USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 453 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 Set 1.1: A 21 THR OG1 : rot 180:sc= 0.0978 USER MOD Set 1.2: A 22 ASN : amide:sc= -0.0611 X(o=0.037,f=-0.33) USER MOD Single : A 1 LEU N :NH3+ -105:sc= 0.522 (180deg=0.04) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 5 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.33) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.0204 USER MOD Single : A 15 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.12) USER MOD Single : A 16 THR OG1 : rot 39:sc= 0.45 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -110:sc= 0.328 (180deg=-0.0724) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 28:sc= 0.966 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0988 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.229 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0366) USER MOD Single : A 60 ASN : amide:sc= 0.0672 K(o=0.067,f=-2.5!) USER MOD Single : A 61 ASN : amide:sc= -0.0556 X(o=-0.056,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -8.572 -10.959 6.848 1.00 0.00 N ATOM 2 CA LEU A 1 -7.092 -10.967 6.734 1.00 0.00 C ATOM 3 C LEU A 1 -6.781 -9.747 7.586 1.00 0.00 C ATOM 4 O LEU A 1 -7.715 -9.044 7.930 1.00 0.00 O ATOM 5 CB LEU A 1 -6.613 -10.718 5.284 1.00 0.00 C ATOM 6 CG LEU A 1 -5.314 -11.532 4.943 1.00 0.00 C ATOM 7 CD1 LEU A 1 -5.584 -13.067 4.790 1.00 0.00 C ATOM 8 CD2 LEU A 1 -4.701 -10.980 3.622 1.00 0.00 C ATOM 0 H1 LEU A 1 -8.874 -11.714 7.496 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.887 -10.039 7.218 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.993 -11.118 5.911 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.623 -11.907 7.025 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.406 -10.993 4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -6.421 -9.654 5.144 1.00 0.00 H new ATOM 0 HG LEU A 1 -4.622 -11.409 5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -4.651 -13.579 4.555 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.988 -13.460 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -6.301 -13.232 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.798 -11.540 3.378 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -5.424 -11.086 2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -4.451 -9.927 3.749 1.00 0.00 H new ATOM 22 N GLU A 2 -5.545 -9.504 7.909 1.00 0.00 N ATOM 23 CA GLU A 2 -5.226 -8.312 8.746 1.00 0.00 C ATOM 24 C GLU A 2 -4.002 -7.730 8.064 1.00 0.00 C ATOM 25 O GLU A 2 -3.239 -8.556 7.596 1.00 0.00 O ATOM 26 CB GLU A 2 -4.779 -8.666 10.176 1.00 0.00 C ATOM 27 CG GLU A 2 -5.695 -9.701 10.870 1.00 0.00 C ATOM 28 CD GLU A 2 -5.371 -9.689 12.377 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.459 -10.406 12.757 1.00 0.00 O ATOM 30 OE2 GLU A 2 -6.056 -8.949 13.065 1.00 0.00 O ATOM 0 H GLU A 2 -4.745 -10.073 7.633 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.103 -7.670 8.827 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.762 -9.056 10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.753 -7.756 10.776 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -6.744 -9.454 10.704 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -5.532 -10.695 10.453 1.00 0.00 H new ATOM 37 N CYS A 3 -3.839 -6.425 8.024 1.00 0.00 N ATOM 38 CA CYS A 3 -2.626 -5.844 7.362 1.00 0.00 C ATOM 39 C CYS A 3 -2.217 -4.538 8.045 1.00 0.00 C ATOM 40 O CYS A 3 -2.939 -4.017 8.882 1.00 0.00 O ATOM 41 CB CYS A 3 -2.853 -5.548 5.846 1.00 0.00 C ATOM 42 SG CYS A 3 -2.456 -6.960 4.776 1.00 0.00 S ATOM 0 H CYS A 3 -4.488 -5.744 8.418 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.840 -6.594 7.457 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.893 -5.263 5.690 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.241 -4.695 5.553 1.00 0.00 H new ATOM 47 N HIS A 4 -1.074 -4.035 7.645 1.00 0.00 N ATOM 48 CA HIS A 4 -0.507 -2.769 8.218 1.00 0.00 C ATOM 49 C HIS A 4 -0.920 -1.629 7.321 1.00 0.00 C ATOM 50 O HIS A 4 -1.079 -1.884 6.147 1.00 0.00 O ATOM 51 CB HIS A 4 1.023 -2.781 8.210 1.00 0.00 C ATOM 52 CG HIS A 4 1.614 -3.893 9.098 1.00 0.00 C ATOM 53 ND1 HIS A 4 2.014 -3.755 10.326 1.00 0.00 N ATOM 54 CD2 HIS A 4 1.850 -5.237 8.814 1.00 0.00 C ATOM 55 CE1 HIS A 4 2.453 -4.889 10.767 1.00 0.00 C ATOM 56 NE2 HIS A 4 2.372 -5.836 9.867 1.00 0.00 N ATOM 0 H HIS A 4 -0.492 -4.461 6.924 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.870 -2.669 9.241 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.376 -2.913 7.187 1.00 0.00 H new ATOM 0 HB3 HIS A 4 1.392 -1.814 8.552 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.637 -5.717 7.871 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.842 -5.037 11.764 1.00 0.00 H new ATOM 0 HE2 HIS A 4 2.649 -6.813 9.959 1.00 0.00 H new ATOM 64 N ASN A 5 -1.078 -0.427 7.828 1.00 0.00 N ATOM 65 CA ASN A 5 -1.488 0.697 6.909 1.00 0.00 C ATOM 66 C ASN A 5 -0.754 1.979 7.267 1.00 0.00 C ATOM 67 O ASN A 5 -1.308 3.049 7.149 1.00 0.00 O ATOM 68 CB ASN A 5 -3.005 1.035 7.009 1.00 0.00 C ATOM 69 CG ASN A 5 -3.426 1.572 8.407 1.00 0.00 C ATOM 70 OD1 ASN A 5 -3.395 2.753 8.702 1.00 0.00 O ATOM 71 ND2 ASN A 5 -3.835 0.734 9.329 1.00 0.00 N ATOM 0 H ASN A 5 -0.947 -0.175 8.808 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.246 0.349 5.905 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.255 1.778 6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.585 0.141 6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.111 1.081 10.248 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -3.878 -0.265 9.127 1.00 0.00 H new ATOM 78 N GLN A 6 0.483 1.890 7.665 1.00 0.00 N ATOM 79 CA GLN A 6 1.198 3.156 8.036 1.00 0.00 C ATOM 80 C GLN A 6 1.737 3.905 6.820 1.00 0.00 C ATOM 81 O GLN A 6 1.858 3.312 5.764 1.00 0.00 O ATOM 82 CB GLN A 6 2.360 2.793 9.012 1.00 0.00 C ATOM 83 CG GLN A 6 3.286 1.724 8.428 1.00 0.00 C ATOM 84 CD GLN A 6 3.947 1.013 9.618 1.00 0.00 C ATOM 85 OE1 GLN A 6 4.525 1.641 10.478 1.00 0.00 O ATOM 86 NE2 GLN A 6 3.896 -0.290 9.724 1.00 0.00 N ATOM 0 H GLN A 6 1.022 1.028 7.750 1.00 0.00 H new ATOM 0 HA GLN A 6 0.486 3.827 8.516 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.938 3.689 9.237 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.944 2.437 9.954 1.00 0.00 H new ATOM 0 HG2 GLN A 6 2.724 1.017 7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.038 2.175 7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 6 3.415 -0.841 9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 6 4.337 -0.755 10.518 1.00 0.00 H new ATOM 95 N GLN A 7 2.063 5.166 7.001 1.00 0.00 N ATOM 96 CA GLN A 7 2.593 6.010 5.884 1.00 0.00 C ATOM 97 C GLN A 7 3.985 6.547 6.204 1.00 0.00 C ATOM 98 O GLN A 7 4.242 6.947 7.318 1.00 0.00 O ATOM 99 CB GLN A 7 1.729 7.274 5.630 1.00 0.00 C ATOM 100 CG GLN A 7 0.328 6.969 5.129 1.00 0.00 C ATOM 101 CD GLN A 7 -0.506 8.201 5.514 1.00 0.00 C ATOM 102 OE1 GLN A 7 -0.142 9.319 5.204 1.00 0.00 O