3.080 -1.492 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.496 4.990 -3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.745 3.874 -3.731 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.215 5.438 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.088 5.332 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -5.763 5.874 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.074 4.586 0.411 1.00 0.00 H new ATOM 90 N LYS A 7 -7.930 2.241 -3.223 1.00 0.00 N ATOM 91 CA LYS A 7 -8.112 1.070 -4.085 1.00 0.00 C ATOM 92 C LYS A 7 -6.948 1.005 -5.064 1.00 0.00 C ATOM 93 O LYS A 7 -6.291 2.015 -5.312 1.00 0.00 O ATOM 94 CB LYS A 7 -9.416 1.202 -4.879 1.00 0.00 C ATOM 95 CG LYS A 7 -10.681 1.301 -4.020 1.00 0.00 C ATOM 96 CD LYS A 7 -10.956 0.020 -3.233 1.00 0.00 C ATOM 97 CE LYS A 7 -12.287 0.131 -2.494 1.00 0.00 C ATOM 98 NZ LYS A 7 -12.543 -1.107 -1.744 1.00 0.00 N ATOM 0 H LYS A 7 -8.442 3.076 -3.507 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.152 0.169 -3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.352 2.087 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.510 0.342 -5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -10.581 2.135 -3.326 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.535 1.520 -4.661 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.978 -0.834 -3.910 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.150 -0.158 -2.521 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.266 0.982 -1.813 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.094 0.311 -3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.450 -1.027 -1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.581 -1.911 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.779 -1.260 -1.055 1.00 0.00 H new ATOM 111 N CYS A 8 -6.689 -0.170 -5.629 1.00 0.00 N ATOM 112 CA CYS A 8 -5.573 -0.266 -6.580 1.00 0.00 C ATOM 113 C CYS A 8 -5.730 -1.399 -7.578 1.00 0.00 C ATOM 114 O CYS A 8 -6.657 -2.205 -7.545 1.00 0.00 O ATOM 115 CB CYS A 8 -4.266 -0.446 -5.809 1.00 0.00 C ATOM 116 SG CYS A 8 -4.250 -2.016 -4.913 1.00 0.00 S ATOM 0 H CYS A 8 -7.205 -1.034 -5.461 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.564 0.661 -7.154 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.424 -0.410 -6.501 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.138 0.378 -5.107 1.00 0.00 H new ATOM 121 N SER A 9 -4.769 -1.413 -8.481 1.00 0.00 N ATOM 122 CA SER A 9 -4.737 -2.427 -9.532 1.00 0.00 C ATOM 123 C SER A 9 -3.285 -2.779 -9.804 1.00 0.00 C ATOM 124 O SER A 9 -2.951 -3.566 -10.688 1.00 0.00 O ATOM 125 CB SER A 9 -5.338 -1.791 -10.772 1.00 0.00 C ATOM 126 OG SER A 9 -5.672 -2.787 -11.727 1.00 0.00 O ATOM 0 H SER A 9 -4.002 -0.741 -8.514 1.00 0.00 H new ATOM 0 HA SER A 9 -5.286 -3.326 -9.250 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.229 -1.224 -10.502 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.630 -1.085 -11.206 1.00 0.00 H new ATOM 0 HG SER A 9 -4.918 -3.403 -11.834 1.00 0.00 H new ATOM 132 N GLY A 10 -2.409 -2.179 -9.022 1.00 0.00 N ATOM 133 CA GLY A 10 -0.987 -2.453 -9.208 1.00 0.00 C ATOM 134 C GLY A 10 -0.142 -1.904 -8.071 1.00 0.00 C ATOM 135 O GLY A 10 -0.377 -0.811 -7.557 1.00 0.00 O ATOM 0 H GLY A 10 -2.638 -1.521 -8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.833 -3.529 -9.285 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.655 -2.015 -10.149 1.00 0.00 H new ATOM 139 N SER A 11 0.841 -2.692 -7.668 1.00 0.00 N ATOM 140 CA SER A 11 1.733 -2.260 -6.579 1.00 0.00 C ATOM 141 C SER A 11 2.488 -0.918 -6.780 1.00 0.00 C ATOM 142 O SER A 11 2.549 -0.182 -5.794 1.00 