USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 833 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: B 49 THR OG1 : rot -94:sc= 0.0109 USER MOD Set 1.2: B 51 THR OG1 : rot 58:sc= 0.793 USER MOD Set 2.1: B 44 THR OG1 : rot 56:sc= 1.66 USER MOD Set 2.2: B 53 THR OG1 : rot 99:sc= 1.73 USER MOD Set 3.1: A 49 THR OG1 : rot -96:sc= 0.0123 USER MOD Set 3.2: A 51 THR OG1 : rot 58:sc= 0.792 USER MOD Set 4.1: A 44 THR OG1 : rot 59:sc= 1.77 USER MOD Set 4.2: A 53 THR OG1 : rot 90:sc= 1.74 USER MOD Single : A 2 GLN : amide:sc= -2.32 K(o=-2.3,f=-10!) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.369 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -0.873 F(o=-3.1,f=-0.87) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 40:sc= -2.01 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= 0.172 (180deg=-0.312) USER MOD Single : A 16 THR OG1 : rot 160:sc= -4.94! USER MOD Single : A 17 THR OG1 : rot 30:sc= 0.366 USER MOD Single : A 18 THR OG1 : rot 31:sc= 0.643 USER MOD Single : A 25 THR OG1 : rot -35:sc= -0.147! USER MOD Single : A 28 LYS NZ :NH3+ -167:sc= -0.0334 (180deg=-0.238) USER MOD Single : A 31 LYS NZ :NH3+ -132:sc= 0.147 (180deg=-0.126) USER MOD Single : A 32 GLN : amide:sc= -7.89! C(o=-7.9!,f=-9.9!) USER MOD Single : A 35 ASN : amide:sc= -3.98! C(o=-4!,f=-4.1!) USER MOD Single : A 37 ASN : amide:sc= -6.22! C(o=-6.2!,f=-8.3!) USER MOD Single : A 45 TYR OH : rot 53:sc= -0.991 USER MOD Single : A 50 LYS NZ :NH3+ 153:sc= -2.59 (180deg=-4.52!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -156:sc= -0.971 (180deg=-1.63) USER MOD Single : B 1 MET N :NH3+ -149:sc= 1.24 (180deg=0.165) USER MOD Single : B 2 GLN : amide:sc= -2.3 K(o=-2.3,f=-10!) USER MOD Single : B 3 TYR OH : rot 180:sc= -0.368 USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 8 ASN :FLIP amide:sc= -0.871 F(o=-3.1,f=-0.87) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot -140:sc= -2.01 USER MOD Single : B 13 LYS NZ :NH3+ 157:sc= 0.162 (180deg=-0.306) USER MOD Single : B 16 THR OG1 : rot 170:sc= -4.89! USER MOD Single : B 17 THR OG1 : rot 31:sc= 0.377 USER MOD Single : B 18 THR OG1 : rot 31:sc= 0.644 USER MOD Single : B 25 THR OG1 : rot -32:sc= -0.167! USER MOD Single : B 28 LYS NZ :NH3+ -167:sc= -0.0337 (180deg=-0.235) USER MOD Single : B 31 LYS NZ :NH3+ -132:sc= 0.148 (180deg=-0.129) USER MOD Single : B 32 GLN : amide:sc= -7.64! C(o=-7.6!,f=-9.9!) USER MOD Single : B 35 ASN : amide:sc= -3.99! C(o=-4!,f=-4.1!) USER MOD Single : B 37 ASN : amide:sc= -6.14! C(o=-6.1!,f=-8.2!) USER MOD Single : B 45 TYR OH : rot 54:sc= -1.01 USER MOD Single : B 50 LYS NZ :NH3+ 150:sc= -2.53 (180deg=-4.44!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 7.030 -15.834 0.930 1.00 0.00 N ATOM 21 CA GLN A 2 7.087 -14.379 1.012 1.00 0.00 C ATOM 22 C GLN A 2 6.916 -13.764 -0.372 1.00 0.00 C ATOM 23 O GLN A 2 7.556 -14.191 -1.333 1.00 0.00 O ATOM 24 CB GLN A 2 8.416 -13.931 1.623 1.00 0.00 C ATOM 25 CG GLN A 2 8.551 -12.422 1.752 1.00 0.00 C ATOM 26 CD GLN A 2 7.494 -11.817 2.655 1.00 0.00 C ATOM 27 OE1 GLN A 2 6.297 -11.939 2.397 1.00 0.00 O ATOM 28 NE2 GLN A 2 7.933 -11.157 3.721 1.00 0.00 N ATOM 0 HA GLN A 2 6.274 -14.037 1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 2 8.523 -14.382 2.609 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.234 -14.309 1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.539 -12.182 2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.481 -11.969 0.763 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.935 -11.080 3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.268 -10.727 4.364 1.00 0.00 H new ATOM 37 N TYR A 3 6.051 -12.761 -0.471 1.00 0.00 N ATOM 38 CA TYR A 3 5.801 -12.097 -1.743 1.00 0.00 C ATOM 39 C TYR A 3 5.982 -10.590 -1.612 1.00 0.00 C ATOM 40 O TYR A 3 5.651 -10.004 -0.582 1.00 0.00 O ATOM 41 CB TYR A 3 4.391 -12.415 -2.241 1.00 0.00 C ATOM 42 CG TYR A 3 4.155 -13.887 -2.481 1.00 0.00 C ATOM 43 CD1 TYR A 3 3.713 -14.715 -1.458 1.00 0.00 C ATOM 44 CD2 TYR A 3 4.377 -14.451 -3.732 1.00 0.00 C ATOM 45 CE1 TYR A 3 3.497 -16.064 -1.674 1.00 0.00 C ATOM 46 CE2 TYR A 3 4.164 -15.798 -3.955 1.00 0.00 C ATOM 47 CZ TYR A 3 3.725 -16.599 -2.924 1.00 0.00 C ATOM 48 OH TYR A 3 3.511 -17.941 -3.143 1.00 0.00 O ATOM 0 H TYR A 3 5.513 -12.391 0.313 1.00 0.00 H new ATOM 0 HA TYR A 3 6.524 -12.469 -2.468 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.666 -12.053 -1.512 1.00 0.00 H new ATOM 0 HB3 TYR A 3 4.210 -11.870 -3.168 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.535 -14.299 -0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 3 4.722 -13.826 -4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 3 3.152 -16.695 -0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 3 4.341 -16.221 -4.933 1.00 0.00 H new ATOM 0 HH TYR A 3 3.717 -18.157 -4.076 1.00 0.00 H new ATOM 58 N LYS A 4 6.508 -9.970 -2.660 1.00 0.00 N ATOM 59 CA LYS A 4 6.730 -8.530 -2.655 1.00 0.00 C ATOM 60 C LYS A 4 5.694 -7.822 -3.521 1.00 0.00 C ATOM 61 O LYS A 4 5.710 -7.939 -4.745 1.00 0.00 O ATOM 62 CB LYS A 4 8.140 -8.203 -3.153 1.00 0.00 C ATOM 63 CG LYS A 4 8.454 -6.716 -3.153 1.00 0.00 C ATOM 64 CD LYS A 4 9.872 -6.442 -3.631 1.00 0.00 C ATOM 65 CE LYS A 4 10.904 -7.095 -2.724 1.00 0.00 C ATOM 66 NZ LYS A 4 12.296 -6.809 -3.168 1.00 0.00 N ATOM 0 H LYS A 4 6.788 -10.439 -3.521 1.00 0.00 H new ATOM 0 HA LYS A 4 6.628 -8.175 -1.629 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.867 -8.720 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 4 8.258 -8.591 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.746 -6.194 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.325 -6.317 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.992 -6.815 -4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.044 -5.366 -3.664 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.768 -6.737 -1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.743 -8.173 -2.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.968 -7.272 -2.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 12.434 -7.173 -4.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 12.459 -5.782 -3.159 1.00 0.00 H new ATOM 80 N VAL A 5 4.795 -7.088 -2.876 1.00 0.00 N ATOM 81 CA VAL A 5 3.758 -6.363 -3.591 1.00 0.00 C ATOM 82 C VAL A 5 4.181 -4.918 -3.839 1.00 0.00 C ATOM 83 O VAL A 5 4.559 -4.195 -2.919 1.00 0.00 O ATOM 84 CB VAL A 5 2.415 -6.396 -2.831 1.00 0.00 C ATOM 85 CG1 VAL A 5 1.333 -5.666 -3.612 1.00 0.00 C ATOM 86 CG2 VAL A 5 1.998 -7.831 -2.550 1.00 0.00 C ATOM 0 H VAL A 5 4.765 -6.981 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 5 3.617 -6.861 -4.550 1.00 0.00 H new ATOM 0 HB VAL A 5 2.549 -5.883 -1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.396 -5.703 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.628 -4.627 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 5 1.199 -6.145 -4.582 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.049 -7.836 -2.014 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.885 -8.368 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.760 -8.319 -1.943 1.00 0.00 H new ATOM 96 N ILE A 6 4.111 -4.517 -5.098 1.00 0.00 N ATOM 97 CA ILE A 6 4.478 -3.171 -5.512 1.00 0.00 C ATOM 98 C ILE A 6 3.234 -2.320 -5.732 1.00 0.00 C ATOM 99 O ILE A 6 2.324 -2.709 -6.462 1.00 0.00 O ATOM 100 CB ILE A 6 5.321 -3.200 -6.801 1.00 0.00 C ATOM 101 CG1 ILE A 6 6.652 -3.909 -6.549 1.00 0.00 C ATOM 102 CG2 ILE A 6 5.557 -1.792 -7.324 1.00 0.00 C ATOM 103 CD1 ILE A 6 7.532 -4.002 -7.777 1.00 0.00 C ATOM 0 H ILE A 6 3.798 -5.115 -5.863 1.00 0.00 H new ATOM 0 HA ILE A 6 5.075 -2.730 -4.714 1.00 0.00 H new ATOM 0 HB ILE A 6 4.769 -3.755 -7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.193 -3.380 -5.764 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.454 -4.914 -6.178 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.154 -1.837 -8.235 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.599 -1.319 -7.542 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.087 -1.208 -6.571 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.458 -4.517 -7.523 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.011 -4.557 -8.557 1.00 0.00 H new ATOM 0 HD13 ILE A 6 7.761 -2.999 -8.137 1.00 0.00 H new ATOM 115 N LEU A 7 3.197 -1.162 -5.086 1.00 0.00 N ATOM 116 CA LEU A 7 2.057 -0.263 -5.200 1.00 0.00 C ATOM 117 C LEU A 7 2.418 0.948 -6.062 1.00 0.00 C ATOM 118 O LEU A 7 2.817 1.993 -5.548 1.00 0.00 O ATOM 119 CB LEU A 7 1.618 0.176 -3.799 1.00 0.00 C ATOM 120 CG LEU A 7 1.662 -0.926 -2.741 1.00 0.00 C ATOM 121 CD1 LEU A 7 1.113 -0.418 -1.417 1.00 0.00 C ATOM 122 CD2 LEU A 7 0.892 -2.148 -3.217 1.00 0.00 C ATOM 0 H LEU A 7 3.943 -0.824 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 7 1.230 -0.783 -5.684 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.256 0.998 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.601 0.565 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 7 2.701 -1.218 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.152 -1.217 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.713 0.425 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.080 -0.098 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.933 -2.924 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.147 -1.874 -3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.338 -2.523 -4.138 1.00 0.00 H new ATOM 134 N ASN A 8 2.290 0.790 -7.380 1.00 0.00 N ATOM 135 CA ASN A 8 2.619 1.860 -8.320 1.00 0.00 C ATOM 136 C ASN A 8 1.418 2.744 -8.631 1.00 0.00 C ATOM 137 O ASN A 8 0.548 2.379 -9.416 1.00 0.00 O ATOM 138 CB ASN A 8 3.181 1.285 -9.622 1.00 0.00 C ATOM 139 CG ASN A 8 4.499 0.566 -9.424 1.00 0.00 C ATOM 140 OD1 ASN A 8 4.556 -0.688 -9.853 1.00 0.00 O flip ATOM 141 ND2 ASN A 8 5.458 1.135 -8.902 1.00 0.00 N flip ATOM 0 H ASN A 8 1.961 -0.069 -7.820 1.00 0.00 H new ATOM 0 HA ASN A 8 3.376 2.478 -7.837 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.456 0.594 -10.052 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.317 2.092 -10.342 1.00 0.00 H new ATOM 0 HD21 ASN A 8 5.368 2.101 -8.587 1.00 0.00 H new ATOM 0 HD22 ASN A 8 6.342 0.640 -8.785 1.00 0.00 H new ATOM 148 N GLY A 9 1.392 3.919 -8.020 1.00 0.00 N ATOM 149 CA GLY A 9 0.311 4.861 -8.243 1.00 0.00 C ATOM 150 C GLY A 9 0.797 6.177 -8.814 1.00 0.00 C ATOM 151 O GLY A 9 1.934 6.583 -8.579 1.00 0.00 O ATOM 0 H GLY A 9 2.107 4.241 -7.367 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.416 4.420 -8.924 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.206 5.046 -7.301 1.00 0.00 H new ATOM 155 N LYS A 10 -0.071 6.843 -9.563 1.00 0.00 N ATOM 156 CA LYS A 10 0.255 8.126 -10.175 1.00 0.00 C ATOM 157 C LYS A 10 0.938 9.069 -9.182 1.00 0.00 C ATOM 158 O LYS A 10 2.049 9.542 -9.423 1.00 0.00 O ATOM 159 CB LYS A 10 -1.024 8.778 -10.700 1.00 0.00 C ATOM 160 CG LYS A 10 -1.738 7.958 -11.764 1.00 0.00 C ATOM 161 CD LYS A 10 -3.149 8.469 -12.010 1.00 0.00 C ATOM 162 CE LYS A 10 -3.156 9.941 -12.382 1.00 0.00 C ATOM 163 NZ LYS A 10 -4.534 10.445 -12.629 1.00 0.00 N ATOM 0 H LYS A 10 -1.015 6.513 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 10 0.949 7.942 -10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.705 8.945 -9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.779 9.757 -11.112 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.170 7.994 -12.694 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.777 6.914 -11.454 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.612 7.890 -12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.752 8.317 -11.115 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.696 10.520 -11.581 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.549 10.093 -13.