ATOM 103 NE2 GLN A 7 -1.613 8.052 6.190 1.00 0.00 N ATOM 0 H GLN A 7 1.981 5.652 7.894 1.00 0.00 H new ATOM 0 HA GLN A 7 2.591 5.350 5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.657 7.846 6.555 1.00 0.00 H new ATOM 0 HB3 GLN A 7 2.235 7.908 4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 7 0.320 6.808 4.051 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.068 6.064 5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -1.927 7.118 6.455 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -2.164 8.869 6.453 1.00 0.00 H new ATOM 112 N SER A 8 4.787 6.548 5.186 1.00 0.00 N ATOM 113 CA SER A 8 6.190 7.017 5.186 1.00 0.00 C ATOM 114 C SER A 8 6.964 7.217 6.506 1.00 0.00 C ATOM 115 O SER A 8 7.918 6.493 6.711 1.00 0.00 O ATOM 116 CB SER A 8 6.176 8.350 4.333 1.00 0.00 C ATOM 117 OG SER A 8 7.482 8.909 4.268 1.00 0.00 O ATOM 0 H SER A 8 4.492 6.209 4.270 1.00 0.00 H new ATOM 0 HA SER A 8 6.769 6.185 4.784 1.00 0.00 H new ATOM 0 HB2 SER A 8 5.812 8.142 3.327 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.488 9.068 4.779 1.00 0.00 H new ATOM 0 HG SER A 8 7.460 9.732 3.736 1.00 0.00 H new ATOM 123 N SER A 9 6.584 8.141 7.347 1.00 0.00 N ATOM 124 CA SER A 9 7.360 8.339 8.598 1.00 0.00 C ATOM 125 C SER A 9 6.426 8.438 9.831 1.00 0.00 C ATOM 126 O SER A 9 6.891 8.732 10.914 1.00 0.00 O ATOM 127 CB SER A 9 8.183 9.647 8.299 1.00 0.00 C ATOM 128 OG SER A 9 9.448 9.675 8.949 1.00 0.00 O ATOM 0 H SER A 9 5.781 8.758 7.223 1.00 0.00 H new ATOM 0 HA SER A 9 8.017 7.508 8.856 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.333 9.736 7.223 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.601 10.514 8.613 1.00 0.00 H new ATOM 0 HG SER A 9 9.912 10.508 8.725 1.00 0.00 H new ATOM 134 N GLN A 10 5.153 8.194 9.707 1.00 0.00 N ATOM 135 CA GLN A 10 4.310 8.333 10.937 1.00 0.00 C ATOM 136 C GLN A 10 4.427 7.044 11.753 1.00 0.00 C ATOM 137 O GLN A 10 4.862 6.069 11.187 1.00 0.00 O ATOM 138 CB GLN A 10 2.838 8.533 10.534 1.00 0.00 C ATOM 139 CG GLN A 10 2.584 9.795 9.702 1.00 0.00 C ATOM 140 CD GLN A 10 1.912 10.790 10.656 1.00 0.00 C ATOM 141 OE1 GLN A 10 2.582 11.506 11.369 1.00 0.00 O ATOM 142 NE2 GLN A 10 0.608 10.866 10.722 1.00 0.00 N ATOM 0 H GLN A 10 4.671 7.917 8.852 1.00 0.00 H new ATOM 0 HA GLN A 10 4.647 9.189 11.521 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.506 7.664 9.966 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.228 8.576 11.436 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.517 10.199 9.308 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.944 9.578 8.847 1.00 0.00 H new ATOM 0 HE21 GLN A 10 0.032 10.270 10.128 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.167 11.522 11.367 1.00 0.00 H new ATOM 151 N PRO A 11 4.050 7.049 13.018 1.00 0.00 N ATOM 152 CA PRO A 11 4.128 5.831 13.881 1.00 0.00 C ATOM 153 C PRO A 11 3.120 4.775 13.363 1.00 0.00 C ATOM 154 O PRO A 11 2.250 5.138 12.602 1.00 0.00 O ATOM 155 CB PRO A 11 3.777 6.284 15.303 1.00 0.00 C ATOM 156 CG PRO A 11 3.766 7.857 15.267 1.00 0.00 C ATOM 157 CD PRO A 11 3.534 8.230 13.765 1.00 0.00 C ATOM 0 HA PRO A 11 5.118 5.376 13.864 1.00 0.00 H new ATOM 0 HB2 PRO A 11 2.806 5.894 15.608 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.509 5.915 16.022 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.975 8.260 15.900 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.707 8.266 15.634 1.00 0.00 H new ATOM 0 HD2 PRO A 11 2.479 8.405 13.555 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.069 9.140 13.492 1.00 0.00 H new ATOM 165 N PRO A 12 3.242 3.537 13.793 1.00 0.00 N ATOM 166 CA PRO A 12 2.339 2.419 13.360 1.00 0.00 C ATOM 167 C PRO A 12 0.815 2.327 13.645 1.00 0.00 C ATOM 168 O PRO A 12 0.373 2.713 14.713 1.00 0.00 O ATOM 169 CB PRO A 12 2.999 1.140 13.898 1.00 0.00 C ATOM 170 CG PRO A 12 4.088 1.576 14.949 1.00 0.00 C ATOM 171 CD PRO A 12 4.302 3.107 14.747 1.00 0.00 C ATOM 0 HA PRO A 12 2.274 2.610 12.289 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.256 0.491 14.362 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.455 0.573 13.086 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.757 1.360 15.965 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.018 1.030 14.795 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.219 3.643 15.693 1.00 0.00 H new ATOM 0 HD3 PRO A 12 5.295 3.315 14.349 1.00 0.00 H new ATOM 179 N THR A 13 0.094 1.803 12.670 1.00 0.00 N ATOM 180 CA THR A 13 -1.375 1.610 12.747 1.00 0.00 C ATOM 181 C THR A 13 -1.758 0.260 11.982 1.00 0.00 C ATOM 182 O THR A 13 -1.079 -0.070 11.015 1.00 0.00 O ATOM 183 CB THR A 13 -1.934 2.888 12.109 1.00 0.00 C ATOM 184 OG1 THR A 13 -1.028 3.098 11.021 1.00 0.00 O ATOM 185 CG2 THR A 13 -1.770 4.133 13.034 1.00 0.00 C ATOM 0 H THR A 13 0.499 1.491 11.787 1.00 0.00 H new ATOM 0 HA THR A 13 -1.784 1.484 13.750 1.00 0.00 H new ATOM 0 HB THR A 13 -2.992 2.781 11.870 1.00 0.00 H new ATOM 0 HG1 THR A 13 -1.290 3.903 10.528 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.181 5.012 12.537 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.302 3.963 13.970 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.712 4.295 13.242 1.00 0.00 H new ATOM 193 N THR A 14 -2.779 -0.476 12.374 1.00 0.00 N ATOM 194 CA THR A 14 -3.148 -1.734 11.662 1.00 0.00 C ATOM 195 C THR A 14 -4.687 -1.721 11.350 1.00 0.00 C ATOM 196 O THR A 14 -5.355 -0.886 11.931 1.00 0.00 O ATOM 197 CB THR A 14 -2.698 -2.777 12.638 1.00 0.00 C ATOM 198 OG1 THR A 14 -2.505 -1.931 13.780 1.00 0.00 O ATOM 199 CG2 THR A 14 -1.297 -3.335 12.273 1.00 0.00 C ATOM 0 H THR A 14 -3.376 -0.249 13.169 1.00 0.00 H new ATOM 0 HA THR A 14 -2.694 -1.897 10.685 1.00 0.00 H new ATOM 0 HB THR A 14 -3.375 -3.628 12.721 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.201 -2.471 14.539 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.004 -4.089 13.004 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.332 -3.785 11.281 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.570 -2.523 12.278 1.00 0.00 H new ATOM 207 N LYS A 15 -5.201 -2.584 10.489 1.00 0.00 N ATOM 208 CA LYS A 15 -6.671 -2.616 10.159 1.00 0.00 C ATOM 209 C LYS A 15 -7.042 -4.090 9.927 1.00 0.00 C ATOM 210 O LYS A 15 -6.129 -4.859 9.664 1.00 0.00 O ATOM 211 CB LYS A 15 -6.977 -1.842 8.859 1.00 0.00 C ATOM 212 CG LYS A 15 -7.334 -0.358 9.152 1.00 0.00 C ATOM 213 CD LYS A 15 -8.883 -0.238 9.103 1.00 0.00 C ATOM 214 CE LYS A 15 -9.345 1.161 9.529 1.00 0.00 C ATOM 215 NZ LYS A 15 -9.134 1.341 10.991 1.00 0.00 N ATOM 0 H LYS A 15 -4.648 -3.282 9.992 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.234 -2.158 10.972 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.113 -1.886 8.196 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.805 -2.320 8.336 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.956 -0.057 10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.874 0.301 8.416 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.235 -0.448 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.329 -0.986 9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.791 1.920 8.977 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.399 1.295 9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.642 2.189 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.494 0.508 11.