0.00 O ATOM 143 CB SER A 11 2.628 -3.422 -6.182 1.00 0.00 C ATOM 144 OG SER A 11 3.579 -3.693 -7.202 1.00 0.00 O ATOM 0 H SER A 11 1.047 -3.611 -8.059 1.00 0.00 H new ATOM 0 HA SER A 11 1.087 -1.993 -5.743 1.00 0.00 H new ATOM 0 HB2 SER A 11 3.143 -3.189 -5.250 1.00 0.00 H new ATOM 0 HB3 SER A 11 2.021 -4.309 -5.998 1.00 0.00 H new ATOM 0 HG SER A 11 4.148 -4.443 -6.928 1.00 0.00 H new ATOM 150 N PRO A 12 3.009 -0.409 -7.925 1.00 0.00 N ATOM 151 CA PRO A 12 3.685 0.902 -7.911 1.00 0.00 C ATOM 152 C PRO A 12 2.762 2.113 -7.667 1.00 0.00 C ATOM 153 O PRO A 12 3.247 3.199 -7.355 1.00 0.00 O ATOM 154 CB PRO A 12 4.413 0.994 -9.252 1.00 0.00 C ATOM 155 CG PRO A 12 3.873 -0.162 -10.084 1.00 0.00 C ATOM 156 CD PRO A 12 3.513 -1.216 -9.046 1.00 0.00 C ATOM 0 HA PRO A 12 4.364 0.953 -7.059 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.222 1.951 -9.738 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.492 0.913 -9.120 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.003 0.138 -10.669 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.619 -0.531 -10.788 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.758 -1.909 -9.418 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.379 -1.813 -8.758 1.00 0.00 H new ATOM 164 N GLN A 13 1.439 1.969 -7.800 1.00 0.00 N ATOM 165 CA GLN A 13 0.530 3.092 -7.556 1.00 0.00 C ATOM 166 C GLN A 13 0.226 3.104 -6.047 1.00 0.00 C ATOM 167 O GLN A 13 -0.190 4.115 -5.482 1.00 0.00 O ATOM 168 CB GLN A 13 -0.745 2.866 -8.374 1.00 0.00 C ATOM 169 CG GLN A 13 -1.778 3.984 -8.213 1.00 0.00 C ATOM 170 CD GLN A 13 -1.258 5.315 -8.731 1.00 0.00 C ATOM 171 OE1 GLN A 13 -0.369 5.378 -9.579 1.00 0.00 O ATOM 172 NE2 GLN A 13 -1.811 6.400 -8.222 1.00 0.00 N ATOM 0 H GLN A 13 0.980 1.099 -8.071 1.00 0.00 H new ATOM 0 HA GLN A 13 0.962 4.048 -7.851 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.480 2.775 -9.427 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.196 1.919 -8.076 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.689 3.717 -8.749 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.045 4.083 -7.161 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.546 6.316 -7.520 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.503 7.322 -8.531 1.00 0.00 H new ATOM 181 N CYS A 14 0.435 1.972 -5.382 1.00 0.00 N ATOM 182 CA CYS A 14 0.181 1.890 -3.944 1.00 0.00 C ATOM 183 C CYS A 14 1.391 2.435 -3.215 1.00 0.00 C ATOM 184 O CYS A 14 1.259 2.901 -2.079 1.00 0.00 O ATOM 185 CB CYS A 14 0.100 0.432 -3.534 1.00 0.00 C ATOM 186 SG CYS A 14 -1.539 -0.161 -3.918 1.00 0.00 S ATOM 0 H CYS A 14 0.775 1.109 -5.806 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.735 2.433 -3.713 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.851 -0.155 -4.063 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.304 0.324 -2.469 1.00 0.00 H new ATOM 191 N LEU A 15 2.541 2.214 -3.859 1.00 0.00 N ATOM 192 CA LEU A 15 3.853 2.654 -3.363 1.00 0.00 C ATOM 193 C LEU A 15 3.836 4.062 -2.785 1.00 0.00 C ATOM 194 O LEU A 15 4.246 4.255 -1.641 1.00 0.00 O ATOM 195 CB LEU A 15 4.878 2.512 -4.498 1.00 0.00 C ATOM 196 CG LEU A 15 6.335 2.790 -4.107 1.00 0.00 C ATOM 197 CD1 LEU A 15 6.884 1.730 -3.153 1.00 0.00 C ATOM 198 CD2 LEU A 15 7.183 2.775 -5.376 1.00 0.00 C ATOM 0 H LEU A 15 2.590 1.719 -4.750 1.00 0.00 H new ATOM 0 HA LEU A 15 4.136 2.014 -2.527 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.814 1.500 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.600 3.192 -5.303 1.00 0.00 H new ATOM 0 HG LEU A 15 6.373 3.756 -3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.918 1.966 