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.495 11.453 -12.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.964 9.910 -13.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.107 10.324 -11.770 1.00 0.00 H new ATOM 177 N THR A 11 0.253 9.350 -8.077 1.00 0.00 N ATOM 178 CA THR A 11 0.762 10.248 -7.052 1.00 0.00 C ATOM 179 C THR A 11 1.397 9.488 -5.894 1.00 0.00 C ATOM 180 O THR A 11 1.970 10.094 -4.989 1.00 0.00 O ATOM 181 CB THR A 11 -0.375 11.117 -6.528 1.00 0.00 C ATOM 182 OG1 THR A 11 -1.553 10.349 -6.373 1.00 0.00 O ATOM 183 CG2 THR A 11 -0.699 12.295 -7.422 1.00 0.00 C ATOM 0 H THR A 11 -0.667 8.962 -7.870 1.00 0.00 H new ATOM 0 HA THR A 11 1.534 10.869 -7.506 1.00 0.00 H new ATOM 0 HB THR A 11 -0.026 11.506 -5.571 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.324 9.467 -6.012 1.00 0.00 H new ATOM 0 HG21 THR A 11 -1.517 12.868 -6.986 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.180 12.932 -7.517 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.993 11.934 -8.407 1.00 0.00 H new ATOM 191 N LEU A 12 1.293 8.166 -5.916 1.00 0.00 N ATOM 192 CA LEU A 12 1.860 7.351 -4.853 1.00 0.00 C ATOM 193 C LEU A 12 2.620 6.162 -5.422 1.00 0.00 C ATOM 194 O LEU A 12 2.145 5.496 -6.329 1.00 0.00 O ATOM 195 CB LEU A 12 0.752 6.879 -3.907 1.00 0.00 C ATOM 196 CG LEU A 12 1.224 6.031 -2.735 1.00 0.00 C ATOM 197 CD1 LEU A 12 2.435 6.675 -2.089 1.00 0.00 C ATOM 198 CD2 LEU A 12 0.104 5.851 -1.722 1.00 0.00 C ATOM 0 H LEU A 12 0.825 7.639 -6.653 1.00 0.00 H new ATOM 0 HA LEU A 12 2.568 7.961 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.231 7.754 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.025 6.305 -4.481 1.00 0.00 H new ATOM 0 HG LEU A 12 1.507 5.045 -3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.768 6.063 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.238 6.756 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.170 7.669 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.460 5.242 -0.891 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.210 6.826 -1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.742 5.356 -2.199 1.00 0.00 H new ATOM 210 N LYS A 13 3.804 5.902 -4.880 1.00 0.00 N ATOM 211 CA LYS A 13 4.629 4.785 -5.340 1.00 0.00 C ATOM 212 C LYS A 13 5.395 4.166 -4.174 1.00 0.00 C ATOM 213 O LYS A 13 5.818 4.872 -3.261 1.00 0.00 O ATOM 214 CB LYS A 13 5.604 5.256 -6.420 1.00 0.00 C ATOM 215 CG LYS A 13 4.917 5.841 -7.642 1.00 0.00 C ATOM 216 CD LYS A 13 5.925 6.301 -8.682 1.00 0.00 C ATOM 217 CE LYS A 13 5.237 6.885 -9.905 1.00 0.00 C ATOM 218 NZ LYS A 13 4.388 8.059 -9.558 1.00 0.00 N ATOM 0 H LYS A 13 4.216 6.447 -4.123 1.00 0.00 H new ATOM 0 HA LYS A 13 3.973 4.025 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.271 6.005 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.225 4.415 -6.730 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.255 5.094 -8.081 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.293 6.683 -7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.586 7.049 -8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.550 5.460 -8.982 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.988 7.184 -10.636 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.621 6.118 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.242 8.644 -10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.468 7.729 -9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.861 8.625 -8.824 1.00 0.00 H new ATOM 232 N GLY A 14 5.576 2.849 -4.208 1.00 0.00 N ATOM 233 CA GLY A 14 6.298 2.185 -3.140 1.00 0.00 C ATOM 234 C GLY A 14 6.413 0.685 -3.332 1.00 0.00 C ATOM 235 O GLY A 14 6.108 0.159 -4.403 1.00 0.00 O ATOM 0 H GLY A 14 5.239 2.235 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.298 2.612 -3.067 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.796 2.385 -2.193 1.00 0.00 H new ATOM 239 N GLU A 15 6.853 -0.001 -2.281 1.00 0.00 N ATOM 240 CA GLU A 15 7.012 -1.450 -2.315 1.00 0.00 C ATOM 241 C GLU A 15 6.640 -2.059 -0.967 1.00 0.00 C ATOM 242 O GLU A 15 6.921 -1.484 0.084 1.00 0.00 O ATOM 243 CB GLU A 15 8.452 -1.821 -2.681 1.00 0.00 C ATOM 244 CG GLU A 15 8.884 -1.307 -4.044 1.00 0.00 C ATOM 245 CD GLU A 15 10.312 -1.687 -4.392 1.00 0.00 C ATOM 246 OE1 GLU A 15 10.968 -2.354 -3.563 1.00 0.00 O ATOM 247 OE2 GLU A 15 10.772 -1.318 -5.493 1.00 0.00 O ATOM 0 H GLU A 15 7.107 0.427 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 15 6.343 -1.851 -3.076 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.125 -1.423 -1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.555 -2.906 -2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.212 -1.702 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.787 -0.222 -4.065 1.00 0.00 H new ATOM 254 N THR A 16 5.995 -3.218 -1.009 1.00 0.00 N ATOM 255 CA THR A 16 5.569 -3.904 0.205 1.00 0.00 C ATOM 256 C THR A 16 5.720 -5.418 0.064 1.00 0.00 C ATOM 257 O THR A 16 5.983 -5.919 -1.026 1.00 0.00 O ATOM 258 CB THR A 16 4.122 -3.522 0.537 1.00 0.00 C ATOM 259 OG1 THR A 16 3.539 -4.481 1.381 1.00 0.00 O ATOM 260 CG2 THR A 16 3.236 -3.374 -0.681 1.00 0.00 C ATOM 0 H THR A 16 5.755 -3.704 -1.873 1.00 0.00 H new ATOM 0 HA THR A 16 6.211 -3.589 1.028 1.00 0.00 H new ATOM 0 HB THR A 16 4.188 -2.550 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 16 2.765 -4.089 1.836 1.00 0.00 H new ATOM 0 HG21 THR A 16 2.228 -3.103 -0.367 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.636 -2.594 -1.329 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.205 -4.318 -1.225 1.00 0.00 H new ATOM 268 N THR A 17 5.576 -6.143 1.176 1.00 0.00 N ATOM 269 CA THR A 17 5.723 -7.598 1.156 1.00 0.00 C ATOM 270 C THR A 17 4.751 -8.305 2.107 1.00 0.00 C ATOM 271 O THR A 17 4.768 -8.074 3.316 1.00 0.00 O ATOM 272 CB THR A 17 7.158 -7.987 1.513 1.00 0.00 C ATOM 273 OG1 THR A 17 7.516 -7.474 2.784 1.00 0.00 O ATOM 274 CG2 THR A 17 8.179 -7.490 0.512 1.00 0.00 C ATOM 0 H THR A 17 5.360 -5.750 2.092 1.00 0.00 H new ATOM 0 HA THR A 17 5.485 -7.924 0.143 1.00 0.00 H new ATOM 0 HB THR A 17 7.171 -9.077 1.510 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.717 -7.409 3.348 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.176 -7.800 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.960 -7.909 -0.470 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.137 -6.402 0.459 1.00 0.00 H new ATOM 282 N THR A 18 3.927 -9.188 1.544 1.00 0.00 N ATOM 283 CA THR A 18 2.960 -9.965 2.321 1.00 0.00 C ATOM 284 C THR A 18 3.434 -11.412 2.443 1.00 0.00 C ATOM 285 O THR A 18 3.994 -11.969 1.498 1.00 0.00 O ATOM 286 CB THR A 18 1.584 -9.931 1.649 1.00 0.00 C ATOM 287 OG1 THR A 18 0.621 -10.580 2.457 1.00 0.00 O ATOM 288 CG2 THR A 18 1.564 -10.593 0.288 1.00 0.00 C ATOM 0 H THR A 18 3.910 -9.385 0.543 1.00 0.00 H new ATOM 0 HA THR A 18 2.879 -9.525 3.315 1.00 0.00 H new ATOM 0 HB THR A 18 1.349 -8.874 1.522 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.858 -10.469 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.560 -10.533 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 18 2.264 -10.084 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.854 -11.639 0.388 1.00 0.00 H new ATOM 296 N GLU A 19 3.204 -12.019 3.601 1.00 0.00 N ATOM 297 CA GLU A 19 3.607 -13.407 3.829 1.00 0.00 C ATOM 298 C GLU A 19 2.400 -14.332 3.723 1.00 0.00 C ATOM 299 O GLU A 19 1.477 -14.251 4.535 1.00 0.00 O ATOM 300 CB GLU A 19 4.257 -13.548 5.208 1.00 0.00 C ATOM 301 CG GLU A 19 4.686 -14.967 5.541 1.00 0.00 C ATOM 302 CD GLU A 19 5.718 -15.509 4.569 1.00 0.00 C ATOM 303 OE1 GLU A 19 6.799 -14.896 4.448 1.00 0.00 O ATOM 304 OE2 GLU A 19 5.446 -16.549 3.934 1.00 0.00 O ATOM 0 H GLU A 19 2.743 -11.577 4.396 1.00 0.00 H new ATOM 0 HA GLU A 19 4.333 -13.689 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.128 -12.894 5.258 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.555 -13.203 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.096 -14.991 6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.811 -15.617 5.536 1.00 0.00 H new ATOM 311 N ALA A 20 2.397 -15.204 2.717 1.00 0.00 N ATOM 312 CA ALA A 20 1.282 -16.123 2.522 1.00 0.00 C ATOM 313 C ALA A 20 1.727 -17.446 1.896 1.00 0.00 C ATOM 314 O ALA A 20 2.717 -17.506 1.167 1.00 0.00 O ATOM 315 CB ALA A 20 0.211 -15.462 1.669 1.00 0.00 C ATOM 0 H ALA A 20 3.147 -15.292 2.031 1.00 0.00 H new ATOM 0 HA ALA A 20 0.870 -16.358 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.619 -16.154 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.148 -14.562 2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.631 -15.196 0.699 1.00 0.00 H new ATOM 321 N VAL A 21 0.989 -18.504 2.217 1.00 0.00 N ATOM 322 CA VAL A 21 1.288 -19.851 1.730 1.00 0.00 C ATOM 323 C VAL A 21 1.471 -19.891 0.211 1.00 0.00 C ATOM 324 O VAL A 21 2.315 -20.628 -0.299 1.00 0.00 O ATOM 325 CB VAL A 21 0.168 -20.835 2.116 1.00 0.00 C ATOM 326 CG1 VAL A 21 0.567 -22.264 1.785 1.00 0.00 C ATOM 327 CG2 VAL A 21 -0.184 -20.695 3.590 1.00 0.00 C ATOM 0 H VAL A 21 0.168 -18.455 2.820 1.00 0.00 H new ATOM 0 HA VAL A 21 2.225 -20.146 2.202 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.719 -20.591 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.239 -22.941 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.757 -22.350 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.470 -22.526 2.336 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.977 -21.399 3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.697 -20.908 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.524 -19.678 3.788 1.00 0.00 H new ATOM 337 N ASP A 22 0.685 -19.096 -0.504 1.00 0.00 N ATOM 338 CA ASP A 22 0.779 -19.052 -1.959 1.00 0.00 C ATOM 339 C ASP A 22 0.503 -17.651 -2.490 1.00 0.00 C ATOM 340 O ASP A 22 0.099 -16.760 -1.741 1.00 0.00 O ATOM 341 CB ASP A 22 -0.181 -20.063 -2.594 1.00 0.00 C ATOM 342 CG ASP A 22 -1.636 -19.732 -2.339 1.00 0.00 C ATOM 343 OD1 ASP A 22 -2.101 -18.691 -2.841 1.00 0.00 O ATOM 344 OD2 ASP A 22 -2.309 -20.515 -1.637 1.00 0.00 O ATOM 0 H ASP A 22 -0.020 -18.477 -0.104 1.00 0.00 H new ATOM 0 HA ASP A 22 1.799 -19.320 -2.233 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.004 -20.099 -3.669 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.035 -21.057 -2.202 1.00 0.00 H new ATOM 349 N ALA A 23 0.737 -17.457 -3.785 1.00 0.00 N ATOM 350 CA ALA A 23 0.528 -16.159 -4.418 1.00 0.00 C ATOM 351 C ALA A 23 -0.903 -15.674 -4.239 1.00 0.00 C ATOM 352 O ALA A 23 -1.134 -14.503 -3.948 1.00 0.00 O ATOM 353 CB ALA A 23 0.888 -16.226 -5.896 1.00 0.00 C ATOM 0 H ALA A 23 1.072 -18.184 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 23 1.184 -15.440 -3.928 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.727 -15.250 -6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.935 -16.509 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.260 -16.967 -6.390 1.00 0.00 H new ATOM 359 N ALA A 24 -1.858 -16.576 -4.407 1.00 0.00 N ATOM 360 CA ALA A 24 -3.262 -16.219 -4.250 1.00 0.00 C ATOM 361 C ALA A 24 -3.528 -15.774 -2.822 1.00 0.00 C ATOM 362 O ALA A 24 -4.021 -14.672 -2.588 1.00 0.00 O ATOM 363 CB ALA A 24 -4.160 -17.389 -4.631 1.00 0.00 C ATOM 0 H ALA A 24 -1.690 -17.552 -4.650 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.491 -15.390 