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.118 1.452 11.184 1.00 0.00 H new ATOM 229 N THR A 16 -8.305 -4.440 10.013 1.00 0.00 N ATOM 230 CA THR A 16 -8.730 -5.843 9.798 1.00 0.00 C ATOM 231 C THR A 16 -9.809 -5.831 8.675 1.00 0.00 C ATOM 232 O THR A 16 -10.698 -5.006 8.799 1.00 0.00 O ATOM 233 CB THR A 16 -9.248 -6.283 11.166 1.00 0.00 C ATOM 234 OG1 THR A 16 -10.067 -5.178 11.554 1.00 0.00 O ATOM 235 CG2 THR A 16 -8.128 -6.290 12.241 1.00 0.00 C ATOM 0 H THR A 16 -9.065 -3.794 10.227 1.00 0.00 H new ATOM 0 HA THR A 16 -7.956 -6.535 9.466 1.00 0.00 H new ATOM 0 HB THR A 16 -9.704 -7.271 11.102 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.557 -4.844 10.774 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.543 -6.609 13.197 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.339 -6.979 11.940 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.714 -5.287 12.342 1.00 0.00 H new ATOM 243 N CYS A 17 -9.745 -6.681 7.676 1.00 0.00 N ATOM 244 CA CYS A 17 -10.787 -6.660 6.599 1.00 0.00 C ATOM 245 C CYS A 17 -11.297 -8.095 6.274 1.00 0.00 C ATOM 246 O CYS A 17 -11.124 -8.543 5.158 1.00 0.00 O ATOM 247 CB CYS A 17 -10.169 -6.013 5.305 1.00 0.00 C ATOM 248 SG CYS A 17 -9.494 -4.319 5.386 1.00 0.00 S ATOM 0 H CYS A 17 -9.018 -7.387 7.560 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.637 -6.074 6.948 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.368 -6.668 4.962 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.940 -6.022 4.535 1.00 0.00 H new ATOM 253 N PRO A 18 -11.904 -8.818 7.182 1.00 0.00 N ATOM 254 CA PRO A 18 -12.387 -10.194 6.887 1.00 0.00 C ATOM 255 C PRO A 18 -13.477 -10.270 5.831 1.00 0.00 C ATOM 256 O PRO A 18 -14.645 -10.156 6.145 1.00 0.00 O ATOM 257 CB PRO A 18 -12.869 -10.758 8.217 1.00 0.00 C ATOM 258 CG PRO A 18 -13.259 -9.489 9.032 1.00 0.00 C ATOM 259 CD PRO A 18 -12.214 -8.411 8.579 1.00 0.00 C ATOM 0 HA PRO A 18 -11.572 -10.774 6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -13.720 -11.427 8.084 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.088 -11.331 8.716 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.279 -9.172 8.814 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.204 -9.672 10.105 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.627 -7.403 8.624 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -11.325 -8.420 9.209 1.00 0.00 H new ATOM 267 N GLY A 19 -13.086 -10.465 4.619 1.00 0.00 N ATOM 268 CA GLY A 19 -14.087 -10.549 3.570 1.00 0.00 C ATOM 269 C GLY A 19 -13.185 -10.521 2.363 1.00 0.00 C ATOM 270 O GLY A 19 -13.403 -11.228 1.402 1.00 0.00 O ATOM 0 H GLY A 19 -12.117 -10.569 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.680 -11.462 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.786 -9.713 3.590 1.00 0.00 H new ATOM 274 N GLU A 20 -12.162 -9.715 2.435 1.00 0.00 N ATOM 275 CA GLU A 20 -11.247 -9.646 1.266 1.00 0.00 C ATOM 276 C GLU A 20 -10.148 -10.639 1.556 1.00 0.00 C ATOM 277 O GLU A 20 -9.834 -10.837 2.713 1.00 0.00 O ATOM 278 CB GLU A 20 -10.661 -8.230 1.152 1.00 0.00 C ATOM 279 CG GLU A 20 -11.766 -7.256 0.675 1.00 0.00 C ATOM 280 CD GLU A 20 -11.405 -5.808 1.040 1.00 0.00 C ATOM 281 OE1 GLU A 20 -10.462 -5.291 0.461 1.00 0.00 O ATOM 282 OE2 GLU A 20 -12.114 -5.302 1.895 1.00 0.00 O ATOM 0 H GLU A 20 -11.925 -9.118 3.228 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.758 -9.871 0.330 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.268 -7.908 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.827 -8.224 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.894 -7.344 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.718 -7.525 1.132 1.00 0.00 H new ATOM 289 N THR A 21 -9.599 -11.210 0.526 1.00 0.00 N ATOM 290 CA THR A 21 -8.533 -12.192 0.710 1.00 0.00 C ATOM 291 C THR A 21 -7.147 -11.610 0.322 1.00 0.00 C ATOM 292 O THR A 21 -6.149 -12.275 0.522 1.00 0.00 O ATOM 293 CB THR A 21 -8.962 -13.343 -0.190 1.00 0.00 C ATOM 294 OG1 THR A 21 -9.269 -12.594 -1.368 1.00 0.00 O ATOM 295 CG2 THR A 21 -10.370 -13.928 0.133 1.00 0.00 C ATOM 0 H THR A 21 -9.856 -11.027 -0.444 1.00 0.00 H new ATOM 0 HA THR A 21 -8.406 -12.504 1.747 1.00 0.00 H new ATOM 0 HB THR A 21 -8.222 -14.143 -0.167 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.570 -13.203 -2.074 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.593 -14.742 -0.557 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.381 -14.305 1.156 1.00 0.00 H new ATOM 0 HG23 THR A 21 -11.122 -13.146 0.026 1.00 0.00 H new ATOM 303 N ASN A 22 -7.090 -10.416 -0.215 1.00 0.00 N ATOM 304 CA ASN A 22 -5.749 -9.857 -0.629 1.00 0.00 C ATOM 305 C ASN A 22 -5.379 -8.509 -0.036 1.00 0.00 C ATOM 306 O ASN A 22 -6.275 -7.854 0.462 1.00 0.00 O ATOM 307 CB ASN A 22 -5.691 -9.619 -2.125 1.00 0.00 C ATOM 308 CG ASN A 22 -6.684 -10.538 -2.867 1.00 0.00 C ATOM 309 OD1 ASN A 22 -7.875 -10.278 -2.892 1.00 0.00 O ATOM 310 ND2 ASN A 22 -6.280 -11.621 -3.478 1.00 0.00 N ATOM 0 H ASN A 22 -7.892 -9.809 -0.385 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.063 -10.621 -0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.923 -8.576 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.679 -9.802 -2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.954 -12.219 -3.956 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.290 -11.868 -3.477 1.00 0.00 H new ATOM 317 N CYS A 23 -4.108 -8.133 -0.121 1.00 0.00 N ATOM 318 CA CYS A 23 -3.639 -6.798 0.431 1.00 0.00 C ATOM 319 C CYS A 23 -2.710 -6.138 -0.618 1.00 0.00 C ATOM 320 O CYS A 23 -2.201 -6.885 -1.441 1.00 0.00 O ATOM 321 CB CYS A 23 -2.845 -6.961 1.746 1.00 0.00 C ATOM 322 SG CYS A 23 -3.807 -7.106 3.280 1.00 0.00 S ATOM 0 H CYS A 23 -3.373 -8.695 -0.550 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.518 -6.188 0.638 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.218 -7.848 1.655 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.176 -6.106 1.846 1.00 0.00 H new ATOM 327 N TYR A 24 -2.492 -4.822 -0.560 1.00 0.00 N ATOM 328 CA TYR A 24 -1.607 -4.110 -1.579 1.00 0.00 C ATOM 329 C TYR A 24 -0.484 -3.142 -1.122 1.00 0.00 C ATOM 330 O TYR A 24 -0.442 -2.749 0.033 1.00 0.00 O ATOM 331 CB TYR A 24 -2.500 -3.280 -2.577 1.00 0.00 C ATOM 332 CG TYR A 24 -3.182 -1.942 -2.102 1.00 0.00 C ATOM 333 CD1 TYR A 24 -2.473 -0.749 -2.041 1.00 0.00 C ATOM 334 CD2 TYR A 24 -4.531 -1.897 -1.773 1.00 0.00 C ATOM 335 CE1 TYR A 24 -3.084 0.436 -1.673 1.00 0.00 C ATOM 336 CE2 TYR A 24 -5.146 -0.714 -1.405 1.00 0.00 C ATOM 337 CZ TYR A 24 -4.430 0.470 -1.353 1.00 0.00 C ATOM 338 OH TYR A 24 -5.060 1.649 -1.000 1.00 0.00 O ATOM 0 H TYR A 24 -2.891 -4.210 0.152 