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.285 1.714 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.841 0.752 -3.632 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.224 2.971 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.104 1.799 -5.855 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.827 3.545 -6.061 1.00 0.00 H new ATOM 210 N LYS A 16 3.464 4.998 -3.662 1.00 0.00 N ATOM 211 CA LYS A 16 3.369 6.433 -3.310 1.00 0.00 C ATOM 212 C LYS A 16 2.698 6.723 -1.936 1.00 0.00 C ATOM 213 O LYS A 16 3.357 7.360 -1.116 1.00 0.00 O ATOM 214 CB LYS A 16 2.890 7.246 -4.529 1.00 0.00 C ATOM 215 CG LYS A 16 3.079 8.749 -4.309 1.00 0.00 C ATOM 216 CD LYS A 16 2.526 9.587 -5.466 1.00 0.00 C ATOM 217 CE LYS A 16 3.274 9.402 -6.789 1.00 0.00 C ATOM 218 NZ LYS A 16 4.684 9.798 -6.653 1.00 0.00 N ATOM 0 H LYS A 16 3.220 4.794 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 16 4.369 6.810 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.442 6.934 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.838 7.034 -4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.584 9.042 -3.383 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.140 8.964 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.477 9.331 -5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.561 10.640 -5.186 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.213 8.360 -7.103 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.798 9.998 -7.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.120 9.860 -7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.741 10.724 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.190 9.090 -6.083 1.00 0.00 H new ATOM 231 N PRO A 17 1.495 6.267 -1.533 1.00 0.00 N ATOM 232 CA PRO A 17 0.986 6.611 -0.204 1.00 0.00 C ATOM 233 C PRO A 17 1.565 5.704 0.881 1.00 0.00 C ATOM 234 O PRO A 17 1.653 6.106 2.047 1.00 0.00 O ATOM 235 CB PRO A 17 -0.522 6.401 -0.326 1.00 0.00 C ATOM 236 CG PRO A 17 -0.668 5.383 -1.449 1.00 0.00 C ATOM 237 CD PRO A 17 0.409 5.842 -2.422 1.00 0.00 C ATOM 0 HA PRO A 17 1.260 7.625 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -0.949 6.030 0.606 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -1.036 7.332 -0.564 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.499 4.364 -1.102 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.662 5.407 -1.897 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.723 5.037 -3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.061 6.659 -3.054 1.00 0.00 H new ATOM 245 N CYS A 18 2.160 4.576 0.490 1.00 0.00 N ATOM 246 CA CYS A 18 2.714 3.685 1.515 1.00 0.00 C ATOM 247 C CYS A 18 3.999 4.312 2.016 1.00 0.00 C ATOM 248 O CYS A 18 4.250 4.294 3.214 1.00 0.00 O ATOM 249 CB CYS A 18 3.096 2.313 0.948 1.00 0.00 C ATOM 250 SG CYS A 18 1.709 1.175 0.707 1.00 0.00 S ATOM 0 H CYS A 18 2.269 4.267 -0.476 1.00 0.00 H new ATOM 0 HA CYS A 18 1.959 3.552 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.598 2.458 -0.008 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.817 1.847 1.619 1.00 0.00 H new ATOM 255 N LYS A 19 4.756 4.971 1.149 1.00 0.00 N ATOM 256 CA LYS A 19 6.001 5.604 1.599 1.00 0.00 C ATOM 257 C LYS A 19 5.705 7.039 2.041 1.00 0.00 C ATOM 258 O LYS A 19 6.568 7.672 2.649 1.00 0.00 O ATOM 259 CB LYS A 19 7.075 5.550 0.509 1.00 0.00 C ATOM 260 CG LYS A 19 6.755 6.384 -0.732 1.00 0.00 C ATOM 261 CD LYS A 19 7.851 6.167 -1.773 1.00 0.00 C ATOM 262 CE LYS A 19 7.611 7.027 -3.011 1.00 0.00 C ATOM 263 NZ LYS A 19 8.710 6.835 -3.968 1.00 0.00 N ATOM 0 H LYS A 19 4.544 5.083 0.158 1.00 0.00 H new ATOM 0 HA LYS A 19 6.399 5.054 