USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 283 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+ -164:sc= -0.0109 (180deg=-0.328) USER MOD Single : A 5 ASN : amide:sc= 0.185 K(o=0.18,f=-1.7!) 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= -0.209 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0861) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -162:sc= -0.0654 (180deg=-1.08) 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= -0.0596 X(o=-0.06,f=-0.22) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.68) 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 0.199 -5.932 6.421 1.00 0.00 N ATOM 2 CA GLY A 1 -1.010 -6.281 7.181 1.00 0.00 C ATOM 3 C GLY A 1 -1.846 -5.036 7.427 1.00 0.00 C ATOM 4 O GLY A 1 -3.074 -5.085 7.458 1.00 0.00 O ATOM 0 H1 GLY A 1 0.622 -6.796 6.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.052 -5.283 5.648 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.884 -5.469 7.052 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -1.595 -7.019 6.632 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.733 -6.737 8.132 1.00 0.00 H new ATOM 9 N VAL A 2 -1.168 -3.911 7.594 1.00 0.00 N ATOM 10 CA VAL A 2 -1.877 -2.652 7.838 1.00 0.00 C ATOM 11 C VAL A 2 -2.263 -2.012 6.506 1.00 0.00 C ATOM 12 O VAL A 2 -1.641 -1.077 6.006 1.00 0.00 O ATOM 13 CB VAL A 2 -1.015 -1.731 8.709 1.00 0.00 C ATOM 14 CG1 VAL A 2 -0.983 -2.288 10.129 1.00 0.00 C ATOM 15 CG2 VAL A 2 0.430 -1.597 8.225 1.00 0.00 C ATOM 0 H VAL A 2 -0.151 -3.837 7.567 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.801 -2.839 8.386 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.469 -0.742 8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.373 -1.642 10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.997 -2.330 10.526 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.556 -3.291 10.117 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.977 -0.930 8.892 1.00 0.00 H new ATOM 0 HG22 VAL A 2 0.906 -2.578 8.223 1.00 0.00 H new ATOM 0 HG23 VAL A 2 0.439 -1.188 7.215 1.00 0.00 H new ATOM 25 N GLU A 3 -3.337 -2.516 5.927 1.00 0.00 N ATOM 26 CA GLU A 3 -3.789 -1.975 4.647 1.00 0.00 C ATOM 27 C GLU A 3 -4.564 -0.680 4.844 1.00 0.00 C ATOM 28 O GLU A 3 -5.401 -0.571 5.740 1.00 0.00 O ATOM 29 CB GLU A 3 -4.651 -3.026 3.936 1.00 0.00 C ATOM 30 CG GLU A 3 -5.919 -3.424 4.703 1.00 0.00 C ATOM 31 CD GLU A 3 -6.682 -4.494 3.941 1.00 0.00 C ATOM 32 OE1 GLU A 3 -6.988 -4.393 2.755 1.00 0.00 O ATOM 33 OE2 GLU A 3 -6.981 -5.570 4.733 1.00 0.00 O ATOM 0 H GLU A 3 -3.902 -3.277 6.304 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.921 -1.742 4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.938 -2.642 2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.049 -3.918 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.652 -3.793 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -6.553 -2.550 4.849 1.00 0.00 H new ATOM 41 N ILE A 4 -4.278 0.306 4.002 1.00 0.00 N ATOM 42 CA ILE A 4 -4.977 1.589 4.114 1.00 0.00 C ATOM 43 C ILE A 4 -6.278 1.439 3.333 1.00 0.00 C ATOM 44 O ILE A 4 -6.525 0.377 2.762 1.00 0.00 O ATOM 45 CB ILE A 4 -4.078 2.750 3.671 1.00 0.00 C ATOM 46 CG1 ILE A 4 -3.548 2.584 2.241 1.00 0.00 C ATOM 47 CG2 ILE A 4 -2.935 2.847 4.686 1.00 0.00 C ATOM 48 CD1 ILE A 4 -2.783 3.818 1.759 1.00 0.00 C ATOM 0 H ILE A 4 -3.588 0.251 3.253 1.00 0.00 H new ATOM 0 HA ILE A 4 -5.224 1.844 5.145 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.659 3.672 3.649 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.894 1.713 2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.382 2.390 1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.269 3.664 4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.345 3.035 5.678 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.377 1.911 4.696 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.428 3.652 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.443 4.685 1.776 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.932 3.998 2.416 1.00 0.00 H new ATOM 60 N ASN A 5 -7.095 2.488 3.281 1.00 0.00 N ATOM 61 CA ASN A 5 -8.373 2.401 2.554 1.00 0.00 C ATOM 62 C ASN A 5 -8.362 2.824 1.091 1.00 0.00 C ATOM 63 O ASN A 5 -9.389 3.251 0.564 1.00 0.00 O ATOM 64 CB ASN A 5 -9.393 3.256 3.302 1.00 