USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 286 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc=-0.00389 K(o=-0.0039,f=-1.5) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0.0845 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.632 F(o=-4.2!,f=-0.63) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.148 0.507 11.963 1.00 1.00 N ATOM 2 CA GLY A 1 4.136 -0.068 11.032 1.00 1.00 C ATOM 3 C GLY A 1 3.789 0.826 9.900 1.00 1.00 C ATOM 4 O GLY A 1 2.839 1.603 10.039 1.00 1.00 O ATOM 0 H1 GLY A 1 5.341 -0.171 12.728 1.00 1.00 H new ATOM 0 H2 GLY A 1 6.027 0.702 11.443 1.00 1.00 H new ATOM 0 H3 GLY A 1 4.783 1.392 12.369 1.00 1.00 H new ATOM 0 HA2 GLY A 1 4.514 -1.010 10.636 1.00 1.00 H new ATOM 0 HA3 GLY A 1 3.230 -0.298 11.592 1.00 1.00 H new ATOM 7 N VAL A 2 4.518 0.767 8.769 1.00 1.00 N ATOM 8 CA VAL A 2 4.045 1.567 7.672 1.00 1.00 C ATOM 9 C VAL A 2 3.271 0.601 6.799 1.00 1.00 C ATOM 10 O VAL A 2 3.799 -0.125 5.957 1.00 1.00 O ATOM 11 CB VAL A 2 5.202 2.209 6.875 1.00 1.00 C ATOM 12 CG1 VAL A 2 5.737 3.432 7.605 1.00 1.00 C ATOM 13 CG2 VAL A 2 6.318 1.201 6.628 1.00 1.00 C ATOM 0 H VAL A 2 5.363 0.218 8.613 1.00 1.00 H new ATOM 0 HA VAL A 2 3.438 2.401 8.025 1.00 1.00 H new ATOM 0 HB VAL A 2 4.813 2.526 5.907 1.00 1.00 H new ATOM 0 HG11 VAL A 2 6.552 3.872 7.030 1.00 1.00 H new ATOM 0 HG12 VAL A 2 4.938 4.164 7.722 1.00 1.00 H new ATOM 0 HG13 VAL A 2 6.105 3.137 8.588 1.00 1.00 H new ATOM 0 HG21 VAL A 2 7.121 1.677 6.065 1.00 1.00 H new ATOM 0 HG22 VAL A 2 6.706 0.846 7.583 1.00 1.00 H new ATOM 0 HG23 VAL A 2 5.927 0.357 6.059 1.00 1.00 H new ATOM 23 N GLU A 3 1.986 0.654 7.066 1.00 1.00 N ATOM 24 CA GLU A 3 0.932 -0.098 6.418 1.00 1.00 C ATOM 25 C GLU A 3 -0.288 0.738 6.579 1.00 1.00 C ATOM 26 O GLU A 3 -0.341 1.568 7.497 1.00 1.00 O ATOM 27 CB GLU A 3 0.747 -1.466 7.085 1.00 1.00 C ATOM 28 CG GLU A 3 0.538 -1.385 8.592 1.00 1.00 C ATOM 29 CD GLU A 3 0.600 -2.741 9.275 1.00 1.00 C ATOM 30 OE1 GLU A 3 0.913 -3.741 8.594 1.00 1.00 O ATOM 31 OE2 GLU A 3 0.336 -2.801 10.497 1.00 1.00 O ATOM 0 H GLU A 3 1.622 1.268 7.795 1.00 1.00 H new ATOM 0 HA GLU A 3 1.157 -0.298 5.370 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -0.109 -1.968 6.634 1.00 1.00 H new ATOM 0 HB3 GLU A 3 1.622 -2.082 6.880 1.00 1.00 H new ATOM 0 HG2 GLU A 3 1.297 -0.732 9.024 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -0.430 -0.926 8.795 1.00 1.00 H new ATOM 38 N ILE A 4 -1.255 0.565 5.744 1.00 1.00 N ATOM 39 CA ILE A 4 -2.462 1.318 5.912 1.00 1.00 C ATOM 40 C ILE A 4 -3.626 0.394 5.654 1.00 1.00 C ATOM 41 O ILE A 4 -3.506 -0.490 4.802 1.00 1.00 O ATOM 42 CB ILE A 4 -2.535 2.547 4.964 1.00 1.00 C ATOM 43 CG1 ILE A 4 -1.742 2.313 3.647 1.00 1.00 C ATOM 44 CG2 ILE A 4 -2.032 3.792 5.685 1.00 1.00 C ATOM 45 CD1 ILE A 4 -0.236 2.340 3.819 1.00 1.00 C ATOM 0 H ILE A 4 -1.241 -0.077 4.951 1.00 1.00 H new ATOM 0 HA ILE A 4 -2.489 1.711 6.928 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.579 2.694 4.686 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -2.032 1.350 3.227 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -2.028 3.076 2.923 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -2.087 4.649 5.013 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -2.651 3.979 6.563 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -0.998 3.640 5.996 1.00 1.00 H new ATOM 0 HD11 ILE A 4 0.243 2.169 2.855 1.00 1.00 H new ATOM 0 HD12 ILE A 4 0.068 3.312 4.208 1.00 1.00 H new ATOM 0 HD13 ILE A 4 0.065 1.559 4.517 1.00 1.00 H new ATOM 57 N ASN A 5 -4.750 0.558 6.357 1.00 1.00 N ATOM 58 CA ASN A 5 -5.835 -0.353 6.084 1.00 1.00 C ATOM 59 C ASN A 5 -6.557 0.141 4.851 1.00 1.00 C ATOM 60 O ASN A 5 -7.270 1.145 4.870 1.00 1.00 O ATOM 61 CB ASN A 5 -6.795 -0.418 7.277 1.00 1.00 C ATOM 62 CG ASN A 5 -7.866 -1.478 7.114 1.00 1.00 C ATOM 63 OD1 ASN A 5 -7.747 -2.378 6.283 1.00 1.00 O ATOM 64 ND2 ASN A 5 -8.923 -1.375 7.911 1.00 1.00 N ATOM 0 H ASN A 5 -4.918 1.267 7.071 1.00 1.00 H new ATOM 0 HA ASN A 5 -5.449 -1.358 5.917 1.00 1.00 H new ATOM 0 HB2 ASN A 5 -6.226 -0.620 8.184 1.00 1.00 H new ATOM 0 HB3 ASN A 5 -7.270 0.554 7.408 1.00 1.00 H new ATOM 0 HD21 ASN A 5 -9.678 -2.058 7.848 1.00 1.00 H new ATOM 0 HD22 ASN A 5 -8.980 -0.612 8.586 1.00 1.00 H new ATOM 71 N VAL A 6 -6.350 -0.604 3.778 1.00 1.00 N ATOM 72 CA VAL A 6 -6.959 -0.330 2.502 1.00 1.00 C ATOM 73 C VAL A 6 -7.325 -1.659 1.847 1.00 1.00 C ATOM 74 O VAL A 6 -6.605 -2.646 2.016 1.00 1.00 O ATOM 75 CB VAL A 6 -6.045 0.584 1.601 1.00 1.00 C ATOM 76 CG1 VAL A 6 -6.258 0.347 0.106 1.00 1.00 C ATOM 77 CG2 VAL A 6 -6.315 2.045 1.930 1.00 1.00 C ATOM 0 H VAL A 6 -5.745 -1.425 3.776 1.00 1.00 H new ATOM 0 HA VAL A 6 -7.874 0.247 2.640 1.00 1.00 H new ATOM 0 HB VAL A 6 -5.009 0.324 1.820 1.00 1.00 H new ATOM 0 HG11 VAL A 6 -5.602 1.005 -0.464 1.00 1.00 H new ATOM 0 HG12 VAL A 6 -6.029 -0.691 -0.134 1.00 1.00 H new ATOM 0 HG13 VAL A 6 -7.296 0.558 -0.152 1.00 1.00 H new ATOM 0 HG21 VAL A 6 -5.684 2.681 1.308 1.00 1.00 H new ATOM 0 HG22 VAL A 6 -7.363 2.274 1.737 1.00 1.00 H new ATOM 0 HG23 VAL A 6 -6.091 2.229 2.981 1.00 1.00 H new ATOM 87 N LYS A 7 -8.423 -1.704 1.110 1.00 1.00 N ATOM 88 CA LYS A 7 -8.801 -2.939 0.444 1.00 1.00 C ATOM 89 C LYS A 7 -7.946 -3.080 -0.809 1.00 1.00 C ATOM 90 O LYS A 7 -8.067 -2.284 -1.741 1.00 1.00 O ATOM 91 CB LYS A 7 -10.291 -2.925 0.082 1.00 1.00 C ATOM 92 CG LYS A 7 -10.925 -4.312 0.030 1.00 1.00 C ATOM 93 CD LYS A 7 -11.902 -4.537 1.182 1.00 1.00 C ATOM 94 CE LYS A 7 -12.718 -5.807 0.979 1.00 1.00 C ATOM 95 NZ LYS A 7 -14.114 -5.661 1.481 1.00 1.00 N ATOM 0 H LYS A 7 -9.056 -0.918 0.960 1.00 1.00 H new ATOM 0 HA LYS A 7 -8.635 -3.787 1.108 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.827 -2.318 0.812 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -10.415 -2.442 -0.887 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -11.448 -4.437 -0.918 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -10.143 -5.070 0.065 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -11.351 -4.603 2.120 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -12.572 -3.681 1.265 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -12.739 -6.059 -0.081 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -12.232 -6.636 1.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -14.634 -6.548 1.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -14.096 -5.446 2.498 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -14.587 -4.887 0.972 1.00 1.00 H new ATOM 109 N CYS A 8 -7.085 -4.099 -0.834 1.00 1.00 N ATOM 110 CA CYS A 8 -6.199 -4.300 -1.975 1.00 1.00 C ATOM 111 C CYS A 8 -6.327 -5.693 -2.555 1.00 1.00 C ATOM 112 O CYS A 8 -6.736 -6.650 -1.895 1.00 1.00 O ATOM 113 CB CYS A 8 -4.702 -4.038 -1.608 1.00 1.00 C ATOM 114 SG CYS A 8 -3.781 -5.435 -0.858 1.00 1.00 S ATOM 0 H CYS A 8 -6.985 -4.787 -0.088 1.00 1.00 H new ATOM 0 HA CYS A 8 -6.513 -3.574 -2.725 1.00 1.00 H new ATOM 0 HB2 CYS A 8 -4.178 -3.732 -2.514 1.00 1.00 H new ATOM 0 HB3 CYS A 8 -4.663 -3.195 -0.918 1.00 1.00 H new ATOM 119 N SER A 9 -5.963 -5.758 -3.811 1.00 1.00 N ATOM 120 CA SER A 9 -5.942 -6.971 -4.575 1.00 1.00 C ATOM 121 C SER A 9 -4.730 -6.857 -5.479 1.00 1.00 C ATOM 122 O SER A 9 -4.611 -5.884 -6.218 1.00 1.00 O ATOM 123 CB SER A 9 -7.239 -7.057 -5.368 1.00 1.00 C ATOM 124 OG SER A 9 -7.881 -8.307 -5.179 1.00 1.00 O ATOM 0 H SER A 9 -5.665 -4.940 -4.343 1.00 1.00 H new ATOM 0 HA SER A 9 -5.872 -7.872 -3.966 1.00 1.00 H new ATOM 0 HB2 SER A 9 -7.908 -6.253 -5.062 1.00 1.00 H new ATOM 0 HB3 SER A 9 -7.029 -6.911 -6.428 1.00 1.00 H new ATOM 0 HG SER A 9 -8.711 -8.330 -5.699 1.00 1.00 H new ATOM 130 N GLY A 10 -3.846 -7.835 -5.452 1.00 1.00 N ATOM 131 CA GLY A 10 -2.644 -7.715 -6.247 1.00 1.00 C ATOM 132 C GLY A 10 -1.779 -6.564 -5.752 1.00 1.00 C ATOM 133 O GLY A 10 -2.242 -5.732 -4.973 1.00 1.00 O ATOM 0 H GLY A 10 -3.932 -8.693 -4.908 1.00 1.00 H new ATOM 0 HA2 GLY A 10 -2.079 -8.646 -6.202 1.00 1.00 H new ATOM 0 HA3 GLY A 10 -2.909 -7.553 -7.292 1.00 1.00 H new ATOM 137 N SER A 11 -0.531 -6.508 -6.197 1.00 1.00 N ATOM 138 CA SER A 11 0.391 -5.452 -5.770 1.00 