2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.020 5.894 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.219 4.512 0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.786 6.096 -1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.689 7.440 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.821 6.410 -1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.883 5.115 -2.058 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.662 6.758 -3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.542 8.077 -2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.544 7.422 -4.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.609 7.112 -3.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.756 5.834 -4.247 1.00 0.00 H new ATOM 276 N ASP A 20 4.489 7.530 1.747 1.00 0.00 N ATOM 277 CA ASP A 20 4.084 8.893 2.127 1.00 0.00 C ATOM 278 C ASP A 20 3.121 8.861 3.312 1.00 0.00 C ATOM 279 O ASP A 20 2.356 9.790 3.570 1.00 0.00 O ATOM 280 CB ASP A 20 3.517 9.667 0.939 1.00 0.00 C ATOM 281 CG ASP A 20 3.544 11.162 1.213 1.00 0.00 C ATOM 282 OD1 ASP A 20 2.532 11.837 1.398 1.00 0.00 O ATOM 283 OD2 ASP A 20 4.822 11.656 1.228 1.00 0.00 O ATOM 0 H ASP A 20 3.771 7.004 1.248 1.00 0.00 H new ATOM 0 HA ASP A 20 4.975 9.433 2.446 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.097 9.445 0.043 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.494 9.346 0.744 1.00 0.00 H new ATOM 289 N ALA A 21 3.241 7.786 4.068 1.00 0.00 N ATOM 290 CA ALA A 21 2.398 7.617 5.254 1.00 0.00 C ATOM 291 C ALA A 21 3.251 6.851 6.263 1.00 0.00 C ATOM 292 O ALA A 21 2.772 6.156 7.158 1.00 0.00 O ATOM 293 CB ALA A 21 1.104 6.861 4.969 1.00 0.00 C ATOM 0 H ALA A 21 3.898 7.026 3.894 1.00 0.00 H new ATOM 0 HA ALA A 21 2.082 8.592 5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.526 6.770 5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.521 7.405 4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.340 5.867 4.589 1.00 0.00 H new ATOM 299 N GLY A 22 4.556 7.009 6.088 1.00 0.00 N ATOM 300 CA GLY A 22 5.528 6.362 6.975 1.00 0.00 C ATOM 301 C GLY A 22 5.676 4.844 6.952 1.00 0.00 C ATOM 302 O GLY A 22 6.333 4.315 7.849 1.00 0.00 O ATOM 0 H GLY A 22 4.969 7.575 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.506 6.788 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.279 6.650 7.996 1.00 0.00 H new ATOM 306 N MET A 23 5.094 4.134 5.994 1.00 0.00 N ATOM 307 CA MET A 23 5.251 2.669 5.992 1.00 0.00 C ATOM 308 C MET A 23 6.527 2.347 5.235 1.00 0.00 C ATOM 309 O MET A 23 7.176 3.247 4.703 1.00 0.00 O ATOM 310 CB MET A 23 4.039 1.952 5.397 1.00 0.00 C ATOM 311 CG MET A 23 2.774 2.312 6.179 1.00 0.00 C ATOM 312 SD MET A 23 1.868 0.820 6.599 1.00 0.00 S ATOM 313 CE MET A 23 2.962 0.237 7.905 1.00 0.00 C ATOM 0 H MET A 23 4.531 4.518 5.235 1.00 0.00 H new ATOM 0 HA MET A 23 5.319 2.307 7.018 1.00 0.00 H new ATOM 0 HB2 MET A 23 3.920 2.232 4.350 1.00 0.00 H new ATOM 0 HB3 MET A 23 4.197 0.874 5.423 1.00 0.00 H new ATOM 0 HG2 MET A 23 3.039 2.854 7.087 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.145 2.974 5.584 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.523 -0.638 8.384 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.929 -0.030 7.478 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.097 1.026 8.645 1.00 0.00 H new ATOM 323 N ARG A 24 6.901 1.077 5.189 1.00 0.00 N ATOM 324 CA ARG A 24 8.127 0.731 4.465 1.00 0.00 C ATOM 325 C ARG A 24 7.755 0.596 3.002 1.00 0.00 C ATOM 326 O ARG A 24 7.352 1.542 2.328 1.00 0.00 O ATOM 327 CB ARG A 24 8.802 -0.502 5.078 1.00 0.00 C ATOM 328 CG ARG A 24 9.286 -0.172 6.483 1.00 0.00 