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.204 -17.102 -4.507 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.980 -17.662 -5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.939 -18.241 -3.988 1.00 0.00 H new ATOM 369 N THR A 25 -3.169 -16.623 -1.862 1.00 0.00 N ATOM 370 CA THR A 25 -3.342 -16.294 -0.461 1.00 0.00 C ATOM 371 C THR A 25 -2.695 -14.948 -0.184 1.00 0.00 C ATOM 372 O THR A 25 -3.293 -14.073 0.443 1.00 0.00 O ATOM 373 CB THR A 25 -2.721 -17.379 0.416 1.00 0.00 C ATOM 374 OG1 THR A 25 -1.343 -17.528 0.134 1.00 0.00 O ATOM 375 CG2 THR A 25 -3.374 -18.734 0.252 1.00 0.00 C ATOM 0 H THR A 25 -2.758 -17.540 -2.034 1.00 0.00 H new ATOM 0 HA THR A 25 -4.405 -16.237 -0.227 1.00 0.00 H new ATOM 0 HB THR A 25 -2.879 -17.042 1.440 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.187 -17.379 -0.822 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.883 -19.456 0.904 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.429 -18.664 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.281 -19.059 -0.784 1.00 0.00 H new ATOM 383 N ALA A 26 -1.477 -14.777 -0.693 1.00 0.00 N ATOM 384 CA ALA A 26 -0.765 -13.521 -0.537 1.00 0.00 C ATOM 385 C ALA A 26 -1.579 -12.406 -1.172 1.00 0.00 C ATOM 386 O ALA A 26 -1.886 -11.402 -0.531 1.00 0.00 O ATOM 387 CB ALA A 26 0.618 -13.607 -1.168 1.00 0.00 C ATOM 0 H ALA A 26 -0.968 -15.492 -1.214 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.632 -13.309 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.136 -12.656 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.190 -14.399 -0.685 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.520 -13.827 -2.231 1.00 0.00 H new ATOM 393 N GLU A 27 -1.948 -12.603 -2.438 1.00 0.00 N ATOM 394 CA GLU A 27 -2.751 -11.632 -3.165 1.00 0.00 C ATOM 395 C GLU A 27 -3.982 -11.243 -2.354 1.00 0.00 C ATOM 396 O GLU A 27 -4.271 -10.059 -2.177 1.00 0.00 O ATOM 397 CB GLU A 27 -3.178 -12.209 -4.517 1.00 0.00 C ATOM 398 CG GLU A 27 -4.034 -11.261 -5.343 1.00 0.00 C ATOM 399 CD GLU A 27 -4.440 -11.852 -6.681 1.00 0.00 C ATOM 400 OE1 GLU A 27 -4.047 -13.004 -6.967 1.00 0.00 O ATOM 401 OE2 GLU A 27 -5.149 -11.163 -7.442 1.00 0.00 O ATOM 0 H GLU A 27 -1.700 -13.431 -2.979 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.147 -10.740 -3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.287 -12.471 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.732 -13.132 -4.349 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.930 -11.002 -4.778 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.484 -10.335 -5.511 1.00 0.00 H new ATOM 408 N LYS A 28 -4.695 -12.248 -1.848 1.00 0.00 N ATOM 409 CA LYS A 28 -5.889 -12.012 -1.044 1.00 0.00 C ATOM 410 C LYS A 28 -5.552 -11.175 0.180 1.00 0.00 C ATOM 411 O LYS A 28 -6.298 -10.269 0.551 1.00 0.00 O ATOM 412 CB LYS A 28 -6.514 -13.338 -0.612 1.00 0.00 C ATOM 413 CG LYS A 28 -7.023 -14.178 -1.771 1.00 0.00 C ATOM 414 CD LYS A 28 -8.065 -13.428 -2.581 1.00 0.00 C ATOM 415 CE LYS A 28 -8.581 -14.265 -3.741 1.00 0.00 C ATOM 416 NZ LYS A 28 -7.492 -14.642 -4.685 1.00 0.00 N ATOM 0 H LYS A 28 -4.465 -13.233 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.608 -11.466 -1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.775 -13.913 -0.054 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.340 -13.135 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.189 -14.455 -2.416 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.453 -15.104 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.897 -13.149 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.633 -12.503 -2.963 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.054 -15.168 -3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.349 -13.707 -4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.907 -15.015 -5.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.916 -13.804 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.891 -15.370 -4.249 1.00 0.00 H new ATOM 430 N VAL A 29 -4.417 -11.479 0.801 1.00 0.00 N ATOM 431 CA VAL A 29 -3.977 -10.747 1.980 1.00 0.00 C ATOM 432 C VAL A 29 -3.875 -9.261 1.674 1.00 0.00 C ATOM 433 O VAL A 29 -4.258 -8.420 2.486 1.00 0.00 O ATOM 434 CB VAL A 29 -2.615 -11.263 2.486 1.00 0.00 C ATOM 435 CG1 VAL A 29 -2.180 -10.501 3.726 1.00 0.00 C ATOM 436 CG2 VAL A 29 -2.681 -12.759 2.768 1.00 0.00 C ATOM 0 H VAL A 29 -3.787 -12.226 0.507 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.719 -10.907 2.762 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.873 -11.094 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.217 -10.880 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.089 -9.441 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.922 -10.634 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.711 -13.105 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.437 -12.953 3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.942 -13.291 1.853 1.00 0.00 H new ATOM 446 N VAL A 30 -3.378 -8.946 0.484 1.00 0.00 N ATOM 447 CA VAL A 30 -3.253 -7.563 0.061 1.00 0.00 C ATOM 448 C VAL A 30 -4.638 -6.925 -0.021 1.00 0.00 C ATOM 449 O VAL A 30 -4.861 -5.832 0.494 1.00 0.00 O ATOM 450 CB VAL A 30 -2.557 -7.457 -1.309 1.00 0.00 C ATOM 451 CG1 VAL A 30 -2.393 -6.001 -1.718 1.00 0.00 C ATOM 452 CG2 VAL A 30 -1.210 -8.163 -1.278 1.00 0.00 C ATOM 0 H VAL A 30 -3.057 -9.630 -0.201 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.643 -7.038 0.796 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.185 -7.949 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.899 -5.949 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.373 -5.529 -1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.789 -5.480 -0.975 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.732 -8.078 -2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.575 -7.702 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.356 -9.216 -1.036 1.00 0.00 H new ATOM 462 N LYS A 31 -5.577 -7.631 -0.660 1.00 0.00 N ATOM 463 CA LYS A 31 -6.946 -7.136 -0.788 1.00 0.00 C ATOM 464 C LYS A 31 -7.489 -6.716 0.570 1.00 0.00 C ATOM 465 O LYS A 31 -8.044 -5.627 0.719 1.00 0.00 O ATOM 466 CB LYS A 31 -7.864 -8.194 -1.410 1.00 0.00 C ATOM 467 CG LYS A 31 -7.749 -8.294 -2.922 1.00 0.00 C ATOM 468 CD LYS A 31 -6.378 -8.782 -3.352 1.00 0.00 C ATOM 469 CE LYS A 31 -6.237 -8.782 -4.866 1.00 0.00 C ATOM 470 NZ LYS A 31 -7.217 -9.695 -5.516 1.00 0.00 N ATOM 0 H LYS A 31 -5.413 -8.540 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 31 -6.924 -6.269 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.632 -9.165 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.897 -7.965 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.512 -8.974 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.943 -7.318 -3.367 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.610 -8.145 -2.914 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.213 -9.789 -2.970 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.379 -7.769 -5.244 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.225 -9.084 -5.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.726 -10.292 -6.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.662 -10.298 -4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.949 -9.134 -5.997 1.00 0.00 H new ATOM 484 N GLN A 32 -7.305 -7.577 1.562 1.00 0.00 N ATOM 485 CA GLN A 32 -7.756 -7.281 2.913 1.00 0.00 C ATOM 486 C GLN A 32 -6.982 -6.087 3.452 1.00 0.00 C ATOM 487 O GLN A 32 -7.537 -5.213 4.115 1.00 0.00 O ATOM 488 CB GLN A 32 -7.584 -8.515 3.811 1.00 0.00 C ATOM 489 CG GLN A 32 -7.880 -8.267 5.288 1.00 0.00 C ATOM 490 CD GLN A 32 -6.785 -7.514 6.039 1.00 0.00 C ATOM 491 OE1 GLN A 32 -7.006 -7.056 7.159 1.00 0.00 O ATOM 492 NE2 GLN A 32 -5.591 -7.403 5.457 1.00 0.00 N ATOM 0 H GLN A 32 -6.848 -8.483 1.456 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.816 -7.028 2.901 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.240 -9.307 3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.561 -8.880 3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.810 -7.705 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -8.044 -9.227 5.778 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.439 -7.793 4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.830 -6.928 5.942 1.00 0.00 H new ATOM 501 N PHE A 33 -5.688 -6.059 3.142 1.00 0.00 N ATOM 502 CA PHE A 33 -4.810 -4.978 3.570 1.00 0.00 C ATOM 503 C PHE A 33 -5.382 -3.627 3.146 1.00 0.00 C ATOM 504 O PHE A 33 -5.653 -2.760 3.975 1.00 0.00 O ATOM 505 CB PHE A 33 -3.416 -5.178 2.960 1.00 0.00 C ATOM 506 CG PHE A 33 -2.369 -4.280 3.544 1.00 0.00 C ATOM 507 CD1 PHE A 33 -2.090 -4.330 4.900 1.00 0.00 C ATOM 508 CD2 PHE A 33 -1.674 -3.374 2.749 1.00 0.00 C ATOM 509 CE1 PHE A 33 -1.139 -3.497 5.453 1.00 0.00 C ATOM 510 CE2 PHE A 33 -0.722 -2.543 3.302 1.00 0.00 C ATOM 511 CZ PHE A 33 -0.455 -2.606 4.659 1.00 0.00 C ATOM 0 H PHE A 33 -5.223 -6.780 2.591 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.733 -4.992 4.657 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.113 -6.215 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.471 -5.006 1.885 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.622 -5.027 5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.882 -3.321 1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.931 -3.545 6.512 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.186 -1.844 2.677 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.290 -1.956 5.094 1.00 0.00 H new ATOM 521 N PHE A 34 -5.572 -3.471 1.844 1.00 0.00 N ATOM 522 CA PHE A 34 -6.120 -2.238 1.288 1.00 0.00 C ATOM 523 C PHE A 34 -7.591 -2.091 1.646 1.00 0.00 C ATOM 524 O PHE A 34 -8.058 -0.996 1.956 1.00 0.00 O ATOM 525 CB PHE A 34 -5.894 -2.197 -0.219 1.00 0.00 C ATOM 526 CG PHE A 34 -4.434 -2.215 -0.558 1.00 0.00 C ATOM 527 CD1 PHE A 34 -3.545 -1.434 0.166 1.00 0.00 C ATOM 528 CD2 PHE A 34 -3.945 -3.022 -1.569 1.00 0.00 C ATOM 529 CE1 PHE A 34 -2.198 -1.458 -0.112 1.00 0.00 C ATOM 530 CE2 PHE A 34 -2.594 -3.045 -1.856 1.00 0.00 C ATOM 531 CZ PHE A 34 -1.720 -2.263 -1.123 1.00 0.00 C ATOM 0 H PHE A 34 -5.354 -4.185 1.149 1.00 0.00 H new ATOM 0 HA PHE A 34 -5.598 -1.388 1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.387 -3.050 -0.685 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -6.353 -1.299 -0.632 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.915 -0.799 0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.624 -3.639 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.516 -0.847 0.461 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.221 -3.673 -2.652 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.663 -2.283 -1.343 1.00 0.00 H new ATOM 541 N ASN A 35 -8.313 -3.203 1.633 1.00 0.00 N ATOM 542 CA ASN A 35 -9.726 -3.198 1.991 1.00 0.00 C ATOM 543 C ASN A 35 -9.925 -2.509 3.339 1.00 0.00 C ATOM 544 O ASN A 35 -10.900 -1.787 3.552 1.00 0.00 O ATOM 545 CB ASN A 35 -10.248 -4.634 2.065 1.00 0.00 C ATOM 546 CG ASN A 35 -11.666 -4.719 2.597 1.00 0.00 C ATOM 547 OD1 ASN A 35 -11.964 -4.242 3.691 1.00 0.00 O ATOM 548 ND2 ASN A 35 -12.544 -5.341 1.826 1.00 0.00 N ATOM 0 H ASN A 35 -7.945 -4.120 1.379 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.280 -2.652 1.228 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.211 -5.081 1.071 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.590 -5.222 2.704 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.512 -5.440 2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.253 -5.721 0.926 1.00 0.00 H new ATOM 555 N ASP A 36 -8.989 -2.758 4.247 1.00 0.00 N ATOM 556 CA ASP A 36 -9.040 -2.188 5.590 1.00 0.00 C ATOM 557 C ASP A 36 -8.245 -0.888 5.702 1.00 0.00 C ATOM 558 O ASP A 36 -8.538 -0.054 6.559 1.00 0.00 O ATOM 559 CB ASP A 36 -8.530 -3.200 6.615 1.00 0.00 C ATOM 560 CG ASP A 36 -9.366 -4.465 6.641 1.00 0.00 C ATOM 561 OD1 ASP A 36 -10.581 -4.367 6.918 1.00 0.00 O ATOM 562 OD2 ASP A 36 -8.808 -5.551 6.381 1.00 0.00 O ATOM 0 H ASP A 36 -8.180 -3.355 4.077 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.084 -1.951 5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.495 -3.456 6.386 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.534 -2.744 7.605 1.00 0.00 H new ATOM 567 N ASN A 37 -7.253 -0.697 4.833 1.00 0.00 N ATOM 568 CA ASN A 37 -6.461 0.531 4.866 1.00 0.00 C ATOM 569 C ASN A 37 -7.230 1.652 4.188 1.00 0.00 C ATOM 570 O ASN A 37 -7.314 2.765 4.707 1.00 0.00 O ATOM 571 CB ASN A 37 -5.113 0.349 4.167 1.00 0.00 C ATOM 572 CG ASN A 37 -4.225 -0.672 4.845 1.00 0.00 C ATOM 573 OD1 ASN A 37 -4.186 -0.762 6.070 1.00 0.00 O ATOM 574 ND2 ASN A 37 -3.481 -1.427 4.045 1.00 0.00 N ATOM 0 H ASN A 37 -6.982 -1.364 4.110 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.273 0.781 5.910 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.284 0.044 3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -4.595 1.308 4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -2.844 -2.117 4.442 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.547 -1.317 3.033 1.00 0.00 H new ATOM 581 N GLY A 38 -7.780 1.320 3.019 1.00 0.00 N ATOM 582 CA GLY A 38 -8.558 2.243 2.207 1.00 0.00 C ATOM 583 C GLY A 38 -8.870 3.584 2.846 1.00 0.00 C ATOM 584 O GLY A 38 -7.973 4.379 3.129 1.00 0.00 O ATOM 0 H GLY A 38 -7.694 0.390 2.609 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.019 2.422 1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.499 1.760 1.943 1.00 0.00 H new ATOM 588 N VAL A 39 -10.159 3.852 3.008 1.00 0.00 N ATOM 589 CA VAL A 39 -10.623 5.124 3.547 1.00 0.00 C ATOM 590 C VAL A 39 -11.262 5.003 4.927 1.00 0.00 C ATOM 591 O VAL A 39 -11.777 5.989 5.455 1.00 0.00 O ATOM 592 CB VAL A 39 -11.655 5.740 2.599 1.00 0.00 C ATOM 593 CG1 VAL A 39 -12.079 7.125 3.069 1.00 0.00 C ATOM 594 CG2 VAL A 39 -11.114 5.789 1.179 1.00 0.00 C ATOM 0 H VAL A 39 -10.907 3.200 2.772 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.738 5.752 3.644 1.00 0.00 H new ATOM 0 HB VAL A 39 -12.541 5.105 2.606 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -12.812 7.536 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.521 7.053 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -11.208 7.779 3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.862 6.230 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -10.208 6.394 1.156 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.884 4.778 0.842 1.00 0.00 H new ATOM 604 N ASP A 40 -11.240 3.822 5.521 1.00 0.00 N ATOM 605 CA ASP A 40 -11.833 3.639 6.843 1.00 0.00 C ATOM 606 C ASP A 40 -10.829 3.042 7.832 1.00 0.00 C ATOM 607 O ASP A 40 -11.200 2.658 8.942 1.00 0.00 O ATOM 608 CB ASP A 40 -13.066 2.738 6.748 1.00 0.00 C ATOM 609 CG ASP A 40 -14.137 3.312 5.840 1.00 0.00 C ATOM 610 OD1 ASP A 40 -13.920 4.410 5.283 1.00 0.00 O ATOM 611 OD2 ASP A 40 -15.193 2.664 5.685 1.00 0.00 O ATOM 0 H ASP A 40 -10.824 2.982 5.118 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.128 4.621 7.212 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -12.768 1.757 6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.481 2.589 7.745 1.00 0.00 H new ATOM 616 N GLY A 41 -9.564 2.960 7.429 1.00 0.00 N ATOM 617 CA GLY A 41 -8.543 2.401 8.299 1.00 0.00 C ATOM 618 C GLY A 41 -7.976 3.418 9.271 1.00 0.00 C ATOM 619 O GLY A 41 -8.370 4.585 9.261 1.00 0.00 O ATOM 0 H GLY A 41 -9.228 3.270 6.517 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.966 1.567 8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.734 1.998 7.690 1.00 0.00 H new ATOM 623 N GLU A 42 -7.047 2.973 10.113 1.00 0.00 N ATOM 624 CA GLU A 42 -6.417 3.850 11.096 1.00 0.00 C ATOM 625 C GLU A 42 -4.931 4.019 10.798 1.00 0.00 C ATOM 626 O GLU A 42 -4.166 3.052 10.821 1.00 0.00 O ATOM 627 CB GLU A 42 -6.608 3.291 12.508 1.00 0.00 C ATOM 628 CG GLU A 42 -8.066 3.160 12.919 1.00 0.00 C ATOM 629 CD GLU A 42 -8.232 2.611 14.323 1.00 0.00 C ATOM 630 OE1 GLU A 42 -7.204 2.331 14.978 1.00 0.00 O ATOM 631 OE2 GLU A 42 -9.388 2.461 14.769 1.00 0.00 O ATOM 0 H GLU A 42 -6.714 2.009 10.134 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.895 4.828 11.034 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.133 2.312 12.570 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.096 3.939 13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.546 4.137 12.856 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.580 2.506 12.215 1.00 0.00 H new ATOM 638 N TRP A 43 -4.525 5.255 10.521 1.00 0.00 N ATOM 639 CA TRP A 43 -3.129 5.549 10.219 1.00 0.00 C ATOM 640 C TRP A 43 -2.566 6.574 11.201 1.00 0.00 C ATOM 641 O TRP A 43 -3.274 7.484 11.634 1.00 0.00 O ATOM 642 CB TRP A 43 -2.971 6.115 8.806 1.00 0.00 C ATOM 643 CG TRP A 43 -3.703 5.382 7.716 1.00 0.00 C ATOM 644 CD1 TRP A 43 -4.331 4.167 7.780 1.00 0.00 C ATOM 645 CD2 TRP A 43 -3.871 5.848 6.376 1.00 0.00 C ATOM 646 NE1 TRP A 43 -4.884 3.862 6.554 1.00 0.00 N ATOM 647 CE2 TRP A 43 -4.611 4.879 5.680 1.00 0.00 C ATOM 648 CE3 TRP A 43 -3.463 6.999 5.699 1.00 0.00 C ATOM 649 CZ2 TRP A 43 -4.956 5.025 4.339 1.00 0.00 C ATOM 650 CZ3 TRP A 43 -3.801 7.144 4.369 1.00 0.00 C ATOM 651 CH2 TRP A 43 -4.543 6.162 3.700 1.00 0.00 C ATOM 0 H TRP A 43 -5.142 6.067 10.500 1.00 0.00 H new ATOM 0 HA TRP A 43 -2.585 4.608 10.301 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -3.310 7.151 8.811 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.910 6.128 8.558 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.385 3.541 8.659 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.411 3.016 6.335 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -2.893 7.762 6.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.528 4.269 3.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -3.488 8.029 3.835 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -4.794 6.305 2.659 1.00 0.00 H new ATOM 662 N THR A 44 -1.283 6.443 11.519 1.00 0.00 N ATOM 663 CA THR A 44 -0.617 7.380 12.418 1.00 0.00 C ATOM 664 C THR A 44 0.469 8.135 11.656 1.00 0.00 C ATOM 665 O THR A 44 1.133 7.569 10.789 1.00 0.00 O ATOM 666 CB THR A 44 -0.016 6.647 13.619 1.00 0.00 C ATOM 667 OG1 THR A 44 0.895 5.651 13.198 1.00 0.00 O ATOM 668 CG2 THR A 44 -1.055 5.976 14.492 1.00 0.00 C ATOM 0 H THR A 44 -0.683 5.697 11.168 1.00 0.00 H new ATOM 0 HA THR A 44 -1.353 8.091 12.793 1.00 0.00 H new ATOM 0 HB THR A 44 0.486 7.419 14.203 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.611 6.064 12.672 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.562 5.475 15.325 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.746 6.726 14.877 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.607 5.243 13.903 1.00 0.00 H new ATOM 676 N TYR A 45 0.636 9.418 11.963 1.00 0.00 N ATOM 677 CA TYR A 45 1.632 10.237 11.277 1.00 0.00 C ATOM 678 C TYR A 45 2.800 10.587 12.195 1.00 0.00 C ATOM 679 O TYR A 45 2.620 10.802 13.393 1.00 0.00 O ATOM 680 CB TYR A 45 0.982 11.516 10.745 1.00 0.00 C ATOM 681 CG TYR A 45 1.898 12.357 9.883 1.00 0.00 C ATOM 682 CD1 TYR A 45 2.791 11.766 8.998 1.00 0.00 C ATOM 683 CD2 TYR A 45 1.864 13.745 9.950 1.00 0.00 C ATOM 684 CE1 TYR A 45 3.625 12.531 8.208 1.00 0.00 C ATOM 685 CE2 TYR A 45 2.696 14.517 9.161 1.00 0.00 C ATOM 686 CZ TYR A 45 3.575 13.906 8.292 1.00 0.00 C ATOM 687 OH TYR A 45 4.404 14.671 7.505 1.00 0.00 O ATOM 0 H TYR A 45 0.099 9.911 12.677 1.00 0.00 H new ATOM 0 HA TYR A 45 2.026 9.656 10.443 1.00 0.00 H new ATOM 0 HB2 TYR A 45 0.098 11.249 10.166 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.641 12.116 11.588 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.833 10.689 8.927 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.177 14.228 10.629 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.314 12.054 7.527 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.658 15.594 9.225 1.00 0.00 H new ATOM 0 HH TYR A 45 4.298 14.409 6.567 1.00 0.00 H new ATOM 697 N ASP A 46 3.996 10.649 11.615 1.00 0.00 N ATOM 698 CA ASP A 46 5.201 10.981 12.368 1.00 0.00 C ATOM 699 C ASP A 46 5.901 12.194 11.759 1.00 0.00 C ATOM 700 O ASP A 46 6.839 12.054 10.974 1.00 0.00 O ATOM 701 CB ASP A 46 6.155 9.785 12.394 1.00 0.00 C ATOM 702 CG ASP A 46 7.421 10.064 13.184 1.00 0.00 C ATOM 703 OD1 ASP A 46 7.556 11.187 13.712 1.00 0.00 O ATOM 704 OD2 ASP A 46 8.277 9.158 13.272 1.00 0.00 O ATOM 0 H ASP A 46 4.156 10.473 10.623 1.00 0.00 H new ATOM 0 HA ASP A 46 4.910 11.225 13.389 1.00 0.00 H new ATOM 0 HB2 ASP A 46 5.643 8.926 12.827 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.421 9.515 11.372 1.00 0.00 H new ATOM 709 N ASP A 47 5.431 13.386 12.121 1.00 0.00 N ATOM 710 CA ASP A 47 6.001 14.632 11.609 1.00 0.00 C ATOM 711 C ASP A 47 7.529 14.613 11.653 1.00 0.00 C ATOM 712 O ASP A 47 8.191 15.135 10.756 1.00 0.00 O ATOM 713 CB ASP A 47 5.480 15.821 12.418 1.00 0.00 C ATOM 714 CG ASP A 47 3.971 15.945 12.357 1.00 0.00 C ATOM 715 OD1 ASP A 47 3.433 16.127 11.245 1.00 0.00 O ATOM 716 OD2 ASP A 47 3.325 15.862 13.424 1.00 0.00 O ATOM 0 H ASP A 47 4.654 13.516 12.769 1.00 0.00 H new ATOM 0 HA ASP A 47 5.692 14.732 10.568 1.00 0.00 H new ATOM 0 HB2 ASP A 47 5.791 15.714 13.457 1.00 0.00 H new ATOM 0 HB3 ASP A 47 5.933 16.739 12.042 1.00 0.00 H new ATOM 721 N ALA A 48 8.081 14.024 12.709 1.00 0.00 N ATOM 722 CA ALA A 48 9.530 13.954 12.882 1.00 0.00 C ATOM 723 C ALA A 48 10.231 13.429 11.631 1.00 0.00 C ATOM 724 O ALA A 48 11.362 13.816 11.339 1.00 0.00 O ATOM 725 CB ALA A 48 9.871 13.080 14.081 1.00 0.00 C ATOM 0 H ALA A 48 7.547 13.587 13.460 1.00 0.00 H new ATOM 0 HA ALA A 48 9.890 14.968 13.057 1.00 0.00 H new ATOM 0 HB1 ALA A 48 10.953 13.034 14.202 1.00 0.00 H new ATOM 0 HB2 ALA A 48 9.423 13.504 14.980 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.481 12.075 13.921 1.00 0.00 H new ATOM 731 N THR A 49 9.562 12.546 10.898 1.00 0.00 N ATOM 732 CA THR A 49 10.140 11.976 9.684 1.00 0.00 C ATOM 733 C THR A 49 9.194 12.116 8.491 1.00 0.00 C ATOM 734 O THR A 49 9.400 11.487 7.453 1.00 0.00 O ATOM 735 CB THR A 49 10.481 10.501 9.904 1.00 0.00 C ATOM 736 OG1 THR A 49 9.320 9.763 10.243 1.00 0.00 O ATOM 737 CG2 THR A 49 11.502 10.279 10.998 1.00 0.00 C ATOM 0 H THR A 49 8.625 12.210 11.120 1.00 0.00 H new ATOM 0 HA THR A 49 11.051 12.531 9.460 1.00 0.00 H new ATOM 0 HB THR A 49 10.905 10.159 8.960 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.256 9.683 11.218 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.698 9.212 11.102 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.428 10.795 10.742 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.117 10.670 11.940 1.00 0.00 H new ATOM 745 N LYS A 50 8.157 12.939 8.640 1.00 0.00 N ATOM 746 CA LYS A 50 7.189 13.147 7.566 1.00 0.00 C ATOM 747 C LYS A 50 6.729 11.813 6.981 1.00 0.00 C ATOM 748 O LYS A 50 6.540 11.684 5.770 1.00 0.00 O ATOM 749 CB LYS A 50 7.792 14.015 6.467 1.00 0.00 C ATOM 750 CG LYS A 50 8.173 15.403 6.947 1.00 0.00 C ATOM 751 CD LYS A 50 7.768 16.468 5.947 1.00 0.00 C ATOM 752 CE LYS A 50 8.580 16.384 4.662 1.00 0.00 C ATOM 753 NZ LYS A 50 8.310 15.131 3.902 1.00 0.00 N ATOM 0 H LYS A 50 7.967 13.470 9.490 1.00 0.00 H new ATOM 0 HA LYS A 50 6.323 13.658 7.987 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.676 13.520 6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.077 14.103 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.694 15.602 7.906 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.249 15.449 7.113 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.709 16.362 5.714 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.899 17.453 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.350 17.244 4.033 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.642 16.439 4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.488 15.293 2.