0.00 C ATOM 65 CG ASN A 5 -8.987 4.722 3.292 1.00 0.00 C ATOM 66 OD1 ASN A 5 -8.081 5.149 4.005 1.00 0.00 O ATOM 67 ND2 ASN A 5 -9.664 5.513 2.480 1.00 0.00 N ATOM 0 H ASN A 5 -6.909 3.390 3.719 1.00 0.00 H new ATOM 0 HA ASN A 5 -8.618 1.339 2.527 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.375 3.144 2.842 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.481 2.906 4.331 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.440 6.507 2.433 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -10.411 5.130 1.900 1.00 0.00 H new ATOM 74 N VAL A 6 -7.214 2.707 0.450 1.00 0.00 N ATOM 75 CA VAL A 6 -7.105 3.083 -0.967 1.00 0.00 C ATOM 76 C VAL A 6 -7.266 1.791 -1.758 1.00 0.00 C ATOM 77 O VAL A 6 -6.670 0.768 -1.427 1.00 0.00 O ATOM 78 CB VAL A 6 -5.756 3.735 -1.273 1.00 0.00 C ATOM 79 CG1 VAL A 6 -5.711 4.275 -2.702 1.00 0.00 C ATOM 80 CG2 VAL A 6 -5.475 4.914 -0.341 1.00 0.00 C ATOM 0 H VAL A 6 -6.351 2.362 0.870 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.866 3.817 -1.232 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.008 2.955 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.739 4.732 -2.888 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.868 3.457 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.494 5.022 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.508 5.351 -0.589 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.255 5.666 -0.460 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.462 4.566 0.692 1.00 0.00 H new ATOM 90 N LYS A 7 -8.087 1.845 -2.792 1.00 0.00 N ATOM 91 CA LYS A 7 -8.313 0.658 -3.624 1.00 0.00 C ATOM 92 C LYS A 7 -7.281 0.635 -4.746 1.00 0.00 C ATOM 93 O LYS A 7 -7.011 1.667 -5.360 1.00 0.00 O ATOM 94 CB LYS A 7 -9.745 0.655 -4.176 1.00 0.00 C ATOM 95 CG LYS A 7 -10.073 1.835 -5.101 1.00 0.00 C ATOM 96 CD LYS A 7 -11.542 1.840 -5.526 1.00 0.00 C ATOM 97 CE LYS A 7 -11.875 0.712 -6.501 1.00 0.00 C ATOM 98 NZ LYS A 7 -13.265 0.852 -6.958 1.00 0.00 N ATOM 0 H LYS A 7 -8.603 2.677 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.197 -0.244 -3.022 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.909 -0.274 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.443 0.661 -3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.840 2.770 -4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.440 1.788 -5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.173 1.749 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.779 2.798 -5.989 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.196 0.742 -7.353 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.736 -0.254 -6.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -13.491 0.084 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -13.906 0.803 -6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.383 1.768 -7.436 1.00 0.00 H new ATOM 111 N CYS A 8 -6.676 -0.514 -5.027 1.00 0.00 N ATOM 112 CA CYS A 8 -5.690 -0.513 -6.110 1.00 0.00 C ATOM 113 C CYS A 8 -5.243 -1.850 -6.644 1.00 0.00 C ATOM 114 O CYS A 8 -5.109 -2.864 -5.962 1.00 0.00 O ATOM 115 CB CYS A 8 -4.374 0.117 -5.689 1.00 0.00 C ATOM 116 SG CYS A 8 -3.614 -0.828 -4.349 1.00 0.00 S ATOM 0 H CYS A 8 -6.833 -1.406 -4.558 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.252 0.029 -6.870 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -3.696 0.159 -6.541 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -4.544 1.144 -5.366 1.00 0.00 H new ATOM 121 N SER A 9 -5.045 -1.768 -7.941 1.00 0.00 N ATOM 122 CA SER A 9 -4.588 -2.921 -8.713 1.00 0.00 C ATOM 123 C SER A 9 -3.087 -2.731 -8.906 1.00 0.00 C ATOM 124 O SER A 9 -2.309 -3.669 -9.078 1.00 0.00 O ATOM 125 CB SER A 9 -5.298 -2.945 -10.063 1.00 0.00 C ATOM 126 OG SER A 9 -5.034 -1.738 -10.764 1.00 0.00 O ATOM 0 H SER A 9 -5.191 -0.921 -8.490 1.00 0.00 H new ATOM 0 HA SER A 9 -4.804 -3.862 -8.207 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.958 -3.799 -10.649 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.372 -3.065 -9.918 1.00 0.00 H new ATOM 0 HG SER A 9 -5.490 -1.757 -11.631 1.00 0.00 H new ATOM 132 N GLY A 10 -2.695 -1.467 -8.874 1.00 0.00 N ATOM 133 CA GLY A 10 -1.290 -1.106 -9.053 1.00 0.00 C ATOM 134 C GLY A 10 -0.454 -1.034 -7.801 1.00 0.00 C ATOM 135 O GLY A 10 -0.634 -0.112 -7.007 1.00 0.00 O ATOM 0 H GLY