C ATOM 329 CD ARG A 24 10.172 -1.303 7.013 1.00 0.00 C ATOM 330 NE ARG A 24 10.750 -0.969 8.324 1.00 0.00 N ATOM 331 CZ ARG A 24 11.858 -0.239 8.460 1.00 0.00 C ATOM 332 NH1 ARG A 24 12.526 0.243 7.424 1.00 0.00 N ATOM 333 NH2 ARG A 24 12.306 0.012 9.676 1.00 0.00 N ATOM 0 H ARG A 24 6.404 0.297 5.620 1.00 0.00 H new ATOM 0 HA ARG A 24 8.887 1.508 4.550 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.100 -1.335 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 24 9.641 -0.816 4.457 1.00 0.00 H new ATOM 0 HG2 ARG A 24 9.845 0.764 6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.433 -0.027 7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.585 -2.218 7.096 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.973 -1.502 6.301 1.00 0.00 H new ATOM 0 HE ARG A 24 10.284 -1.310 9.165 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.197 0.061 6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.369 0.797 7.574 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.807 -0.350 10.488 1.00 0.00 H new ATOM 0 HH22 ARG A 24 13.152 0.568 9.803 1.00 0.00 H new ATOM 346 N PHE A 25 7.877 -0.612 2.523 1.00 0.00 N ATOM 347 CA PHE A 25 7.547 -0.861 1.120 1.00 0.00 C ATOM 348 C PHE A 25 6.042 -0.772 0.934 1.00 0.00 C ATOM 349 O PHE A 25 5.290 -0.639 1.896 1.00 0.00 O ATOM 350 CB PHE A 25 8.036 -2.235 0.679 1.00 0.00 C ATOM 351 CG PHE A 25 9.476 -2.447 1.083 1.00 0.00 C ATOM 352 CD1 PHE A 25 10.444 -1.701 0.533 1.00 0.00 C ATOM 353 CD2 PHE A 25 9.785 -3.381 1.993 1.00 0.00 C ATOM 354 CE1 PHE A 25 11.721 -1.890 0.893 1.00 0.00 C ATOM 355 CE2 PHE A 25 11.062 -3.570 2.353 1.00 0.00 C ATOM 356 CZ PHE A 25 12.030 -2.824 1.803 1.00 0.00 C ATOM 0 H PHE A 25 8.191 -1.425 3.052 1.00 0.00 H new ATOM 0 HA PHE A 25 8.044 -0.108 0.508 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.411 -3.009 1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.939 -2.331 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.195 -0.948 -0.200 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.005 -3.982 2.436 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.501 -1.289 0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.311 -4.323 3.086 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.059 -2.976 2.093 1.00 0.00 H new ATOM 366 N GLY A 26 5.626 -0.866 -0.320 1.00 0.00 N ATOM 367 CA GLY A 26 4.198 -0.794 -0.654 1.00 0.00 C ATOM 368 C GLY A 26 3.805 -1.997 -1.489 1.00 0.00 C ATOM 369 O GLY A 26 4.626 -2.557 -2.215 1.00 0.00 O ATOM 0 H GLY A 26 6.244 -0.991 -1.121 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.603 -0.763 0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.989 0.125 -1.202 1.00 0.00 H new ATOM 373 N LYS A 27 2.539 -2.376 -1.379 1.00 0.00 N ATOM 374 CA LYS A 27 2.059 -3.534 -2.148 1.00 0.00 C ATOM 375 C LYS A 27 0.608 -3.304 -2.574 1.00 0.00 C ATOM 376 O LYS A 27 -0.015 -2.326 -2.163 1.00 0.00 O ATOM 377 CB LYS A 27 2.199 -4.754 -1.230 1.00 0.00 C ATOM 378 CG LYS A 27 2.536 -6.057 -1.960 1.00 0.00 C ATOM 379 CD LYS A 27 3.997 -6.101 -2.409 1.00 0.00 C ATOM 380 CE LYS A 27 4.310 -7.455 -3.040 1.00 0.00 C ATOM 381 NZ LYS A 27 5.718 -7.495 -3.460 1.00 0.00 N ATOM 0 H LYS A 27 1.841 -1.923 -0.789 1.00 0.00 H new ATOM 0 HA LYS A 27 2.634 -3.688 -3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.977 -4.552 -0.493 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.267 -4.890 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.333 -6.903 -1.304 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.886 -6.164 -2.829 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.189 -5.303 