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.935 14.375 4.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.318 14.849 4.038 1.00 0.00 H new ATOM 767 N THR A 51 6.567 10.821 7.849 1.00 0.00 N ATOM 768 CA THR A 51 6.145 9.495 7.421 1.00 0.00 C ATOM 769 C THR A 51 4.854 9.071 8.114 1.00 0.00 C ATOM 770 O THR A 51 4.657 9.326 9.301 1.00 0.00 O ATOM 771 CB THR A 51 7.250 8.476 7.708 1.00 0.00 C ATOM 772 OG1 THR A 51 8.437 8.816 7.015 1.00 0.00 O ATOM 773 CG2 THR A 51 6.881 7.060 7.317 1.00 0.00 C ATOM 0 H THR A 51 6.722 10.911 8.853 1.00 0.00 H new ATOM 0 HA THR A 51 5.955 9.533 6.348 1.00 0.00 H new ATOM 0 HB THR A 51 7.397 8.509 8.788 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.720 9.718 7.274 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.710 6.391 7.548 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.997 6.748 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.670 7.021 6.248 1.00 0.00 H new ATOM 781 N PHE A 52 3.982 8.415 7.355 1.00 0.00 N ATOM 782 CA PHE A 52 2.709 7.938 7.880 1.00 0.00 C ATOM 783 C PHE A 52 2.738 6.419 8.009 1.00 0.00 C ATOM 784 O PHE A 52 3.350 5.743 7.194 1.00 0.00 O ATOM 785 CB PHE A 52 1.559 8.341 6.948 1.00 0.00 C ATOM 786 CG PHE A 52 1.524 9.804 6.595 1.00 0.00 C ATOM 787 CD1 PHE A 52 2.564 10.387 5.885 1.00 0.00 C ATOM 788 CD2 PHE A 52 0.443 10.592 6.960 1.00 0.00 C ATOM 789 CE1 PHE A 52 2.527 11.726 5.551 1.00 0.00 C ATOM 790 CE2 PHE A 52 0.401 11.933 6.625 1.00 0.00 C ATOM 791 CZ PHE A 52 1.445 12.500 5.921 1.00 0.00 C ATOM 0 H PHE A 52 4.136 8.201 6.370 1.00 0.00 H new ATOM 0 HA PHE A 52 2.550 8.389 8.860 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.633 7.760 6.029 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.614 8.072 7.420 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.412 9.786 5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.375 10.154 7.512 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.344 12.168 5.000 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.447 12.536 6.914 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.415 13.548 5.660 1.00 0.00 H new ATOM 801 N THR A 53 2.073 5.881 9.021 1.00 0.00 N ATOM 802 CA THR A 53 2.034 4.435 9.213 1.00 0.00 C ATOM 803 C THR A 53 0.601 3.919 9.222 1.00 0.00 C ATOM 804 O THR A 53 -0.259 4.434 9.938 1.00 0.00 O ATOM 805 CB THR A 53 2.752 4.027 10.499 1.00 0.00 C ATOM 806 OG1 THR A 53 2.480 4.942 11.544 1.00 0.00 O ATOM 807 CG2 THR A 53 4.253 3.922 10.341 1.00 0.00 C ATOM 0 H THR A 53 1.556 6.417 9.718 1.00 0.00 H new ATOM 0 HA THR A 53 2.557 3.982 8.371 1.00 0.00 H new ATOM 0 HB THR A 53 2.365 3.038 10.742 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.686 4.648 12.038 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.699 3.629 11.291 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.488 3.174 9.584 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.655 4.888 10.034 1.00 0.00 H new ATOM 815 N VAL A 54 0.361 2.890 8.421 1.00 0.00 N ATOM 816 CA VAL A 54 -0.954 2.278 8.319 1.00 0.00 C ATOM 817 C VAL A 54 -0.955 0.911 8.992 1.00 0.00 C ATOM 818 O VAL A 54 -0.328 -0.027 8.502 1.00 0.00 O ATOM 819 CB VAL A 54 -1.382 2.118 6.846 1.00 0.00 C ATOM 820 CG1 VAL A 54 -2.744 1.451 6.749 1.00 0.00 C ATOM 821 CG2 VAL A 54 -1.386 3.469 6.145 1.00 0.00 C ATOM 0 H VAL A 54 1.069 2.459 7.827 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.664 2.935 8.821 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.659 1.475 6.345 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.025 1.349 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.700 0.465 7.211 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.485 2.061 7.266 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.690 3.339 5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.086 4.137 6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.385 3.899 6.179 1.00 0.00 H new ATOM 831 N THR A 55 -1.647 0.802 10.123 1.00 0.00 N ATOM 832 CA THR A 55 -1.695 -0.460 10.849 1.00 0.00 C ATOM 833 C THR A 55 -3.018 -1.184 10.619 1.00 0.00 C ATOM 834 O THR A 55 -4.080 -0.699 11.007 1.00 0.00 O ATOM 835 CB THR A 55 -1.480 -0.228 12.342 1.00 0.00 C ATOM 836 OG1 THR A 55 -0.348 0.594 12.563 1.00 0.00 O ATOM 837 CG2 THR A 55 -1.263 -1.513 13.111 1.00 0.00 C ATOM 0 H THR A 55 -2.175 1.562 10.551 1.00 0.00 H new ATOM 0 HA THR A 55 -0.892 -1.090 10.468 1.00 0.00 H new ATOM 0 HB THR A 55 -2.392 0.251 12.699 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.227 0.733 13.526 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.116 -1.285 14.167 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.135 -2.157 12.997 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.382 -2.024 12.724 1.00 0.00 H new ATOM 845 N GLU A 56 -2.939 -2.352 9.985 1.00 0.00 N ATOM 846 CA GLU A 56 -4.123 -3.157 9.697 1.00 0.00 C ATOM 847 C GLU A 56 -4.968 -3.344 10.955 1.00 0.00 C ATOM 848 O GLU A 56 -6.157 -2.957 10.933 1.00 0.00 O ATOM 849 CB GLU A 56 -3.701 -4.519 9.131 1.00 0.00 C ATOM 850 CG GLU A 56 -4.856 -5.380 8.632 1.00 0.00 C ATOM 851 CD GLU A 56 -5.828 -5.771 9.728 1.00 0.00 C ATOM 852 OE1 GLU A 56 -5.395 -6.424 10.701 1.00 0.00 O ATOM 853 OE2 GLU A 56 -7.022 -5.422 9.615 1.00 0.00 O ATOM 854 OXT GLU A 56 -4.436 -3.875 11.952 1.00 0.00 O ATOM 0 H GLU A 56 -2.064 -2.763 9.660 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.728 -2.635 8.956 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.004 -4.357 8.309 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.162 -5.068 9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.394 -4.838 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.455 -6.283 8.172 1.00 0.00 H new ATOM 862 N MET B 1 5.799 18.630 -2.041 1.00 0.00 N ATOM 863 CA MET B 1 6.464 17.926 -0.915 1.00 0.00 C ATOM 864 C MET B 1 6.343 16.412 -1.057 1.00 0.00 C ATOM 865 O MET B 1 5.294 15.895 -1.435 1.00 0.00 O ATOM 866 CB MET B 1 5.821 18.385 0.396 1.00 0.00 C ATOM 867 CG MET B 1 6.053 19.854 0.707 1.00 0.00 C ATOM 868 SD MET B 1 7.797 20.245 0.939 1.00 0.00 S ATOM 869 CE MET B 1 8.202 19.169 2.311 1.00 0.00 C ATOM 0 H1 MET B 1 6.294 19.524 -2.232 1.00 0.00 H new ATOM 0 H2 MET B 1 5.827 18.030 -2.890 1.00 0.00 H new ATOM 0 H3 MET B 1 4.810 18.829 -1.790 1.00 0.00 H new ATOM 0 HA MET B 1 7.526 18.171 -0.921 1.00 0.00 H new ATOM 0 HB2 MET B 1 4.748 18.197 0.350 1.00 0.00 H new ATOM 0 HB3 MET B 1 6.215 17.783 1.214 1.00 0.00 H new ATOM 0 HG2 MET B 1 5.653 20.461 -0.105 1.00 0.00 H new ATOM 0 HG3 MET B 1 5.501 20.123 1.608 1.00 0.00 H new ATOM 0 HE1 MET B 1 9.065 19.568 2.844 1.00 0.00 H new ATOM 0 HE2 MET B 1 7.351 19.109 2.990 1.00 0.00 H new ATOM 0 HE3 MET B 1 8.437 18.173 1.935 1.00 0.00 H new ATOM 881 N GLN B 2 7.426 15.711 -0.740 1.00 0.00 N ATOM 882 CA GLN B 2 7.447 14.255 -0.819 1.00 0.00 C ATOM 883 C GLN B 2 7.243 13.644 0.562 1.00 0.00 C ATOM 884 O GLN B 2 7.879 14.055 1.532 1.00 0.00 O ATOM 885 CB GLN B 2 8.774 13.776 -1.411 1.00 0.00 C ATOM 886 CG GLN B 2 8.874 12.264 -1.539 1.00 0.00 C ATOM 887 CD GLN B 2 7.815 11.683 -2.457 1.00 0.00 C ATOM 888 OE1 GLN B 2 6.619 11.835 -2.216 1.00 0.00 O ATOM 889 NE2 GLN B 2 8.253 11.014 -3.517 1.00 0.00 N ATOM 0 H GLN B 2 8.302 16.128 -0.425 1.00 0.00 H new ATOM 0 HA GLN B 2 6.633 13.933 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN B 2 8.906 14.225 -2.395 1.00 0.00 H new ATOM 0 HB3 GLN B 2 9.592 14.134 -0.785 1.00 0.00 H new ATOM 0 HG2 GLN B 2 9.862 12.000 -1.917 1.00 0.00 H new ATOM 0 HG3 GLN B 2 8.780 11.813 -0.551 1.00 0.00 H new ATOM 0 HE21 GLN B 2 9.255 10.913 -3.678 1.00 0.00 H new ATOM 0 HE22 GLN B 2 7.587 10.601 -4.171 1.00 0.00 H new ATOM 898 N TYR B 3 6.351 12.663 0.648 1.00 0.00 N ATOM 899 CA TYR B 3 6.069 12.005 1.916 1.00 0.00 C ATOM 900 C TYR B 3 6.213 10.495 1.788 1.00 0.00 C ATOM 901 O TYR B 3 5.884 9.917 0.753 1.00 0.00 O ATOM 902 CB TYR B 3 4.660 12.356 2.393 1.00 0.00 C ATOM 903 CG TYR B 3 4.457 13.836 2.631 1.00 0.00 C ATOM 904 CD1 TYR B 3 4.048 14.674 1.602 1.00 0.00 C ATOM 905 CD2 TYR B 3 4.674 14.394 3.885 1.00 0.00 C ATOM 906 CE1 TYR B 3 3.863 16.027 1.815 1.00 0.00 C ATOM 907 CE2 TYR B 3 4.491 15.745 4.105 1.00 0.00 C ATOM 908 CZ TYR B 3 4.085 16.557 3.068 1.00 0.00 C ATOM 909 OH TYR B 3 3.902 17.904 3.285 1.00 0.00 O ATOM 0 H TYR B 3 5.813 12.308 -0.143 1.00 0.00 H new ATOM 0 HA TYR B 3 6.793 12.360 2.650 1.00 0.00 H new ATOM 0 HB2 TYR B 3 3.938 12.012 1.653 1.00 0.00 H new ATOM 0 HB3 TYR B 3 4.452 11.815 3.316 1.00 0.00 H new ATOM 0 HD1 TYR B 3 3.872 14.262 0.619 1.00 0.00 H new ATOM 0 HD2 TYR B 3 4.991 13.761 4.701 1.00 0.00 H new ATOM 0 HE1 TYR B 3 3.546 16.666 1.004 1.00 0.00 H new ATOM 0 HE2 TYR B 3 4.665 16.163 5.085 1.00 0.00 H new ATOM 0 HH TYR B 3 4.100 18.114 4.222 1.00 0.00 H new ATOM 919 N LYS B 4 6.711 9.861 2.843 1.00 0.00 N ATOM 920 CA LYS B 4 6.897 8.416 2.841 1.00 0.00 C ATOM 921 C LYS B 4 5.831 7.736 3.692 1.00 0.00 C ATOM 922 O LYS B 4 5.834 7.851 4.916 1.00 0.00 O ATOM 923 CB LYS B 4 8.291 8.056 3.358 1.00 0.00 C ATOM 924 CG LYS B 4 8.569 6.562 3.362 1.00 0.00 C ATOM 925 CD LYS B 4 9.973 6.253 3.860 1.00 0.00 C ATOM 926 CE LYS B 4 11.032 6.881 2.969 1.00 0.00 C ATOM 927 NZ LYS B 4 12.412 6.561 3.432 1.00 0.00 N ATOM 0 H LYS B 4 6.992 10.323 3.708 1.00 0.00 H new ATOM 0 HA LYS B 4 6.801 8.061 1.815 1.00 0.00 H new ATOM 0 HB2 LYS B 4 9.039 8.555 2.741 1.00 0.00 H new ATOM 0 HB3 LYS B 4 8.405 8.441 4.371 1.00 0.00 H new ATOM 0 HG2 LYS B 4 7.839 6.058 3.995 1.00 0.00 H new ATOM 0 HG3 LYS B 4 8.445 6.166 2.354 1.00 0.00 H new ATOM 0 HD2 LYS B 4 10.088 6.622 4.879 1.00 0.00 H new ATOM 0 HD3 LYS B 4 10.119 5.173 3.894 1.00 0.00 H new ATOM 0 HE2 LYS B 4 10.902 6.527 1.946 1.00 0.00 H new ATOM 0 HE3 LYS B 4 10.897 7.962 2.