A 10 -3.322 -0.676 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.834 -1.831 -9.728 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.246 -0.137 -9.550 1.00 0.00 H new ATOM 139 N SER A 11 0.431 -2.025 -7.659 1.00 0.00 N ATOM 140 CA SER A 11 1.343 -2.082 -6.497 1.00 0.00 C ATOM 141 C SER A 11 2.172 -0.761 -6.431 1.00 0.00 C ATOM 142 O SER A 11 2.254 -0.184 -5.341 1.00 0.00 O ATOM 143 CB SER A 11 2.123 -3.396 -6.464 1.00 0.00 C ATOM 144 OG SER A 11 2.571 -3.760 -7.760 1.00 0.00 O ATOM 0 H SER A 11 0.540 -2.793 -8.321 1.00 0.00 H new ATOM 0 HA SER A 11 0.791 -2.115 -5.558 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.978 -3.298 -5.795 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.491 -4.187 -6.059 1.00 0.00 H new ATOM 0 HG SER A 11 3.068 -4.603 -7.709 1.00 0.00 H new ATOM 150 N PRO A 12 2.690 -0.103 -7.518 1.00 0.00 N ATOM 151 CA PRO A 12 3.419 1.169 -7.335 1.00 0.00 C ATOM 152 C PRO A 12 2.487 2.329 -6.901 1.00 0.00 C ATOM 153 O PRO A 12 2.953 3.365 -6.429 1.00 0.00 O ATOM 154 CB PRO A 12 4.053 1.470 -8.685 1.00 0.00 C ATOM 155 CG PRO A 12 4.505 0.094 -9.128 1.00 0.00 C ATOM 156 CD PRO A 12 3.404 -0.822 -8.604 1.00 0.00 C ATOM 0 HA PRO A 12 4.157 1.076 -6.539 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.340 1.911 -9.382 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.887 2.166 -8.599 1.00 0.00 H new ATOM 0 HG2 PRO A 12 4.599 0.031 -10.212 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.477 -0.165 -8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.714 -1.086 -9.405 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.829 -1.754 -8.230 1.00 0.00 H new ATOM 164 N GLN A 13 1.156 2.196 -7.057 1.00 0.00 N ATOM 165 CA GLN A 13 0.227 3.245 -6.636 1.00 0.00 C ATOM 166 C GLN A 13 -0.049 3.055 -5.117 1.00 0.00 C ATOM 167 O GLN A 13 -0.598 3.940 -4.464 1.00 0.00 O ATOM 168 CB GLN A 13 -1.051 3.124 -7.466 1.00 0.00 C ATOM 169 CG GLN A 13 -2.027 4.261 -7.175 1.00 0.00 C ATOM 170 CD GLN A 13 -3.232 4.174 -8.098 1.00 0.00 C ATOM 171 OE1 GLN A 13 -3.851 3.123 -8.258 1.00 0.00 O ATOM 172 NE2 GLN A 13 -3.578 5.287 -8.717 1.00 0.00 N ATOM 0 H GLN A 13 0.709 1.377 -7.469 1.00 0.00 H new ATOM 0 HA GLN A 13 0.638 4.242 -6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.797 3.125 -8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.532 2.169 -7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.353 4.212 -6.136 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.527 5.221 -7.308 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.045 6.143 -8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.379 5.291 -9.349 1.00 0.00 H new ATOM 181 N CYS A 14 0.319 1.908 -4.534 1.00 0.00 N ATOM 182 CA CYS A 14 0.101 1.674 -3.104 1.00 0.00 C ATOM 183 C CYS A 14 1.267 2.394 -2.459 1.00 0.00 C ATOM 184 O CYS A 14 1.126 3.037 -1.421 1.00 0.00 O ATOM 185 CB CYS A 14 0.285 0.191 -2.749 1.00 0.00 C ATOM 186 SG CYS A 14 0.223 -0.082 -0.979 1.00 0.00 S ATOM 0 H CYS A 14 0.765 1.134 -5.026 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.896 1.991 -2.798 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.492 -0.398 -3.235 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.241 -0.160 -3.138 1.00 0.00 H new ATOM 191 N LEU A 15 2.426 2.110 -3.049 1.00 0.00 N ATOM 192 CA LEU A 15 3.704 2.683 -2.619 1.00 0.00 C ATOM 193 C LEU A 15 3.689 4.166 -2.304 1.00 0.00 C ATOM 194 O LEU A 15 4.125 4.563 -1.226 1.00 0.00 O ATOM 195 CB LEU A 15 4.774 2.332 -3.662 1.00 0.00 C ATOM 196 CG LEU A 15 6.208 2.766 -3.326 1.00 0.00 C ATOM 197 CD1 LEU A 15 6.743 2.066 -2.079 1.00 0.00 C ATOM 198 CD2 LEU A 15 7.107 2.398 -4.503 1.00 0.00 C ATOM 0 H LEU A 15 2.508 1.474 -3.842 1.00 0.00 H new ATOM 0 HA LEU A 15 3.937 2.231 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.768 1.252 -3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.491 2.786 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 15 6.202 3.839 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.760 2.404 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.108 2.306 -1.226 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.744 0.988 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.132 2.698 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.071 1.321 -4.666 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.761 