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.077 -4.968 -1.992 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -1.881 -3.039 -3.441 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.293 -3.941 -2.928 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.421 -0.747 -2.286 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.113 -2.806 -1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.504 1.346 -1.635 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -6.197 -0.714 -1.155 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.005 1.471 -0.812 1.00 0.00 H new ATOM 348 N LYS A 25 0.378 -2.792 -2.070 1.00 0.00 N ATOM 349 CA LYS A 25 1.558 -1.854 -1.902 1.00 0.00 C ATOM 350 C LYS A 25 1.443 -0.909 -3.126 1.00 0.00 C ATOM 351 O LYS A 25 1.126 -1.445 -4.176 1.00 0.00 O ATOM 352 CB LYS A 25 2.959 -2.558 -2.027 1.00 0.00 C ATOM 353 CG LYS A 25 3.622 -2.960 -0.661 1.00 0.00 C ATOM 354 CD LYS A 25 4.889 -3.856 -0.901 1.00 0.00 C ATOM 355 CE LYS A 25 5.838 -3.795 0.322 1.00 0.00 C ATOM 356 NZ LYS A 25 6.871 -4.873 0.237 1.00 0.00 N ATOM 0 H LYS A 25 0.300 -3.149 -3.022 1.00 0.00 H new ATOM 0 HA LYS A 25 1.519 -1.394 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.846 -3.454 -2.637 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.637 -1.893 -2.561 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.904 -2.063 -0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.901 -3.498 -0.046 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.584 -4.887 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.415 -3.519 -1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.324 -2.820 0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.263 -3.905 1.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.499 -4.818 1.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.403 -5.802 0.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.430 -4.750 -0.631 1.00 0.00 H new ATOM 370 N LYS A 26 1.696 0.386 -2.987 1.00 0.00 N ATOM 371 CA LYS A 26 1.608 1.386 -4.133 1.00 0.00 C ATOM 372 C LYS A 26 2.816 2.354 -4.117 1.00 0.00 C ATOM 373 O LYS A 26 3.257 2.623 -3.012 1.00 0.00 O ATOM 374 CB LYS A 26 0.430 2.367 -4.033 1.00 0.00 C ATOM 375 CG LYS A 26 -0.850 2.043 -4.835 1.00 0.00 C ATOM 376 CD LYS A 26 -1.829 3.240 -4.616 1.00 0.00 C ATOM 377 CE LYS A 26 -3.173 3.009 -5.324 1.00 0.00 C ATOM 378 NZ LYS A 26 -3.921 1.902 -4.662 1.00 0.00 N ATOM 0 H LYS A 26 1.969 0.807 -2.099 1.00 0.00 H new ATOM 0 HA LYS A 26 1.533 0.743 -5.010 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.154 2.452 -2.982 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.784 3.348 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.622 1.917 -5.894 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.296 1.110 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.999 3.381 -3.549 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.373 4.157 -4.990 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.766 3.923 -5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.003 2.766 -6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.944 1.074 -5.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.448 1.647 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.893 2.212 -4.461 1.00 0.00 H new ATOM 392 N VAL A 27 3.290 2.842 -5.256 1.00 0.00 N ATOM 393 CA VAL A 27 4.452 3.800 -5.264 1.00 0.00 C ATOM 394 C VAL A 27 4.178 4.802 -6.427 1.00 0.00 C ATOM 395 O VAL A 27 3.715 4.315 -7.451 1.00 0.00 O ATOM 396 CB VAL A 27 5.799 3.113 -5.611 1.00 0.00 C ATOM 397 CG1 VAL A 27 7.008 3.931 -5.065 1.00 0.00 C ATOM 398 CG2 VAL A 27 5.836 1.634 -5.149 1.00 0.00 C ATOM 0 H VAL A 27 2.918 2.614 -6.178 1.00 0.00 H new ATOM 0 HA VAL A 27 4.533 4.248 -4.274 1.00 0.00 H new ATOM 0 HB VAL A 27 5.885 3.096 -6.698 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.937 3.424 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.003 4.927 -5.507 1.00 0.00 H new ATOM 0 HG13 VAL A 27 6.931 4.015 -3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.798 1.194 -5.413 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.700 1.587 -4.069 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.036 1.079 -5.640 1.00 0.00 H new ATOM 408 N TRP A 28 4.432 6.097 -6.289 1.00 0.00 N ATOM 409 CA TRP A 28 4.167 7.006 -7.459 1.00 0.00 C ATOM 410 C TRP A 28 5.109 8.228 -7.348 1.00 0.00 C ATOM 411 O TRP A 28 5.643 8.453 -6.275 1.00 0.00 O ATOM 412 CB TRP A 28 2.650 7.452 -7.505 1.00 0.00 C ATOM 413 CG TRP A 28 2.084 8.457 -6.499 1.00 0.00 C ATOM 414 CD1 TRP A 28 2.023 9.799 -6.710 1.00 0.00 C ATOM 415 CD2 TRP A 28 1.531 8.175 -5.302 1.00 0.00 C ATOM 416 NE1 TRP A 28 1.428 10.229 -5.617 1.00 0.00 N ATOM 417 CE2 TRP A 28 1.089 9.334 -4.703 1.00 0.00 C ATOM 418 CE3 TRP A 28 1.369 6.967 -4.666 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.480 9.279 -3.461 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.763 6.906 -3.428 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.319 8.068 -2.827 1.00 0.00 C ATOM 0 H TRP A 28 4.797 6.545 -5.449 1.00 0.00 H new ATOM 0 HA TRP A 28 4.365 6.475 -8.390 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.470 7.862 -8.499 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.050 6.546 -7.420 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.374 10.368 -7.559 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.234 11.221 -5.479 1.00 0.00 H new ATOM 0 HE3 TRP A 28 1.718 6.061 -5.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.131 10.186 -2.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.636 5.955 -2.932 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -0.155 8.026 -1.858 1.00 0.00 H new ATOM 432 N ARG A 29 5.292 8.986 -8.414 1.00 0.00 N ATOM 433 CA ARG A 29 6.209 10.188 -8.399 1.00 0.00 C ATOM 434 C ARG A 29 5.350 11.443 -8.445 1.00 0.00 C ATOM 435 O ARG A 29 4.248 11.362 -8.952 1.00 0.00 O ATOM 436 CB ARG A 29 7.144 10.227 -9.656 1.00 0.00 C ATOM 437 CG ARG A 29 8.178 9.044 -9.691 1.00 0.00 C ATOM 438 CD ARG A 29 8.856 8.905 -11.106 1.00 0.00 C ATOM 439 NE ARG A 29 9.457 10.208 -11.542 1.00 0.00 N ATOM 440 CZ ARG A 29 10.294 10.265 -12.552 1.00 0.00 C ATOM 441 NH1 ARG A 29 10.625 9.181 -13.202 1.00 0.00 N ATOM 442 NH2 ARG A 29 10.785 11.428 -12.888 1.00 0.00 N ATOM 0 H ARG A 29 4.836 8.820 -9.311 1.00 0.00 H new ATOM 0 HA ARG A 29 6.822 10.130 -7.500 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.532 10.194 -10.558 1.00 0.00 H new ATOM 0 HB3 ARG A 29 7.683 11.174 -9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.945 9.209 -8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.674 8.112 -9.436 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.629 8.138 -11.069 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.117 8.578 -11.837 1.00 0.00 H new ATOM 0 HE ARG A 29 9.211 11.064 -11.045 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.232 8.281 -12.926 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.276 9.235 -13.985 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.516 