USER MOD reduce.3.24.130724 H: found=0, std=0, add=574, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 572 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 NoAdj-H: A 38 HIS HD1 : A 38 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 68 HIS HD1 : A 68 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 49 THR OG1 : rot 167:sc= 0 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 174:sc= -0.101 (180deg=-0.184) USER MOD Set 2.1: A 42 TYR OH : rot -147:sc= 0.136 USER MOD Set 2.2: A 56 HIS :FLIP no HD1:sc= -2.92! C(o=-3.6!,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 15:sc= 0.513! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 26:sc= 0.19 USER MOD Single : A 11 ASN : amide:sc= -0.0366 X(o=-0.037,f=0) USER MOD Single : A 13 GLN : amide:sc= -1.94! C(o=-1.9!,f=-3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -162:sc= -0.086 (180deg=-0.586) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -3.48! C(o=-4.2!,f=-3.5!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0456 USER MOD Single : A 50 ASN : amide:sc= -2.64 K(o=-2.6,f=-7.7!) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0173) USER MOD Single : A 53 GLN : amide:sc= -0.0392 K(o=-0.039,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= -0.116 X(o=-0.12,f=0.041) USER MOD Single : A 64 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.02) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 19:sc= 0.472 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.086 -4.371 34.957 1.00 0.00 N ATOM 2 CA GLY A 1 -19.215 -4.522 33.519 1.00 0.00 C ATOM 3 C GLY A 1 -19.153 -5.971 33.080 1.00 0.00 C ATOM 4 O GLY A 1 -18.085 -6.583 33.087 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.135 -3.362 35.206 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.858 -4.882 35.430 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.173 -4.760 35.266 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -20.161 -4.088 33.195 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.421 -3.962 33.025 1.00 0.00 H new ATOM 8 N SER A 2 -20.300 -6.522 32.698 1.00 0.00 N ATOM 9 CA SER A 2 -20.373 -7.911 32.259 1.00 0.00 C ATOM 10 C SER A 2 -21.292 -8.051 31.050 1.00 0.00 C ATOM 11 O SER A 2 -22.457 -7.656 31.093 1.00 0.00 O ATOM 12 CB SER A 2 -20.870 -8.803 33.398 1.00 0.00 C ATOM 13 OG SER A 2 -22.262 -8.636 33.606 1.00 0.00 O ATOM 0 H SER A 2 -21.192 -6.028 32.683 1.00 0.00 H new ATOM 0 HA SER A 2 -19.371 -8.228 31.970 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.656 -9.847 33.167 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.331 -8.563 34.314 1.00 0.00 H new ATOM 0 HG SER A 2 -22.654 -8.171 32.837 1.00 0.00 H new ATOM 19 N SER A 3 -20.759 -8.616 29.971 1.00 0.00 N ATOM 20 CA SER A 3 -21.529 -8.806 28.748 1.00 0.00 C ATOM 21 C SER A 3 -22.268 -10.140 28.772 1.00 0.00 C ATOM 22 O SER A 3 -22.118 -10.929 29.704 1.00 0.00 O ATOM 23 CB SER A 3 -20.610 -8.742 27.526 1.00 0.00 C ATOM 24 OG SER A 3 -21.322 -8.329 26.373 1.00 0.00 O ATOM 0 H SER A 3 -19.797 -8.950 29.919 1.00 0.00 H new ATOM 0 HA SER A 3 -22.264 -8.004 28.684 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.791 -8.049 27.719 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.164 -9.721 27.351 1.00 0.00 H new ATOM 0 HG SER A 3 -20.712 -8.295 25.607 1.00 0.00 H new ATOM 30 N GLY A 4 -23.069 -10.385 27.739 1.00 0.00 N ATOM 31 CA GLY A 4 -23.821 -11.624 27.661 1.00 0.00 C ATOM 32 C GLY A 4 -24.388 -11.872 26.278 1.00 0.00 C ATOM 33 O GLY A 4 -25.525 -12.322 26.137 1.00 0.00 O ATOM 0 H GLY A 4 -23.210 -9.748 26.955 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -23.174 -12.456 27.940 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.636 -11.597 28.385 1.00 0.00 H new ATOM 37 N SER A 5 -23.595 -11.576 25.253 1.00 0.00 N ATOM 38 CA SER A 5 -24.027 -11.764 23.873 1.00 0.00 C ATOM 39 C SER A 5 -23.470 -13.064 23.302 1.00 0.00 C ATOM 40 O SER A 5 -22.301 -13.394 23.504 1.00 0.00 O ATOM 41 CB SER A 5 -23.579 -10.582 23.011 1.00 0.00 C ATOM 42 OG SER A 5 -22.165 -10.492 22.963 1.00 0.00 O ATOM 0 H SER A 5 -22.650 -11.205 25.352 1.00 0.00 H new ATOM 0 HA SER A 5 -25.116 -11.820 23.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 -23.974 -10.694 22.001 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.992 -9.657 23.414 1.00 0.00 H new ATOM 0 HG SER A 5 -21.904 -9.730 22.405 1.00 0.00 H new ATOM 48 N SER A 6 -24.315 -13.799 22.587 1.00 0.00 N ATOM 49 CA SER A 6 -23.910 -15.066 21.989 1.00 0.00 C ATOM 50 C SER A 6 -24.699 -15.341 20.712 1.00 0.00 C ATOM 51 O SER A 6 -25.766 -14.769 20.493 1.00 0.00 O ATOM 52 CB SER A 6 -24.112 -16.211 22.983 1.00 0.00 C ATOM 53 OG SER A 6 -23.224 -17.282 22.714 1.00 0.00 O ATOM 0 H SER A 6 -25.285 -13.539 22.407 1.00 0.00 H new ATOM 0 HA SER A 6 -22.852 -14.998 21.734 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.952 -15.848 23.998 1.00 0.00 H new ATOM 0 HB3 SER A 6 -25.141 -16.566 22.930 1.00 0.00 H new ATOM 0 HG SER A 6 -23.372 -18.000 23.364 1.00 0.00 H new ATOM 59 N GLY A 7 -24.165 -16.222 19.872 1.00 0.00 N ATOM 60 CA GLY A 7 -24.831 -16.559 18.627 1.00 0.00 C ATOM 61 C GLY A 7 -24.392 -15.674 17.477 1.00 0.00 C ATOM 62 O GLY A 7 -24.252 -14.462 17.636 1.00 0.00 O ATOM 0 H GLY A 7 -23.283 -16.709 20.031 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.626 -17.600 18.379 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -25.909 -16.469 18.759 1.00 0.00 H new ATOM 66 N SER A 8 -24.172 -16.282 16.316 1.00 0.00 N ATOM 67 CA SER A 8 -23.741 -15.542 15.135 1.00 0.00 C ATOM 68 C SER A 8 -24.250 -16.208 13.861 1.00 0.00 C ATOM 69 O SER A 8 -24.171 -17.428 13.711 1.00 0.00 O ATOM 70 CB SER A 8 -22.214 -15.445 15.099 1.00 0.00 C ATOM 71 OG SER A 8 -21.755 -14.342 15.861 1.00 0.00 O ATOM 0 H SER A 8 -24.285 -17.285 16.167 1.00 0.00 H new ATOM 0 HA SER A 8 -24.161 -14.538 15.191 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.779 -16.366 15.488 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.877 -15.344 14.067 1.00 0.00 H new ATOM 0 HG SER A 8 -22.415 -14.125 16.552 1.00 0.00 H new ATOM 77 N ILE A 9 -24.772 -15.399 12.946 1.00 0.00 N ATOM 78 CA ILE A 9 -25.293 -15.908 11.684 1.00 0.00 C ATOM 79 C ILE A 9 -24.367 -15.557 10.524 1.00 0.00 C ATOM 80 O ILE A 9 -23.746 -14.495 10.512 1.00 0.00 O ATOM 81 CB ILE A 9 -26.699 -15.352 11.389 1.00 0.00 C ATOM 82 CG1 ILE A 9 -27.269 -15.992 10.122 1.00 0.00 C ATOM 83 CG2 ILE A 9 -26.651 -13.838 11.250 1.00 0.00 C ATOM 84 CD1 ILE A 9 -28.753 -15.761 9.944 1.00 0.00 C ATOM 0 H ILE A 9 -24.845 -14.388 13.055 1.00 0.00 H new ATOM 0 HA ILE A 9 -25.353 -16.992 11.783 1.00 0.00 H new ATOM 0 HB ILE A 9 -27.354 -15.600 12.224 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -26.741 -15.595 9.255 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -27.077 -17.065 10.148 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -27.652 -13.460 11.042 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -26.283 -13.399 12.177 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -25.984 -13.569 10.431 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -29.089 -16.243 9.026 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -29.291 -16.183 10.793 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -28.950 -14.691 9.885 1.00 0.00 H new ATOM 96 N GLY A 10 -24.280 -16.457 9.549 1.00 0.00 N ATOM 97 CA GLY A 10 -23.429 -16.223 8.398 1.00 0.00 C ATOM 98 C GLY A 10 -24.171 -15.564 7.252 1.00 0.00 C ATOM 99 O GLY A 10 -25.257 -16.001 6.874 1.00 0.00 O ATOM 0 H GLY A 10 -24.784 -17.344 9.536 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -22.589 -15.593 8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -23.012 -17.172 8.059 1.00 0.00 H new ATOM 103 N ASN A 11 -23.585 -14.507 6.699 1.00 0.00 N ATOM 104 CA ASN A 11 -24.199 -13.785 5.591 1.00 0.00 C ATOM 105 C ASN A 11 -23.371 -13.934 4.318 1.00 0.00 C ATOM 106 O ASN A 11 -22.162 -13.707 4.322 1.00 0.00 O ATOM 107 CB ASN A 11 -24.351 -12.303 5.943 1.00 0.00 C ATOM 108 CG ASN A 11 -24.932 -12.094 7.328 1.00 0.00 C ATOM 109 OD1 ASN A 11 -26.148 -11.994 7.494 1.00 0.00 O ATOM 110 ND2 ASN A 11 -24.063 -12.027 8.330 1.00 0.00 N ATOM 0 H ASN A 11 -22.686 -14.132 7.000 1.00 0.00 H new ATOM 0 HA ASN A 11 -25.185 -14.213 5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -23.377 -11.817 5.883 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -24.994 -11.821 5.206 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -24.395 -11.887 9.284 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -23.064 -12.115 8.145 1.00 0.00 H new ATOM 117 N ALA A 12 -24.032 -14.318 3.231 1.00 0.00 N ATOM 118 CA ALA A 12 -23.359 -14.496 1.951 1.00 0.00 C ATOM 119 C ALA A 12 -22.838 -13.166 1.415 1.00 0.00 C ATOM 120 O ALA A 12 -23.618 -12.286 1.051 1.00 0.00 O ATOM 121 CB ALA A 12 -24.300 -15.140 0.944 1.00 0.00 C ATOM 0 H ALA A 12 -25.033 -14.512 3.212 