1.00 C ATOM 139 C SER A 11 -0.022 -4.055 -6.277 1.00 1.00 C ATOM 140 O SER A 11 -0.091 -3.097 -5.502 1.00 1.00 O ATOM 141 CB SER A 11 1.819 -5.777 -6.235 1.00 1.00 C ATOM 142 OG SER A 11 1.894 -7.070 -6.817 1.00 1.00 O ATOM 0 H SER A 11 -0.130 -7.178 -6.853 1.00 1.00 H new ATOM 0 HA SER A 11 0.353 -5.421 -4.681 1.00 1.00 H new ATOM 0 HB2 SER A 11 2.146 -5.031 -6.959 1.00 1.00 H new ATOM 0 HB3 SER A 11 2.501 -5.718 -5.387 1.00 1.00 H new ATOM 0 HG SER A 11 2.814 -7.247 -7.104 1.00 1.00 H new ATOM 148 N PRO A 12 -0.301 -3.921 -7.586 1.00 1.00 N ATOM 149 CA PRO A 12 -0.667 -2.632 -8.198 1.00 1.00 C ATOM 150 C PRO A 12 -1.840 -1.929 -7.526 1.00 1.00 C ATOM 151 O PRO A 12 -1.870 -0.702 -7.445 1.00 1.00 O ATOM 152 CB PRO A 12 -1.059 -3.024 -9.616 1.00 1.00 C ATOM 153 CG PRO A 12 -0.238 -4.233 -9.881 1.00 1.00 C ATOM 154 CD PRO A 12 -0.248 -4.997 -8.588 1.00 1.00 C ATOM 0 HA PRO A 12 0.157 -1.922 -8.119 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -2.125 -3.238 -9.693 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -0.841 -2.227 -10.327 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -0.658 -4.826 -10.694 1.00 1.00 H new ATOM 0 HG3 PRO A 12 0.777 -3.965 -10.174 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -1.108 -5.662 -8.516 1.00 1.00 H new ATOM 0 HD3 PRO A 12 0.643 -5.615 -8.474 1.00 1.00 H new ATOM 162 N GLN A 13 -2.812 -2.699 -7.055 1.00 1.00 N ATOM 163 CA GLN A 13 -3.982 -2.118 -6.408 1.00 1.00 C ATOM 164 C GLN A 13 -3.584 -1.317 -5.172 1.00 1.00 C ATOM 165 O GLN A 13 -4.224 -0.320 -4.854 1.00 1.00 O ATOM 166 CB GLN A 13 -4.985 -3.200 -6.043 1.00 1.00 C ATOM 167 CG GLN A 13 -6.361 -2.665 -5.666 1.00 1.00 C ATOM 168 CD GLN A 13 -7.434 -3.047 -6.671 1.00 1.00 C ATOM 169 OE1 GLN A 13 -7.260 -2.875 -7.878 1.00 1.00 O ATOM 170 NE2 GLN A 13 -8.550 -3.570 -6.177 1.00 1.00 N ATOM 0 H GLN A 13 -2.815 -3.718 -7.107 1.00 1.00 H new ATOM 0 HA GLN A 13 -4.453 -1.435 -7.115 1.00 1.00 H new ATOM 0 HB2 GLN A 13 -5.090 -3.883 -6.886 1.00 1.00 H new ATOM 0 HB3 GLN A 13 -4.591 -3.781 -5.209 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -6.638 -3.046 -4.683 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -6.315 -1.579 -5.585 1.00 1.00 H new ATOM 0 HE21 GLN A 13 -8.652 -3.695 -5.170 1.00 1.00 H new ATOM 0 HE22 GLN A 13 -9.305 -3.847 -6.805 1.00 1.00 H new ATOM 179 N CYS A 14 -2.546 -1.772 -4.462 1.00 1.00 N ATOM 180 CA CYS A 14 -2.049 -1.044 -3.289 1.00 1.00 C ATOM 181 C CYS A 14 -1.144 0.107 -3.748 1.00 1.00 C ATOM 182 O CYS A 14 -0.907 1.068 -3.011 1.00 1.00 O ATOM 183 CB CYS A 14 -1.304 -1.974 -2.321 1.00 1.00 C ATOM 184 SG CYS A 14 -0.955 -1.242 -0.674 1.00 1.00 S ATOM 0 H CYS A 14 -2.039 -2.631 -4.675 1.00 1.00 H new ATOM 0 HA CYS A 14 -2.902 -0.636 -2.747 1.00 1.00 H new ATOM 0 HB2 CYS A 14 -1.893 -2.881 -2.184 1.00 1.00 H new ATOM 0 HB3 CYS A 14 -0.361 -2.273 -2.778 1.00 1.00 H new ATOM 189 N LEU A 15 -0.622 0.002 -4.971 1.00 1.00 N ATOM 190 CA LEU A 15 0.197 1.065 -5.530 1.00 1.00 C ATOM 191 C LEU A 15 -0.640 2.343 -5.673 1.00 1.00 C ATOM 192 O LEU A 15 -0.119 3.452 -5.554 1.00 1.00 O ATOM 193 CB LEU A 15 0.774 0.648 -6.894 1.00 1.00 C ATOM 194 CG LEU A 15 2.295 0.444 -6.931 1.00 1.00 C ATOM 195 CD1 LEU A 15 2.770 0.247 -8.364 1.00 1.00 C ATOM 196 CD2 LEU A 15 3.016 1.623 -6.291 1.00 1.00 C ATOM 0 H LEU A 15 -0.753 -0.802 -5.584 1.00 1.00 H new ATOM 0 HA LEU A 15 1.030 1.257 -4.854 1.00 1.00 H new ATOM 0 HB2 LEU A 15 0.292 -0.279 -7.205 1.00 1.00 H new ATOM 0 HB3 LEU A 15 0.508 1.407 -7.629 1.00 1.00 H new ATOM 0 HG LEU A 15 2.532 -0.453 -6.358 1.00 1.00 H new ATOM 0 HD11 LEU A 15 3.851 0.104 -8.373 1.00 1.00 H new ATOM 0 HD12 LEU A 15 2.284 -0.630 -8.791 1.00 1.00 H new ATOM 0 HD13 LEU A 15 2.516 1.126 -8.956 1.00 1.00 H new ATOM 0 HD21 LEU A 15 4.092 1.455 -6.329 1.00 1.00 H new ATOM 0 HD22 LEU A 15 2.772 2.537 -6.833 1.00 1.00 H new ATOM 0 HD23 LEU A 15 2.701 1.722 -5.252 1.00 1.00 H new ATOM 208 N LYS A 16 -1.943 2.176 -5.931 1.00 1.00 N ATOM 209 CA LYS A 16 -2.841 3.320 -6.104 1.00 1.00 C ATOM 210 C LYS A 16 -3.033 4.116 -4.811 