2.912 -5.400 1.00 0.00 H new ATOM 210 N LYS A 16 3.339 4.933 -3.332 1.00 0.00 N ATOM 211 CA LYS A 16 3.268 6.407 -3.222 1.00 0.00 C ATOM 212 C LYS A 16 2.608 6.966 -1.926 1.00 0.00 C ATOM 213 O LYS A 16 3.313 7.702 -1.237 1.00 0.00 O ATOM 214 CB LYS A 16 2.817 7.046 -4.553 1.00 0.00 C ATOM 215 CG LYS A 16 3.764 6.708 -5.704 1.00 0.00 C ATOM 216 CD LYS A 16 3.362 7.491 -6.952 1.00 0.00 C ATOM 217 CE LYS A 16 4.345 7.264 -8.100 1.00 0.00 C ATOM 218 NZ LYS A 16 4.300 5.865 -8.551 1.00 0.00 N ATOM 0 H LYS A 16 3.098 4.570 -4.254 1.00 0.00 H new ATOM 0 HA LYS A 16 4.290 6.749 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.812 6.701 -4.798 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.763 8.128 -4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.790 6.950 -5.426 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.734 5.638 -5.910 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.362 7.191 -7.264 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.317 8.554 -6.716 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.102 7.927 -8.930 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.355 7.515 -7.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.842 5.767 -9.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.714 5.251 -7.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.312 5.586 -8.719 1.00 0.00 H new ATOM 231 N PRO A 17 1.382 6.653 -1.457 1.00 0.00 N ATOM 232 CA PRO A 17 0.882 7.254 -0.216 1.00 0.00 C ATOM 233 C PRO A 17 1.181 6.406 1.021 1.00 0.00 C ATOM 234 O PRO A 17 1.195 6.919 2.141 1.00 0.00 O ATOM 235 CB PRO A 17 -0.629 7.290 -0.451 1.00 0.00 C ATOM 236 CG PRO A 17 -0.904 6.078 -1.335 1.00 0.00 C ATOM 237 CD PRO A 17 0.306 6.058 -2.261 1.00 0.00 C ATOM 0 HA PRO A 17 1.346 8.221 -0.020 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.179 7.230 0.488 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -0.933 8.216 -0.940 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.983 5.161 -0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.837 6.184 -1.889 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.554 5.043 -2.571 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.123 6.632 -3.169 1.00 0.00 H new ATOM 245 N CYS A 18 1.530 5.135 0.848 1.00 0.00 N ATOM 246 CA CYS A 18 1.807 4.315 2.033 1.00 0.00 C ATOM 247 C CYS A 18 3.218 4.558 2.532 1.00 0.00 C ATOM 248 O CYS A 18 3.505 4.376 3.711 1.00 0.00 O ATOM 249 CB CYS A 18 1.644 2.824 1.736 1.00 0.00 C ATOM 250 SG CYS A 18 1.129 1.990 3.250 1.00 0.00 S ATOM 0 H CYS A 18 1.626 4.664 -0.052 1.00 0.00 H new ATOM 0 HA CYS A 18 1.086 4.606 2.797 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.904 2.673 0.950 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.583 2.405 1.374 1.00 0.00 H new ATOM 255 N LYS A 19 4.093 5.025 1.653 1.00 0.00 N ATOM 256 CA LYS A 19 5.476 5.293 2.050 1.00 0.00 C ATOM 257 C LYS A 19 5.566 6.718 2.589 1.00 0.00 C ATOM 258 O LYS A 19 6.512 7.069 3.294 1.00 0.00 O ATOM 259 CB LYS A 19 6.382 5.105 0.834 1.00 0.00 C ATOM 260 CG LYS A 19 7.857 5.238 1.213 1.00 0.00 C ATOM 261 CD LYS A 19 8.783 4.878 0.050 1.00 0.00 C ATOM 262 CE LYS A 19 8.729 5.911 -1.074 1.00 0.00 C ATOM 263 NZ LYS A 19 9.723 5.570 -2.102 1.00 0.00 N ATOM 0 H LYS A 19 3.880 5.225 0.676 1.00 0.00 H new ATOM 0 HA LYS A 19 5.797 4.605 2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.205 4.124 0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.132 5.845 0.074 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.058 6.260 1.533 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.073 4.590 2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.807 4.795 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.505 3.900 -0.344 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.731 5.936 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.928 6.907 -0.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.686 6.273 -2.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.673 5.568 -1.