12.264 -12.369 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.437 11.500 -13.669 1.00 0.00 H new ATOM 456 N ASP A 30 5.844 12.552 -7.943 1.00 0.00 N ATOM 457 CA ASP A 30 5.049 13.813 -7.953 1.00 0.00 C ATOM 458 C ASP A 30 6.125 14.869 -8.153 1.00 0.00 C ATOM 459 O ASP A 30 7.262 14.513 -8.349 1.00 0.00 O ATOM 460 CB ASP A 30 4.357 14.068 -6.599 1.00 0.00 C ATOM 461 CG ASP A 30 3.140 14.999 -6.742 1.00 0.00 C ATOM 462 OD1 ASP A 30 2.128 14.487 -7.196 1.00 0.00 O ATOM 463 OD2 ASP A 30 3.286 16.160 -6.394 1.00 0.00 O ATOM 0 H ASP A 30 6.771 12.633 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 30 4.259 13.799 -8.704 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.039 13.118 -6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.071 14.509 -5.904 1.00 0.00 H new ATOM 468 N HIS A 31 5.723 16.110 -8.071 1.00 0.00 N ATOM 469 CA HIS A 31 6.631 17.294 -8.244 1.00 0.00 C ATOM 470 C HIS A 31 7.669 17.417 -7.154 1.00 0.00 C ATOM 471 O HIS A 31 8.789 17.798 -7.405 1.00 0.00 O ATOM 472 CB HIS A 31 5.767 18.600 -8.270 1.00 0.00 C ATOM 473 CG HIS A 31 6.563 19.930 -8.349 1.00 0.00 C ATOM 474 ND1 HIS A 31 6.869 20.713 -7.355 1.00 0.00 N ATOM 475 CD2 HIS A 31 7.101 20.577 -9.458 1.00 0.00 C ATOM 476 CE1 HIS A 31 7.525 21.741 -7.794 1.00 0.00 C ATOM 477 NE2 HIS A 31 7.692 21.698 -9.092 1.00 0.00 N ATOM 0 H HIS A 31 4.754 16.367 -7.882 1.00 0.00 H new ATOM 0 HA HIS A 31 7.167 17.149 -9.182 1.00 0.00 H new ATOM 0 HB2 HIS A 31 5.092 18.550 -9.124 1.00 0.00 H new ATOM 0 HB3 HIS A 31 5.147 18.622 -7.374 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.043 20.213 -10.473 1.00 0.00 H new ATOM 0 HE1 HIS A 31 7.891 22.538 -7.164 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.170 22.377 -9.685 1.00 0.00 H new ATOM 485 N ARG A 32 7.287 17.094 -5.956 1.00 0.00 N ATOM 486 CA ARG A 32 8.292 17.225 -4.875 1.00 0.00 C ATOM 487 C ARG A 32 9.233 16.037 -4.788 1.00 0.00 C ATOM 488 O ARG A 32 10.355 16.200 -4.358 1.00 0.00 O ATOM 489 CB ARG A 32 7.632 17.350 -3.471 1.00 0.00 C ATOM 490 CG ARG A 32 6.519 18.453 -3.414 1.00 0.00 C ATOM 491 CD ARG A 32 5.086 17.870 -3.598 1.00 0.00 C ATOM 492 NE ARG A 32 4.712 17.094 -2.372 1.00 0.00 N ATOM 493 CZ ARG A 32 3.466 16.748 -2.153 1.00 0.00 C ATOM 494 NH1 ARG A 32 2.537 17.077 -3.011 1.00 0.00 N ATOM 495 NH2 ARG A 32 3.183 16.075 -1.071 1.00 0.00 N ATOM 0 H ARG A 32 6.363 16.759 -5.685 1.00 0.00 H new ATOM 0 HA ARG A 32 8.843 18.128 -5.138 1.00 0.00 H new ATOM 0 HB2 ARG A 32 7.199 16.389 -3.192 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.401 17.579 -2.733 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.576 18.972 -2.457 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.708 19.195 -4.190 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.371 18.675 -3.766 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.052 17.225 -4.476 1.00 0.00 H new ATOM 0 HE ARG A 32 5.434 16.832 -1.701 1.00 0.00 H new ATOM 0 HH11 ARG A 32 2.781 17.603 -3.850 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.568 16.808 -2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.924 15.828 -0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 32 2.220 15.796 -0.881 1.00 0.00 H new ATOM 509 N GLY A 33 8.817 14.870 -5.175 1.00 0.00 N ATOM 510 CA GLY A 33 9.767 13.747 -5.055 1.00 0.00 C ATOM 511 C GLY A 33 8.885 12.508 -5.231 1.00 0.00 C ATOM 512 O GLY A 33 8.140 12.500 -6.192 1.00 0.00 O ATOM 0 H GLY A 33 7.896 14.651 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.545 13.797 -5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.268 13.748 -4.087 1.00 0.00 H new ATOM 516 N THR A 34 8.916 11.506 -4.384 1.00 0.00 N ATOM 517 CA THR A 34 8.036 10.339 -4.634 1.00 0.00 C ATOM 518 C THR A 34 7.336 10.066 -3.282 1.00 0.00 C ATOM 519 O THR A 34 7.784 10.639 -2.302 1.00 0.00 O ATOM 520 CB THR A 34 9.026 9.234 -5.154 1.00 0.00 C ATOM 521 OG1 THR A 34 8.327 8.035 -5.479 1.00 0.00 O ATOM 522 CG2 THR A 34 10.094 8.851 -4.085 1.00 0.00 C ATOM 0 H THR A 34 9.501 11.452 -3.550 1.00 0.00 H new ATOM 0 HA THR A 34 7.238 10.435 -5.371 1.00 0.00 H new ATOM 0 HB THR A 34 9.510 9.662 -6.032 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.409 8.253 -5.743 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.755 8.085 -4.490 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.679 9.733 -3.822 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.596 8.467 -3.194 1.00 0.00 H new ATOM 530 N ILE A 35 6.307 9.238 -3.271 1.00 0.00 N ATOM 531 CA ILE A 35 5.563 8.909 -2.022 1.00 0.00 C ATOM 532 C ILE A 35 5.301 7.377 -2.157 1.00 0.00 C ATOM 533 O ILE A 35 5.337 6.899 -3.282 1.00 0.00 O ATOM 534 CB ILE A 35 4.224 9.708 -1.996 1.00 0.00 C ATOM 535 CG1 ILE A 35 4.502 11.162 -2.497 1.00 0.00 C ATOM 536 CG2 ILE A 35 3.645 9.776 -0.564 1.00 0.00 C ATOM 537 CD1 ILE A 35 3.293 12.076 -2.225 1.00 0.00 C ATOM 0 H ILE A 35 5.950 8.769 -4.104 1.00 0.00 H new ATOM 0 HA ILE A 35 6.096 9.160 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 35 3.502 9.204 -2.638 1.00 0.00 H new ATOM 0 HG12 ILE A 35 5.385 11.561 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.720 11.148 -3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.712 10.339 -0.575 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.456 8.766 -0.200 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.359 10.271 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.510 13.083 -2.582 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.418 11.687 -2.746 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.094 12.106 -1.154 1.00 0.00 H new ATOM 549 N ILE A 36 5.046 6.697 -1.047 1.00 0.00 N ATOM 550 CA ILE A 36 4.781 5.215 -1.016 1.00 0.00 C ATOM 551 C ILE A 36 3.616 4.959 0.000 1.00 0.00 C ATOM 552 O ILE A 36 3.605 5.708 0.964 1.00 0.00 O ATOM 553 CB ILE A 36 6.027 4.440 -0.472 1.00 0.00 C ATOM 554 CG1 ILE A 36 7.395 5.060 -0.910 1.00 0.00 C ATOM 555 CG2 ILE A 36 6.007 2.964 -0.883 1.00 0.00 C ATOM 556 CD1 ILE A 36 7.877 6.101 0.115 1.00 0.00 C ATOM 0 H ILE A 36 5.011 7.134 -0.126 1.00 0.00 H new ATOM 0 HA ILE A 36 4.544 4.878 -2.025 1.00 0.00 H new ATOM 0 HB ILE A 36 5.948 4.527 0.612 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.141 4.271 -1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.290 5.528 -1.889 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.890 2.463 -0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.110 2.488 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.007 2.889 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 36 8.830 6.518 -0.211 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.140 6.900 0.196 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.003 5.623 1.087 1.00 0.00 H new ATOM 568 N GLU A 37 2.705 4.007 -0.170 1.00 0.00 N ATOM 569 CA GLU A 37 1.635 3.824 0.885 1.00 0.00 C ATOM 570 C GLU A 37 1.234 2.321 0.875 1.00 0.00 C ATOM 571 O GLU A 37 1.611 1.653 -0.075 1.00 0.00 O ATOM 572 CB GLU A 37 0.367 4.751 0.620 1.00 0.00 C ATOM 573 