1.00 1.00 C ATOM 211 O LYS A 16 -2.833 5.331 -4.808 1.00 1.00 O ATOM 212 CB LYS A 16 -4.198 2.861 -6.650 1.00 1.00 C ATOM 213 CG LYS A 16 -4.732 3.750 -7.769 1.00 1.00 C ATOM 214 CD LYS A 16 -6.031 3.211 -8.347 1.00 1.00 C ATOM 215 CE LYS A 16 -6.411 3.934 -9.630 1.00 1.00 C ATOM 216 NZ LYS A 16 -7.655 3.382 -10.236 1.00 1.00 N ATOM 0 H LYS A 16 -2.395 1.266 -6.024 1.00 1.00 H new ATOM 0 HA LYS A 16 -2.368 3.986 -6.826 1.00 1.00 H new ATOM 0 HB2 LYS A 16 -4.106 1.840 -7.020 1.00 1.00 H new ATOM 0 HB3 LYS A 16 -4.922 2.841 -5.835 1.00 1.00 H new ATOM 0 HG2 LYS A 16 -4.895 4.758 -7.386 1.00 1.00 H new ATOM 0 HG3 LYS A 16 -3.986 3.826 -8.560 1.00 1.00 H new ATOM 0 HD2 LYS A 16 -5.927 2.144 -8.546 1.00 1.00 H new ATOM 0 HD3 LYS A 16 -6.831 3.322 -7.615 1.00 1.00 H new ATOM 0 HE2 LYS A 16 -6.550 4.995 -9.421 1.00 1.00 H new ATOM 0 HE3 LYS A 16 -5.593 3.855 -10.346 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 -7.877 3.903 -11.108 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 -7.515 2.376 -10.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 -8.442 3.481 -9.563 1.00 1.00 H new ATOM 230 N PRO A 17 -3.424 3.474 -3.688 1.00 1.00 N ATOM 231 CA PRO A 17 -3.584 4.195 -2.419 1.00 1.00 C ATOM 232 C PRO A 17 -2.283 4.906 -2.016 1.00 1.00 C ATOM 233 O PRO A 17 -2.291 6.060 -1.552 1.00 1.00 O ATOM 234 CB PRO A 17 -3.955 3.086 -1.404 1.00 1.00 C ATOM 235 CG PRO A 17 -3.662 1.793 -2.099 1.00 1.00 C ATOM 236 CD PRO A 17 -3.802 2.053 -3.570 1.00 1.00 C ATOM 0 HA PRO A 17 -4.339 4.979 -2.475 1.00 1.00 H new ATOM 0 HB2 PRO A 17 -3.371 3.181 -0.489 1.00 1.00 H new ATOM 0 HB3 PRO A 17 -5.005 3.150 -1.120 1.00 1.00 H new ATOM 0 HG2 PRO A 17 -2.657 1.445 -1.861 1.00 1.00 H new ATOM 0 HG3 PRO A 17 -4.353 1.015 -1.776 1.00 1.00 H new ATOM 0 HD2 PRO A 17 -3.147 1.410 -4.158 1.00 1.00 H new ATOM 0 HD3 PRO A 17 -4.820 1.875 -3.917 1.00 1.00 H new ATOM 244 N CYS A 18 -1.151 4.243 -2.257 1.00 1.00 N ATOM 245 CA CYS A 18 0.141 4.830 -1.924 1.00 1.00 C ATOM 246 C CYS A 18 0.482 5.974 -2.886 1.00 1.00 C ATOM 247 O CYS A 18 1.243 6.877 -2.539 1.00 1.00 O ATOM 248 CB CYS A 18 1.247 3.765 -1.932 1.00 1.00 C ATOM 249 SG CYS A 18 2.381 3.851 -0.499 1.00 1.00 S ATOM 0 H CYS A 18 -1.105 3.314 -2.675 1.00 1.00 H new ATOM 0 HA CYS A 18 0.075 5.240 -0.916 1.00 1.00 H new ATOM 0 HB2 CYS A 18 0.785 2.778 -1.957 1.00 1.00 H new ATOM 0 HB3 CYS A 18 1.829 3.868 -2.848 1.00 1.00 H new ATOM 254 N LYS A 19 -0.087 5.935 -4.096 1.00 1.00 N ATOM 255 CA LYS A 19 0.150 6.989 -5.081 1.00 1.00 C ATOM 256 C LYS A 19 -0.386 8.318 -4.562 1.00 1.00 C ATOM 257 O LYS A 19 0.268 9.355 -4.680 1.00 1.00 O ATOM 258 CB LYS A 19 -0.510 6.643 -6.420 1.00 1.00 C ATOM 259 CG LYS A 19 -0.311 7.706 -7.495 1.00 1.00 C ATOM 260 CD LYS A 19 -1.058 7.359 -8.774 1.00 1.00 C ATOM 261 CE LYS A 19 -0.730 8.331 -9.898 1.00 1.00 C ATOM 262 NZ LYS A 19 -1.922 8.635 -10.739 1.00 1.00 N ATOM 0 H LYS A 19 -0.709 5.191 -4.412 1.00 1.00 H new ATOM 0 HA LYS A 19 1.225 7.074 -5.241 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -0.107 5.696 -6.779 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -1.578 6.495 -6.261 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -0.656 8.670 -7.122 1.00 1.00 H new ATOM 0 HG3 LYS A 19 0.752 7.810 -7.711 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -0.801 6.346 -9.082 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -2.131 7.371 -8.584 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -0.340 9.256 -9.475 1.00 1.00 H new ATOM 0 HE3 LYS A 19 0.057 7.910 -10.523 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -1.655 9.300 -11.