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.653 -5.928 -1.556 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.111 -8.254 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.660 -7.626 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.926 -8.419 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.894 -6.743 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.331 -7.352 -2.632 1.00 0.00 H new ATOM 394 N CYS A 28 0.085 -4.200 -3.409 1.00 0.00 N ATOM 395 CA CYS A 28 -1.301 -4.082 -3.880 1.00 0.00 C ATOM 396 C CYS A 28 -1.856 -5.486 -3.965 1.00 0.00 C ATOM 397 O CYS A 28 -1.334 -6.376 -4.635 1.00 0.00 O ATOM 398 CB CYS A 28 -1.444 -3.441 -5.253 1.00 0.00 C ATOM 399 SG CYS A 28 -3.159 -3.430 -5.835 1.00 0.00 S ATOM 0 H CYS A 28 0.590 -5.008 -3.772 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.831 -3.437 -3.180 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.070 -2.418 -5.214 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.824 -3.980 -5.969 1.00 0.00 H new ATOM 404 N MET A 29 -2.928 -5.676 -3.230 1.00 0.00 N ATOM 405 CA MET A 29 -3.581 -6.988 -3.207 1.00 0.00 C ATOM 406 C MET A 29 -5.056 -6.785 -2.900 1.00 0.00 C ATOM 407 O MET A 29 -5.423 -5.897 -2.129 1.00 0.00 O ATOM 408 CB MET A 29 -3.011 -7.888 -2.105 1.00 0.00 C ATOM 409 CG MET A 29 -1.734 -8.621 -2.520 1.00 0.00 C ATOM 410 SD MET A 29 -1.192 -9.713 -1.194 1.00 0.00 S ATOM 411 CE MET A 29 -0.504 -8.496 -0.058 1.00 0.00 C ATOM 0 H MET A 29 -3.367 -4.963 -2.648 1.00 0.00 H new ATOM 0 HA MET A 29 -3.417 -7.460 -4.176 1.00 0.00 H new ATOM 0 HB2 MET A 29 -2.803 -7.283 -1.223 1.00 0.00 H new ATOM 0 HB3 MET A 29 -3.765 -8.621 -1.818 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.915 -9.198 -3.427 1.00 0.00 H new ATOM 0 HG3 MET A 29 -0.950 -7.900 -2.752 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.509 -8.788 0.218 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.481 -7.519 -0.541 1.00 0.00 H new ATOM 0 HE3 MET A 29 -1.123 -8.443 0.838 1.00 0.00 H new ATOM 421 N ASN A 30 -5.885 -7.597 -3.556 1.00 0.00 N ATOM 422 CA ASN A 30 -7.346 -7.539 -3.374 1.00 0.00 C ATOM 423 C ASN A 30 -7.962 -6.164 -3.613 1.00 0.00 C ATOM 424 O ASN A 30 -8.827 -5.732 -2.852 1.00 0.00 O ATOM 425 CB ASN A 30 -7.673 -7.995 -1.954 1.00 0.00 C ATOM 426 CG ASN A 30 -7.130 -9.393 -1.702 1.00 0.00 C ATOM 427 OD1 ASN A 30 -6.958 -10.196 -2.618 1.00 0.00 O ATOM 428 ND2 ASN A 30 -6.852 -9.697 -0.448 1.00 0.00 N ATOM 0 H ASN A 30 -5.575 -8.306 -4.221 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.780 -8.194 -4.129 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.244 -7.297 -1.235 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.752 -7.986 -1.803 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -6.484 -10.620 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -7.006 -9.009 0.290 1.00 0.00 H new ATOM 435 N ARG A 31 -7.491 -5.481 -4.652 1.00 0.00 N ATOM 436 CA ARG A 31 -7.991 -4.144 -4.988 1.00 0.00 C ATOM 437 C ARG A 31 -7.763 -3.145 -3.850 1.00 0.00 C ATOM 438 O ARG A 31 -8.608 -2.288 -3.597 1.00 0.00 O ATOM 439 CB ARG A 31 -9.461 -4.167 -5.413 1.00 0.00 C ATOM 440 CG ARG A 31 -9.663 -5.031 -6.658 1.00 0.00 C ATOM 441 CD ARG A 31 -11.097 -4.917 -7.183 1.00 0.00 C ATOM 442 NE ARG A 31 -12.084 -5.382 -6.196 1.00 0.00 N ATOM 443 CZ ARG A 31 -12.402 -6.669 -6.048 1.00 0.00 C ATOM 444 NH1 ARG A 31 -11.855 -7.627 -6.778 1.00 0.00 N ATOM 445 NH2 ARG A 31 -13.299 -6.999 -5.138 1.00 0.00 N ATOM 0 H ARG A 31 -6.764 -5.828 -5.278 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.410 -3.805 -5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.072 -4.552 -4.597 