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 13.104 7.008 2.797 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 12.546 6.921 4.399 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 12.551 5.530 3.424 1.00 0.00 H new ATOM 941 N VAL B 5 4.924 7.022 3.034 1.00 0.00 N ATOM 942 CA VAL B 5 3.860 6.323 3.734 1.00 0.00 C ATOM 943 C VAL B 5 4.245 4.868 3.988 1.00 0.00 C ATOM 944 O VAL B 5 4.618 4.136 3.073 1.00 0.00 O ATOM 945 CB VAL B 5 2.529 6.389 2.956 1.00 0.00 C ATOM 946 CG1 VAL B 5 1.419 5.685 3.722 1.00 0.00 C ATOM 947 CG2 VAL B 5 2.151 7.834 2.670 1.00 0.00 C ATOM 0 H VAL B 5 4.907 6.914 2.020 1.00 0.00 H new ATOM 0 HA VAL B 5 3.717 6.824 4.691 1.00 0.00 H new ATOM 0 HB VAL B 5 2.663 5.873 2.005 1.00 0.00 H new ATOM 0 HG11 VAL B 5 0.491 5.745 3.154 1.00 0.00 H new ATOM 0 HG12 VAL B 5 1.687 4.639 3.871 1.00 0.00 H new ATOM 0 HG13 VAL B 5 1.283 6.166 4.691 1.00 0.00 H new ATOM 0 HG21 VAL B 5 1.210 7.862 2.121 1.00 0.00 H new ATOM 0 HG22 VAL B 5 2.039 8.374 3.610 1.00 0.00 H new ATOM 0 HG23 VAL B 5 2.933 8.304 2.074 1.00 0.00 H new ATOM 957 N ILE B 6 4.146 4.470 5.246 1.00 0.00 N ATOM 958 CA ILE B 6 4.475 3.115 5.663 1.00 0.00 C ATOM 959 C ILE B 6 3.208 2.294 5.867 1.00 0.00 C ATOM 960 O ILE B 6 2.297 2.706 6.584 1.00 0.00 O ATOM 961 CB ILE B 6 5.301 3.124 6.966 1.00 0.00 C ATOM 962 CG1 ILE B 6 6.651 3.801 6.732 1.00 0.00 C ATOM 963 CG2 ILE B 6 5.494 1.710 7.492 1.00 0.00 C ATOM 964 CD1 ILE B 6 7.517 3.872 7.973 1.00 0.00 C ATOM 0 H ILE B 6 3.836 5.075 6.006 1.00 0.00 H new ATOM 0 HA ILE B 6 5.072 2.660 4.872 1.00 0.00 H new ATOM 0 HB ILE B 6 4.753 3.692 7.718 1.00 0.00 H new ATOM 0 HG12 ILE B 6 7.189 3.260 5.954 1.00 0.00 H new ATOM 0 HG13 ILE B 6 6.482 4.811 6.359 1.00 0.00 H new ATOM 0 HG21 ILE B 6 6.079 1.740 8.411 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.522 1.262 7.696 1.00 0.00 H new ATOM 0 HG23 ILE B 6 6.020 1.113 6.747 1.00 0.00 H new ATOM 0 HD11 ILE B 6 8.459 4.365 7.732 1.00 0.00 H new ATOM 0 HD12 ILE B 6 6.999 4.439 8.746 1.00 0.00 H new ATOM 0 HD13 ILE B 6 7.717 2.864 8.335 1.00 0.00 H new ATOM 976 N LEU B 7 3.152 1.138 5.220 1.00 0.00 N ATOM 977 CA LEU B 7 1.989 0.266 5.317 1.00 0.00 C ATOM 978 C LEU B 7 2.309 -0.953 6.185 1.00 0.00 C ATOM 979 O LEU B 7 2.689 -2.008 5.676 1.00 0.00 O ATOM 980 CB LEU B 7 1.559 -0.162 3.911 1.00 0.00 C ATOM 981 CG LEU B 7 1.645 0.939 2.854 1.00 0.00 C ATOM 982 CD1 LEU B 7 1.102 0.443 1.522 1.00 0.00 C ATOM 983 CD2 LEU B 7 0.898 2.180 3.319 1.00 0.00 C ATOM 0 H LEU B 7 3.898 0.782 4.622 1.00 0.00 H new ATOM 0 HA LEU B 7 1.168 0.806 5.789 1.00 0.00 H new ATOM 0 HB2 LEU B 7 2.181 -1.000 3.595 1.00 0.00 H new ATOM 0 HB3 LEU B 7 0.532 -0.526 3.955 1.00 0.00 H new ATOM 0 HG LEU B 7 2.692 1.206 2.713 1.00 0.00 H new ATOM 0 HD11 LEU B 7 1.171 1.240 0.782 1.00 0.00 H new ATOM 0 HD12 LEU B 7 1.686 -0.415 1.188 1.00 0.00 H new ATOM 0 HD13 LEU B 7 0.060 0.148 1.641 1.00 0.00 H new ATOM 0 HD21 LEU B 7 0.969 2.955 2.555 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -0.150 1.932 3.488 1.00 0.00 H new ATOM 0 HD23 LEU B 7 1.339 2.544 4.247 1.00 0.00 H new ATOM 995 N ASN B 8 2.166 -0.790 7.500 1.00 0.00 N ATOM 996 CA ASN B 8 2.457 -1.870 8.446 1.00 0.00 C ATOM 997 C ASN B 8 1.229 -2.724 8.739 1.00 0.00 C ATOM 998 O ASN B 8 0.357 -2.336 9.512 1.00 0.00 O ATOM 999 CB ASN B 8 3.013 -1.307 9.755 1.00 0.00 C ATOM 1000 CG ASN B 8 4.350 -0.621 9.577 1.00 0.00 C ATOM 1001 OD1 ASN B 8 4.432 0.631 10.006 1.00 0.00 O flip ATOM 1002 ND2 ASN B 8 5.303 -1.212 9.069 1.00 0.00 N flip ATOM 0 H ASN B 8 1.851 0.077 7.935 1.00 0.00 H new ATOM 0 HA ASN B 8 3.206 -2.507 7.976 1.00 0.00 H new ATOM 0 HB2 ASN B 8 2.299 -0.598 10.173 1.00 0.00 H new ATOM 0 HB3 ASN B 8 3.118 -2.116 10.478 1.00 0.00 H new ATOM 0 HD21 ASN B 8 5.195 -2.176 8.753 1.00 0.00 H new ATOM 0 HD22 ASN B 8 6.200 -0.738 8.965 1.00 0.00 H new ATOM 1009 N GLY B 9 1.182 -3.897 8.127 1.00 0.00 N ATOM 1010 CA GLY B 9 0.076 -4.814 8.334 1.00 0.00 C ATOM 1011 C GLY B 9 0.522 -6.140 8.912 1.00 0.00 C ATOM 1012 O GLY B 9 1.652 -6.574 8.694 1.00 0.00 O ATOM 0 H GLY B 9 1.897 -4.235 7.483 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.651 -4.356 9.004 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.431 -4.987 7.385 1.00 0.00 H new ATOM 1016 N LYS B 10 -0.373 -6.785 9.650 1.00 0.00 N ATOM 1017 CA LYS B 10 -0.086 -8.076 10.265 1.00 0.00 C ATOM 1018 C LYS B 10 0.588 -9.036 9.283 1.00 0.00 C ATOM 1019 O LYS B 10 1.683 -9.536 9.539 1.00 0.00 O ATOM 1020 CB LYS B 10 -1.389 -8.697 10.773 1.00 0.00 C ATOM 1021 CG LYS B 10 -2.097 -7.858 11.825 1.00 0.00 C ATOM 1022 CD LYS B 10 -3.524 -8.334 12.053 1.00 0.00 C ATOM 1023 CE LYS B 10 -3.571 -9.807 12.424 1.00 0.00 C ATOM 1024 NZ LYS B 10 -4.966 -10.277 12.652 1.00 0.00 N ATOM 0 H LYS B 10 -1.311 -6.432 9.838 1.00 0.00 H new ATOM 0 HA LYS B 10 0.602 -7.908 11.093 1.00 0.00 H new ATOM 0 HB2 LYS B 10 -2.062 -8.849 9.929 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -1.174 -9.681 11.190 1.00 0.00 H new ATOM 0 HG2 LYS B 10 -1.543 -7.905 12.762 1.00 0.00 H new ATOM 0 HG3 LYS B 10 -2.107 -6.814 11.513 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -3.982 -7.744 12.846 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -4.112 -8.167 11.151 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -3.114 -10.397 11.629 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -2.980 -9.974 13.324 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -4.956 -11.286 12.903 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -5.394 -9.732 13.428 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -5.524 -10.141 11.785 1.00 0.00 H new ATOM 1038 N THR B 11 -0.088 -9.299 8.169 1.00 0.00 N ATOM 1039 CA THR B 11 0.415 -10.209 7.150 1.00 0.00 C ATOM 1040 C THR B 11 1.084 -9.465 6.001 1.00 0.00 C ATOM 1041 O THR B 11 1.654 -10.085 5.104 1.00 0.00 O ATOM 1042 CB THR B 11 -0.737 -11.051 6.610 1.00 0.00 C ATOM 1043 OG1 THR B 11 -1.894 -10.255 6.438 1.00 0.00 O ATOM 1044 CG2 THR B 11 -1.102 -12.222 7.498 1.00 0.00 C ATOM 0 H THR B 11 -0.996 -8.889 7.949 1.00 0.00 H new ATOM 0 HA THR B 11 1.167 -10.847 7.614 1.00 0.00 H new ATOM 0 HB THR B 11 -0.384 -11.448 5.658 1.00 0.00 H new ATOM 0 HG1 THR B 11 -2.685 -10.763 6.717 1.00 0.00 H new ATOM 0 HG21 THR B 11 -1.928 -12.774 7.050 1.00 0.00 H new ATOM 0 HG22 THR B 11 -0.240 -12.881 7.604 1.00 0.00 H new ATOM 0 HG23 THR B 11 -1.401 -11.855 8.480 1.00 0.00 H new ATOM 1052 N LEU B 12 1.011 -8.141 6.022 1.00 0.00 N ATOM 1053 CA LEU B 12 1.611 -7.342 4.967 1.00 0.00 C ATOM 1054 C LEU B 12 2.392 -6.170 5.548 1.00 0.00 C ATOM 1055 O LEU B 12 1.921 -5.494 6.448 1.00 0.00 O ATOM 1056 CB LEU B 12 0.530 -6.843 4.006 1.00 0.00 C ATOM 1057 CG LEU B 12 1.038 -6.007 2.840 1.00 0.00 C ATOM 1058 CD1 LEU B 12 2.243 -6.679 2.212 1.00 0.00 C ATOM 1059 CD2 LEU B 12 -0.062 -5.800 1.812 1.00 0.00 C ATOM 0 H LEU B 12 0.546 -7.603 6.753 1.00 0.00 H new ATOM 0 HA LEU B 12 2.310 -7.970 4.415 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -0.007 -7.705 3.608 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -0.191 -6.251 4.570 1.00 0.00 H new ATOM 0 HG LEU B 12 1.339 -5.027 3.211 1.00 0.00 H new ATOM 0 HD11 LEU B 12 2.602 -6.076 1.378 1.00 0.00 H new ATOM 0 HD12 LEU B 12 3.034 -6.777 2.956 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.961 -7.668 1.850 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.320 -5.200 0.986 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.394 -6.767 1.435 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -0.902 -5.284 2.277 1.00 0.00 H new ATOM 1071 N LYS B 13 3.591 -5.939 5.022 1.00 0.00 N ATOM 1072 CA LYS B 13 4.433 -4.842 5.492 1.00 0.00 C ATOM 1073 C LYS B 13 5.232 -4.243 4.338 1.00 0.00 C ATOM 1074 O LYS B 13 5.652 -4.959 3.431 1.00 0.00 O ATOM 1075 CB LYS B 13 5.383 -5.337 6.586 1.00 0.00 C ATOM 1076 CG LYS B 13 4.665 -5.904 7.800 1.00 0.00 C ATOM 1077 CD LYS B 13 5.647 -6.389 8.854 1.00 0.00 C ATOM 1078 CE LYS B 13 4.927 -6.956 10.067 1.00 0.00 C ATOM 1079 NZ LYS B 13 4.056 -8.109 9.708 1.00 0.00 N ATOM 0 H LYS B 13 4.001 -6.495 4.272 1.00 0.00 H new ATOM 0 HA LYS B 13 3.788 -4.067 5.905 1.00 0.00 H new ATOM 0 HB2 LYS B 13 6.037 -6.103 6.169 1.00 0.00 H new ATOM 0 HB3 LYS B 13 6.021 -4.512 6.903 1.00 0.00 H new ATOM 0 HG2 LYS B 13 4.017 -5.140 8.230 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.024 -6.730 7.492 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.296 -7.153 8.425 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.288 -5.563 9.163 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.660 -7.272 10.809 1.00 0.00 H new ATOM 0 HE3 LYS B 13 4.323 -6.175 10.528 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 3.897 -8.699 10.549 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 3.143 -7.758 9.354 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 4.518 -8.677 8.969 1.00 0.00 H new ATOM 1093 N GLY B 14 5.446 -2.929 4.376 1.00 0.00 N ATOM 1094 CA GLY B 14 6.199 -2.284 3.318 1.00 0.00 C ATOM 1095 C GLY B 14 6.347 -0.787 3.512 1.00 0.00 C ATOM 1096 O GLY B 14 6.039 -0.255 4.578 1.00 0.00 O ATOM 0 H GLY B 14 5.114 -2.307 5.113 1.00 0.00 H new ATOM 0 HA2 GLY B 14 7.190 -2.735 3.260 1.00 0.00 H new ATOM 0 HA3 GLY B 14 5.706 -2.473 2.364 1.00 0.00 H new ATOM 1100 N GLU B 15 6.819 -0.113 2.468 1.00 0.00 N ATOM 1101 CA GLU B 15 7.013 1.332 2.503 1.00 0.00 C ATOM 1102 C GLU B 15 6.673 1.949 1.152 1.00 0.00 C ATOM 1103 O GLU B 15 6.956 1.368 0.104 1.00 0.00 O ATOM 1104 CB GLU B 15 8.455 1.667 2.889 1.00 0.00 C ATOM 1105 CG GLU B 15 8.855 1.143 4.260 1.00 0.00 C ATOM 1106 CD GLU B 15 10.286 1.490 4.627 1.00 0.00 C ATOM 1107 OE1 GLU B 15 10.971 2.139 3.809 1.00 0.00 O ATOM 1108 OE2 GLU B 15 10.722 1.109 5.734 1.00 0.00 O ATOM 0 H GLU B 15 7.076 -0.548 1.582 1.00 0.00 H new ATOM 0 HA GLU B 15 6.344 1.751 3.254 1.00 0.00 H new ATOM 0 HB2 GLU B 15 9.129 1.252 2.140 1.00 0.00 H new ATOM 0 HB3 GLU B 15 8.585 2.749 2.870 1.00 0.00 H new ATOM 0 HG2 GLU B 15 8.182 1.555 5.012 1.00 0.00 H new ATOM 0 HG3 GLU B 15 8.732 0.060 4.280 1.00 0.00 H new ATOM 1115 N THR B 16 6.056 3.123 1.184 1.00 0.00 N ATOM 1116 CA THR B 16 5.663 3.819 -0.035 1.00 0.00 C ATOM 1117 C THR B 16 5.850 5.330 0.108 1.00 0.00 C ATOM 1118 O THR B 16 6.111 5.824 1.202 1.00 0.00 O ATOM 1119 CB THR B 16 4.213 3.474 -0.389 1.00 0.00 C ATOM 1120 OG1 THR B 16 3.666 4.446 -1.240 1.00 0.00 O ATOM 1121 CG2 THR B 16 3.306 3.347 0.816 1.00 0.00 C ATOM 0 H THR B 16 5.816 3.615 2.045 1.00 0.00 H new ATOM 0 HA THR B 16 6.308 3.487 -0.848 1.00 0.00 H new ATOM 0 HB THR B 16 4.263 2.502 -0.879 1.00 0.00 H new ATOM 0 HG1 THR B 16 2.804 4.132 -1.584 1.00 0.00 H new ATOM 0 HG21 THR B 16 2.296 3.102 0.487 1.00 0.00 H new ATOM 0 HG22 THR B 16 3.677 2.557 1.469 1.00 0.00 H new ATOM 0 HG23 THR B 16 3.291 4.291 1.361 1.00 0.00 H new ATOM 1129 N THR B 17 5.741 6.058 -1.006 1.00 0.00 N ATOM 1130 CA THR B 17 5.922 7.509 -0.983 1.00 0.00 C ATOM 1131 C THR B 17 4.981 8.239 -1.948 1.00 0.00 C ATOM 1132 O THR B 17 5.009 8.008 -3.158 1.00 0.00 O ATOM 1133 CB THR B 17 7.371 7.863 -1.320 1.00 0.00 C ATOM 1134 OG1 THR B 17 7.734 7.341 -2.587 1.00 0.00 O ATOM 1135 CG2 THR B 17 8.366 7.342 -0.307 1.00 0.00 C ATOM 0 H THR B 17 5.530 5.670 -1.926 1.00 0.00 H new ATOM 0 HA THR B 17 5.677 7.841 0.026 1.00 0.00 H new ATOM 0 HB THR B 17 7.410 8.952 -1.316 1.00 0.00 H new ATOM 0 HG1 THR B 17 6.944 7.311 -3.167 1.00 0.00 H new ATOM 0 HG21 THR B 17 9.374 7.628 -0.607 1.00 0.00 H new ATOM 0 HG22 THR B 17 8.144 7.766 0.672 1.00 0.00 H new ATOM 0 HG23 THR B 17 8.298 6.255 -0.256 1.00 0.00 H new ATOM 1143 N THR B 18 4.171 9.142 -1.397 1.00 0.00 N ATOM 1144 CA THR B 18 3.233 9.942 -2.188 1.00 0.00 C ATOM 1145 C THR B 18 3.745 11.378 -2.303 1.00 0.00 C ATOM 1146 O THR B 18 4.303 11.921 -1.350 1.00 0.00 O ATOM 1147 CB THR B 18 1.848 9.941 -1.535 1.00 0.00 C ATOM 1148 OG1 THR B 18 0.914 10.614 -2.357 1.00 0.00 O ATOM 1149 CG2 THR B 18 1.825 10.605 -0.174 1.00 0.00 C ATOM 0 H THR B 18 4.145 9.340 -0.397 1.00 0.00 H new ATOM 0 HA THR B 18 3.154 9.504 -3.183 1.00 0.00 H new ATOM 0 HB THR B 18 1.585 8.891 -1.410 1.00 0.00 H new ATOM 0 HG1 THR B 18 1.162 10.497 -3.298 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.814 10.569 0.231 1.00 0.00 H new ATOM 0 HG22 THR B 18 2.504 10.081 0.498 1.00 0.00 H new ATOM 0 HG23 THR B 18 2.140 11.644 -0.271 1.00 0.00 H new ATOM 1157 N GLU B 19 3.546 11.991 -3.464 1.00 0.00 N ATOM 1158 CA GLU B 19 3.984 13.367 -3.687 1.00 0.00 C ATOM 1159 C GLU B 19 2.800 14.322 -3.596 1.00 0.00 C ATOM 1160 O GLU B 19 1.888 14.263 -4.422 1.00 0.00 O ATOM 1161 CB GLU B 19 4.658 13.492 -5.055 