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.514 4.627 -2.488 1.00 0.00 H new ATOM 276 N ASP A 20 4.554 7.530 2.271 1.00 0.00 N ATOM 277 CA ASP A 20 4.522 8.918 2.736 1.00 0.00 C ATOM 278 C ASP A 20 3.822 8.954 4.077 1.00 0.00 C ATOM 279 O ASP A 20 3.997 9.828 4.923 1.00 0.00 O ATOM 280 CB ASP A 20 3.814 9.804 1.714 1.00 0.00 C ATOM 281 CG ASP A 20 3.774 11.246 2.193 1.00 0.00 C ATOM 282 OD1 ASP A 20 4.771 11.869 2.554 1.00 0.00 O ATOM 283 OD2 ASP A 20 2.503 11.757 2.170 1.00 0.00 O ATOM 0 H ASP A 20 3.755 7.254 1.700 1.00 0.00 H new ATOM 0 HA ASP A 20 5.535 9.303 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.331 9.748 0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.799 9.441 1.551 1.00 0.00 H new ATOM 289 N ALA A 21 3.008 7.942 4.217 1.00 0.00 N ATOM 290 CA ALA A 21 2.238 7.777 5.445 1.00 0.00 C ATOM 291 C ALA A 21 3.230 7.462 6.556 1.00 0.00 C ATOM 292 O ALA A 21 3.223 8.084 7.617 1.00 0.00 O ATOM 293 CB ALA A 21 1.224 6.647 5.275 1.00 0.00 C ATOM 0 H ALA A 21 2.854 7.221 3.512 1.00 0.00 H new ATOM 0 HA ALA A 21 1.679 8.681 5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.653 6.529 6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.546 6.886 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.749 5.718 5.052 1.00 0.00 H new ATOM 299 N GLY A 22 4.096 6.493 6.295 1.00 0.00 N ATOM 300 CA GLY A 22 5.095 6.118 7.301 1.00 0.00 C ATOM 301 C GLY A 22 5.515 4.657 7.177 1.00 0.00 C ATOM 302 O GLY A 22 6.331 4.169 7.958 1.00 0.00 O ATOM 0 H GLY A 22 4.134 5.963 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.972 6.757 7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.689 6.295 8.297 1.00 0.00 H new ATOM 306 N MET A 23 4.958 3.956 6.202 1.00 0.00 N ATOM 307 CA MET A 23 5.306 2.543 6.020 1.00 0.00 C ATOM 308 C MET A 23 6.556 2.398 5.163 1.00 0.00 C ATOM 309 O MET A 23 7.176 3.392 4.787 1.00 0.00 O ATOM 310 CB MET A 23 4.121 1.796 5.399 1.00 0.00 C ATOM 311 CG MET A 23 2.809 2.075 6.140 1.00 0.00 C ATOM 312 SD MET A 23 3.023 1.962 7.928 1.00 0.00 S ATOM 313 CE MET A 23 3.511 0.237 8.084 1.00 0.00 C ATOM 0 H MET A 23 4.279 4.324 5.536 1.00 0.00 H new ATOM 0 HA MET A 23 5.525 2.104 6.993 1.00 0.00 H new ATOM 0 HB2 MET A 23 4.016 2.089 4.354 1.00 0.00 H new ATOM 0 HB3 MET A 23 4.322 0.725 5.411 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.446 3.069 5.878 1.00 0.00 H new ATOM 0 HG3 MET A 23 2.049 1.363 5.818 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.375 -0.088 9.115 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.895 -0.376 7.426 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.559 0.129 7.805 1.00 0.00 H new ATOM 323 N ARG A 24 6.920 1.153 4.865 1.00 0.00 N ATOM 324 CA ARG A 24 8.107 0.901 4.047 1.00 0.00 C ATOM 325 C ARG A 24 7.637 0.744 2.603 1.00 0.00 C ATOM 326 O ARG A 24 7.100 1.667 1.992 1.00 0.00 O ATOM 327 CB ARG A 24 8.873 -0.252 4.725 1.00 0.00 C ATOM 328 CG ARG A 24 10.351 -0.395 4.314 1.00 0.00 C ATOM 329 CD ARG A 24 11.294 0.680 4.866 1.00 0.00 C ATOM 330 NE ARG A 24 11.384 0.588 6.325 1.00 0.00 N ATOM 331 CZ ARG A 24 12.178 1.416 6.987 1.00 0.00 C ATOM 332 NH1 ARG A 24 12.892 2.328 6.351 1.00 0.00 N ATOM 333 NH2 ARG A 24 12.256 1.329 8.302 1.00 0.00 N ATOM 0 H ARG A 24 6.422 0.317 5.170 1.00 0.00 H new ATOM 0 HA ARG A 24 8.842 1.703 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 24 8.826 -0.112 5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 24 8.359 -1.187 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.709 -1.371 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.411 -0.383 3.226 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.285 0.562 4.427 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.934 1.668 4.580 1.00 0.00 H new ATOM 0 HE ARG A 24 10.838 -0.111 6.829 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.836 2.402 5.335 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.499 2.958 6.876 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.707 0.628 8.800 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.865 1.963 8.820 1.00 0.00 H new ATOM 346 N PHE A 25 7.820 -0.428 2.055 1.00 0.00 N ATOM 347 CA PHE A 25 7.401 -0.654 0.673 1.00 0.00 C ATOM 348 C PHE A 25 5.894 -0.825 0.594 1.00 0.00 C ATOM 349 O PHE A 25 5.214 -1.016 1.599 1.00 0.00 O ATOM 350 CB PHE A 25 8.069 -1.893 0.091 1.00 0.00 C ATOM 351 CG PHE A 25 9.528 -1.952 0.475 1.00 0.00 C ATOM 352 CD1 PHE A 25 10.393 -1.069 -0.042 1.00 0.00 C ATOM 353 CD2 PHE A 25 9.957 -2.886 1.335 1.00 0.00 C ATOM 354 CE1 PHE A 25 11.688 -1.121 0.299 1.00 0.00 C ATOM 355 CE2 PHE A 25 11.252 -2.937 