1.00 0.00 H new ATOM 0 HA ALA A 12 -22.505 -15.155 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -23.783 -15.267 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -24.620 -16.113 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -25.172 -14.502 0.801 1.00 0.00 H new ATOM 127 N GLN A 13 -21.517 -13.028 1.371 1.00 0.00 N ATOM 128 CA GLN A 13 -20.894 -11.804 0.881 1.00 0.00 C ATOM 129 C GLN A 13 -20.611 -11.898 -0.615 1.00 0.00 C ATOM 130 O GLN A 13 -19.972 -12.844 -1.078 1.00 0.00 O ATOM 131 CB GLN A 13 -19.595 -11.528 1.641 1.00 0.00 C ATOM 132 CG GLN A 13 -18.440 -12.420 1.215 1.00 0.00 C ATOM 133 CD GLN A 13 -18.720 -13.891 1.453 1.00 0.00 C ATOM 134 OE1 GLN A 13 -18.724 -14.357 2.593 1.00 0.00 O ATOM 135 NE2 GLN A 13 -18.955 -14.631 0.376 1.00 0.00 N ATOM 0 H GLN A 13 -20.858 -13.748 1.668 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.588 -10.981 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -19.312 -10.486 1.494 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -19.772 -11.662 2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.234 -12.260 0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.542 -12.132 1.762 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -18.942 -14.203 -0.550 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -19.149 -15.628 0.474 1.00 0.00 H new ATOM 144 N LYS A 14 -21.091 -10.913 -1.366 1.00 0.00 N ATOM 145 CA LYS A 14 -20.889 -10.883 -2.810 1.00 0.00 C ATOM 146 C LYS A 14 -19.945 -9.752 -3.204 1.00 0.00 C ATOM 147 O LYS A 14 -19.898 -9.346 -4.366 1.00 0.00 O ATOM 148 CB LYS A 14 -22.230 -10.717 -3.529 1.00 0.00 C ATOM 149 CG LYS A 14 -23.216 -9.837 -2.781 1.00 0.00 C ATOM 150 CD LYS A 14 -24.539 -9.728 -3.522 1.00 0.00 C ATOM 151 CE LYS A 14 -25.359 -8.547 -3.026 1.00 0.00 C ATOM 152 NZ LYS A 14 -26.820 -8.772 -3.208 1.00 0.00 N ATOM 0 H LYS A 14 -21.623 -10.124 -0.999 1.00 0.00 H new ATOM 0 HA LYS A 14 -20.438 -11.829 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -22.053 -10.292 -4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -22.676 -11.700 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -23.388 -10.246 -1.786 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -22.789 -8.843 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -24.351 -9.619 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -25.108 -10.648 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -25.147 -8.375 -1.971 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -25.060 -7.646 -3.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -27.345 -7.945 -2.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -27.027 -8.911 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -27.110 -9.617 -2.675 1.00 0.00 H new ATOM 166 N LEU A 15 -19.194 -9.248 -2.231 1.00 0.00 N ATOM 167 CA LEU A 15 -18.249 -8.164 -2.477 1.00 0.00 C ATOM 168 C LEU A 15 -16.928 -8.420 -1.759 1.00 0.00 C ATOM 169 O LEU A 15 -16.888 -8.968 -0.657 1.00 0.00 O ATOM 170 CB LEU A 15 -18.842 -6.831 -2.020 1.00 0.00 C ATOM 171 CG LEU A 15 -20.232 -6.492 -2.561 1.00 0.00 C ATOM 172 CD1 LEU A 15 -20.807 -5.284 -1.839 1.00 0.00 C ATOM 173 CD2 LEU A 15 -20.173 -6.242 -4.061 1.00 0.00 C ATOM 0 H LEU A 15 -19.221 -9.572 -1.264 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.055 -8.120 -3.549 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -18.888 -6.832 -0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -18.157 -6.034 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 15 -20.889 -7.343 -2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -21.796 -5.058 -2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -20.886 -5.500 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -20.152 -4.426 -1.987 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -21.170 -6.002 -4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.501 -5.409 -4.265 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.805 -7.136 -4.565 1.00 0.00 H new ATOM 185 N PRO A 16 -15.820 -8.011 -2.395 1.00 0.00 N ATOM 186 CA PRO A 16 -14.477 -8.183 -1.833 1.00 0.00 C ATOM 187 C PRO A 16 -14.234 -7.284 -0.626 1.00 0.00 C ATOM 188 O PRO A 16 -13.964 -6.092 -0.773 1.00 0.00 O ATOM 189 CB PRO A 16 -13.556 -7.786 -2.990 1.00 0.00 C ATOM 190 CG PRO A 16 -14.375 -6.865 -3.827 1.00 0.00 C ATOM 191 CD PRO A 16 -15.793 -7.350 -3.710 1.00 0.00 C ATOM 0 HA PRO A 16 -14.314 -9.197 -1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.654 -7.294 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.236 -8.659 -3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -14.284 -5.836 -3.478 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -14.042 -6.880 -4.865 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -16.505 -6.526 -3.760 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -16.049 -8.042 -4.513 1.00 0.00 H new ATOM 199 N MET A 17 -14.331 -7.863 0.566 1.00 0.00 N ATOM 200 CA MET A 17 -14.120 -7.113 1.799 1.00 0.00 C ATOM 201 C MET A 17 -12.721 -6.506 1.833 1.00 0.00 C ATOM 202 O MET A 17 -11.726 -7.201 1.623 1.00 0.00 O ATOM 203 CB MET A 17 -14.325 -8.019 3.014 1.00 0.00 C ATOM 204 CG MET A 17 -15.755 -8.031 3.529 1.00 0.00 C ATOM 205 SD MET A 17 -15.868 -8.552 5.252 1.00 0.00 S ATOM 206 CE MET A 17 -16.848 -7.222 5.943 1.00 0.00 C ATOM 0 H MET A 17 -14.554 -8.849 0.705 1.00 0.00 H new ATOM 0 HA MET A 17 -14.849 -6.304 1.832 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.033 -9.036 2.752 1.00 0.00 H new ATOM 0 HB3 MET A 17 -13.662 -7.694 3.815 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.183 -7.034 3.426 1.00 0.00 H new ATOM 0 HG3 MET A 17 -16.354 -8.700 2.911 1.00 0.00 H new ATOM 0 HE1 MET A 17 -16.741 -7.217 7.028 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.504 -6.269 5.540 1.00 0.00 H new ATOM 0 HE3 MET A 17 -17.896 -7.369 5.682 1.00 0.00 H new ATOM 216 N CYS A 18 -12.651 -5.205 2.097 1.00 0.00 N ATOM 217 CA CYS A 18 -11.375 -4.504 2.158 1.00 0.00 C ATOM 218 C CYS A 18 -10.424 -5.188 3.137 1.00 0.00 C ATOM 219 O CYS A 18 -10.852 -5.953 4.002 1.00 0.00 O ATOM 220 CB CYS A 18 -11.589 -3.046 2.572 1.00 0.00 C ATOM 221 SG CYS A 18 -10.101 -2.006 2.424 1.00 0.00 S ATOM 0 H CYS A 18 -13.464 -4.615 2.272 1.00 0.00 H new ATOM 0 HA CYS A 18 -10.927 -4.531 1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -12.381 -2.618 1.958 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.936 -3.020 3.605 1.00 0.00 H new ATOM 226 N ASP A 19 -9.134 -4.906 2.994 1.00 0.00 N ATOM 227 CA ASP A 19 -8.123 -5.492 3.866 1.00 0.00 C ATOM 228 C ASP A 19 -7.757 -4.534 4.995 1.00 0.00 C ATOM 229 O ASP A 19 -7.831 -4.888 6.172 1.00 0.00 O ATOM 230 CB ASP A 19 -6.872 -5.853 3.062 1.00 0.00 C ATOM 231 CG ASP A 19 -5.752 -6.379 3.938 1.00 0.00 C ATOM 232 OD1 ASP A 19 -6.047 -7.139 4.883 1.00 0.00 O ATOM 233 OD2 ASP A 19 -4.582 -6.029 3.678 1.00 0.00 O ATOM 0 H ASP A 19 -8.764 -4.276 2.283 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.539 -6.399 4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.128 -6.604 2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.524 -4.972 2.522 1.00 0.00 H new ATOM 238 N LYS A 20 -7.362 -3.319 4.629 1.00 0.00 N ATOM 239 CA LYS A 20 -6.985 -2.309 5.611 1.00 0.00 C ATOM 240 C LYS A 20 -8.058 -2.168 6.686 1.00 0.00 C ATOM 241 O LYS A 20 -7.806 -2.420 7.865 1.00 0.00 O ATOM 242 CB LYS A 20 -6.757 -0.961 4.923 1.00 0.00 C ATOM 243 CG LYS A 20 -6.342 0.146 5.877 1.00 0.00 C ATOM 244 CD LYS A 20 -7.538 0.962 6.339 1.00 0.00 C ATOM 245 CE LYS A 20 -7.104 2.188 7.127 1.00 0.00 C ATOM 246 NZ LYS A 20 -8.206 3.182 7.256 1.00 0.00 N ATOM 0 H LYS A 20 -7.295 -3.010 3.659 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.058 -2.629 6.088 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.988 -1.078 4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.673 -0.664 4.411 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.840 -0.287 6.742 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -5.622 0.800 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.124 1.273 5.474 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.187 0.341 6.957 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.772 1.883 8.119 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.251 2.654 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -7.871 4.003 7.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.506 3.492 6.