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -2.280 7.756 -11.164 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -2.664 9.061 -10.148 1.00 1.00 H new ATOM 276 N ASP A 20 -1.588 8.279 -3.989 1.00 1.00 N ATOM 277 CA ASP A 20 -2.207 9.475 -3.435 1.00 1.00 C ATOM 278 C ASP A 20 -1.458 9.933 -2.188 1.00 1.00 C ATOM 279 O ASP A 20 -1.495 11.112 -1.832 1.00 1.00 O ATOM 280 CB ASP A 20 -3.679 9.224 -3.101 1.00 1.00 C ATOM 281 CG ASP A 20 -4.521 10.483 -3.218 1.00 1.00 C ATOM 282 OD1 ASP A 20 -5.544 10.583 -2.507 1.00 1.00 O ATOM 283 OD2 ASP A 20 -4.159 11.369 -4.021 1.00 1.00 O ATOM 0 H ASP A 20 -2.149 7.432 -3.898 1.00 1.00 H new ATOM 0 HA ASP A 20 -2.154 10.262 -4.188 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -4.076 8.461 -3.771 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -3.757 8.831 -2.087 1.00 1.00 H new ATOM 288 N ALA A 21 -0.774 8.997 -1.520 1.00 1.00 N ATOM 289 CA ALA A 21 -0.014 9.342 -0.317 1.00 1.00 C ATOM 290 C ALA A 21 1.324 10.030 -0.643 1.00 1.00 C ATOM 291 O ALA A 21 2.015 10.501 0.260 1.00 1.00 O ATOM 292 CB ALA A 21 0.229 8.098 0.523 1.00 1.00 C ATOM 0 H ALA A 21 -0.732 8.013 -1.787 1.00 1.00 H new ATOM 0 HA ALA A 21 -0.613 10.055 0.248 1.00 1.00 H new ATOM 0 HB1 ALA A 21 0.795 8.366 1.415 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -0.727 7.665 0.817 1.00 1.00 H new ATOM 0 HB3 ALA A 21 0.794 7.370 -0.060 1.00 1.00 H new ATOM 298 N GLY A 22 1.687 10.092 -1.927 1.00 1.00 N ATOM 299 CA GLY A 22 2.924 10.760 -2.321 1.00 1.00 C ATOM 300 C GLY A 22 4.194 10.011 -1.943 1.00 1.00 C ATOM 301 O GLY A 22 5.276 10.600 -1.928 1.00 1.00 O ATOM 0 H GLY A 22 1.150 9.694 -2.698 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.913 10.910 -3.401 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.950 11.749 -1.862 1.00 1.00 H new ATOM 305 N MET A 23 4.077 8.723 -1.640 1.00 1.00 N ATOM 306 CA MET A 23 5.242 7.916 -1.267 1.00 1.00 C ATOM 307 C MET A 23 5.622 6.952 -2.394 1.00 1.00 C ATOM 308 O MET A 23 4.992 6.951 -3.452 1.00 1.00 O ATOM 309 CB MET A 23 4.961 7.148 0.025 1.00 1.00 C ATOM 310 CG MET A 23 4.717 8.053 1.223 1.00 1.00 C ATOM 311 SD MET A 23 6.088 9.184 1.535 1.00 1.00 S ATOM 312 CE MET A 23 5.214 10.623 2.147 1.00 1.00 C ATOM 0 H MET A 23 3.193 8.213 -1.644 1.00 1.00 H new ATOM 0 HA MET A 23 6.085 8.587 -1.099 1.00 1.00 H new ATOM 0 HB2 MET A 23 4.090 6.510 -0.122 1.00 1.00 H new ATOM 0 HB3 MET A 23 5.804 6.492 0.240 1.00 1.00 H new ATOM 0 HG2 MET A 23 3.807 8.629 1.058 1.00 1.00 H new ATOM 0 HG3 MET A 23 4.549 7.439 2.108 1.00 1.00 H new ATOM 0 HE1 MET A 23 5.930 11.410 2.384 1.00 1.00 H new ATOM 0 HE2 MET A 23 4.522 10.980 1.385 1.00 1.00 H new ATOM 0 HE3 MET A 23 4.658 10.356 3.046 1.00 1.00 H new ATOM 322 N ARG A 24 6.655 6.134 -2.171 1.00 1.00 N ATOM 323 CA ARG A 24 7.106 5.179 -3.188 1.00 1.00 C ATOM 324 C ARG A 24 7.198 3.749 -2.633 1.00 1.00 C ATOM 325 O ARG A 24 7.430 3.546 -1.441 1.00 1.00 O ATOM 326 CB ARG A 24 8.476 5.600 -3.740 1.00 1.00 C ATOM 327 CG ARG A 24 8.460 6.915 -4.513 1.00 1.00 C ATOM 328 CD ARG A 24 9.823 7.223 -5.123 1.00 1.00 C ATOM 329 NE ARG A 24 9.896 8.589 -5.648 1.00 1.00 N ATOM 330 CZ ARG A 24 10.991 9.126 -6.194 1.00 1.00 C ATOM 331 NH1 ARG A 24 12.112 8.420 -6.294 1.00 1.00 N ATOM 332 NH2 ARG A 24 10.964 10.374 -6.641 1.00 1.00 N ATOM 0 H ARG A 24 7.191 6.113 -1.303 1.00 1.00 H new ATOM 0 HA ARG A 24 6.365 5.185 -3.988 1.00 1.00 H new ATOM 0 HB2 ARG A 24 9.178 5.687 -2.911 1.00 1.00 H new ATOM 0 HB3 ARG A 24 8.850 4.812 -4.393 1.00 1.00 H new ATOM 0 HG2 ARG A 24 7.710 6.865 -5.303 1.00 1.00 H new ATOM 0 HG3 ARG A 24 8.167 7.726 -3.846 1.00 1.00 H new ATOM 0 HD2 ARG A 24 10.597 7.083 -4.369 1.00 1.00 H new ATOM 0 HD3 ARG A 24 10.029 6.515 -5.926 1.00 1.00 H new ATOM 0 HE ARG A 24 9.057 9.167 -5.593 1.00 1.00 H new ATOM 0 HH11 ARG A 24 12.142 7.459 -5.952 1.00 1.00 H new ATOM 0 HH12 ARG A 24 12.943 8.839 -6.712 1.00 1.00 H new ATOM 0 HH21 ARG A 24 10.108 10.923 -6.568 1.00 1.00 H new ATOM 0 HH22 ARG A 24 11.799 10.785 -7.058 1.00 1.00 H new ATOM 346 N PHE A 25 7.026 2.767 -3.526 1.00 1.00 N ATOM 347 CA PHE A 25 7.105 1.340 -3.177 1.00 1.00 C ATOM 348 C PHE A 25 6.102 0.929 -2.087 1.00 1.00 C ATOM 349 O PHE A 25 5.813 1.691 -1.159 1.00 1.00 O ATOM 350 CB PHE A 25 8.530 0.983 -2.738 1.00 1.00 C ATOM 351 CG PHE A 25 9.580 1.278 -3.780 1.00 1.00 C ATOM 352 CD1 PHE A 25 10.419 2.374 -3.645 1.00 1.00 C ATOM 353 CD2 PHE A 25 9.729 0.457 -4.888 1.00 1.00 C ATOM 354 CE1 PHE A 25 11.387 2.645 -4.596 1.00 1.00 C ATOM 355 