1.677 1.00 0.00 C ATOM 356 CZ PHE A 25 12.117 -2.055 1.159 1.00 0.00 C ATOM 0 H PHE A 25 8.244 -1.231 2.520 1.00 0.00 H new ATOM 0 HA PHE A 25 7.703 0.219 0.094 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.559 -2.787 0.448 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.975 -1.885 -0.995 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.047 -0.315 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 25 9.260 -3.597 1.752 1.00 0.00 H new ATOM 0 HE1 PHE A 25 12.386 -0.410 -0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.598 -3.689 2.370 1.00 0.00 H new ATOM 0 HZ PHE A 25 13.160 -2.097 1.435 1.00 0.00 H new ATOM 366 N GLY A 26 5.407 -0.782 -0.635 1.00 0.00 N ATOM 367 CA GLY A 26 3.970 -0.926 -0.893 1.00 0.00 C ATOM 368 C GLY A 26 3.702 -2.098 -1.810 1.00 0.00 C ATOM 369 O GLY A 26 4.510 -2.474 -2.658 1.00 0.00 O ATOM 0 H GLY A 26 5.976 -0.650 -1.471 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.440 -1.067 0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.584 -0.011 -1.343 1.00 0.00 H new ATOM 373 N LYS A 27 2.529 -2.671 -1.634 1.00 0.00 N ATOM 374 CA LYS A 27 2.169 -3.812 -2.471 1.00 0.00 C ATOM 375 C LYS A 27 0.655 -3.933 -2.495 1.00 0.00 C ATOM 376 O LYS A 27 0.009 -4.033 -1.453 1.00 0.00 O ATOM 377 CB LYS A 27 2.818 -5.072 -1.899 1.00 0.00 C ATOM 378 CG LYS A 27 2.595 -6.280 -2.808 1.00 0.00 C ATOM 379 CD LYS A 27 3.340 -7.494 -2.260 1.00 0.00 C ATOM 380 CE LYS A 27 3.129 -8.702 -3.168 1.00 0.00 C ATOM 381 NZ LYS A 27 3.853 -9.863 -2.628 1.00 0.00 N ATOM 0 H LYS A 27 1.829 -2.385 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 27 2.526 -3.678 -3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.887 -4.905 -1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.406 -5.278 -0.911 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.530 -6.499 -2.879 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.943 -6.055 -3.816 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.404 -7.271 -2.182 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.988 -7.721 -1.254 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.066 -8.929 -3.246 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.482 -8.478 -4.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.706 -10.684 -3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.869 -9.645 -2.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.497 -10.082 -1.676 1.00 0.00 H new ATOM 394 N CYS A 28 0.079 -3.906 -3.687 1.00 0.00 N ATOM 395 CA CYS A 28 -1.375 -4.022 -3.769 1.00 0.00 C ATOM 396 C CYS A 28 -1.742 -5.484 -3.639 1.00 0.00 C ATOM 397 O CYS A 28 -1.109 -6.384 -4.189 1.00 0.00 O ATOM 398 CB CYS A 28 -1.937 -3.463 -5.071 1.00 0.00 C ATOM 399 SG CYS A 28 -1.904 -1.670 -4.989 1.00 0.00 S ATOM 0 H CYS A 28 0.567 -3.809 -4.577 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.810 -3.432 -2.962 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.348 -3.813 -5.918 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.957 -3.816 -5.225 1.00 0.00 H new ATOM 404 N MET A 29 -2.795 -5.700 -2.884 1.00 0.00 N ATOM 405 CA MET A 29 -3.261 -7.069 -2.674 1.00 0.00 C ATOM 406 C MET A 29 -4.744 -7.023 -2.345 1.00 0.00 C ATOM 407 O MET A 29 -5.189 -6.206 -1.537 1.00 0.00 O ATOM 408 CB MET A 29 -2.453 -7.714 -1.549 1.00 0.00 C ATOM 409 CG MET A 29 -2.821 -9.185 -1.368 1.00 0.00 C ATOM 410 SD MET A 29 -1.762 -9.911 -0.107 1.00 0.00 S ATOM 411 CE MET A 29 -2.408 -11.591 -0.130 1.00 0.00 C ATOM 0 H MET A 29 -3.337 -4.975 -2.414 1.00 0.00 H new ATOM 0 HA MET A 29 -3.119 -7.673 -3.570 1.00 0.00 H new ATOM 0 HB2 MET A 29 -1.389 -7.628 -1.769 1.00 0.00 H new ATOM 0 HB3 MET A 29 -2.630 -7.176 -0.618 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.868 -9.277 -1.078 1.00 0.00 H new ATOM 0 HG3 MET A 29 -2.703 -9.720 -2.310 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.868 -12.198 0.596 1.00 0.00 H new ATOM 0 HE2 MET A 29 -3.468 -11.577 0.125 1.00 0.00 H new ATOM 0 HE3 MET A 29 -2.280 -12.016 -1.125 1.00 0.00 H new ATOM 421 N ASN A 30 -5.498 -7.874 -3.042 1.00 0.00 N ATOM 422 CA ASN A 30 -6.957 -7.965 -2.853 1.00 0.00 C ATOM 423 C ASN A 30 -7.654 -6.629 -3.113 1.00 0.00 C ATOM 424 O ASN A 30 -8.501 -6.183 -2.338 1.00 0.00 O ATOM 425 CB ASN A 30 -7.244 -8.497 -1.448 1.00 0.00 C ATOM 426 CG ASN A 30 -8.685 -8.963 -1.308 1.00 0.00 C ATOM 427 OD1 ASN A 30 -9.197 -9.738 -2.115 1.00 0.00 O ATOM 428 ND2 ASN A 30 -9.357 -8.490 -0.275 1.00 0.00 N ATOM 0 H ASN A 30 -5.127 -8.513 -3.745 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.366 -8.660 -3.586 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.570 -9.325 -1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.041 -7.717 -0.715 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.328 -8.766 -0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.905 -7.849 0.377 1.00 0.00 H new ATOM 435 N ARG A 31 -7.231 -5.960 -4.185 1.00 0.00 N ATOM 436 CA ARG A 31 -7.792 -4.658 -4.569 1.00 0.00 C ATOM 437 C ARG A 31 -7.595 -3.568 -3.498 1.00 0.00 C ATOM 438 O ARG A 31 -8.421 -2.665 -3.381 1.00 0.00 O ATOM 439 CB ARG A 31 -9.263 -4.820 -4.975 1.00 0.00 C ATOM 440 CG ARG A 31 -9.766 -3.737 -5.933 1.00 0.00 C ATOM 441 CD ARG A 31 -9.322 -4.002 -7.370 1.00 0.00 C ATOM 442 NE ARG A 31 -9.932 -3.002 -8.246 1.00 0.00 N ATOM 443 CZ ARG A 31 -9.703 -3.050 -9.550 1.00 0.00 C ATOM 444 NH1 ARG A 31 -8.931 -3.989 -10.067 1.00 0.00 N ATOM 445 NH2 ARG A 31 -10.253 -2.148 -10.342 1.00 0.00 N ATOM 0 H ARG A 31 -6.498 -6.298 -4.808 1.00 0.00 H new ATOM 0 HA ARG A 31 -7.231 -4.302 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -9.395 -5.795 -5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.880 -4.812 -4.077 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -10.854 -3.691 -5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.393 -2.765 -5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.235 -3.955 -7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.619 -5.004 -7.678 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.529 -2.273 -7.856 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.503 -4.689 -9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.763 -4.015 -11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.850 -1.420 -9.949 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.081 -2.179 -11.347 1.00 0.00 H new ATOM 458 N LYS A 32 -6.510 -3.602 -2.720 1.00 0.00 N ATOM 459 CA LYS A 32 -6.305 -2.570 -1.694 1.00 0.00 C ATOM 460 C LYS A 32 -4.811 -2.415 -1.466 1.00 0.00 C ATOM 461 O LYS A 32 -4.028 -3.324 -1.720 1.00 0.00 O ATOM 462 CB LYS A 32 -6.961 -2.946 -0.359 1.00 0.00 C ATOM 463 CG LYS A 32 -8.440 -2.557 -0.302 1.00 0.00 C ATOM 464 CD LYS A 32 -9.027 -2.805 1.083 1.00 0.00 C ATOM 465 CE LYS A 32 -10.497 -2.395 1.119 1.00 0.00 C ATOM 466 NZ LYS A 32 -11.048 -2.639 2.460 1.00 0.00 N ATOM 0 H LYS A 32 -5.778 -4.310 -2.775 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.761 -1.645 -2.047 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.865 -4.020 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.428 -2.455 0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -8.551 -1.505 -0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.997 -3.130 -1.043 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.930 -3.859 1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.467 -2.241 1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.597 -1.341 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.060 -2.960 0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.049 -2.358 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.967 -3.650 2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.518 -2.081 3.160 1.00 0.00 H new ATOM 479 N CYS A 33 -4.399 -1.260 -0.972 1.00 0.00 N ATOM 480 CA CYS A 33 -2.979 -1.055 -0.733 1.00 0.00 C ATOM 481 C CYS A 33 -2.526 -1.575 0.608 1.00 0.00 C ATOM 482 O CYS A 33 -2.815 -1.049 1.682 1.00 0.00 O ATOM 483 CB CYS A 33 -2.827 0.447 -0.707 1.00 0.00 C ATOM 484 SG CYS A 33 -1.208 1.058 -0.211 1.00 0.00 S ATOM 0 H CYS A 33 -5.003 -0.473 -0.735 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.392 -1.574 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.052 0.834 -1.701 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.574 0.858 -0.028 1.00 0.00 H new ATOM 489 N HIS A 34 -1.831 -2.671 0.463 1.00 0.00 N ATOM 490 CA HIS A 34 -1.266 -3.358 1.626 1.00 0.00 C ATOM 491 C HIS A 34 0.158 -2.846 1.643 1.00 0.00 C ATOM 492 O HIS A 34 0.653 -2.437 0.596 1.00 0.00 O ATOM 493 CB HIS A 34 -1.278 -4.880 1.482 1.00 0.00 C ATOM 494 CG HIS A 34 -2.613 -5.471 1.871 1.00 0.00 C ATOM 