CG GLU A 37 -0.689 4.298 -0.392 1.00 0.00 C ATOM 574 CD GLU A 37 -1.725 5.441 -0.505 1.00 0.00 C ATOM 575 OE1 GLU A 37 -2.198 5.888 0.530 1.00 0.00 O ATOM 576 OE2 GLU A 37 -1.987 5.806 -1.639 1.00 0.00 O ATOM 0 H GLU A 37 2.657 3.370 -0.965 1.00 0.00 H new ATOM 0 HA GLU A 37 2.024 4.119 1.860 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.136 4.900 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.734 5.725 0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.233 4.094 -1.361 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.167 3.375 -0.064 1.00 0.00 H new ATOM 583 N ARG A 38 0.501 1.846 1.871 1.00 0.00 N ATOM 584 CA ARG A 38 0.051 0.395 1.995 1.00 0.00 C ATOM 585 C ARG A 38 -1.507 0.249 2.110 1.00 0.00 C ATOM 586 O ARG A 38 -2.123 1.240 2.448 1.00 0.00 O ATOM 587 CB ARG A 38 0.653 -0.249 3.285 1.00 0.00 C ATOM 588 CG ARG A 38 2.132 -0.787 3.189 1.00 0.00 C ATOM 589 CD ARG A 38 3.330 0.216 3.293 1.00 0.00 C ATOM 590 NE ARG A 38 4.550 -0.658 3.179 1.00 0.00 N ATOM 591 CZ ARG A 38 5.781 -0.235 3.338 1.00 0.00 C ATOM 592 NH1 ARG A 38 6.037 1.014 3.614 1.00 0.00 N ATOM 593 NH2 ARG A 38 6.741 -1.114 3.206 1.00 0.00 N ATOM 0 H ARG A 38 0.179 2.431 2.642 1.00 0.00 H new ATOM 0 HA ARG A 38 0.398 -0.101 1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.612 0.491 4.084 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.009 -1.077 3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.260 -1.530 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.227 -1.311 2.238 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.297 0.960 2.498 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.315 0.759 4.238 1.00 0.00 H new ATOM 0 HE ARG A 38 4.410 -1.645 2.964 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.272 1.682 3.710 1.00 0.00 H new ATOM 0 HH12 ARG A 38 7.002 1.322 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 38 6.517 -2.085 2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.713 -0.828 3.321 1.00 0.00 H new ATOM 607 N GLY A 39 -2.136 -0.896 1.862 1.00 0.00 N ATOM 608 CA GLY A 39 -3.642 -0.938 2.004 1.00 0.00 C ATOM 609 C GLY A 39 -4.294 -2.370 1.898 1.00 0.00 C ATOM 610 O GLY A 39 -3.557 -3.329 1.743 1.00 0.00 O ATOM 0 H GLY A 39 -1.690 -1.769 1.579 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.911 -0.506 2.968 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.080 -0.301 1.236 1.00 0.00 H new ATOM 614 N CYS A 40 -5.620 -2.472 1.968 1.00 0.00 N ATOM 615 CA CYS A 40 -6.372 -3.793 1.885 1.00 0.00 C ATOM 616 C CYS A 40 -7.003 -3.850 0.481 1.00 0.00 C ATOM 617 O CYS A 40 -7.449 -2.819 0.018 1.00 0.00 O ATOM 618 CB CYS A 40 -7.647 -3.937 2.865 1.00 0.00 C ATOM 619 SG CYS A 40 -7.594 -4.190 4.672 1.00 0.00 S ATOM 0 H CYS A 40 -6.232 -1.664 2.083 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.642 -4.560 2.144 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -8.238 -3.034 2.712 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.229 -4.769 2.469 1.00 0.00 H new ATOM 624 N GLY A 41 -7.057 -4.972 -0.188 1.00 0.00 N ATOM 625 CA GLY A 41 -7.694 -4.956 -1.543 1.00 0.00 C ATOM 626 C GLY A 41 -6.588 -5.046 -2.586 1.00 0.00 C ATOM 627 O GLY A 41 -5.458 -5.168 -2.161 1.00 0.00 O ATOM 0 H GLY A 41 -6.701 -5.873 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.386 -5.792 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.274 -4.043 -1.680 1.00 0.00 H new ATOM 631 N CYS A 42 -6.897 -4.997 -3.873 1.00 0.00 N ATOM 632 CA CYS A 42 -5.852 -5.078 -4.958 1.00 0.00 C ATOM 633 C CYS A 42 -6.377 -4.367 -6.254 1.00 0.00 C ATOM 634 O CYS A 42 -6.747 -5.063 -7.171 1.00 0.00 O ATOM 635 CB CYS A 42 -5.538 -6.598 -5.256 1.00 0.00 C ATOM 636 SG CYS A 42 -4.296 -7.149 -6.465 1.00 0.00 S ATOM 0 H CYS A 42 -7.851 -4.902 -4.221 1.00 0.00 H new ATOM 0 HA CYS A 42 -4.940 -4.577 -4.633 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -5.258 -7.046 -4.303 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -6.482 -7.053 -5.557 1.00 0.00 H new ATOM 641 N PRO A 43 -6.453 -3.052 -6.337 1.00 0.00 N ATOM 642 CA PRO A 43 -6.944 -2.323 -7.568 1.00 0.00 C ATOM 643 C PRO A 43 -5.995 -2.308 -8.821 1.00 0.00 C ATOM 644 O PRO A 43 -4.854 -2.704 -8.728 1.00 0.00 O ATOM 645 CB PRO A 43 -7.215 -0.892 -7.098 1.00 0.00 C ATOM 646 CG PRO A 43 -7.190 -0.979 -5.523 1.00 0.00 C ATOM 647 CD PRO A 43 -6.131 -2.100 -5.249 1.00 0.00 C ATOM 0 HA PRO A 43 -7.815 -2.860 -7.944 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.457 -0.203 -7.469 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.178 -0.532 -7.460 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.900 -0.031 -5.071 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.168 -1.240 -5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -5.108 -1.728 -5.313 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.246 -2.546 -4.261 1.00 0.00 H new ATOM 655 N THR A 44 -6.511 -1.825 -9.930 1.00 0.00 N ATOM 656 CA THR A 44 -5.773 -1.732 -11.224 1.00 0.00 C ATOM 657 C THR A 44 -4.504 -0.802 -11.264 1.00 0.00 C ATOM 658 O THR A 44 -4.316 0.034 -10.400 1.00 0.00 O ATOM 659 CB THR A 44 -6.891 -1.310 -12.195 1.00 0.00 C ATOM 660 OG1 THR A 44 -7.977 -2.149 -11.781 1.00 0.00 O ATOM 661 CG2 THR A 44 -6.595 -1.636 -13.686 1.00 0.00 C ATOM 0 H THR A 44 -7.467 -1.474 -9.986 1.00 0.00 H new ATOM 0 HA THR A 44 -5.286 -2.675 -11.472 1.00 0.00 H new ATOM 0 HB THR A 44 -7.051 -0.233 -12.155 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.763 -1.966 -12.338 1.00 0.00 H new ATOM 0 HG21 THR A 44 -7.431 -1.307 -14.303 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.688 -1.119 -13.998 1.00 0.00 H new ATOM 0 HG23 THR A 44 -6.458 -2.711 -13.803 1.00 0.00 H new ATOM 669 N VAL A 45 -3.716 -0.991 -12.309 1.00 0.00 N ATOM 670 CA VAL A 45 -2.443 -0.239 -12.563 1.00 0.00 C ATOM 671 C VAL A 45 -2.720 0.766 -13.708 1.00 0.00 C ATOM 672 O VAL A 45 -3.750 0.620 -14.337 1.00 0.00 O ATOM 673 CB VAL A 45 -1.360 -1.266 -13.015 1.00 0.00 C ATOM 674 CG1 VAL A 45 0.097 -0.838 -12.704 1.00 0.00 C ATOM 675 CG2 VAL A 45 -1.680 -2.700 -12.477 1.00 0.00 C ATOM 0 H VAL A 45 -3.924 -1.678 -13.033 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.099 0.289 -11.674 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.413 -1.290 -14.103 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.785 -1.609 -13.051 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.317 0.100 -13.213 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.215 -0.704 -11.629 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.907 -3.394 -12.809 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.708 -2.682 -11.388 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.648 -3.025 -12.860 1.00 0.00 H new ATOM 685 N LYS A 46 -1.825 1.709 -13.938 1.00 0.00 N ATOM 686 CA LYS A 46 -1.948 2.751 -15.015 1.00 0.00 C ATOM 687 C LYS A 46 -0.482 3.098 -15.315 1.00 0.00 C ATOM 688 O LYS A 46 0.313 2.972 -14.406 1.00 0.00 O ATOM 689 CB LYS A 46 -2.618 4.038 -14.521 1.00 0.00 C ATOM 690 CG LYS A 46 -4.168 3.944 -14.491 1.00 0.00 C ATOM 691 CD LYS A 46 -4.718 5.104 -13.622 1.00 0.00 C ATOM 692 CE LYS A 46 -6.215 5.315 -13.891 1.00 0.00 C ATOM 693 NZ LYS A 46 -6.792 6.228 -12.859 1.00 0.00 N ATOM 0 H LYS A 46 -0.969 1.799 -13.390 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.542 2.382 -15.851 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.254 4.269 -13.520 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.322 4.865 -15.166 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.570 4.006 -15.502 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.481 2.984 -14.081 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.560 4.882 -12.567 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -4.171 6.021 -13.840 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.359 5.738 -14.885 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.735 4.357 -13.