CE2 PHE A 25 10.695 0.726 -5.842 1.00 1.00 C ATOM 356 CZ PHE A 25 11.524 1.821 -5.696 1.00 1.00 C ATOM 0 H PHE A 25 6.828 2.938 -4.512 1.00 1.00 H new ATOM 0 HA PHE A 25 6.840 0.783 -4.076 1.00 1.00 H new ATOM 0 HB2 PHE A 25 8.769 1.534 -1.829 1.00 1.00 H new ATOM 0 HB3 PHE A 25 8.568 -0.077 -2.487 1.00 1.00 H new ATOM 0 HD1 PHE A 25 10.316 3.023 -2.788 1.00 1.00 H new ATOM 0 HD2 PHE A 25 9.084 -0.401 -5.008 1.00 1.00 H new ATOM 0 HE1 PHE A 25 12.035 3.501 -4.478 1.00 1.00 H new ATOM 0 HE2 PHE A 25 10.801 0.080 -6.701 1.00 1.00 H new ATOM 0 HZ PHE A 25 12.278 2.032 -6.440 1.00 1.00 H new ATOM 366 N GLY A 26 5.584 -0.302 -2.210 1.00 1.00 N ATOM 367 CA GLY A 26 4.620 -0.824 -1.246 1.00 1.00 C ATOM 368 C GLY A 26 4.377 -2.324 -1.400 1.00 1.00 C ATOM 369 O GLY A 26 5.113 -3.008 -2.112 1.00 1.00 O ATOM 0 H GLY A 26 5.818 -0.947 -2.965 1.00 1.00 H new ATOM 0 HA2 GLY A 26 4.977 -0.621 -0.236 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.675 -0.294 -1.362 1.00 1.00 H new ATOM 373 N LYS A 27 3.339 -2.833 -0.726 1.00 1.00 N ATOM 374 CA LYS A 27 2.994 -4.260 -0.784 1.00 1.00 C ATOM 375 C LYS A 27 1.527 -4.486 -0.389 1.00 1.00 C ATOM 376 O LYS A 27 0.794 -3.529 -0.138 1.00 1.00 O ATOM 377 CB LYS A 27 3.923 -5.067 0.131 1.00 1.00 C ATOM 378 CG LYS A 27 5.084 -5.724 -0.608 1.00 1.00 C ATOM 379 CD LYS A 27 6.399 -5.581 0.153 1.00 1.00 C ATOM 380 CE LYS A 27 7.392 -6.664 -0.249 1.00 1.00 C ATOM 381 NZ LYS A 27 8.476 -6.831 0.759 1.00 1.00 N ATOM 0 H LYS A 27 2.722 -2.278 -0.133 1.00 1.00 H new ATOM 0 HA LYS A 27 3.126 -4.602 -1.810 1.00 1.00 H new ATOM 0 HB2 LYS A 27 4.320 -4.409 0.904 1.00 1.00 H new ATOM 0 HB3 LYS A 27 3.342 -5.838 0.637 1.00 1.00 H new ATOM 0 HG2 LYS A 27 4.866 -6.781 -0.760 1.00 1.00 H new ATOM 0 HG3 LYS A 27 5.186 -5.275 -1.596 1.00 1.00 H new ATOM 0 HD2 LYS A 27 6.830 -4.599 -0.043 1.00 1.00 H new ATOM 0 HD3 LYS A 27 6.209 -5.638 1.225 1.00 1.00 H new ATOM 0 HE2 LYS A 27 6.865 -7.610 -0.375 1.00 1.00 H new ATOM 0 HE3 LYS A 27 7.831 -6.413 -1.215 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 9.129 -7.577 0.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 8.996 -5.936 0.861 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 8.061 -7.096 1.675 1.00 1.00 H new ATOM 395 N CYS A 28 1.099 -5.755 -0.333 1.00 1.00 N ATOM 396 CA CYS A 28 -0.289 -6.082 0.025 1.00 1.00 C ATOM 397 C CYS A 28 -0.361 -7.031 1.226 1.00 1.00 C ATOM 398 O CYS A 28 0.636 -7.641 1.614 1.00 1.00 O ATOM 399 CB CYS A 28 -1.015 -6.715 -1.168 1.00 1.00 C ATOM 400 SG CYS A 28 -2.138 -5.579 -2.051 1.00 1.00 S ATOM 0 H CYS A 28 1.687 -6.565 -0.529 1.00 1.00 H new ATOM 0 HA CYS A 28 -0.778 -5.147 0.300 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -0.273 -7.093 -1.871 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -1.588 -7.573 -0.816 1.00 1.00 H new ATOM 405 N MET A 29 -1.561 -7.150 1.803 1.00 1.00 N ATOM 406 CA MET A 29 -1.787 -8.028 2.952 1.00 1.00 C ATOM 407 C MET A 29 -3.277 -8.353 3.110 1.00 1.00 C ATOM 408 O MET A 29 -4.137 -7.590 2.671 1.00 1.00 O ATOM 409 CB MET A 29 -1.244 -7.392 4.234 1.00 1.00 C ATOM 410 CG MET A 29 -0.383 -8.339 5.054 1.00 1.00 C ATOM 411 SD MET A 29 -1.320 -9.205 6.329 1.00 1.00 S ATOM 412 CE MET A 29 -0.382 -10.725 6.471 1.00 1.00 C ATOM 0 H MET A 29 -2.392 -6.647 1.491 1.00 1.00 H new ATOM 0 HA MET A 29 -1.251 -8.960 2.772 1.00 1.00 H new ATOM 0 HB2 MET A 29 -0.658 -6.511 3.974 1.00 1.00 H new ATOM 0 HB3 MET A 29 -2.080 -7.050 4.845 1.00 1.00 H new ATOM 0 HG2 MET A 29 0.080 -9.069 4.390 1.00 1.00 H new ATOM 0 HG3 MET A 29 0.425 -7.776 5.522 1.00 1.00 H new ATOM 0 HE1 MET A 29 -0.840 -11.366 7.224 1.00 1.00 H new ATOM 0 HE2 MET A 29 -0.376 -11.240 5.510 1.00 1.00 H new ATOM 0 HE3 MET A 29 0.642 -10.495 6.765 1.00 1.00 H new ATOM 422 N ASN A 30 -3.573 -9.492 3.740 1.00 1.00 N ATOM 423 CA ASN A 30 -4.958 -9.928 3.953 1.00 1.00 C ATOM 424 C ASN A 30 -5.823 -8.811 4.551 1.00 1.00 C ATOM 425 O ASN A 30 -5.815 -8.585 5.760 1.00 1.00 O ATOM 426 CB ASN A 30 -4.984 -11.154 4.876 1.00 1.00 C ATOM 427 CG ASN A 30 -6.054 -12.160 4.490 1.00 