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.800 -3.151 -5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.963 -4.724 -7.435 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.441 -6.072 -6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.306 -3.880 -7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.196 -5.502 -8.098 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.544 -4.693 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.160 -7.394 -7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.128 -8.599 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.734 -6.276 -4.565 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.557 -7.977 -5.008 1.00 0.00 H new ATOM 458 N LYS A 32 -6.623 -3.210 -3.166 1.00 0.00 N ATOM 459 CA LYS A 32 -6.401 -2.258 -2.076 1.00 0.00 C ATOM 460 C LYS A 32 -4.914 -2.193 -1.768 1.00 0.00 C ATOM 461 O LYS A 32 -4.220 -3.198 -1.895 1.00 0.00 O ATOM 462 CB LYS A 32 -7.160 -2.770 -0.849 1.00 0.00 C ATOM 463 CG LYS A 32 -7.271 -1.718 0.252 1.00 0.00 C ATOM 464 CD LYS A 32 -8.176 -2.242 1.364 1.00 0.00 C ATOM 465 CE LYS A 32 -8.295 -1.225 2.495 1.00 0.00 C ATOM 466 NZ LYS A 32 -9.194 -1.743 3.536 1.00 0.00 N ATOM 0 H LYS A 32 -5.870 -3.877 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.751 -1.263 -2.350 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.160 -3.084 -1.149 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.654 -3.652 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.283 -1.487 0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.675 -0.791 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.165 -2.460 0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.776 -3.179 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.312 -1.022 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.677 -0.280 2.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.929 -1.338 4.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.174 -1.479 3.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.115 -2.779 3.579 1.00 0.00 H new ATOM 479 N CYS A 33 -4.380 -1.032 -1.414 1.00 0.00 N ATOM 480 CA CYS A 33 -2.960 -0.993 -1.118 1.00 0.00 C ATOM 481 C CYS A 33 -2.612 -1.402 0.290 1.00 0.00 C ATOM 482 O CYS A 33 -2.988 -0.769 1.276 1.00 0.00 O ATOM 483 CB CYS A 33 -2.558 0.454 -1.204 1.00 0.00 C ATOM 484 SG CYS A 33 -2.816 0.963 -2.889 1.00 0.00 S ATOM 0 H CYS A 33 -4.880 -0.147 -1.328 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.466 -1.675 -1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.153 1.061 -0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.514 0.582 -0.917 1.00 0.00 H new ATOM 489 N HIS A 34 -1.913 -2.511 0.330 1.00 0.00 N ATOM 490 CA HIS A 34 -1.465 -3.056 1.607 1.00 0.00 C ATOM 491 C HIS A 34 -0.054 -2.521 1.621 1.00 0.00 C ATOM 492 O HIS A 34 0.406 -2.024 0.593 1.00 0.00 O ATOM 493 CB HIS A 34 -1.483 -4.586 1.669 1.00 0.00 C ATOM 494 CG HIS A 34 -2.879 -5.110 1.935 1.00 0.00 C ATOM 495 ND1 HIS A 34 -3.317 -5.668 3.129 1.00 0.00 N ATOM 496 CD2 HIS A 34 -3.919 -5.023 1.015 1.00 0.00 C ATOM 497 CE1 HIS A 34 -4.638 -5.856 2.786 1.00 0.00 C ATOM 498 NE2 HIS A 34 -5.088 -5.516 1.544 1.00 0.00 N ATOM 0 H HIS A 34 -1.641 -3.054 -0.490 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.096 -2.779 2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.112 -4.994 0.729 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.808 -4.928 2.454 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.821 -4.621 0.017 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.323 -6.276 3.507 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.016 -5.602 