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.011 2.746 7.749 1.00 0.00 H new ATOM 260 N CYS A 21 -9.255 -1.765 6.273 1.00 0.00 N ATOM 261 CA CYS A 21 -10.366 -1.592 7.200 1.00 0.00 C ATOM 262 C CYS A 21 -11.131 -2.900 7.383 1.00 0.00 C ATOM 263 O CYS A 21 -11.151 -3.471 8.472 1.00 0.00 O ATOM 264 CB CYS A 21 -11.313 -0.501 6.695 1.00 0.00 C ATOM 265 SG CYS A 21 -11.554 -0.503 4.889 1.00 0.00 S ATOM 0 H CYS A 21 -9.480 -1.552 5.301 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.958 -1.292 8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.281 -0.622 7.180 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.924 0.471 6.998 1.00 0.00 H new ATOM 270 N GLY A 22 -11.758 -3.368 6.309 1.00 0.00 N ATOM 271 CA GLY A 22 -12.515 -4.604 6.372 1.00 0.00 C ATOM 272 C GLY A 22 -13.992 -4.395 6.099 1.00 0.00 C ATOM 273 O GLY A 22 -14.843 -4.842 6.868 1.00 0.00 O ATOM 0 H GLY A 22 -11.755 -2.913 5.396 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.111 -5.311 5.647 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.391 -5.052 7.358 1.00 0.00 H new ATOM 277 N THR A 23 -14.298 -3.712 5.000 1.00 0.00 N ATOM 278 CA THR A 23 -15.681 -3.441 4.629 1.00 0.00 C ATOM 279 C THR A 23 -15.945 -3.820 3.177 1.00 0.00 C ATOM 280 O THR A 23 -15.186 -3.452 2.281 1.00 0.00 O ATOM 281 CB THR A 23 -16.038 -1.957 4.833 1.00 0.00 C ATOM 282 OG1 THR A 23 -15.196 -1.134 4.017 1.00 0.00 O ATOM 283 CG2 THR A 23 -15.882 -1.558 6.293 1.00 0.00 C ATOM 0 H THR A 23 -13.606 -3.336 4.351 1.00 0.00 H new ATOM 0 HA THR A 23 -16.307 -4.050 5.281 1.00 0.00 H new ATOM 0 HB THR A 23 -17.079 -1.814 4.542 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.430 -0.192 4.151 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.140 -0.506 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 23 -16.545 -2.166 6.909 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.850 -1.716 6.605 1.00 0.00 H new ATOM 291 N GLY A 24 -17.027 -4.559 2.950 1.00 0.00 N ATOM 292 CA GLY A 24 -17.372 -4.975 1.603 1.00 0.00 C ATOM 293 C GLY A 24 -17.210 -3.858 0.592 1.00 0.00 C ATOM 294 O GLY A 24 -18.003 -2.916 0.566 1.00 0.00 O ATOM 0 H GLY A 24 -17.671 -4.877 3.675 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.743 -5.817 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -18.403 -5.328 1.588 1.00 0.00 H new ATOM 298 N ILE A 25 -16.181 -3.961 -0.242 1.00 0.00 N ATOM 299 CA ILE A 25 -15.919 -2.950 -1.260 1.00 0.00 C ATOM 300 C ILE A 25 -17.036 -2.911 -2.297 1.00 0.00 C ATOM 301 O ILE A 25 -17.640 -3.936 -2.613 1.00 0.00 O ATOM 302 CB ILE A 25 -14.578 -3.205 -1.974 1.00 0.00 C ATOM 303 CG1 ILE A 25 -13.442 -3.304 -0.954 1.00 0.00 C ATOM 304 CG2 ILE A 25 -14.298 -2.102 -2.984 1.00 0.00 C ATOM 305 CD1 ILE A 25 -12.196 -3.964 -1.500 1.00 0.00 C ATOM 0 H ILE A 25 -15.515 -4.734 -0.233 1.00 0.00 H new ATOM 0 HA ILE A 25 -15.871 -1.990 -0.746 1.00 0.00 H new ATOM 0 HB ILE A 25 -14.642 -4.152 -2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -13.190 -2.303 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -13.791 -3.865 -0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -13.347 -2.296 -3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -15.096 -2.077 -3.726 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -14.250 -1.142 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -11.433 -4.000 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -12.433 -4.978 -1.823 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -11.823 -3.391 -2.349 1.00 0.00 H new ATOM 317 N VAL A 26 -17.304 -1.721 -2.826 1.00 0.00 N ATOM 318 CA VAL A 26 -18.346 -1.548 -3.830 1.00 0.00 C ATOM 319 C VAL A 26 -17.921 -0.546 -4.897 1.00 0.00 C ATOM 320 O VAL A 26 -17.520 0.575 -4.586 1.00 0.00 O ATOM 321 CB VAL A 26 -19.666 -1.075 -3.193 1.00 0.00 C ATOM 322 CG1 VAL A 26 -19.486 0.287 -2.541 1.00 0.00 C ATOM 323 CG2 VAL A 26 -20.775 -1.034 -4.234 1.00 0.00 C ATOM 0 H VAL A 26 -16.813 -0.863 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 26 -18.503 -2.522 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 26 -19.951 -1.787 -2.419 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -20.429 0.605 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -18.723 0.221 -1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -19.177 1.013 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -21.701 -0.698 -3.767 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -20.500 -0.344 -5.032 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -20.920 -2.031 -4.650 1.00 0.00 H new ATOM 333 N GLY A 27 -18.011 -0.957 -6.158 1.00 0.00 N ATOM 334 CA GLY A 27 -17.632 -0.083 -7.252 1.00 0.00 C ATOM 335 C GLY A 27 -16.133 -0.056 -7.481 1.00 0.00 C ATOM 336 O GLY A 27 -15.482 -1.100 -7.499 1.00 0.00 O ATOM 0 H GLY A 27 -18.340 -1.880 -6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -18.130 -0.411 -8.164 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -17.983 0.928 -7.044 1.00 0.00 H new ATOM 340 N VAL A 28 -15.585 1.142 -7.657 1.00 0.00 N ATOM 341 CA VAL A 28 -14.154 1.302 -7.886 1.00 0.00 C ATOM 342 C VAL A 28 -13.349 0.832 -6.680 1.00 0.00 C ATOM 343 O VAL A 28 -13.726 1.078 -5.534 1.00 0.00 O ATOM 344 CB VAL A 28 -13.794 2.768 -8.190 1.00 0.00 C ATOM 345 CG1 VAL A 28 -14.227 3.672 -7.047 1.00 0.00 C ATOM 346 CG2 VAL A 28 -12.302 2.906 -8.454 1.00 0.00 C ATOM 0 H VAL A 28 -16.110 2.016 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.901 0.688 -8.750 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.329 3.077 -9.088 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.964 4.704 -7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.306 3.594 -6.910 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -13.722 3.367 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.065 3.948 -8.667 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -11.745 2.580 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.025 2.289 -9.309 1.00 0.00 H new ATOM 356 N PHE A 29 -12.237 0.154 -6.946 1.00 0.00 N ATOM 357 CA PHE A 29 -11.377 -0.352 -5.882 1.00 0.00 C ATOM 358 C PHE A 29 -10.030 -0.802 -6.439 1.00 0.00 C ATOM 359 O PHE A 29 -9.899 -1.078 -7.632 1.00 0.00 O ATOM 360 CB PHE A 29 -12.057 -1.515 -5.158 1.00 0.00 C ATOM 361 CG PHE A 29 -12.278 -2.717 -6.031 1.00 0.00 C ATOM 362 CD1 PHE A 29 -11.212 -3.507 -6.429 1.00 0.00 C ATOM 363 CD2 PHE A 29 -13.553 -3.057 -6.454 1.00 0.00 C ATOM 364 CE1 PHE A 29 -11.412 -4.614 -7.232 1.00 0.00 C ATOM 365 CE2 PHE A 29 -13.760 -4.163 -7.256 1.00 0.00 C ATOM 366 CZ PHE A 29 -12.688 -4.942 -7.647 1.00 0.00 C ATOM 0 H PHE A 29 -11.910 -0.058 -7.889 1.00 0.00 H new ATOM 0 HA PHE A 29 -11.204 0.457 -5.173 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -11.449 -1.805 -4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -13.017 -1.178 -4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.212 -3.255 -6.108 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -14.395 -2.451 -6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -10.572 -5.222 -7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -14.759 -4.418 -7.577 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.847 -5.806 -8.276 1.00 0.00 H new ATOM 376 N VAL A 30 -9.029 -0.873 -5.566 1.00 0.00 N ATOM 377 CA VAL A 30 -7.692 -1.290 -5.970 1.00 0.00 C ATOM 378 C VAL A 30 -7.525 -2.800 -5.842 1.00 0.00 C ATOM 379 O VAL A 30 -7.345 -3.325 -4.744 1.00 0.00 O ATOM 380 CB VAL A 30 -6.608 -0.592 -5.126 1.00 0.00 C ATOM 381 CG1 VAL A 30 -5.225 -1.093 -5.513 1.00 0.00 C ATOM 382 CG2 VAL A 30 -6.700 0.918 -5.285 1.00 0.00 C ATOM 0 H VAL A 30 -9.119 -0.647 -4.575 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.572 -1.001 -7.014 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.776 -0.835 -4.077 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.473 -0.589 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.167 -2.168 -5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.043 -0.881 -6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.927 1.395 -4.682 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.558 1.183 -6.333 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.681 1.260 -4.954 1.00 0.00 H new ATOM 392 N LYS A 31 -7.585 -3.493 -6.974 1.00 0.00 N ATOM 393 CA LYS A 31 -7.439 -4.944 -6.991 1.00 0.00 C ATOM 394 C LYS A 31 -5.978 -5.346 -6.817 1.00 0.00 C ATOM 395 O LYS A 31 -5.166 -5.182 -7.728 1.00 0.00 O ATOM 396 CB LYS A 31 -7.984 -5.517 -8.302 1.00 0.00 C ATOM 397 CG LYS A 31 -8.316 -6.997 -8.227 1.00 0.00 C ATOM 398 CD LYS A 31 -7.082 -7.857 -8.441 1.00 0.00 C ATOM 399 CE LYS A 31 -7.359 -9.318 -8.122 1.00 0.00 C ATOM 400 NZ LYS A 31 -8.094 -9.997 -9.225 1.00 0.00 N ATOM 0 H LYS A 31 -7.734 -3.073 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.011 -5.351 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.881 -4.966 -8.585 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.250 -5.357 -9.092 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.754 -7.224 -7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.066 -7.241 -8.980 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.749 -7.766 -9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.270 -7.493 -7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.417 -9.835 -7.941 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.941 -9.385 -7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.264 -10.991 -8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.005 -9.519 -9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.528 -9.956 -10.096 1.00 0.00 H new ATOM 414 N LEU A 32 -5.651 -5.874 -5.643 1.00 0.00 N ATOM 415 CA LEU A 32 -4.287 -6.301 -5.350 1.00 0.00 C ATOM 416 C LEU A 32 -4.017 -7.690 -5.920 1.00 0.00 C ATOM 417 O LEU A 32 -4.943 -8.407 -6.298 1.00 0.00 O ATOM 418 CB LEU A 32 -4.045 -6.302 -3.839 1.00 0.00 C ATOM 419 CG LEU A 32 -3.755 -4.941 -3.205 1.00 0.00 C ATOM 420 CD1 LEU A 32 -3.635 -5.071 -1.695 1.00 0.00 C ATOM 421 CD2 LEU A 32 -2.487 -4.339 -3.793 1.00 0.00 C ATOM 0 H LEU A 32 -6.311 -6.017 -4.879 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.603 -5.595 -5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.922 -6.728 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.207 -6.966 -3.626 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.587 -4.273 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.429 -4.093 -1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.569 -5.459 -1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.822 -5.755 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.296 -3.371 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.646 -5.005 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.610 -4.210 -4.868 1.00 0.00 H new ATOM 433 N ARG A 33 -2.742 -8.063 -5.978 1.00 0.00 N ATOM 434 CA ARG A 33 -2.350 -9.366 -6.501 1.00 0.00 C ATOM 435 C ARG A 33 -3.420 -10.414 -6.207 1.00 0.00 C ATOM 436 O ARG A 33 -4.170 -10.815 -7.097 1.00 0.00 O ATOM 437 CB ARG A 33 -1.015 -9.801 -5.896 1.00 0.00 C ATOM 438 CG ARG A 33 -0.318 -10.898 -6.684 1.00 0.00 C ATOM 439 CD ARG A 33 0.880 -11.452 -5.928 1.00 0.00 C ATOM 440 NE ARG A 33 1.491 -12.582 -6.623 1.00 0.00 N ATOM 441 CZ ARG A 33 1.869 -13.701 -6.017 1.00 0.00 C ATOM 442 NH1 ARG A 33 1.699 -13.841 -4.709 1.00 0.00 N ATOM 443 NH2 ARG A 33 2.418 -14.685 -6.718 1.00 0.00 N ATOM 0 H ARG A 33 -1.963 -7.481 -5.669 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.240 -9.278 -7.582 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.355 -8.936 -5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.184 -10.149 -4.877 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -1.023 -11.703 -6.891 1.00 0.00 H new ATOM 0 HG3 ARG A 33 0.008 -10.505 -7.647 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.621 -10.664 -5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 33 0.567 -11.765 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 33 1.635 -12.507 -7.630 1.00 0.00 H new ATOM 0 HH11 ARG A 33 1.277 -13.088 -4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 33 1.990 -14.702 -4.246 1.00 0.00 H new ATOM 0 HH21 ARG A 33 2.550 -14.582 -7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 33 2.708 -15.544 -6.251 1.00 0.00 H new ATOM 457 N ASP A 34 -3.483 -10.852 -4.955 1.00 0.00 N ATOM 458 CA ASP A 34 -4.461 -11.853 -4.544 1.00 0.00 C ATOM 459 C ASP A 34 -5.405 -11.288 -3.487 1.00 0.00 C ATOM 460 O ASP A 34 -6.172 -12.025 -2.868 1.00 0.00 O ATOM 461 CB ASP A 34 -3.753 -13.096 -4.002 1.00 0.00 C ATOM 462 CG ASP A 34 -3.219 -12.891 -2.598 1.00 0.00 C ATOM 463 OD1 ASP A 34 -2.735 -11.778 -2.303 1.00 0.00 O ATOM 464 OD2 ASP A 34 -3.284 -13.845 -1.793 1.00 0.00 O ATOM 0 H ASP A 34 -2.869 -10.530 -4.207 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.049 -12.132 -5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.447 -13.936 -4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.930 -13.360 -4.666 1.00 0.00 H new ATOM 469 N ARG A 35 -5.342 -9.976 -3.285 1.00 0.00 N ATOM 470 CA ARG A 35 -6.189 -9.313 -2.301 1.00 0.00 C ATOM 471 C ARG A 35 -6.908 -8.118 -2.920 1.00 0.00 C ATOM 472 O ARG A 35 -6.660 -7.759 -4.072 1.00 0.00 O ATOM 473 CB ARG A 35 -5.355 -8.855 -1.104 1.00 0.00 C ATOM 474 CG ARG A 35 -4.845 -10.000 -0.243 1.00 0.00 C ATOM 475 CD ARG A 35 -5.862 -10.396 0.816 1.00 0.00 C ATOM 476 NE ARG A 35 -5.369 -11.470 1.674 1.00 0.00 N ATOM 477 CZ ARG A 35 -5.812 -11.688 2.907 1.00 0.00 C ATOM 478 NH1 ARG A 35 -6.753 -10.910 3.424 1.00 0.00 N ATOM 479 NH2 ARG A 35 -5.313 -12.686 3.625 1.00 0.00 N ATOM 0 H ARG A 35 -4.713 -9.351 -3.790 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.937 -10.030 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.505 -8.276 -1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.956 -8.188 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.622 -10.860 -0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.912 -9.707 0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.106 -9.527 1.427 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.785 -10.714 0.331 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.645 -12.087 1.306 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.138 -10.142 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -7.091 -11.080 4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.589 -13.286 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.653 -12.853 4.572 1.00 0.00 H new ATOM 493 N HIS A 36 -7.799 -7.504 -2.148 1.00 0.00 N ATOM 494 CA HIS A 36 -8.554 -6.349 -2.620 1.00 0.00 C ATOM 495 C HIS A 36 -8.572 -5.244 -1.569 1.00 0.00 C ATOM 496 O HIS A 36 -8.490 -5.514 -0.370 1.00 0.00 O ATOM 497 CB HIS A 36 -9.985 -6.758 -2.971 1.00 0.00 C ATOM 498 CG HIS A 36 -10.077 -7.643 -4.176 1.00 0.00 C ATOM 499 ND1 HIS A 36 -10.255 -7.343 -5.484 1.00 0.00 N flip ATOM 500 CD2 HIS A 36 -9.986 -9.018 -4.108 1.00 0.00 C flip ATOM 501 CE1 HIS A 36 -10.266 -8.529 -6.176 1.00 0.00 C flip ATOM 502 NE2 HIS A 36 -10.102 -9.524 -5.323 1.00 0.00 N flip ATOM 0 H HIS A 36 -8.016 -7.787 -1.192 1.00 0.00 H new ATOM 0 HA HIS A 36 -8.063 -5.966 -3.515 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.426 -7.273 -2.118 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -10.579 -5.860 -3.144 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -10.361 -6.410 -5.882 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -9.842 -9.591 -3.204 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.389 -8.632 -7.244 1.00 0.00 H new ATOM 511 N ARG A 37 -8.677 -4.001 -2.025 1.00 0.00 N ATOM 512 CA ARG A 37 -8.703 -2.855 -1.124 1.00 0.00 C ATOM 513 C ARG A 37 -9.416 -1.671 -1.770 1.00 0.00 C ATOM 514 O ARG A 37 -9.736 -1.699 -2.959 1.00 0.00 O ATOM 515 CB ARG A 37 -7.279 -2.455 -0.733 1.00 0.00 C ATOM 516 CG ARG A 37 -6.807 -3.079 0.571 1.00 0.00 C ATOM 517 CD ARG A 37 -5.887 -2.141 1.336 1.00 0.00 C ATOM 518 NE ARG A 37 -4.480 -2.486 1.155 1.00 0.00 N ATOM 519 CZ ARG A 37 -3.797 -2.228 0.045 1.00 0.00 C ATOM 520 NH1 ARG A 37 -4.390 -1.626 -0.977 1.00 0.00 N ATOM 521 NH2 ARG A 37 -2.519 -2.573 -0.044 1.00 0.00 N ATOM 0 H ARG A 37 -8.746 -3.761 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.252 -3.142 -0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -6.597 -2.745 -1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.226 -1.370 -0.647 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.669 -3.329 1.189 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.284 -4.012 0.361 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.055 -1.117 1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.135 -2.175 2.397 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.995 -2.950 1.923 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.373 -1.360 -0.912 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.864 -1.429 -1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.060 -3.037 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -1.995 -2.375 -0.897 1.00 0.00 H new ATOM 535 N HIS A 38 -9.663 -0.632 -0.978 1.00 0.00 N ATOM 536 CA HIS A 38 -10.339 0.562 -1.473 1.00 0.00 C ATOM 537 C HIS A 38 -9.340 1.532 -2.096 1.00 0.00 C ATOM 538 O HIS A 38 -8.133 1.448 -1.872 1.00 0.00 O ATOM 539 CB HIS A 38 -11.097 1.252 -0.338 1.00 0.00 C ATOM 540 CG HIS A 38 -12.422 0.624 -0.034 1.00 0.00 C ATOM 541 ND1 HIS A 38 -12.624 -0.234 1.026 1.00 0.00 N ATOM 542 CD2 HIS A 38 -13.618 0.735 -0.659 1.00 0.00 C ATOM 543 CE1 HIS A 38 -13.885 -0.625 1.040 1.00 0.00 C ATOM 544 NE2 HIS A 38 -14.511 -0.051 0.028 1.00 0.00 N ATOM 0 H HIS A 38 -9.405 -0.593 0.008 1.00 0.00 H new ATOM 0 HA HIS A 38 -11.049 0.256 -2.241 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -10.482 1.236 0.561 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -11.252 2.299 -0.599 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.830 1.331 -1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.329 -1.300 1.757 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -15.497 -0.172 -0.205 1.00 0.00 H new ATOM 552 N PRO A 39 -9.854 2.476 -2.899 1.00 0.00 N ATOM 553 CA PRO A 39 -9.024 3.480 -3.572 1.00 0.00 C ATOM 554 C PRO A 39 -8.434 4.492 -2.596 1.00 0.00 C ATOM 555 O PRO A 39 -7.570 5.289 -2.962 1.00 0.00 O ATOM 556 CB PRO A 39 -10.004 4.167 -4.527 1.00 0.00 C ATOM 557 CG PRO A 39 -11.342 3.970 -3.904 