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.806 6.367 -13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -6.669 5.808 -11.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.304 7.146 -12.896 1.00 0.00 H new ATOM 707 N PRO A 47 -0.121 3.521 -16.503 1.00 0.00 N ATOM 708 CA PRO A 47 1.289 3.857 -16.798 1.00 0.00 C ATOM 709 C PRO A 47 1.711 5.099 -16.042 1.00 0.00 C ATOM 710 O PRO A 47 1.070 6.119 -16.195 1.00 0.00 O ATOM 711 CB PRO A 47 1.366 4.077 -18.303 1.00 0.00 C ATOM 712 CG PRO A 47 -0.083 4.541 -18.672 1.00 0.00 C ATOM 713 CD PRO A 47 -0.998 3.727 -17.691 1.00 0.00 C ATOM 0 HA PRO A 47 1.963 3.060 -16.485 1.00 0.00 H new ATOM 0 HB2 PRO A 47 2.109 4.832 -18.562 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.643 3.164 -18.830 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.206 5.615 -18.535 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.320 4.323 -19.713 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.903 4.277 -17.433 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.315 2.780 -18.127 1.00 0.00 H new ATOM 721 N GLY A 48 2.745 5.004 -15.268 1.00 0.00 N ATOM 722 CA GLY A 48 3.166 6.206 -14.539 1.00 0.00 C ATOM 723 C GLY A 48 3.083 5.855 -13.077 1.00 0.00 C ATOM 724 O GLY A 48 3.758 6.466 -12.273 1.00 0.00 O ATOM 0 H GLY A 48 3.303 4.164 -15.114 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.181 6.494 -14.814 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.520 7.052 -14.775 1.00 0.00 H new ATOM 728 N ILE A 49 2.280 4.883 -12.746 1.00 0.00 N ATOM 729 CA ILE A 49 2.153 4.509 -11.318 1.00 0.00 C ATOM 730 C ILE A 49 2.694 3.078 -11.272 1.00 0.00 C ATOM 731 O ILE A 49 2.752 2.481 -12.331 1.00 0.00 O ATOM 732 CB ILE A 49 0.634 4.648 -11.014 1.00 0.00 C ATOM 733 CG1 ILE A 49 0.226 6.151 -11.126 1.00 0.00 C ATOM 734 CG2 ILE A 49 0.239 4.093 -9.637 1.00 0.00 C ATOM 735 CD1 ILE A 49 -1.300 6.280 -11.227 1.00 0.00 C ATOM 0 H ILE A 49 1.714 4.339 -13.397 1.00 0.00 H new ATOM 0 HA ILE A 49 2.691 5.103 -10.579 1.00 0.00 H new ATOM 0 HB ILE A 49 0.098 4.049 -11.750 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.588 6.699 -10.256 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.695 6.598 -12.002 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.833 4.221 -9.487 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.489 3.033 -9.587 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.781 4.631 -8.859 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.572 7.333 -11.305 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.652 5.748 -12.111 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.761 5.851 -10.337 1.00 0.00 H new ATOM 747 N LYS A 50 3.066 2.571 -10.110 1.00 0.00 N ATOM 748 CA LYS A 50 3.598 1.166 -10.011 1.00 0.00 C ATOM 749 C LYS A 50 2.761 0.543 -8.870 1.00 0.00 C ATOM 750 O LYS A 50 2.464 1.285 -7.947 1.00 0.00 O ATOM 751 CB LYS A 50 5.104 1.175 -9.619 1.00 0.00 C ATOM 752 CG LYS A 50 6.045 1.372 -10.868 1.00 0.00 C ATOM 753 CD LYS A 50 7.445 1.880 -10.405 1.00 0.00 C ATOM 754 CE LYS A 50 8.545 1.602 -11.458 1.00 0.00 C ATOM 755 NZ LYS A 50 9.013 0.189 -11.356 1.00 0.00 N ATOM 0 H LYS A 50 3.023 3.074 -9.224 1.00 0.00 H new ATOM 0 HA LYS A 50 3.524 0.620 -10.952 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.285 1.974 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.354 0.237 -9.123 1.00 0.00 H new ATOM 0 HG2 LYS A 50 6.150 0.430 -11.407 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.600 2.087 -11.560 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.394 2.951 -10.209 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.713 1.396 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.157 1.793 -12.459 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.383 2.282 -11.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.751 0.015 -12.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.402 0.020 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.213 -0.455 -11.523 1.00 0.00 H new ATOM 769 N LEU A 51 2.419 -0.737 -8.918 1.00 0.00 N ATOM 770 CA LEU A 51 1.588 -1.386 -7.831 1.00 0.00 C ATOM 771 C LEU A 51 2.098 -2.825 -7.612 1.00 0.00 C ATOM 772 O LEU A 51 2.821 -3.274 -8.481 1.00 0.00 O ATOM 773 CB LEU A 51 0.121 -1.462 -8.289 1.00 0.00 C ATOM 774 CG LEU A 51 -0.898 -1.444 -7.114 1.00 0.00 C ATOM 775 CD1 LEU A 51 -2.083 -0.534 -7.548 1.00 0.00 C ATOM 776 CD2 LEU A 51 -1.471 -2.874 -6.831 1.00 0.00 C ATOM 0 H LEU A 51 2.685 -1.367 -9.675 1.00 0.00 H new ATOM 0 HA LEU A 51 1.666 -0.804 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.088 -0.623 -8.953 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.023 -2.373 -8.870 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.400 -1.086 -6.213 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.823 -0.494 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.714 0.471 -7.751 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.543 -0.941 -8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.180 -2.825 -6.004 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.978 -3.246 -7.722 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.655 -3.548 -6.570 1.00 0.00 H new ATOM 788 N ASN A 52 1.744 -3.486 -6.519 1.00 0.00 N ATOM 789 CA ASN A 52 2.184 -4.919 -6.224 1.00 0.00 C ATOM 790 C ASN A 52 1.146 -5.529 -5.268 1.00 0.00 C ATOM 791 O ASN A 52 0.682 -4.738 -4.466 1.00 0.00 O ATOM 792 CB ASN A 52 3.526 -5.011 -5.499 1.00 0.00 C ATOM 793 CG ASN A 52 4.625 -5.315 -6.532 1.00 0.00 C ATOM 794 OD1 ASN A 52 4.869 -6.468 -6.834 1.00 0.00 O ATOM 795 ND2 ASN A 52 5.308 -4.359 -7.108 1.00 0.00 N ATOM 0 H ASN A 52 1.150 -3.084 -5.794 1.00 0.00 H new ATOM 0 HA ASN A 52 2.274 -5.430 -7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.741 -4.076 -4.982 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.493 -5.794 -4.741 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.027 -4.588 -7.794 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.121 -3.385 -6.871 1.00 0.00 H new ATOM 802 N CYS A 53 0.805 -6.813 -5.313 1.00 0.00 N ATOM 803 CA CYS A 53 -0.233 -7.409 -4.364 