1.131 1.00 0.00 H new ATOM 506 N CYS A 35 0.619 -2.594 2.751 1.00 0.00 N ATOM 507 CA CYS A 35 1.997 -2.090 2.790 1.00 0.00 C ATOM 508 C CYS A 35 2.760 -3.026 3.714 1.00 0.00 C ATOM 509 O CYS A 35 2.165 -3.936 4.291 1.00 0.00 O ATOM 510 CB CYS A 35 2.123 -0.637 3.243 1.00 0.00 C ATOM 511 SG CYS A 35 0.978 0.525 2.464 1.00 0.00 S ATOM 0 H CYS A 35 0.263 -2.978 3.626 1.00 0.00 H new ATOM 0 HA CYS A 35 2.405 -2.081 1.779 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.975 -0.597 4.322 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.142 -0.301 3.049 1.00 0.00 H new ATOM 516 N THR A 36 4.066 -2.829 3.848 1.00 0.00 N ATOM 517 CA THR A 36 4.839 -3.716 4.724 1.00 0.00 C ATOM 518 C THR A 36 4.839 -3.108 6.142 1.00 0.00 C ATOM 519 O THR A 36 4.962 -1.888 6.233 1.00 0.00 O ATOM 520 CB THR A 36 6.251 -3.757 4.143 1.00 0.00 C ATOM 521 OG1 THR A 36 6.180 -4.283 2.827 1.00 0.00 O ATOM 522 CG2 THR A 36 7.189 -4.636 4.969 1.00 0.00 C ATOM 0 H THR A 36 4.600 -2.095 3.384 1.00 0.00 H new ATOM 0 HA THR A 36 4.427 -4.723 4.785 1.00 0.00 H new ATOM 0 HB THR A 36 6.649 -2.742 4.150 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.063 -4.612 2.558 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.181 -4.634 4.517 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.252 -4.246 5.985 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.804 -5.655 4.995 1.00 0.00 H new ATOM 530 N PRO A 37 4.740 -3.810 7.279 1.00 0.00 N ATOM 531 CA PRO A 37 4.749 -3.142 8.577 1.00 0.00 C ATOM 532 C PRO A 37 6.142 -2.643 8.918 1.00 0.00 C ATOM 533 O PRO A 37 7.155 -3.235 8.549 1.00 0.00 O ATOM 534 CB PRO A 37 4.317 -4.256 9.530 1.00 0.00 C ATOM 535 CG PRO A 37 4.788 -5.536 8.847 1.00 0.00 C ATOM 536 CD PRO A 37 4.555 -5.257 7.366 1.00 0.00 C ATOM 0 HA PRO A 37 4.105 -2.263 8.619 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.773 -4.138 10.513 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.237 -4.257 9.678 1.00 0.00 H new ATOM 0 HG2 PRO A 37 5.838 -5.739 9.057 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.221 -6.403 9.186 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.264 -5.794 6.736 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.556 -5.557 7.050 1.00 0.00 H new ATOM 544 N LYS A 38 6.195 -1.537 9.638 1.00 0.00 N ATOM 545 CA LYS A 38 7.501 -0.997 10.005 1.00 0.00 C ATOM 546 C LYS A 38 8.090 -1.823 11.138 1.00 0.00 C ATOM 547 O LYS A 38 7.427 -2.593 11.831 1.00 0.00 O ATOM 548 CB LYS A 38 7.384 0.483 10.383 1.00 0.00 C ATOM 549 CG LYS A 38 6.469 0.753 11.581 1.00 0.00 C ATOM 550 CD LYS A 38 6.419 2.256 11.851 1.00 0.00 C ATOM 551 CE LYS A 38 5.448 2.595 12.981 1.00 0.00 C ATOM 552 NZ LYS A 38 5.925 2.043 14.258 1.00 0.00 N ATOM 553 OXT LYS A 38 9.434 -1.603 11.286 1.00 0.00 O ATOM 0 H LYS A 38 5.388 -1.010 9.971 1.00 0.00 H new ATOM 0 HA LYS A 38 8.175 -1.058 9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.379 0.870 10.605 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.011 1.038 9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.467 0.375 11.380 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.838 0.226 12.461 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.416 2.613 12.109 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.118 2.779 10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.341 3.677 13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.461 2.194 12.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.328 2.396 15.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.875 1.005 14.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.910 2.338 14.418 1.00 0.00 H new