1.00 0.00 C ATOM 558 CD PRO A 39 -11.284 2.637 -3.211 1.00 0.00 C ATOM 0 HA PRO A 39 -8.165 3.031 -4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.771 5.226 -4.638 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.962 3.725 -5.523 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.564 4.768 -3.196 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -12.129 3.984 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.896 2.626 -2.309 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.648 1.835 -3.853 1.00 0.00 H new ATOM 566 N GLU A 40 -8.905 4.454 -1.354 1.00 0.00 N ATOM 567 CA GLU A 40 -8.422 5.369 -0.326 1.00 0.00 C ATOM 568 C GLU A 40 -7.720 4.608 0.795 1.00 0.00 C ATOM 569 O GLU A 40 -6.877 5.159 1.503 1.00 0.00 O ATOM 570 CB GLU A 40 -9.582 6.187 0.246 1.00 0.00 C ATOM 571 CG GLU A 40 -10.514 5.381 1.135 1.00 0.00 C ATOM 572 CD GLU A 40 -11.928 5.928 1.147 1.00 0.00 C ATOM 573 OE1 GLU A 40 -12.429 6.299 0.064 1.00 0.00 O ATOM 574 OE2 GLU A 40 -12.533 5.987 2.237 1.00 0.00 O ATOM 0 H GLU A 40 -9.620 3.800 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.703 6.045 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.179 7.022 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.156 6.613 -0.577 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.532 4.346 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.123 5.373 2.152 1.00 0.00 H new ATOM 581 N CYS A 41 -8.075 3.337 0.951 1.00 0.00 N ATOM 582 CA CYS A 41 -7.482 2.498 1.985 1.00 0.00 C ATOM 583 C CYS A 41 -6.159 1.903 1.511 1.00 0.00 C ATOM 584 O CYS A 41 -5.515 1.141 2.232 1.00 0.00 O ATOM 585 CB CYS A 41 -8.447 1.377 2.378 1.00 0.00 C ATOM 586 SG CYS A 41 -10.054 1.965 3.001 1.00 0.00 S ATOM 0 H CYS A 41 -8.771 2.865 0.374 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.287 3.123 2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.617 0.738 1.512 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.977 0.759 3.143 1.00 0.00 H new ATOM 591 N TYR A 42 -5.761 2.256 0.293 1.00 0.00 N ATOM 592 CA TYR A 42 -4.517 1.755 -0.279 1.00 0.00 C ATOM 593 C TYR A 42 -3.311 2.433 0.363 1.00 0.00 C ATOM 594 O TYR A 42 -2.207 2.408 -0.182 1.00 0.00 O ATOM 595 CB TYR A 42 -4.499 1.982 -1.791 1.00 0.00 C ATOM 596 CG TYR A 42 -3.170 1.660 -2.437 1.00 0.00 C ATOM 597 CD1 TYR A 42 -2.413 0.577 -2.009 1.00 0.00 C ATOM 598 CD2 TYR A 42 -2.672 2.440 -3.473 1.00 0.00 C ATOM 599 CE1 TYR A 42 -1.197 0.279 -2.594 1.00 0.00 C ATOM 600 CE2 TYR A 42 -1.459 2.148 -4.066 1.00 0.00 C ATOM 601 CZ TYR A 42 -0.725 1.068 -3.623 1.00 0.00 C ATOM 602 OH TYR A 42 0.485 0.775 -4.210 1.00 0.00 O ATOM 0 H TYR A 42 -6.282 2.887 -0.316 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.459 0.685 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -5.275 1.370 -2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -4.751 3.022 -1.997 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.781 -0.043 -1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -3.243 3.289 -3.821 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.620 -0.566 -2.248 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.087 2.763 -4.873 1.00 0.00 H new ATOM 0 HH TYR A 42 0.921 1.606 -4.493 1.00 0.00 H new ATOM 612 N VAL A 43 -3.530 3.040 1.525 1.00 0.00 N ATOM 613 CA VAL A 43 -2.461 3.724 2.244 1.00 0.00 C ATOM 614 C VAL A 43 -1.638 2.742 3.070 1.00 0.00 C ATOM 615 O VAL A 43 -2.104 1.652 3.404 1.00 0.00 O ATOM 616 CB VAL A 43 -3.021 4.817 3.173 1.00 0.00 C ATOM 617 CG1 VAL A 43 -3.739 5.888 2.366 1.00 0.00 C ATOM 618 CG2 VAL A 43 -3.950 4.208 4.212 1.00 0.00 C ATOM 0 H VAL A 43 -4.438 3.072 1.989 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.821 4.188 1.494 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.188 5.287 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -4.128 6.652 3.040 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.041 6.344 1.665 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.564 5.436 1.815 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.337 4.995 4.860 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.780 3.710 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.400 3.482 4.811 1.00 0.00 H new ATOM 628 N CYS A 44 -0.412 3.136 3.398 1.00 0.00 N ATOM 629 CA CYS A 44 0.477 2.291 4.186 1.00 0.00 C ATOM 630 C CYS A 44 -0.209 1.825 5.467 1.00 0.00 C ATOM 631 O CYS A 44 -1.214 2.396 5.891 1.00 0.00 O ATOM 632 CB CYS A 44 1.762 3.048 4.529 1.00 0.00 C ATOM 633 SG CYS A 44 2.938 2.096 5.543 1.00 0.00 S ATOM 0 H CYS A 44 -0.012 4.035 3.130 1.00 0.00 H new ATOM 0 HA CYS A 44 0.728 1.414 3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 44 2.254 3.345 3.603 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.501 3.964 5.059 1.00 0.00 H new ATOM 638 N THR A 45 0.342 0.781 6.080 1.00 0.00 N ATOM 639 CA THR A 45 -0.216 0.237 7.311 1.00 0.00 C ATOM 640 C THR A 45 0.475 0.826 8.536 1.00 0.00 C ATOM 641 O THR A 45 -0.160 1.068 9.562 1.00 0.00 O ATOM 642 CB THR A 45 -0.091 -1.298 7.354 1.00 0.00 C ATOM 643 OG1 THR A 45 -0.768 -1.876 6.232 1.00 0.00 O ATOM 644 CG2 THR A 45 -0.674 -1.853 8.645 1.00 0.00 C ATOM 0 H THR A 45 1.174 0.296 5.743 1.00 0.00 H new ATOM 0 HA THR A 45 -1.271 0.509 7.327 1.00 0.00 H new ATOM 0 HB THR A 45 0.967 -1.555 7.312 1.00 0.00 H new ATOM 0 HG1 THR A 45 -0.683 -2.852 6.265 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.574 -2.938 8.652 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.138 -1.434 9.496 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.728 -1.585 8.713 1.00 0.00 H new ATOM 652 N ASP A 46 1.778 1.055 8.421 1.00 0.00 N ATOM 653 CA ASP A 46 2.555 1.618 9.519 1.00 0.00 C ATOM 654 C ASP A 46 2.137 3.058 9.799 1.00 0.00 C ATOM 655 O ASP A 46 1.565 3.357 10.848 1.00 0.00 O ATOM 656 CB ASP A 46 4.049 1.561 9.196 1.00 0.00 C ATOM 657 CG ASP A 46 4.914 1.659 10.437 1.00 0.00 C ATOM 658 OD1 ASP A 46 4.450 1.240 11.518 1.00 0.00 O ATOM 659 OD2 ASP A 46 6.055 2.155 10.328 1.00 0.00 O ATOM 0 H ASP A 46 2.319 0.860 7.579 1.00 0.00 H new ATOM 0 HA ASP A 46 2.361 1.023 10.411 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.270 0.629 8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.302 2.374 8.515 1.00 0.00 H new ATOM 664 N CYS A 47 2.426 3.947 8.854 1.00 0.00 N ATOM 665 CA CYS A 47 2.081 5.356 8.999 1.00 0.00 C ATOM 666 C CYS A 47 0.677 5.630 8.468 1.00 0.00 C ATOM 667 O CYS A 47 -0.180 6.142 9.186 1.00 0.00 O ATOM 668 CB CYS A 47 3.097 6.229 8.259 1.00 0.00 C ATOM 669 SG CYS A 47 3.585 5.583 6.628 1.00 0.00 S ATOM 0 H CYS A 47 2.898 3.716 7.980 1.00 0.00 H new ATOM 0 HA CYS A 47 2.103 5.603 10.060 1.00 0.00 H new ATOM 0 HB2 CYS A 47 2.678 7.227 8.132 1.00 0.00 H new ATOM 0 HB3 CYS A 47 3.988 6.334 8.878 1.00 0.00 H new ATOM 674 N GLY A 48 0.450 5.283 7.204 1.00 0.00 N ATOM 675 CA GLY A 48 -0.851 5.499 6.598 1.00 0.00 C ATOM 676 C GLY A 48 -0.817 6.559 5.515 1.00 0.00 C ATOM 677 O GLY A 48 -1.643 7.473 5.504 1.00 0.00 O ATOM 0 H GLY A 48 1.144 4.857 6.590 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.211 4.562 6.174 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.563 5.794 7.369 1.00 0.00 H new ATOM 681 N THR A 49 0.141 6.440 4.602 1.00 0.00 N ATOM 682 CA THR A 49 0.281 7.397 3.512 1.00 0.00 C ATOM 683 C THR A 49 -0.123 6.776 2.180 1.00 0.00 C ATOM 684 O THR A 49 -0.017 5.565 1.991 1.00 0.00 O ATOM 685 CB THR A 49 1.726 7.919 3.404 1.00 0.00 C ATOM 686 OG1 THR A 49 1.775 9.052 2.530 1.00 0.00 O ATOM 687 CG2 THR A 49 2.657 6.832 2.886 1.00 0.00 C ATOM 0 H THR A 49 0.832 5.690 4.596 1.00 0.00 H new ATOM 0 HA THR A 49 -0.383 8.231 3.738 1.00 0.00 H new ATOM 0 HB THR A 49 2.056 8.215 4.400 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.640 9.503 2.627 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.672 7.224 2.818 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.641 5.983 3.569 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.326 6.509 1.899 1.00 0.00 H new ATOM 695 N ASN A 50 -0.587 7.614 1.258 1.00 0.00 N ATOM 696 CA ASN A 50 -1.007 7.146 -0.058 1.00 0.00 C ATOM 697 C ASN A 50 0.159 6.507 -0.806 1.00 0.00 C ATOM 698 O ASN A 50 1.183 7.148 -1.047 1.00 0.00 O ATOM 699 CB ASN A 50 -1.578 8.305 -0.876 1.00 0.00 C ATOM 700 CG ASN A 50 -2.329 7.831 -2.105 1.00 0.00 C ATOM 701 OD1 ASN A 50 -1.927 8.105 -3.236 1.00 0.00 O ATOM 702 ND2 ASN A 50 -3.427 7.116 -1.889 1.00 0.00 N ATOM 0 H ASN A 50 -0.682 8.620 1.398 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.782 6.393 0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.248 8.893 -0.249 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.766 8.965 -1.182 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.974 6.770 -2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -3.724 6.912 -0.935 1.00 0.00 H new ATOM 709 N LEU A 51 -0.004 5.240 -1.172 1.00 0.00 N ATOM 710 CA LEU A 51 1.035 4.513 -1.894 1.00 0.00 C