1.00 0.00 C ATOM 804 C CYS A 53 0.216 -8.759 -3.755 1.00 0.00 C ATOM 805 O CYS A 53 1.054 -9.392 -4.372 1.00 0.00 O ATOM 806 CB CYS A 53 -1.568 -7.740 -5.071 1.00 0.00 C ATOM 807 SG CYS A 53 -2.474 -6.434 -5.943 1.00 0.00 S ATOM 0 H CYS A 53 1.203 -7.482 -5.972 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.351 -6.637 -3.604 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.366 -8.533 -5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -2.240 -8.155 -4.320 1.00 0.00 H new ATOM 812 N CYS A 54 -0.324 -9.171 -2.616 1.00 0.00 N ATOM 813 CA CYS A 54 0.082 -10.485 -1.996 1.00 0.00 C ATOM 814 C CYS A 54 -1.179 -11.121 -1.392 1.00 0.00 C ATOM 815 O CYS A 54 -2.229 -10.489 -1.399 1.00 0.00 O ATOM 816 CB CYS A 54 1.076 -10.374 -0.800 1.00 0.00 C ATOM 817 SG CYS A 54 0.486 -9.818 0.823 1.00 0.00 S ATOM 0 H CYS A 54 -1.028 -8.651 -2.092 1.00 0.00 H new ATOM 0 HA CYS A 54 0.564 -11.048 -2.795 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.527 -11.357 -0.661 1.00 0.00 H new ATOM 0 HB3 CYS A 54 1.874 -9.697 -1.104 1.00 0.00 H new ATOM 822 N THR A 55 -1.024 -12.330 -0.899 1.00 0.00 N ATOM 823 CA THR A 55 -2.140 -13.067 -0.280 1.00 0.00 C ATOM 824 C THR A 55 -1.706 -13.616 1.110 1.00 0.00 C ATOM 825 O THR A 55 -2.525 -14.097 1.870 1.00 0.00 O ATOM 826 CB THR A 55 -2.496 -14.223 -1.223 1.00 0.00 C ATOM 827 OG1 THR A 55 -1.251 -14.907 -1.371 1.00 0.00 O ATOM 828 CG2 THR A 55 -2.782 -13.752 -2.673 1.00 0.00 C ATOM 0 H THR A 55 -0.139 -12.838 -0.908 1.00 0.00 H new ATOM 0 HA THR A 55 -3.002 -12.417 -0.128 1.00 0.00 H new ATOM 0 HB THR A 55 -3.356 -14.764 -0.827 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.370 -15.678 -1.964 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.028 -14.614 -3.294 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.620 -13.055 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.899 -13.256 -3.075 1.00 0.00 H new ATOM 836 N THR A 56 -0.449 -13.539 1.433 1.00 0.00 N ATOM 837 CA THR A 56 -0.067 -14.091 2.736 1.00 0.00 C ATOM 838 C THR A 56 -0.219 -13.058 3.859 1.00 0.00 C ATOM 839 O THR A 56 -0.330 -11.879 3.604 1.00 0.00 O ATOM 840 CB THR A 56 1.346 -14.576 2.444 1.00 0.00 C ATOM 841 OG1 THR A 56 1.814 -13.530 1.594 1.00 0.00 O ATOM 842 CG2 THR A 56 1.344 -15.799 1.471 1.00 0.00 C ATOM 0 H THR A 56 0.298 -13.133 0.870 1.00 0.00 H new ATOM 0 HA THR A 56 -0.693 -14.897 3.120 1.00 0.00 H new ATOM 0 HB THR A 56 1.884 -14.817 3.361 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.737 -13.716 1.324 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.370 -16.118 1.285 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.784 -16.620 1.919 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.877 -15.513 0.529 1.00 0.00 H new ATOM 850 N ASP A 57 -0.195 -13.519 5.077 1.00 0.00 N ATOM 851 CA ASP A 57 -0.356 -12.561 6.193 1.00 0.00 C ATOM 852 C ASP A 57 0.915 -11.786 6.462 1.00 0.00 C ATOM 853 O ASP A 57 1.985 -12.356 6.433 1.00 0.00 O ATOM 854 CB ASP A 57 -0.741 -13.315 7.471 1.00 0.00 C ATOM 855 CG ASP A 57 -2.146 -13.927 7.332 1.00 0.00 C ATOM 856 OD1 ASP A 57 -2.247 -14.970 6.705 1.00 0.00 O ATOM 857 OD2 ASP A 57 -3.045 -13.299 7.865 1.00 0.00 O ATOM 0 H ASP A 57 -0.073 -14.497 5.341 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.138 -11.858 5.905 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.013 -14.102 7.670 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.716 -12.635 8.323 1.00 0.00 H new ATOM 862 N LYS A 58 0.678 -10.528 6.730 1.00 0.00 N ATOM 863 CA LYS A 58 1.686 -9.470 7.045 1.00 0.00 C ATOM 864 C LYS A 58 2.894 -9.526 6.108 1.00 0.00 C ATOM 865 O LYS A 58 4.022 -9.540 6.558 1.00 0.00 O ATOM 866 CB LYS A 58 2.176 -9.624 8.519 1.00 0.00 C ATOM 867 CG LYS A 58 0.961 -9.918 9.496 1.00 0.00 C ATOM 868 CD LYS A 58 1.285 -9.457 10.956 1.00 0.00 C ATOM 869 CE LYS A 58 0.417 -10.207 12.010 1.00 0.00 C ATOM 870 NZ LYS A 58 -1.044 -10.094 11.728 1.00 0.00 N ATOM 0 H LYS A 58 -0.274 -10.161 6.743 1.00 0.00 H new ATOM 0 HA LYS A 58 1.195 -8.507 6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.902 -10.435 8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.687 -8.714 8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.070 -9.402 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.736 -10.984 9.490 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.340 -9.631 11.165 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.115 -8.384 11.044 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.701 -11.259 12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.625 -9.804 13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.581 -10.551 12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.310 -9.090 11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.261 -10.562 10.825 1.00 0.00 H new ATOM 884 N CYS A 59 2.617 -9.520 4.832 1.00 0.00 N ATOM 885 CA CYS A 59 3.701 -9.580 3.807 1.00 0.00 C ATOM 886 C CYS A 59 4.425 -8.265 3.639 1.00 0.00 C ATOM 887 O CYS A 59 5.565 -8.202 3.232 1.00 0.00 O ATOM 888 CB CYS A 59 3.163 -9.911 2.400 1.00 0.00 C ATOM 889 SG CYS A 59 1.995 -8.746 1.634 1.00 0.00 S ATOM 0 H CYS A 59 1.672 -9.475 4.450 1.00 0.00 H new ATOM 0 HA CYS A 59 4.366 -10.357 4.183 1.00 0.00 H new ATOM 0 HB2 CYS A 59 4.018 -10.014 1.732 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.678 -10.886 2.449 1.00 0.00 H new ATOM 894 N ASN A 60 3.735 -7.224 3.959 1.00 0.00 N ATOM 895 CA ASN A 60 4.341 -5.872 3.811 1.00 0.00 C ATOM 896 C ASN A 60 5.155 -5.415 4.972 1.00 0.00 C ATOM 897 O ASN A 60 5.702 -4.330 4.935 1.00 0.00 O ATOM 898 CB ASN A 60 3.246 -4.797 3.582 1.00 0.00 C ATOM 899 CG ASN A 60 1.883 -5.251 4.170 1.00 0.00 C ATOM 900 OD1 ASN A 60 1.828 -5.855 5.231 1.00 0.00 O ATOM 901 ND2 ASN A 60 0.768 -4.993 3.526 1.00 0.00 N ATOM 0 H ASN A 60 2.780 -7.240 4.316 1.00 0.00 H new ATOM 0 HA ASN A 60 5.005 -5.979 2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.551 -3.859 4.046 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.139 -4.605 2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.126 -5.296 3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.796 -4.490 2.639 1.00 0.00 H new ATOM 908 N ASN A 61 5.247 -6.227 5.972 1.00 0.00 N ATOM 909 CA ASN A 61 6.045 -5.801 7.166 1.00 0.00 C ATOM 910 C ASN A 61 7.526 -5.837 6.866 1.00 0.00 C ATOM 911 O ASN A 61 7.884 -6.619 6.003 1.00 0.00 O ATOM 912 CB ASN A 61 5.772 -6.742 8.326 1.00 0.00 C ATOM 913 CG ASN A 61 6.482 -6.230 9.584 1.00 0.00 C ATOM 914 OD1 ASN A 61 6.023 -5.300 10.216 1.00 0.00 O ATOM 915 ND2 ASN A 61 7.593 -6.786 9.993 1.00 0.00 N ATOM 916 OXT ASN A 61 8.247 -5.095 7.514 1.00 0.00 O ATOM 0 H ASN A 61 4.819 -7.151 6.028 1.00 0.00 H new ATOM 0 HA ASN A 61 5.752 -4.782 7.420 1.00 0.00 H new ATOM 0 HB2 ASN A 61 4.699 -6.812 8.505 1.00 0.00 H new ATOM 0 HB3 ASN A 61 6.121 -7.746 8.083 1.00 0.00 H new ATOM 0 HD21 ASN A 61 8.060 -6.437 10.830 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.993 -7.568 9.475 1.00 0.00 H new TER 923 ASN A 61