495 ND1 HIS A 34 -2.820 -6.232 3.013 1.00 0.00 N ATOM 496 CD2 HIS A 34 -3.785 -5.362 1.116 1.00 0.00 C ATOM 497 CE1 HIS A 34 -4.151 -6.519 2.826 1.00 0.00 C ATOM 498 NE2 HIS A 34 -4.810 -6.053 1.723 1.00 0.00 N ATOM 0 H HIS A 34 -1.636 -3.115 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.834 -3.163 2.536 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.048 -5.149 0.451 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.495 -5.310 2.106 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.874 -4.814 0.189 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.679 -7.116 3.555 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.780 -6.180 1.433 1.00 0.00 H new ATOM 506 N CYS A 35 0.815 -2.847 2.794 1.00 0.00 N ATOM 507 CA CYS A 35 2.198 -2.357 2.840 1.00 0.00 C ATOM 508 C CYS A 35 2.967 -3.219 3.827 1.00 0.00 C ATOM 509 O CYS A 35 2.385 -4.039 4.537 1.00 0.00 O ATOM 510 CB CYS A 35 2.297 -0.874 3.203 1.00 0.00 C ATOM 511 SG CYS A 35 0.779 0.048 2.908 1.00 0.00 S ATOM 0 H CYS A 35 0.435 -3.169 3.684 1.00 0.00 H new ATOM 0 HA CYS A 35 2.631 -2.436 1.843 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.567 -0.784 4.255 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.104 -0.421 2.627 1.00 0.00 H new ATOM 516 N THR A 36 4.281 -3.050 3.872 1.00 0.00 N ATOM 517 CA THR A 36 5.065 -3.865 4.802 1.00 0.00 C ATOM 518 C THR A 36 5.056 -3.186 6.187 1.00 0.00 C ATOM 519 O THR A 36 5.038 -1.956 6.202 1.00 0.00 O ATOM 520 CB THR A 36 6.482 -3.906 4.228 1.00 0.00 C ATOM 521 OG1 THR A 36 6.422 -4.412 2.903 1.00 0.00 O ATOM 522 CG2 THR A 36 7.412 -4.796 5.049 1.00 0.00 C ATOM 0 H THR A 36 4.812 -2.389 3.305 1.00 0.00 H new ATOM 0 HA THR A 36 4.665 -4.872 4.919 1.00 0.00 H new ATOM 0 HB THR A 36 6.882 -2.892 4.251 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.325 -4.442 2.523 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.406 -4.793 4.602 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.471 -4.417 6.069 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.023 -5.814 5.062 1.00 0.00 H new ATOM 530 N PRO A 37 5.097 -3.840 7.361 1.00 0.00 N ATOM 531 CA PRO A 37 5.085 -3.103 8.626 1.00 0.00 C ATOM 532 C PRO A 37 6.354 -2.290 8.839 1.00 0.00 C ATOM 533 O PRO A 37 7.435 -2.640 8.366 1.00 0.00 O ATOM 534 CB PRO A 37 4.997 -4.213 9.671 1.00 0.00 C ATOM 535 CG PRO A 37 4.306 -5.360 8.945 1.00 0.00 C ATOM 536 CD PRO A 37 4.868 -5.278 7.529 1.00 0.00 C ATOM 0 HA PRO A 37 4.270 -2.380 8.667 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.986 -4.505 10.025 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.427 -3.894 10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.528 -6.321 9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.222 -5.245 8.954 1.00 0.00 H new ATOM 0 HD2 PRO A 37 5.790 -5.851 7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.166 -5.666 6.791 1.00 0.00 H new ATOM 544 N LYS A 38 6.234 -1.191 9.560 1.00 0.00 N ATOM 545 CA LYS A 38 7.421 -0.374 9.796 1.00 0.00 C ATOM 546 C LYS A 38 8.340 -1.112 10.757 1.00 0.00 C ATOM 547 O LYS A 38 8.198 -1.097 11.978 1.00 0.00 O ATOM 548 CB LYS A 38 6.987 0.973 10.373 1.00 0.00 C ATOM 549 CG LYS A 38 8.166 1.935 10.508 1.00 0.00 C ATOM 550 CD LYS A 38 7.681 3.298 10.992 1.00 0.00 C ATOM 551 CE LYS A 38 8.853 4.266 11.120 1.00 0.00 C ATOM 552 NZ LYS A 38 8.370 5.574 11.587 1.00 0.00 N ATOM 553 OXT LYS A 38 9.333 -1.787 10.097 1.00 0.00 O ATOM 0 H LYS A 38 5.369 -0.849 9.979 1.00 0.00 H new ATOM 0 HA LYS A 38 7.961 -0.195 8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.227 1.417 9.730 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.528 0.820 11.350 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.896 1.531 11.209 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.671 2.040 9.548 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.946 3.698 10.294 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.182 3.192 11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.589 3.869 11.819 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.353 4.375 10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.172 6.230 11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.683 5.954 10.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.912 5.464 12.514 1.00 0.00 H new TER 567 LYS A 38