ATOM 711 C LEU A 51 0.747 4.496 -3.392 1.00 0.00 C ATOM 712 O LEU A 51 1.311 3.693 -4.135 1.00 0.00 O ATOM 713 CB LEU A 51 1.142 3.081 -1.368 1.00 0.00 C ATOM 714 CG LEU A 51 1.214 2.928 0.152 1.00 0.00 C ATOM 715 CD1 LEU A 51 1.086 1.465 0.547 1.00 0.00 C ATOM 716 CD2 LEU A 51 2.512 3.515 0.686 1.00 0.00 C ATOM 0 H LEU A 51 -0.845 4.695 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 51 1.983 5.026 -1.731 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.282 2.517 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.030 2.621 -1.802 1.00 0.00 H new ATOM 0 HG LEU A 51 0.382 3.477 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.139 1.375 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.130 1.076 0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.897 0.894 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.546 3.397 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.358 2.995 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.563 4.574 0.434 1.00 0.00 H new ATOM 728 N LYS A 52 -0.133 5.390 -3.830 1.00 0.00 N ATOM 729 CA LYS A 52 -0.494 5.482 -5.240 1.00 0.00 C ATOM 730 C LYS A 52 0.747 5.650 -6.110 1.00 0.00 C ATOM 731 O LYS A 52 1.010 4.836 -6.994 1.00 0.00 O ATOM 732 CB LYS A 52 -1.452 6.654 -5.467 1.00 0.00 C ATOM 733 CG LYS A 52 -1.905 6.798 -6.909 1.00 0.00 C ATOM 734 CD LYS A 52 -2.908 5.722 -7.288 1.00 0.00 C ATOM 735 CE LYS A 52 -3.033 5.582 -8.797 1.00 0.00 C ATOM 736 NZ LYS A 52 -1.882 4.839 -9.382 1.00 0.00 N ATOM 0 H LYS A 52 -0.610 6.062 -3.228 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.991 4.554 -5.523 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.328 6.525 -4.831 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.964 7.577 -5.154 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.352 7.781 -7.054 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.041 6.740 -7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.601 4.769 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.882 5.965 -6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.961 5.063 -9.038 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.094 6.572 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.053 4.676 -10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.012 5.397 -9.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.776 3.925 -8.897 1.00 0.00 H new ATOM 750 N GLN A 53 1.507 6.710 -5.851 1.00 0.00 N ATOM 751 CA GLN A 53 2.721 6.983 -6.611 1.00 0.00 C ATOM 752 C GLN A 53 3.906 6.213 -6.038 1.00 0.00 C ATOM 753 O GLN A 53 4.562 5.446 -6.743 1.00 0.00 O ATOM 754 CB GLN A 53 3.022 8.482 -6.610 1.00 0.00 C ATOM 755 CG GLN A 53 2.191 9.271 -7.608 1.00 0.00 C ATOM 756 CD GLN A 53 2.740 10.662 -7.856 1.00 0.00 C ATOM 757 OE1 GLN A 53 3.919 10.927 -7.619 1.00 0.00 O ATOM 758 NE2 GLN A 53 1.887 11.559 -8.335 1.00 0.00 N ATOM 0 H GLN A 53 1.303 7.393 -5.121 1.00 0.00 H new ATOM 0 HA GLN A 53 2.559 6.653 -7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.846 8.879 -5.610 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.079 8.632 -6.831 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.151 8.727 -8.552 1.00 0.00 H new ATOM 0 HG3 GLN A 53 1.167 9.349 -7.241 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.919 11.296 -8.517 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.200 12.512 -8.521 1.00 0.00 H new ATOM 767 N LYS A 54 4.176 6.423 -4.754 1.00 0.00 N ATOM 768 CA LYS A 54 5.282 5.748 -4.084 1.00 0.00 C ATOM 769 C LYS A 54 5.216 4.241 -4.309 1.00 0.00 C ATOM 770 O LYS A 54 6.192 3.624 -4.733 1.00 0.00 O ATOM 771 CB LYS A 54 5.259 6.053 -2.585 1.00 0.00 C ATOM 772 CG LYS A 54 5.357 7.534 -2.264 1.00 0.00 C ATOM 773 CD LYS A 54 5.376 7.779 -0.764 1.00 0.00 C ATOM 774 CE LYS A 54 4.829 9.155 -0.417 1.00 0.00 C ATOM 775 NZ LYS A 54 4.779 9.378 1.055 1.00 0.00 N ATOM 0 H LYS A 54 3.644 7.055 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 54 6.214 6.120 -4.510 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.338 5.657 -2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.085 5.530 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.261 7.945 -2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.513 8.060 -2.709 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.784 7.014 -0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.397 7.688 -0.392 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.452 9.921 -0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.828 9.264 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.498 10.360 1.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.087 8.729 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.718 9.200 1.465 1.00 0.00 H new ATOM 789 N GLY A 55 4.058 3.654 -4.022 1.00 0.00 N ATOM 790 CA GLY A 55 3.886 2.224 -4.201 1.00 0.00 C ATOM 791 C GLY A 55 3.915 1.469 -2.887 1.00 0.00 C ATOM 792 O GLY A 55 4.395 1.983 -1.877 1.00 0.00 O ATOM 0 H GLY A 55 3.236 4.143 -3.669 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.938 2.035 -4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.674 1.845 -4.852 1.00 0.00 H new ATOM 796 N HIS A 56 3.398 0.244 -2.899 1.00 0.00 N ATOM 797 CA HIS A 56 3.365 -0.584 -1.699 1.00 0.00 C ATOM 798 C HIS A 56 4.220 -1.835 -1.878 1.00 0.00 C ATOM 799 O HIS A 56 4.446 -2.289 -3.000 1.00 0.00 O ATOM 800 CB HIS A 56 1.926 -0.979 -1.365 1.00 0.00 C ATOM 801 CG HIS A 56 1.529 -2.314 -1.915 1.00 0.00 C ATOM 802 ND1 HIS A 56 1.659 -3.558 -1.400 1.00 0.00 N flip ATOM 803 CD2 HIS A 56 0.918 -2.471 -3.142 1.00 0.00 C flip ATOM 804 CE1 HIS A 56 1.129 -4.435 -2.314 1.00 0.00 C flip ATOM 805 NE2 HIS A 56 0.689 -3.754 -3.356 1.00 0.00 N flip ATOM 0 H HIS A 56 2.996 -0.197 -3.727 1.00 0.00 H new ATOM 0 HA HIS A 56 3.774 -0.001 -0.874 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.803 -0.990 -0.282 1.00 0.00 H new ATOM 0 HB3 HIS A 56 1.249 -0.219 -1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.666 -1.670 -3.821 1.00 0.00 H new ATOM 0 HE1 HIS A 56 1.080 -5.508 -2.199 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.247 -4.151 -4.185 1.00 0.00 H new ATOM 814 N PHE A 57 4.693 -2.386 -0.765 1.00 0.00 N ATOM 815 CA PHE A 57 5.525 -3.584 -0.800 1.00 0.00 C ATOM 816 C PHE A 57 4.845 -4.739 -0.072 1.00 0.00 C ATOM 817 O PHE A 57 3.916 -4.535 0.710 1.00 0.00 O ATOM 818 CB PHE A 57 6.890 -3.301 -0.168 1.00 0.00 C ATOM 819 CG PHE A 57 7.855 -2.629 -1.103 1.00 0.00 C ATOM 820 CD1 PHE A 57 7.520 -1.440 -1.729 1.00 0.00 C ATOM 821 CD2 PHE A 57 9.098 -3.188 -1.355 1.00 0.00 C ATOM 822 CE1 PHE A 57 8.406 -0.820 -2.589 1.00 0.00 C ATOM 823 CE2 PHE A 57 9.988 -2.573 -2.214 1.00 0.00 C ATOM 824 CZ PHE A 57 9.642 -1.387 -2.832 1.00 0.00 C ATOM 0 H PHE A 57 4.515 -2.023 0.171 1.00 0.00 H new ATOM 0 HA PHE A 57 5.667 -3.868 -1.843 1.00 0.00 H new ATOM 0 HB2 PHE A 57 6.751 -2.672 0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 57 7.324 -4.240 0.176 1.00 0.00 H new ATOM 0 HD1 PHE A 57 6.555 -0.992 -1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 57 9.374 -4.115 -0.874 1.00 0.00 H new ATOM 0 HE1 PHE A 57 8.132 0.107 -3.071 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.953 -3.019 -2.402 1.00 0.00 H new ATOM 0 HZ PHE A 57 10.336 -0.904 -3.504 1.00 0.00 H new ATOM 834 N PHE A 58 5.313 -5.955 -0.336 1.00 0.00 N ATOM 835 CA PHE A 58 4.750 -7.144 0.292 1.00 0.00 C ATOM 836 C PHE A 58 5.681 -7.679 1.377 1.00 0.00 C ATOM 837 O PHE A 58 6.761 -8.191 1.086 1.00 0.00 O ATOM 838 CB PHE A 58 4.495 -8.228 -0.757 1.00 0.00 C ATOM 839 CG PHE A 58 3.169 -8.093 -1.449 1.00 0.00 C ATOM 840 CD1 PHE A 58 1.993 -8.048 -0.718 1.00 0.00 C ATOM 841 CD2 PHE A 58 3.099 -8.011 -2.830 1.00 0.00 C ATOM 842 CE1 PHE A 58 0.770 -7.923 -1.352 1.00 0.00 C ATOM 843 CE2 PHE A 58 1.880 -7.886 -3.469 1.00 0.00 C ATOM 844 CZ PHE A 58 0.714 -7.843 -2.729 1.00 0.00 C ATOM 0 H PHE A 58 6.081 -6.142 -0.981 1.00 0.00 H new ATOM 0 HA PHE A 58 3.803 -6.866 0.755 1.00 0.00 H new ATOM 0 HB2 PHE A 58 5.290 -8.195 -1.502 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.548 -9.206 -0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.032 -8.111 0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.007 -8.045 -3.414 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.140 -7.888 -0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.839 -7.822 -4.546 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.240 -7.747 -3.227 1.00 0.00 H new ATOM 854 N VAL A 59 5.253 -7.555 2.630 1.00 0.00 N ATOM 855 CA VAL A 59 6.046 -8.025 3.759 1.00 0.00 C ATOM 856 C VAL A 59 5.161 -8.658 4.826 1.00 0.00 C ATOM 857 O VAL A 59 4.294 -7.998 5.398 1.00 0.00 O ATOM 858 CB VAL A 59 6.856 -6.878 4.392 1.00 0.00 C ATOM 859 CG1 VAL A 59 7.664 -7.386 5.576 1.00 0.00 C ATOM 860 CG2 VAL A 59 7.762 -6.231 3.356 1.00 0.00 C ATOM 0 H VAL A 59 4.361 -7.133 2.888 1.00 0.00 H new ATOM 0 HA VAL A 59 6.735 -8.775 3.372 1.00 0.00 H new