1.00 0.00 C ATOM 1162 CG GLU B 19 5.126 14.901 -5.382 1.00 0.00 C ATOM 1163 CD GLU B 19 6.157 15.418 -4.396 1.00 0.00 C ATOM 1164 OE1 GLU B 19 7.221 14.778 -4.259 1.00 0.00 O ATOM 1165 OE2 GLU B 19 5.900 16.463 -3.765 1.00 0.00 O ATOM 0 H GLU B 19 3.085 11.559 -4.265 1.00 0.00 H new ATOM 0 HA GLU B 19 4.705 13.632 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU B 19 5.513 12.817 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU B 19 3.960 13.163 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU B 19 5.550 14.915 -6.386 1.00 0.00 H new ATOM 0 HG3 GLU B 19 4.267 15.572 -5.389 1.00 0.00 H new ATOM 1172 N ALA B 20 2.803 15.194 -2.590 1.00 0.00 N ATOM 1173 CA ALA B 20 1.708 16.139 -2.412 1.00 0.00 C ATOM 1174 C ALA B 20 2.176 17.450 -1.779 1.00 0.00 C ATOM 1175 O ALA B 20 3.158 17.487 -1.037 1.00 0.00 O ATOM 1176 CB ALA B 20 0.610 15.504 -1.574 1.00 0.00 C ATOM 0 H ALA B 20 3.544 15.264 -1.893 1.00 0.00 H new ATOM 0 HA ALA B 20 1.316 16.384 -3.399 1.00 0.00 H new ATOM 0 HB1 ALA B 20 -0.206 16.215 -1.444 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.237 14.612 -2.078 1.00 0.00 H new ATOM 0 HB3 ALA B 20 1.010 15.229 -0.598 1.00 0.00 H new ATOM 1182 N VAL B 21 1.469 18.526 -2.111 1.00 0.00 N ATOM 1183 CA VAL B 21 1.794 19.866 -1.619 1.00 0.00 C ATOM 1184 C VAL B 21 1.958 19.902 -0.099 1.00 0.00 C ATOM 1185 O VAL B 21 2.812 20.618 0.424 1.00 0.00 O ATOM 1186 CB VAL B 21 0.704 20.878 -2.022 1.00 0.00 C ATOM 1187 CG1 VAL B 21 1.134 22.296 -1.684 1.00 0.00 C ATOM 1188 CG2 VAL B 21 0.369 20.745 -3.499 1.00 0.00 C ATOM 0 H VAL B 21 0.656 18.497 -2.727 1.00 0.00 H new ATOM 0 HA VAL B 21 2.745 20.138 -2.077 1.00 0.00 H new ATOM 0 HB VAL B 21 -0.198 20.657 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL B 21 0.350 22.994 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL B 21 1.310 22.377 -0.611 1.00 0.00 H new ATOM 0 HG13 VAL B 21 2.052 22.536 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL B 21 -0.403 21.468 -3.764 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.263 20.934 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL B 21 0.006 19.737 -3.700 1.00 0.00 H new ATOM 1198 N ASP B 22 1.141 19.127 0.605 1.00 0.00 N ATOM 1199 CA ASP B 22 1.214 19.080 2.064 1.00 0.00 C ATOM 1200 C ASP B 22 0.897 17.685 2.589 1.00 0.00 C ATOM 1201 O ASP B 22 0.481 16.806 1.835 1.00 0.00 O ATOM 1202 CB ASP B 22 0.270 20.115 2.683 1.00 0.00 C ATOM 1203 CG ASP B 22 -1.190 19.819 2.409 1.00 0.00 C ATOM 1204 OD1 ASP B 22 -1.685 18.789 2.904 1.00 0.00 O ATOM 1205 OD2 ASP B 22 -1.834 20.618 1.697 1.00 0.00 O ATOM 0 H ASP B 22 0.425 18.527 0.195 1.00 0.00 H new ATOM 0 HA ASP B 22 2.236 19.322 2.356 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.433 20.149 3.760 1.00 0.00 H new ATOM 0 HB3 ASP B 22 0.515 21.103 2.292 1.00 0.00 H new ATOM 1210 N ALA B 23 1.108 17.487 3.888 1.00 0.00 N ATOM 1211 CA ALA B 23 0.858 16.195 4.517 1.00 0.00 C ATOM 1212 C ALA B 23 -0.581 15.745 4.319 1.00 0.00 C ATOM 1213 O ALA B 23 -0.837 14.579 4.023 1.00 0.00 O ATOM 1214 CB ALA B 23 1.199 16.252 5.999 1.00 0.00 C ATOM 0 H ALA B 23 1.452 18.206 4.525 1.00 0.00 H new ATOM 0 HA ALA B 23 1.503 15.461 4.034 1.00 0.00 H new ATOM 0 HB1 ALA B 23 1.007 15.280 6.454 1.00 0.00 H new ATOM 0 HB2 ALA B 23 2.251 16.508 6.121 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.583 17.008 6.485 1.00 0.00 H new ATOM 1220 N ALA B 24 -1.517 16.669 4.473 1.00 0.00 N ATOM 1221 CA ALA B 24 -2.925 16.348 4.295 1.00 0.00 C ATOM 1222 C ALA B 24 -3.183 15.909 2.864 1.00 0.00 C ATOM 1223 O ALA B 24 -3.699 14.818 2.623 1.00 0.00 O ATOM 1224 CB ALA B 24 -3.800 17.538 4.664 1.00 0.00 C ATOM 0 H ALA B 24 -1.329 17.641 4.719 1.00 0.00 H new ATOM 0 HA ALA B 24 -3.182 15.525 4.961 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -4.849 17.276 4.523 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.629 17.806 5.707 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -3.549 18.386 4.026 1.00 0.00 H new ATOM 1230 N THR B 25 -2.790 16.748 1.910 1.00 0.00 N ATOM 1231 CA THR B 25 -2.951 16.423 0.506 1.00 0.00 C ATOM 1232 C THR B 25 -2.333 15.062 0.236 1.00 0.00 C ATOM 1233 O THR B 25 -2.944 14.202 -0.398 1.00 0.00 O ATOM 1234 CB THR B 25 -2.291 17.493 -0.362 1.00 0.00 C ATOM 1235 OG1 THR B 25 -0.915 17.607 -0.061 1.00 0.00 O ATOM 1236 CG2 THR B 25 -2.913 18.863 -0.207 1.00 0.00 C ATOM 0 H THR B 25 -2.359 17.655 2.088 1.00 0.00 H new ATOM 0 HA THR B 25 -4.012 16.391 0.258 1.00 0.00 H new ATOM 0 HB THR B 25 -2.443 17.161 -1.389 1.00 0.00 H new ATOM 0 HG1 THR B 25 -0.770 17.408 0.888 1.00 0.00 H new ATOM 0 HG21 THR B 25 -2.395 19.573 -0.852 1.00 0.00 H new ATOM 0 HG22 THR B 25 -3.965 18.819 -0.488 1.00 0.00 H new ATOM 0 HG23 THR B 25 -2.827 19.186 0.830 1.00 0.00 H new ATOM 1244 N ALA B 26 -1.128 14.862 0.763 1.00 0.00 N ATOM 1245 CA ALA B 26 -0.444 13.589 0.619 1.00 0.00 C ATOM 1246 C ALA B 26 -1.294 12.494 1.241 1.00 0.00 C ATOM 1247 O ALA B 26 -1.616 11.498 0.595 1.00 0.00 O ATOM 1248 CB ALA B 26 0.932 13.640 1.269 1.00 0.00 C ATOM 0 H ALA B 26 -0.610 15.565 1.291 1.00 0.00 H new ATOM 0 HA ALA B 26 -0.301 13.375 -0.440 1.00 0.00 H new ATOM 0 HB1 ALA B 26 1.427 12.676 1.149 1.00 0.00 H new ATOM 0 HB2 ALA B 26 1.531 14.417 0.793 1.00 0.00 H new ATOM 0 HB3 ALA B 26 0.825 13.864 2.330 1.00 0.00 H new ATOM 1254 N GLU B 27 -1.676 12.701 2.503 1.00 0.00 N ATOM 1255 CA GLU B 27 -2.512 11.749 3.217 1.00 0.00 C ATOM 1256 C GLU B 27 -3.741 11.389 2.388 1.00 0.00 C ATOM 1257 O GLU B 27 -4.055 10.212 2.209 1.00 0.00 O ATOM 1258 CB GLU B 27 -2.945 12.336 4.563 1.00 0.00 C ATOM 1259 CG GLU B 27 -3.834 11.410 5.376 1.00 0.00 C ATOM 1260 CD GLU B 27 -4.244 12.011 6.708 1.00 0.00 C ATOM 1261 OE1 GLU B 27 -3.828 13.152 7.001 1.00 0.00 O ATOM 1262 OE2 GLU B 27 -4.981 11.339 7.460 1.00 0.00 O ATOM 0 H GLU B 27 -1.416 13.523 3.048 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.932 10.843 3.392 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -2.057 12.577 5.147 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -3.475 13.272 4.387 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -4.728 11.172 4.799 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -3.309 10.471 5.552 1.00 0.00 H new ATOM 1269 N LYS B 28 -4.422 12.411 1.874 1.00 0.00 N ATOM 1270 CA LYS B 28 -5.610 12.204 1.052 1.00 0.00 C ATOM 1271 C LYS B 28 -5.275 11.359 -0.168 1.00 0.00 C ATOM 1272 O LYS B 28 -6.038 10.470 -0.549 1.00 0.00 O ATOM 1273 CB LYS B 28 -6.196 13.546 0.612 1.00 0.00 C ATOM 1274 CG LYS B 28 -6.700 14.398 1.763 1.00 0.00 C ATOM 1275 CD LYS B 28 -7.772 13.672 2.558 1.00 0.00 C ATOM 1276 CE LYS B 28 -8.284 14.522 3.711 1.00 0.00 C ATOM 1277 NZ LYS B 28 -7.200 14.874 4.672 1.00 0.00 N ATOM 0 H LYS B 28 -4.171 13.390 2.013 1.00 0.00 H new ATOM 0 HA LYS B 28 -6.351 11.676 1.651 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -5.435 14.103 0.065 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -7.018 13.364 -0.081 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -5.869 14.655 2.419 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -7.102 15.334 1.376 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.601 13.413 1.900 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.368 12.737 2.946 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.730 15.435 3.317 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.073 13.983 4.236 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -7.619 15.258 5.543 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -6.648 14.023 4.899 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -6.576 15.588 4.245 1.00 0.00 H new ATOM 1291 N VAL B 29 -4.125 11.635 -0.772 1.00 0.00 N ATOM 1292 CA VAL B 29 -3.686 10.893 -1.944 1.00 0.00 C ATOM 1293 C VAL B 29 -3.624 9.405 -1.638 1.00 0.00 C ATOM 1294 O VAL B 29 -4.017 8.572 -2.455 1.00 0.00 O ATOM 1295 CB VAL B 29 -2.305 11.376 -2.432 1.00 0.00 C ATOM 1296 CG1 VAL B 29 -1.870 10.602 -3.666 1.00 0.00 C ATOM 1297 CG2 VAL B 29 -2.330 12.872 -2.714 1.00 0.00 C ATOM 0 H VAL B 29 -3.482 12.366 -0.469 1.00 0.00 H new ATOM 0 HA VAL B 29 -4.414 11.071 -2.736 1.00 0.00 H new ATOM 0 HB VAL B 29 -1.578 11.190 -1.641 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -0.893 10.959 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -1.807 9.541 -3.426 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -2.597 10.751 -4.464 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -1.347 13.194 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -3.071 13.085 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -2.590 13.410 -1.802 1.00 0.00 H new ATOM 1307 N VAL B 30 -3.152 9.079 -0.442 1.00 0.00 N ATOM 1308 CA VAL B 30 -3.067 7.692 -0.016 1.00 0.00 C ATOM 1309 C VAL B 30 -4.468 7.089 0.045 1.00 0.00 C ATOM 1310 O VAL B 30 -4.710 6.001 -0.472 1.00 0.00 O ATOM 1311 CB VAL B 30 -2.393 7.570 1.363 1.00 0.00 C ATOM 1312 CG1 VAL B 30 -2.271 6.110 1.774 1.00 0.00 C ATOM 1313 CG2 VAL B 30 -1.029 8.242 1.351 1.00 0.00 C ATOM 0 H VAL B 30 -2.823 9.755 0.247 1.00 0.00 H new ATOM 0 HA VAL B 30 -2.459 7.150 -0.741 1.00 0.00 H new ATOM 0 HB VAL B 30 -3.018 8.078 2.097 1.00 0.00 H new ATOM 0 HG11 VAL B 30 -1.792 6.046 2.751 1.00 0.00 H new ATOM 0 HG12 VAL B 30 -3.264 5.663 1.826 1.00 0.00 H new ATOM 0 HG13 VAL B 30 -1.670 5.574 1.039 1.00 0.00 H new ATOM 0 HG21 VAL B 30 -0.567 8.146 2.334 1.00 0.00 H new ATOM 0 HG22 VAL B 30 -0.395 7.765 0.604 1.00 0.00 H new ATOM 0 HG23 VAL B 30 -1.146 9.298 1.107 1.00 0.00 H new ATOM 1323 N LYS B 31 -5.399 7.817 0.672 1.00 0.00 N ATOM 1324 CA LYS B 31 -6.781 7.356 0.780 1.00 0.00 C ATOM 1325 C LYS B 31 -7.316 6.948 -0.584 1.00 0.00 C ATOM 1326 O LYS B 31 -7.894 5.874 -0.743 1.00 0.00 O ATOM 1327 CB LYS B 31 -7.681 8.436 1.388 1.00 0.00 C ATOM 1328 CG LYS B 31 -7.586 8.533 2.902 1.00 0.00 C ATOM 1329 CD LYS B 31 -6.209 8.988 3.353 1.00 0.00 C ATOM 1330 CE LYS B 31 -6.090 8.984 4.869 1.00 0.00 C ATOM 1331 NZ LYS B 31 -7.056 9.922 5.505 1.00 0.00 N ATOM 0 H LYS B 31 -5.219 8.721 1.108 1.00 0.00 H new ATOM 0 HA LYS B 31 -6.789 6.489 1.441 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -7.419 9.401 0.954 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -8.715 8.232 1.110 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -8.338 9.231 3.269 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -7.810 7.562 3.343 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -5.450 8.333 2.926 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -6.014 9.991 2.974 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -6.263 7.975 5.244 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -5.075 9.260 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -6.561 10.507 6.208 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -7.474 10.536 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -7.809 9.379 5.975 1.00 0.00 H new ATOM 1345 N GLN B 32 -7.097 7.805 -1.575 1.00 0.00 N ATOM 1346 CA GLN B 32 -7.536 7.520 -2.931 1.00 0.00 C ATOM 1347 C GLN B 32 -6.781 6.308 -3.459 1.00 0.00 C ATOM 1348 O GLN B 32 -7.349 5.447 -4.132 1.00 0.00 O ATOM 1349 CB GLN B 32 -7.320 8.749 -3.827 1.00 0.00 C ATOM 1350 CG GLN B 32 -7.602 8.509 -5.308 1.00 0.00 C ATOM 1351 CD GLN B 32 -6.514 7.729 -6.044 1.00 0.00 C ATOM 1352 OE1 GLN B 32 -6.731 7.276 -7.168 1.00 0.00 O ATOM 1353 NE2 GLN B 32 -5.331 7.589 -5.444 1.00 0.00 N ATOM 0 H GLN B 32 -6.619 8.699 -1.463 1.00 0.00 H new ATOM 0 HA GLN B 32 -8.602 7.293 -2.934 1.00 0.00 H new ATOM 0 HB2 GLN B 32 -7.961 9.557 -3.474 1.00 0.00 