1.00 C ATOM 428 OD1 ASN A 30 -5.853 -12.992 3.604 1.00 1.00 O ATOM 429 ND2 ASN A 30 -7.199 -12.095 5.160 1.00 1.00 N ATOM 0 H ASN A 30 -2.871 -10.132 4.113 1.00 1.00 H new ATOM 0 HA ASN A 30 -5.375 -10.188 2.980 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -4.009 -11.641 4.853 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -5.153 -10.827 5.902 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -7.952 -12.750 4.948 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -7.325 -11.391 5.887 1.00 1.00 H new ATOM 436 N ARG A 31 -6.568 -8.118 3.682 1.00 1.00 N ATOM 437 CA ARG A 31 -7.461 -7.022 4.090 1.00 1.00 C ATOM 438 C ARG A 31 -6.690 -5.743 4.471 1.00 1.00 C ATOM 439 O ARG A 31 -7.292 -4.780 4.946 1.00 1.00 O ATOM 440 CB ARG A 31 -8.360 -7.451 5.266 1.00 1.00 C ATOM 441 CG ARG A 31 -9.117 -8.754 5.031 1.00 1.00 C ATOM 442 CD ARG A 31 -10.113 -9.030 6.153 1.00 1.00 C ATOM 443 NE ARG A 31 -10.734 -10.352 6.038 1.00 1.00 N ATOM 444 CZ ARG A 31 -11.547 -10.880 6.958 1.00 1.00 C ATOM 445 NH1 ARG A 31 -11.843 -10.206 8.065 1.00 1.00 N ATOM 446 NH2 ARG A 31 -12.067 -12.086 6.770 1.00 1.00 N ATOM 0 H ARG A 31 -6.571 -8.299 2.678 1.00 1.00 H new ATOM 0 HA ARG A 31 -8.081 -6.793 3.223 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -7.744 -7.557 6.159 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -9.079 -6.657 5.467 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -9.645 -8.703 4.079 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -8.409 -9.580 4.960 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -9.604 -8.953 7.114 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -10.889 -8.265 6.142 1.00 1.00 H new ATOM 0 HE ARG A 31 -10.533 -10.904 5.204 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -11.449 -9.278 8.218 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -12.464 -10.617 8.762 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -11.846 -12.610 5.923 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -12.687 -12.489 7.472 1.00 1.00 H new ATOM 460 N LYS A 32 -5.368 -5.728 4.270 1.00 1.00 N ATOM 461 CA LYS A 32 -4.550 -4.557 4.619 1.00 1.00 C ATOM 462 C LYS A 32 -3.510 -4.217 3.534 1.00 1.00 C ATOM 463 O LYS A 32 -3.176 -5.055 2.697 1.00 1.00 O ATOM 464 CB LYS A 32 -3.862 -4.775 5.969 1.00 1.00 C ATOM 465 CG LYS A 32 -4.657 -4.231 7.146 1.00 1.00 C ATOM 466 CD LYS A 32 -4.501 -5.105 8.382 1.00 1.00 C ATOM 467 CE LYS A 32 -5.586 -4.813 9.409 1.00 1.00 C ATOM 468 NZ LYS A 32 -5.557 -5.780 10.544 1.00 1.00 N ATOM 0 H LYS A 32 -4.843 -6.506 3.871 1.00 1.00 H new ATOM 0 HA LYS A 32 -5.225 -3.704 4.690 1.00 1.00 H new ATOM 0 HB2 LYS A 32 -3.695 -5.842 6.115 1.00 1.00 H new ATOM 0 HB3 LYS A 32 -2.882 -4.298 5.950 1.00 1.00 H new ATOM 0 HG2 LYS A 32 -4.325 -3.218 7.372 1.00 1.00 H new ATOM 0 HG3 LYS A 32 -5.711 -4.168 6.875 1.00 1.00 H new ATOM 0 HD2 LYS A 32 -4.543 -6.156 8.094 1.00 1.00 H new ATOM 0 HD3 LYS A 32 -3.521 -4.936 8.828 1.00 1.00 H new ATOM 0 HE2 LYS A 32 -5.459 -3.801 9.792 1.00 1.00 H new ATOM 0 HE3 LYS A 32 -6.562 -4.851 8.926 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 -6.312 -5.545 11.220 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 -5.704 -6.744 10.183 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 -4.635 -5.726 11.022 1.00 1.00 H new ATOM 482 N CYS A 33 -3.007 -2.972 3.566 1.00 1.00 N ATOM 483 CA CYS A 33 -2.005 -2.492 2.594 1.00 1.00 C ATOM 484 C CYS A 33 -0.640 -2.294 3.263 1.00 1.00 C ATOM 485 O CYS A 33 -0.549 -2.167 4.481 1.00 1.00 O ATOM 486 CB CYS A 33 -2.412 -1.123 2.040 1.00 1.00 C ATOM 487 SG CYS A 33 -2.771 -1.107 0.241 1.00 1.00 S ATOM 0 H CYS A 33 -3.279 -2.274 4.258 1.00 1.00 H new ATOM 0 HA CYS A 33 -1.947 -3.242 1.805 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -3.295 -0.776 2.577 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -1.613 -0.410 2.245 1.00 1.00 H new ATOM 492 N HIS A 34 0.417 -2.268 2.453 1.00 1.00 N ATOM 493 CA HIS A 34 1.765 -2.016 2.957 1.00 1.00 C ATOM 494 C HIS A 34 2.421 -0.864 2.179 1.00 1.00 C ATOM 495 O HIS A 34 2.538 -0.935 