ATOM 0 HB VAL A 59 6.160 -6.122 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 59 8.230 -6.562 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.990 -7.799 6.326 1.00 0.00 H new ATOM 0 HG13 VAL A 59 8.352 -8.162 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.327 -5.423 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.453 -6.976 2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.157 -5.830 2.543 1.00 0.00 H new ATOM 870 N GLU A 60 5.387 -9.941 5.090 1.00 0.00 N ATOM 871 CA GLU A 60 4.609 -10.664 6.090 1.00 0.00 C ATOM 872 C GLU A 60 3.115 -10.569 5.789 1.00 0.00 C ATOM 873 O GLU A 60 2.302 -10.366 6.691 1.00 0.00 O ATOM 874 CB GLU A 60 4.895 -10.111 7.488 1.00 0.00 C ATOM 875 CG GLU A 60 6.347 -10.252 7.912 1.00 0.00 C ATOM 876 CD GLU A 60 6.605 -9.700 9.301 1.00 0.00 C ATOM 877 OE1 GLU A 60 5.947 -8.708 9.676 1.00 0.00 O ATOM 878 OE2 GLU A 60 7.465 -10.261 10.012 1.00 0.00 O ATOM 0 H GLU A 60 6.102 -10.501 4.626 1.00 0.00 H new ATOM 0 HA GLU A 60 4.904 -11.713 6.055 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.617 -9.057 7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.262 -10.627 8.210 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.629 -11.305 7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.983 -9.733 7.195 1.00 0.00 H new ATOM 885 N ASP A 61 2.763 -10.716 4.517 1.00 0.00 N ATOM 886 CA ASP A 61 1.369 -10.648 4.097 1.00 0.00 C ATOM 887 C ASP A 61 0.768 -9.285 4.427 1.00 0.00 C ATOM 888 O ASP A 61 -0.424 -9.176 4.716 1.00 0.00 O ATOM 889 CB ASP A 61 0.556 -11.755 4.770 1.00 0.00 C ATOM 890 CG ASP A 61 -0.789 -11.972 4.105 1.00 0.00 C ATOM 891 OD1 ASP A 61 -0.895 -11.723 2.886 1.00 0.00 O ATOM 892 OD2 ASP A 61 -1.736 -12.390 4.804 1.00 0.00 O ATOM 0 H ASP A 61 3.424 -10.883 3.759 1.00 0.00 H new ATOM 0 HA ASP A 61 1.334 -10.789 3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.124 -12.685 4.746 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.403 -11.502 5.819 1.00 0.00 H new ATOM 897 N GLN A 62 1.601 -8.250 4.384 1.00 0.00 N ATOM 898 CA GLN A 62 1.151 -6.896 4.681 1.00 0.00 C ATOM 899 C GLN A 62 1.638 -5.915 3.619 1.00 0.00 C ATOM 900 O GLN A 62 2.407 -6.281 2.729 1.00 0.00 O ATOM 901 CB GLN A 62 1.649 -6.461 6.060 1.00 0.00 C ATOM 902 CG GLN A 62 0.930 -7.147 7.211 1.00 0.00 C ATOM 903 CD GLN A 62 -0.520 -6.723 7.328 1.00 0.00 C ATOM 904 OE1 GLN A 62 -1.430 -7.476 6.977 1.00 0.00 O ATOM 905 NE2 GLN A 62 -0.745 -5.511 7.824 1.00 0.00 N ATOM 0 H GLN A 62 2.590 -8.324 4.147 1.00 0.00 H new ATOM 0 HA GLN A 62 0.061 -6.894 4.679 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.716 -6.669 6.134 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.527 -5.382 6.158 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.979 -8.227 7.073 1.00 0.00 H new ATOM 0 HG3 GLN A 62 1.447 -6.921 8.144 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.039 -4.920 8.102 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.701 -5.171 7.927 1.00 0.00 H new ATOM 914 N ILE A 63 1.185 -4.670 3.718 1.00 0.00 N ATOM 915 CA ILE A 63 1.576 -3.638 2.766 1.00 0.00 C ATOM 916 C ILE A 63 2.217 -2.450 3.476 1.00 0.00 C ATOM 917 O ILE A 63 1.765 -2.033 4.543 1.00 0.00 O ATOM 918 CB ILE A 63 0.370 -3.142 1.946 1.00 0.00 C ATOM 919 CG1 ILE A 63 -0.730 -2.628 2.877 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.159 -4.257 1.057 1.00 0.00 C ATOM 921 CD1 ILE A 63 -1.520 -1.475 2.298 1.00 0.00 C ATOM 0 H ILE A 63 0.547 -4.352 4.448 1.00 0.00 H new ATOM 0 HA ILE A 63 2.302 -4.090 2.091 1.00 0.00 H new ATOM 0 HB ILE A 63 0.695 -2.319 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.412 -3.446 3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.280 -2.313 3.819 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.011 -3.892 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.626 -4.581 0.374 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.472 -5.098 1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.282 -1.162 3.011 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.849 -0.640 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.999 -1.791 1.371 1.00 0.00 H new ATOM 933 N TYR A 64 3.270 -1.907 2.876 1.00 0.00 N ATOM 934 CA TYR A 64 3.974 -0.767 3.451 1.00 0.00 C ATOM 935 C TYR A 64 4.615 0.084 2.359 1.00 0.00 C ATOM 936 O TYR A 64 4.795 -0.368 1.228 1.00 0.00 O ATOM 937 CB TYR A 64 5.043 -1.244 4.435 1.00 0.00 C ATOM 938 CG TYR A 64 4.522 -2.214 5.472 1.00 0.00 C ATOM 939 CD1 TYR A 64 3.874 -1.759 6.613 1.00 0.00 C ATOM 940 CD2 TYR A 64 4.679 -3.584 5.310 1.00 0.00 C ATOM 941 CE1 TYR A 64 3.397 -2.641 7.563 1.00 0.00 C ATOM 942 CE2 TYR A 64 4.205 -4.474 6.254 1.00 0.00 C ATOM 943 CZ TYR A 64 3.564 -3.997 7.379 1.00 0.00 C ATOM 944 OH TYR A 64 3.091 -4.880 8.323 1.00 0.00 O ATOM 0 H TYR A 64 3.655 -2.238 1.991 1.00 0.00 H new ATOM 0 HA TYR A 64 3.247 -0.155 3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.851 -1.719 3.879 1.00 0.00 H new ATOM 0 HB3 TYR A 64 5.471 -0.379 4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.741 -0.697 6.760 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.180 -3.960 4.431 1.00 0.00 H new ATOM 0 HE1 TYR A 64 2.896 -2.270 8.445 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.335 -5.537 6.112 1.00 0.00 H new ATOM 0 HH TYR A 64 2.305 -4.496 8.765 1.00 0.00 H new ATOM 954 N CYS A 65 4.959 1.320 2.706 1.00 0.00 N ATOM 955 CA CYS A 65 5.581 2.236 1.758 1.00 0.00 C ATOM 956 C CYS A 65 7.067 1.929 1.600 1.00 0.00 C ATOM 957 O CYS A 65 7.740 1.557 2.561 1.00 0.00 O ATOM 958 CB CYS A 65 5.394 3.683 2.219 1.00 0.00 C ATOM 959 SG CYS A 65 5.959 4.001 3.921 1.00 0.00 S ATOM 0 H CYS A 65 4.817 1.710 3.638 1.00 0.00 H new ATOM 0 HA CYS A 65 5.096 2.104 0.791 1.00 0.00 H new ATOM 0 HB2 CYS A 65 5.934 4.342 1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.338 3.943 2.144 1.00 0.00 H new ATOM 964 N GLU A 66 7.572 2.089 0.381 1.00 0.00 N ATOM 965 CA GLU A 66 8.979 1.828 0.097 1.00 0.00 C ATOM 966 C GLU A 66 9.857 2.243 1.274 1.00 0.00 C ATOM 967 O GLU A 66 10.772 1.518 1.667 1.00 0.00 O ATOM 968 CB GLU A 66 9.414 2.575 -1.166 1.00 0.00 C ATOM 969 CG GLU A 66 10.900 2.457 -1.461 1.00 0.00 C ATOM 970 CD GLU A 66 11.290 3.123 -2.766 1.00 0.00 C ATOM 971 OE1 GLU A 66 11.264 4.370 -2.826 1.00 0.00 O ATOM 972 OE2 GLU A 66 11.621 2.397 -3.727 1.00 0.00 O ATOM 0 H GLU A 66 7.029 2.398 -0.425 1.00 0.00 H new ATOM 0 HA GLU A 66 9.099 0.757 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.852 2.191 -2.017 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.155 3.629 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.465 2.907 -0.645 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.177 1.403 -1.498 1.00 0.00 H new ATOM 979 N LYS A 67 9.573 3.414 1.832 1.00 0.00 N ATOM 980 CA LYS A 67 10.335 3.927 2.965 1.00 0.00 C ATOM 981 C LYS A 67 10.362 2.915 4.106 1.00 0.00 C ATOM 982 O LYS A 67 11.430 2.493 4.550 1.00 0.00 O ATOM 983 CB LYS A 67 9.735 5.247 3.454 1.00 0.00 C ATOM 984 CG LYS A 67 10.485 5.860 4.624 1.00 0.00 C ATOM 985 CD LYS A 67 9.564 6.687 5.505 1.00 0.00 C ATOM 986 CE LYS A 67 9.319 8.067 4.915 1.00 0.00 C ATOM 987 NZ LYS A 67 10.483 8.973 5.121 1.00 0.00 N ATOM 0 H LYS A 67 8.820 4.027 1.518 1.00 0.00 H new ATOM 0 HA LYS A 67 11.359 4.101 2.633 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.723 5.959 2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.698 5.079 3.746 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.944 5.069 5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.293 6.488 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.613 6.168 5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.002 6.787 6.498 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.115 7.975 3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.432 8.505 5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.239 9.931 4.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.726 9.001 6.