0.956 1.00 1.00 O ATOM 496 CB HIS A 34 2.624 -3.280 2.855 1.00 1.00 C ATOM 497 CG HIS A 34 2.413 -4.247 3.982 1.00 1.00 C ATOM 498 ND1 HIS A 34 2.061 -4.041 5.275 1.00 1.00 N flip ATOM 499 CD2 HIS A 34 2.568 -5.611 3.846 1.00 1.00 C flip ATOM 500 CE1 HIS A 34 2.011 -5.272 5.886 1.00 1.00 C flip ATOM 501 NE2 HIS A 34 2.321 -6.202 5.000 1.00 1.00 N flip ATOM 0 H HIS A 34 0.366 -2.418 1.445 1.00 1.00 H new ATOM 0 HA HIS A 34 1.691 -1.732 4.007 1.00 1.00 H new ATOM 0 HB2 HIS A 34 2.405 -3.782 1.912 1.00 1.00 H new ATOM 0 HB3 HIS A 34 3.675 -2.993 2.827 1.00 1.00 H new ATOM 0 HD2 HIS A 34 2.849 -6.118 2.935 1.00 1.00 H new ATOM 0 HE1 HIS A 34 1.759 -5.450 6.921 1.00 1.00 H new ATOM 0 HE2 HIS A 34 2.362 -7.206 5.178 1.00 1.00 H new ATOM 509 N CYS A 35 2.850 0.193 2.878 1.00 1.00 N ATOM 510 CA CYS A 35 3.517 1.325 2.215 1.00 1.00 C ATOM 511 C CYS A 35 4.892 1.572 2.843 1.00 1.00 C ATOM 512 O CYS A 35 5.072 1.352 4.040 1.00 1.00 O ATOM 513 CB CYS A 35 2.688 2.612 2.288 1.00 1.00 C ATOM 514 SG CYS A 35 1.447 2.771 0.951 1.00 1.00 S ATOM 0 H CYS A 35 2.751 0.291 3.888 1.00 1.00 H new ATOM 0 HA CYS A 35 3.629 1.057 1.164 1.00 1.00 H new ATOM 0 HB2 CYS A 35 2.178 2.650 3.250 1.00 1.00 H new ATOM 0 HB3 CYS A 35 3.361 3.469 2.250 1.00 1.00 H new ATOM 519 N THR A 36 5.870 2.021 2.049 1.00 1.00 N ATOM 520 CA THR A 36 7.210 2.291 2.587 1.00 1.00 C ATOM 521 C THR A 36 7.693 3.707 2.237 1.00 1.00 C ATOM 522 O THR A 36 8.052 3.973 1.091 1.00 1.00 O ATOM 523 CB THR A 36 8.244 1.270 2.072 1.00 1.00 C ATOM 524 OG1 THR A 36 9.550 1.608 2.556 1.00 1.00 O ATOM 525 CG2 THR A 36 8.262 1.226 0.551 1.00 1.00 C ATOM 0 H THR A 36 5.764 2.203 1.051 1.00 1.00 H new ATOM 0 HA THR A 36 7.125 2.203 3.670 1.00 1.00 H new ATOM 0 HB THR A 36 7.958 0.286 2.443 1.00 1.00 H new ATOM 0 HG1 THR A 36 10.201 0.954 2.226 1.00 1.00 H new ATOM 0 HG21 THR A 36 9.001 0.497 0.217 1.00 1.00 H new ATOM 0 HG22 THR A 36 7.277 0.939 0.184 1.00 1.00 H new ATOM 0 HG23 THR A 36 8.522 2.210 0.162 1.00 1.00 H new ATOM 533 N PRO A 37 7.714 4.640 3.221 1.00 1.00 N ATOM 534 CA PRO A 37 8.156 6.024 2.994 1.00 1.00 C ATOM 535 C PRO A 37 9.683 6.151 2.869 1.00 1.00 C ATOM 536 O PRO A 37 10.423 5.324 3.401 1.00 1.00 O ATOM 537 CB PRO A 37 7.657 6.758 4.234 1.00 1.00 C ATOM 538 CG PRO A 37 7.679 5.726 5.304 1.00 1.00 C ATOM 539 CD PRO A 37 7.314 4.429 4.634 1.00 1.00 C ATOM 0 HA PRO A 37 7.769 6.423 2.056 1.00 1.00 H new ATOM 0 HB2 PRO A 37 8.300 7.602 4.482 1.00 1.00 H new ATOM 0 HB3 PRO A 37 6.653 7.155 4.084 1.00 1.00 H new ATOM 0 HG2 PRO A 37 8.664 5.663 5.766 1.00 1.00 H new ATOM 0 HG3 PRO A 37 6.971 5.969 6.096 1.00 1.00 H new ATOM 0 HD2 PRO A 37 7.843 3.586 5.078 1.00 1.00 H new ATOM 0 HD3 PRO A 37 6.248 4.219 4.722 1.00 1.00 H new ATOM 547 N LYS A 38 10.152 7.193 2.168 1.00 1.00 N ATOM 548 CA LYS A 38 11.595 7.429 1.981 1.00 1.00 C ATOM 549 C LYS A 38 12.377 7.253 3.286 1.00 1.00 C ATOM 550 O LYS A 38 13.519 6.749 3.229 1.00 1.00 O ATOM 551 CB LYS A 38 11.848 8.841 1.433 1.00 1.00 C ATOM 552 CG LYS A 38 13.320 9.130 1.150 1.00 1.00 C ATOM 553 CD LYS A 38 13.599 10.625 1.066 1.00 1.00 C ATOM 554 CE LYS A 38 15.073 10.904 0.802 1.00 1.00 C ATOM 555 NZ LYS A 38 15.511 12.204 1.385 1.00 1.00 N ATOM 556 OXT LYS A 38 11.842 7.624 4.352 1.00 1.00 O ATOM 0 H LYS A 38 9.554 7.888 1.720 1.00 1.00 H new ATOM 0 HA LYS A 38 11.945 6.686 1.264 1.00 1.00 H new ATOM 0 HB2 LYS A 38 11.277 8.973 0.514 1.00 1.00 H new ATOM 0 HB3 LYS A 38 11.473 9.572 2.149 1.00 1.00 H new ATOM 0 HG2 LYS A 38 13.934 8.690 1.936 1.00 1.00 H new ATOM 0 HG3 LYS A 38 13.610 8.653 0.214 1.00 1.00 H new ATOM 0 HD2 LYS A 38 12.996 11.064 0.271 1.00 1.00 H new ATOM 0 HD3 LYS A 38 13.298 11.105 1.997 1.00 1.00 H new ATOM 0 HE2 LYS A 38 15.675 10.098 1.222 1.00 1.00 H new ATOM 0 HE3 LYS A 38 15.253 10.910 -0.273 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 16.520 12.353 1.182 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 14.955 12.977 0.966 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 15.364 12.190 2.414 1.00 1.00 H new TER 570 LYS A 38