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.297 8.621 4.579 1.00 0.00 H new ATOM 1001 N HIS A 68 9.180 2.529 4.576 1.00 0.00 N ATOM 1002 CA HIS A 68 9.069 1.564 5.664 1.00 0.00 C ATOM 1003 C HIS A 68 9.534 0.182 5.215 1.00 0.00 C ATOM 1004 O HIS A 68 10.408 -0.421 5.837 1.00 0.00 O ATOM 1005 CB HIS A 68 7.625 1.491 6.163 1.00 0.00 C ATOM 1006 CG HIS A 68 7.284 2.549 7.167 1.00 0.00 C ATOM 1007 ND1 HIS A 68 6.048 3.156 7.231 1.00 0.00 N ATOM 1008 CD2 HIS A 68 8.026 3.107 8.152 1.00 0.00 C ATOM 1009 CE1 HIS A 68 6.044 4.042 8.210 1.00 0.00 C ATOM 1010 NE2 HIS A 68 7.233 4.032 8.785 1.00 0.00 N ATOM 0 H HIS A 68 8.286 2.869 4.221 1.00 0.00 H new ATOM 0 HA HIS A 68 9.712 1.897 6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.950 1.579 5.312 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.452 0.511 6.607 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.051 2.869 8.395 1.00 0.00 H new ATOM 0 HE1 HIS A 68 5.211 4.668 8.492 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.516 4.616 9.572 1.00 0.00 H new ATOM 1018 N ALA A 69 8.944 -0.313 4.132 1.00 0.00 N ATOM 1019 CA ALA A 69 9.300 -1.622 3.600 1.00 0.00 C ATOM 1020 C ALA A 69 10.797 -1.880 3.730 1.00 0.00 C ATOM 1021 O ALA A 69 11.219 -2.806 4.423 1.00 0.00 O ATOM 1022 CB ALA A 69 8.868 -1.736 2.145 1.00 0.00 C ATOM 0 H ALA A 69 8.217 0.173 3.606 1.00 0.00 H new ATOM 0 HA ALA A 69 8.776 -2.378 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.140 -2.719 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.788 -1.605 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.366 -0.966 1.556 1.00 0.00 H new ATOM 1028 N ARG A 70 11.595 -1.056 3.059 1.00 0.00 N ATOM 1029 CA ARG A 70 13.046 -1.196 3.099 1.00 0.00 C ATOM 1030 C ARG A 70 13.530 -1.435 4.526 1.00 0.00 C ATOM 1031 O ARG A 70 14.353 -2.315 4.773 1.00 0.00 O ATOM 1032 CB ARG A 70 13.717 0.053 2.523 1.00 0.00 C ATOM 1033 CG ARG A 70 13.730 0.091 1.004 1.00 0.00 C ATOM 1034 CD ARG A 70 14.314 1.396 0.485 1.00 0.00 C ATOM 1035 NE ARG A 70 15.712 1.563 0.876 1.00 0.00 N ATOM 1036 CZ ARG A 70 16.390 2.694 0.714 1.00 0.00 C ATOM 1037 NH1 ARG A 70 15.802 3.752 0.172 1.00 0.00 N ATOM 1038 NH2 ARG A 70 17.659 2.768 1.094 1.00 0.00 N ATOM 0 H ARG A 70 11.261 -0.284 2.481 1.00 0.00 H new ATOM 0 HA ARG A 70 13.319 -2.059 2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.200 0.937 2.896 1.00 0.00 H new ATOM 0 HB3 ARG A 70 14.743 0.105 2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 70 14.313 -0.747 0.623 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.714 -0.030 0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 70 14.236 1.421 -0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.728 2.232 0.866 1.00 0.00 H new ATOM 0 HE ARG A 70 16.194 0.768 1.296 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.827 3.699 -0.122 1.00 0.00 H new ATOM 0 HH12 ARG A 70 16.325 4.619 0.049 1.00 0.00 H new ATOM 0 HH21 ARG A 70 18.115 1.956 1.511 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.179 3.637 0.969 1.00 0.00 H new ATOM 1052 N GLU A 71 13.014 -0.643 5.461 1.00 0.00 N ATOM 1053 CA GLU A 71 13.395 -0.768 6.863 1.00 0.00 C ATOM 1054 C GLU A 71 13.042 -2.152 7.401 1.00 0.00 C ATOM 1055 O GLU A 71 13.774 -2.718 8.214 1.00 0.00 O ATOM 1056 CB GLU A 71 12.702 0.309 7.701 1.00 0.00 C ATOM 1057 CG GLU A 71 13.150 1.722 7.367 1.00 0.00 C ATOM 1058 CD GLU A 71 12.992 2.675 8.535 1.00 0.00 C ATOM 1059 OE1 GLU A 71 13.262 2.259 9.681 1.00 0.00 O ATOM 1060 OE2 GLU A 71 12.598 3.838 8.303 1.00 0.00 O ATOM 0 H GLU A 71 12.332 0.091 5.273 1.00 0.00 H new ATOM 0 HA GLU A 71 14.474 -0.634 6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.625 0.234 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 71 12.894 0.116 8.756 1.00 0.00 H new ATOM 0 HG2 GLU A 71 14.195 1.704 7.056 1.00 0.00 H new ATOM 0 HG3 GLU A 71 12.572 2.092 6.520 1.00 0.00 H new ATOM 1067 N ARG A 72 11.917 -2.690 6.943 1.00 0.00 N ATOM 1068 CA ARG A 72 11.466 -4.006 7.379 1.00 0.00 C ATOM 1069 C ARG A 72 12.413 -5.096 6.886 1.00 0.00 C ATOM 1070 O ARG A 72 12.891 -5.918 7.667 1.00 0.00 O ATOM 1071 CB ARG A 72 10.049 -4.277 6.871 1.00 0.00 C ATOM 1072 CG ARG A 72 8.971 -3.538 7.646 1.00 0.00 C ATOM 1073 CD ARG A 72 7.620 -3.636 6.955 1.00 0.00 C ATOM 1074 NE ARG A 72 6.856 -4.794 7.411 1.00 0.00 N ATOM 1075 CZ ARG A 72 6.443 -4.956 8.663 1.00 0.00 C ATOM 1076 NH1 ARG A 72 6.719 -4.038 9.579 1.00 0.00 N ATOM 1077 NH2 ARG A 72 5.752 -6.037 9.000 1.00 0.00 N ATOM 0 H ARG A 72 11.301 -2.235 6.270 1.00 0.00 H new ATOM 0 HA ARG A 72 11.462 -4.019 8.469 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.988 -3.993 5.820 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.852 -5.348 6.923 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.897 -3.951 8.652 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.251 -2.490 7.752 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.049 -2.727 7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.768 -3.701 5.877 1.00 0.00 H new ATOM 0 HE ARG A 72 6.627 -5.518 6.730 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.249 -3.205 9.323 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.401 -4.164 10.540 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.537 -6.745 8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.435 -6.161 9.962 1.00 0.00 H new ATOM 1091 N VAL A 73 12.679 -5.097 5.583 1.00 0.00 N ATOM 1092 CA VAL A 73 13.568 -6.085 4.985 1.00 0.00 C ATOM 1093 C VAL A 73 15.014 -5.850 5.408 1.00 0.00 C ATOM 1094 O VAL A 73 15.818 -6.781 5.450 1.00 0.00 O ATOM 1095 CB VAL A 73 13.484 -6.059 3.448 1.00 0.00 C ATOM 1096 CG1 VAL A 73 13.825 -4.675 2.918 1.00 0.00 C ATOM 1097 CG2 VAL A 73 14.403 -7.111 2.846 1.00 0.00 C ATOM 0 H VAL A 73 12.291 -4.424 4.922 1.00 0.00 H new ATOM 0 HA VAL A 73 13.242 -7.062 5.342 1.00 0.00 H new ATOM 0 HB VAL A 73 12.461 -6.293 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 73 13.760 -4.676 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 73 13.122 -3.947 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 73 14.838 -4.409 3.221 1.00 0.00 H new ATOM 0 HG21 VAL A 73 14.331 -7.078 1.759 1.00 0.00 H new ATOM 0 HG22 VAL A 73 15.431 -6.911 3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 73 14.107 -8.098 3.200 1.00 0.00 H new ATOM 1107 N SER A 74 15.338 -4.600 5.721 1.00 0.00 N ATOM 1108 CA SER A 74 16.688 -4.241 6.138 1.00 0.00 C ATOM 1109 C SER A 74 16.805 -4.239 7.659 1.00 0.00 C ATOM 1110 O SER A 74 16.014 -3.601 8.353 1.00 0.00 O ATOM 1111 CB SER A 74 17.067 -2.866 5.584 1.00 0.00 C ATOM 1112 OG SER A 74 18.310 -2.431 6.107 1.00 0.00 O ATOM 0 H SER A 74 14.683 -3.818 5.694 1.00 0.00 H new ATOM 0 HA SER A 74 17.375 -4.988 5.740 1.00 0.00 H new ATOM 0 HB2 SER A 74 17.122 -2.911 4.496 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.291 -2.143 5.834 1.00 0.00 H new ATOM 0 HG SER A 74 18.531 -1.551 5.737 1.00 0.00 H new ATOM 1118 N GLY A 75 17.798 -4.959 8.171 1.00 0.00 N ATOM 1119 CA GLY A 75 18.001 -5.028 9.606 1.00 0.00 C ATOM 1120 C GLY A 75 19.228 -4.259 10.056 1.00 0.00 C ATOM 1121 O GLY A 75 20.105 -3.926 9.259 1.00 0.00 O ATOM 0 H GLY A 75 18.466 -5.496 7.618 1.00 0.00 H new ATOM 0 HA2 GLY A 75 17.121 -4.632 10.114 1.00 0.00 H new ATOM 0 HA3 GLY A 75 18.100 -6.071 9.906 1.00 0.00 H new ATOM 1125 N PRO A 76 19.300 -3.963 11.362 1.00 0.00 N ATOM 1126 CA PRO A 76 20.423 -3.224 11.946 1.00 0.00 C ATOM 1127 C PRO A 76 21.710 -4.041 11.960 1.00 0.00 C ATOM 1128 O PRO A 76 22.691 -3.661 12.600 1.00 0.00 O ATOM 1129 CB PRO A 76 19.955 -2.938 13.375 1.00 0.00 C ATOM 1130 CG PRO A 76 18.971 -4.016 13.674 1.00 0.00 C ATOM 1131 CD PRO A 76 18.290 -4.329 12.370 1.00 0.00 C ATOM 0 HA PRO A 76 20.662 -2.327 11.374 1.00 0.00 H new ATOM 0 HB2 PRO A 76 20.789 -2.958 14.076 1.00 0.00 H new ATOM 0 HB3 PRO A 76 19.497 -1.952 13.452 1.00 0.00 H new ATOM 0 HG2 PRO A 76 19.469 -4.898 14.076 1.00 0.00 H new ATOM 0 HG3 PRO A 76 18.249 -3.689 14.422 1.00 0.00 H new ATOM 0 HD2 PRO A 76 18.017 -5.382 12.302 1.00 0.00 H new ATOM 0 HD3 PRO A 76 17.373 -3.753 12.247 1.00 0.00 H new ATOM 1139 N SER A 77 21.701 -5.164 11.249 1.00 0.00 N ATOM 1140 CA SER A 77 22.867 -6.036 11.183 1.00 0.00 C ATOM 1141 C SER A 77 24.112 -5.249 10.786 1.00 0.00 C ATOM 1142 O SER A 77 24.112 -4.524 9.792 1.00 0.00 O ATOM 1143 CB SER A 77 22.627 -7.169 10.183 1.00 0.00 C ATOM 1144 OG SER A 77 22.659 -6.689 8.850 1.00 0.00 O ATOM 0 H SER A 77 20.899 -5.491 10.711 1.00 0.00 H new ATOM 0 HA SER A 77 23.027 -6.462 12.173 1.00 0.00 H new ATOM 0 HB2 SER A 77 23.386 -7.940 10.313 1.00 0.00 H new ATOM 0 HB3 SER A 77 21.662 -7.635 10.382 1.00 0.00 H new ATOM 0 HG SER A 77 23.109 -5.819 8.826 1.00 0.00 H new ATOM 1150 N SER A 78 25.174 -5.398 11.573 1.00 0.00 N ATOM 1151 CA SER A 78 26.425 -4.698 11.308 1.00 0.00 C ATOM 1152 C SER A 78 27.393 -5.590 10.535 1.00 0.00 C ATOM 1153 O SER A 78 27.186 -6.797 10.422 1.00 0.00 O ATOM 1154 CB SER A 78 27.069 -4.245 12.620 1.00 0.00 C ATOM 1155 OG SER A 78 26.314 -3.211 13.228 1.00 0.00 O ATOM 0 H SER A 78 25.192 -5.997 12.398 1.00 0.00 H new ATOM 0 HA SER A 78 26.200 -3.821 10.700 1.00 0.00 H new ATOM 0 HB2 SER A 78 27.147 -5.092 13.302 1.00 0.00 H new ATOM 0 HB3 SER A 78 28.083 -3.895 12.429 1.00 0.00 H new ATOM 0 HG SER A 78 26.745 -2.940 14.065 1.00 0.00 H new ATOM 1161 N GLY A 79 28.451 -4.984 10.005 1.00 0.00 N ATOM 1162 CA GLY A 79 29.435 -5.737 9.249 1.00 0.00 C ATOM 1163 C GLY A 79 28.889 -6.243 7.929 1.00 0.00 C ATOM 1164 O GLY A 79 28.418 -5.438 7.127 1.00 0.00 O ATOM 0 H GLY A 79 28.644 -3.986 10.086 1.00 0.00 H new ATOM 0 HA2 GLY A 79 30.304 -5.107 9.061 1.00 0.00 H new ATOM 0 HA3 GLY A 79 29.777 -6.583 9.845 1.00 0.00 H new TER 1168 GLY A 79 HETATM 1169 ZN ZN A 201 -11.321 -0.024 2.633 1.00 0.00 ZN HETATM 1170 ZN ZN A 401 4.650 3.648 5.833 1.00 0.00 ZN