H new ATOM 0 HB3 GLN B 32 -6.290 9.087 -3.716 1.00 0.00 H new ATOM 0 HG2 GLN B 32 -8.544 7.969 -5.402 1.00 0.00 H new ATOM 0 HG3 GLN B 32 -7.736 9.473 -5.800 1.00 0.00 H new ATOM 0 HE21 GLN B 32 -5.183 7.976 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN B 32 -4.574 7.095 -5.917 1.00 0.00 H new ATOM 1362 N PHE B 33 -5.494 6.247 -3.131 1.00 0.00 N ATOM 1363 CA PHE B 33 -4.636 5.145 -3.547 1.00 0.00 C ATOM 1364 C PHE B 33 -5.247 3.808 -3.131 1.00 0.00 C ATOM 1365 O PHE B 33 -5.527 2.949 -3.966 1.00 0.00 O ATOM 1366 CB PHE B 33 -3.247 5.311 -2.918 1.00 0.00 C ATOM 1367 CG PHE B 33 -2.214 4.388 -3.488 1.00 0.00 C ATOM 1368 CD1 PHE B 33 -1.914 4.432 -4.837 1.00 0.00 C ATOM 1369 CD2 PHE B 33 -1.554 3.466 -2.684 1.00 0.00 C ATOM 1370 CE1 PHE B 33 -0.976 3.575 -5.379 1.00 0.00 C ATOM 1371 CE2 PHE B 33 -0.612 2.611 -3.223 1.00 0.00 C ATOM 1372 CZ PHE B 33 -0.325 2.668 -4.574 1.00 0.00 C ATOM 0 H PHE B 33 -5.019 6.956 -2.572 1.00 0.00 H new ATOM 0 HA PHE B 33 -4.543 5.157 -4.633 1.00 0.00 H new ATOM 0 HB2 PHE B 33 -2.917 6.341 -3.055 1.00 0.00 H new ATOM 0 HB3 PHE B 33 -3.321 5.140 -1.844 1.00 0.00 H new ATOM 0 HD1 PHE B 33 -2.418 5.144 -5.474 1.00 0.00 H new ATOM 0 HD2 PHE B 33 -1.779 3.418 -1.629 1.00 0.00 H new ATOM 0 HE1 PHE B 33 -0.753 3.617 -6.435 1.00 0.00 H new ATOM 0 HE2 PHE B 33 -0.101 1.900 -2.590 1.00 0.00 H new ATOM 0 HZ PHE B 33 0.410 2.000 -4.998 1.00 0.00 H new ATOM 1382 N PHE B 34 -5.459 3.658 -1.832 1.00 0.00 N ATOM 1383 CA PHE B 34 -6.046 2.440 -1.284 1.00 0.00 C ATOM 1384 C PHE B 34 -7.515 2.328 -1.664 1.00 0.00 C ATOM 1385 O PHE B 34 -8.003 1.245 -1.980 1.00 0.00 O ATOM 1386 CB PHE B 34 -5.841 2.392 0.226 1.00 0.00 C ATOM 1387 CG PHE B 34 -4.386 2.375 0.585 1.00 0.00 C ATOM 1388 CD1 PHE B 34 -3.506 1.573 -0.126 1.00 0.00 C ATOM 1389 CD2 PHE B 34 -3.891 3.168 1.603 1.00 0.00 C ATOM 1390 CE1 PHE B 34 -2.162 1.564 0.172 1.00 0.00 C ATOM 1391 CE2 PHE B 34 -2.545 3.160 1.908 1.00 0.00 C ATOM 1392 CZ PHE B 34 -1.681 2.357 1.189 1.00 0.00 C ATOM 0 H PHE B 34 -5.233 4.366 -1.134 1.00 0.00 H new ATOM 0 HA PHE B 34 -5.539 1.577 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE B 34 -6.320 3.256 0.686 1.00 0.00 H new ATOM 0 HB3 PHE B 34 -6.327 1.505 0.632 1.00 0.00 H new ATOM 0 HD1 PHE B 34 -3.880 0.948 -0.923 1.00 0.00 H new ATOM 0 HD2 PHE B 34 -4.563 3.799 2.165 1.00 0.00 H new ATOM 0 HE1 PHE B 34 -1.487 0.936 -0.391 1.00 0.00 H new ATOM 0 HE2 PHE B 34 -2.168 3.780 2.707 1.00 0.00 H new ATOM 0 HZ PHE B 34 -0.627 2.351 1.425 1.00 0.00 H new ATOM 1402 N ASN B 35 -8.209 3.456 -1.661 1.00 0.00 N ATOM 1403 CA ASN B 35 -9.617 3.486 -2.038 1.00 0.00 C ATOM 1404 C ASN B 35 -9.813 2.801 -3.391 1.00 0.00 C ATOM 1405 O ASN B 35 -10.802 2.103 -3.616 1.00 0.00 O ATOM 1406 CB ASN B 35 -10.102 4.935 -2.120 1.00 0.00 C ATOM 1407 CG ASN B 35 -11.511 5.054 -2.671 1.00 0.00 C ATOM 1408 OD1 ASN B 35 -11.805 4.584 -3.770 1.00 0.00 O ATOM 1409 ND2 ASN B 35 -12.384 5.697 -1.913 1.00 0.00 N ATOM 0 H ASN B 35 -7.822 4.363 -1.402 1.00 0.00 H new ATOM 0 HA ASN B 35 -10.196 2.954 -1.283 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -10.067 5.382 -1.126 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -9.421 5.506 -2.751 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -13.345 5.819 -2.233 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -12.096 6.070 -1.008 1.00 0.00 H new ATOM 1416 N ASP B 36 -8.858 3.028 -4.284 1.00 0.00 N ATOM 1417 CA ASP B 36 -8.904 2.458 -5.627 1.00 0.00 C ATOM 1418 C ASP B 36 -8.139 1.139 -5.728 1.00 0.00 C ATOM 1419 O ASP B 36 -8.441 0.313 -6.589 1.00 0.00 O ATOM 1420 CB ASP B 36 -8.356 3.459 -6.645 1.00 0.00 C ATOM 1421 CG ASP B 36 -9.162 4.742 -6.682 1.00 0.00 C ATOM 1422 OD1 ASP B 36 -10.373 4.675 -6.977 1.00 0.00 O ATOM 1423 OD2 ASP B 36 -8.581 5.815 -6.415 1.00 0.00 O ATOM 0 H ASP B 36 -8.037 3.606 -4.102 1.00 0.00 H new ATOM 0 HA ASP B 36 -9.950 2.244 -5.848 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -7.319 3.691 -6.401 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -8.356 3.004 -7.635 1.00 0.00 H new ATOM 1428 N ASN B 37 -7.165 0.925 -4.847 1.00 0.00 N ATOM 1429 CA ASN B 37 -6.403 -0.321 -4.867 1.00 0.00 C ATOM 1430 C ASN B 37 -7.208 -1.424 -4.201 1.00 0.00 C ATOM 1431 O ASN B 37 -7.312 -2.534 -4.722 1.00 0.00 O ATOM 1432 CB ASN B 37 -5.060 -0.172 -4.149 1.00 0.00 C ATOM 1433 CG ASN B 37 -4.139 0.825 -4.814 1.00 0.00 C ATOM 1434 OD1 ASN B 37 -4.081 0.915 -6.040 1.00 0.00 O ATOM 1435 ND2 ASN B 37 -3.388 1.563 -4.004 1.00 0.00 N ATOM 0 H ASN B 37 -6.888 1.586 -4.121 1.00 0.00 H new ATOM 0 HA ASN B 37 -6.206 -0.575 -5.909 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -5.238 0.138 -3.119 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -4.566 -1.143 -4.109 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -2.730 2.238 -4.393 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -3.470 1.455 -2.993 1.00 0.00 H new ATOM 1442 N GLY B 38 -7.766 -1.079 -3.040 1.00 0.00 N ATOM 1443 CA GLY B 38 -8.577 -1.982 -2.238 1.00 0.00 C ATOM 1444 C GLY B 38 -8.913 -3.315 -2.883 1.00 0.00 C ATOM 1445 O GLY B 38 -8.033 -4.133 -3.153 1.00 0.00 O ATOM 0 H GLY B 38 -7.663 -0.151 -2.629 1.00 0.00 H new ATOM 0 HA2 GLY B 38 -8.055 -2.174 -1.301 1.00 0.00 H new ATOM 0 HA3 GLY B 38 -9.509 -1.476 -1.986 1.00 0.00 H new ATOM 1449 N VAL B 39 -10.206 -3.551 -3.062 1.00 0.00 N ATOM 1450 CA VAL B 39 -10.694 -4.812 -3.608 1.00 0.00 C ATOM 1451 C VAL B 39 -11.311 -4.676 -4.997 1.00 0.00 C ATOM 1452 O VAL B 39 -11.841 -5.650 -5.533 1.00 0.00 O ATOM 1453 CB VAL B 39 -11.754 -5.403 -2.675 1.00 0.00 C ATOM 1454 CG1 VAL B 39 -12.205 -6.777 -3.151 1.00 0.00 C ATOM 1455 CG2 VAL B 39 -11.234 -5.464 -1.248 1.00 0.00 C ATOM 0 H VAL B 39 -10.941 -2.881 -2.835 1.00 0.00 H new ATOM 0 HA VAL B 39 -9.823 -5.461 -3.692 1.00 0.00 H new ATOM 0 HB VAL B 39 -12.624 -4.747 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -12.958 -7.170 -2.468 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -12.631 -6.694 -4.151 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -11.350 -7.452 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -12.001 -5.887 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -10.343 -6.090 -1.212 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -10.985 -4.459 -0.908 1.00 0.00 H new ATOM 1465 N ASP B 40 -11.250 -3.497 -5.590 1.00 0.00 N ATOM 1466 CA ASP B 40 -11.820 -3.299 -6.921 1.00 0.00 C ATOM 1467 C ASP B 40 -10.789 -2.728 -7.897 1.00 0.00 C ATOM 1468 O ASP B 40 -11.134 -2.334 -9.010 1.00 0.00 O ATOM 1469 CB ASP B 40 -13.032 -2.369 -6.843 1.00 0.00 C ATOM 1470 CG ASP B 40 -14.129 -2.916 -5.950 1.00 0.00 C ATOM 1471 OD1 ASP B 40 -13.947 -4.018 -5.391 1.00 0.00 O ATOM 1472 OD2 ASP B 40 -15.171 -2.243 -5.810 1.00 0.00 O ATOM 0 H ASP B 40 -10.818 -2.668 -5.181 1.00 0.00 H new ATOM 0 HA ASP B 40 -12.133 -4.274 -7.295 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -12.715 -1.396 -6.469 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -13.429 -2.211 -7.846 1.00 0.00 H new ATOM 1477 N GLY B 41 -9.527 -2.676 -7.474 1.00 0.00 N ATOM 1478 CA GLY B 41 -8.481 -2.142 -8.330 1.00 0.00 C ATOM 1479 C GLY B 41 -7.925 -3.173 -9.295 1.00 0.00 C ATOM 1480 O GLY B 41 -8.347 -4.329 -9.290 1.00 0.00 O ATOM 0 H GLY B 41 -9.212 -2.993 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY B 41 -8.877 -1.298 -8.896 1.00 0.00 H new ATOM 0 HA3 GLY B 41 -7.671 -1.758 -7.710 1.00 0.00 H new ATOM 1484 N GLU B 42 -6.973 -2.750 -10.122 1.00 0.00 N ATOM 1485 CA GLU B 42 -6.352 -3.642 -11.097 1.00 0.00 C ATOM 1486 C GLU B 42 -4.874 -3.848 -10.778 1.00 0.00 C ATOM 1487 O GLU B 42 -4.087 -2.899 -10.789 1.00 0.00 O ATOM 1488 CB GLU B 42 -6.509 -3.078 -12.511 1.00 0.00 C ATOM 1489 CG GLU B 42 -7.956 -2.912 -12.942 1.00 0.00 C ATOM 1490 CD GLU B 42 -8.089 -2.360 -14.348 1.00 0.00 C ATOM 1491 OE1 GLU B 42 -7.046 -2.104 -14.988 1.00 0.00 O ATOM 1492 OE2 GLU B 42 -9.235 -2.182 -14.811 1.00 0.00 O ATOM 0 H GLU B 42 -6.615 -1.795 -10.137 1.00 0.00 H new ATOM 0 HA GLU B 42 -6.856 -4.607 -11.043 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -6.009 -2.111 -12.565 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -6.002 -3.738 -13.215 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -8.460 -3.877 -12.886 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -8.464 -2.246 -12.245 1.00 0.00 H new ATOM 1499 N TRP B 43 -4.503 -5.092 -10.495 1.00 0.00 N ATOM 1500 CA TRP B 43 -3.118 -5.419 -10.175 1.00 0.00 C ATOM 1501 C TRP B 43 -2.567 -6.460 -11.148 1.00 0.00 C ATOM 1502 O TRP B 43 -3.290 -7.351 -11.590 1.00 0.00 O ATOM 1503 CB TRP B 43 -2.994 -5.990 -8.757 1.00 0.00 C ATOM 1504 CG TRP B 43 -3.723 -5.240 -7.680 1.00 0.00 C ATOM 1505 CD1 TRP B 43 -4.321 -4.009 -7.751 1.00 0.00 C ATOM 1506 CD2 TRP B 43 -3.921 -5.701 -6.342 1.00 0.00 C ATOM 1507 NE1 TRP B 43 -4.884 -3.690 -6.534 1.00 0.00 N ATOM 1508 CE2 TRP B 43 -4.648 -4.714 -5.657 1.00 0.00 C ATOM 1509 CE3 TRP B 43 -3.551 -6.861 -5.659 1.00 0.00 C ATOM 1510 CZ2 TRP B 43 -5.014 -4.852 -4.321 1.00 0.00 C ATOM 1511 CZ3 TRP B 43 -3.912 -6.998 -4.335 1.00 0.00 C ATOM 1512 CH2 TRP B 43 -4.639 -5.998 -3.676 1.00 0.00 C ATOM 0 H TRP B 43 -5.140 -5.889 -10.481 1.00 0.00 H new ATOM 0 HA TRP B 43 -2.550 -4.492 -10.251 1.00 0.00 H new ATOM 0 HB2 TRP B 43 -3.358 -7.017 -8.767 1.00 0.00 H new ATOM 0 HB3 TRP B 43 -1.937 -6.029 -8.493 1.00 0.00 H new ATOM 0 HD1 TRP B 43 -4.347 -3.382 -8.630 1.00 0.00 H new ATOM 0 HE1 TRP B 43 -5.393 -2.832 -6.322 1.00 0.00 H new ATOM 0 HE3 TRP B 43 -2.992 -7.638 -6.159 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 -5.574 -4.081 -3.812 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 -3.630 -7.891 -3.797 1.00 0.00 H new ATOM 0 HH2 TRP B 43 -4.908 -6.135 -2.639 1.00 0.00 H new ATOM 1523 N THR B 44 -1.277 -6.359 -11.448 1.00 0.00 N ATOM 1524 CA THR B 44 -0.620 -7.312 -12.338 1.00 0.00 C ATOM 1525 C THR B 44 0.435 -8.093 -11.560 1.00 0.00 C ATOM 1526 O THR B 44 1.101 -7.543 -10.683 1.00 0.00 O ATOM 1527 CB THR B 44 0.015 -6.595 -13.530 1.00 0.00 C ATOM 1528 OG1 THR B 44 0.945 -5.622 -13.094 1.00 0.00 O ATOM 1529 CG2 THR B 44 -0.994 -5.899 -14.418 1.00 0.00 C ATOM 0 H THR B 44 -0.664 -5.627 -11.088 1.00 0.00 H new ATOM 0 HA THR B 44 -1.367 -8.005 -12.725 1.00 0.00 H new ATOM 0 HB THR B 44 0.505 -7.378 -14.108 1.00 0.00 H new ATOM 0 HG1 THR B 44 1.616 -6.045 -12.518 1.00 0.00 H new ATOM 0 HG21 THR B 44 -0.476 -5.411 -15.244 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.697 -6.632 -14.813 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.536 -5.152 -13.837 1.00 0.00 H new ATOM 1537 N TYR B 45 0.577 -9.381 -11.865 1.00 0.00 N ATOM 1538 CA TYR B 45 1.542 -10.223 -11.164 1.00 0.00 C ATOM 1539 C TYR B 45 2.714 -10.602 -12.066 1.00 0.00 C ATOM 1540 O TYR B 45 2.546 -10.811 -13.268 1.00 0.00 O ATOM 1541 CB TYR B 45 0.854 -11.485 -10.642 1.00 0.00 C ATOM 1542 CG TYR B 45 1.736 -12.348 -9.769 1.00 0.00 C ATOM 1543 CD1 TYR B 45 2.631 -11.778 -8.871 1.00 0.00 C ATOM 1544 CD2 TYR B 45 1.670 -13.735 -9.835 1.00 0.00 C ATOM 1545 CE1 TYR B 45 3.435 -12.563 -8.069 1.00 0.00 C ATOM 1546 CE2 TYR B 45 2.472 -14.527 -9.035 1.00 0.00 C ATOM 1547 CZ TYR B 45 3.353 -13.936 -8.154 1.00 0.00 C ATOM 1548 OH TYR B 45 4.151 -14.722 -7.356 1.00 0.00 O ATOM 0 H TYR B 45 0.040 -9.861 -12.587 1.00 0.00 H new ATOM 0 HA TYR B 45 1.937 -9.651 -10.324 1.00 0.00 H new ATOM 0 HB2 TYR B 45 -0.031 -11.196 -10.075 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.509 -12.076 -11.490 1.00 0.00 H new ATOM 0 HD1 TYR B 45 2.699 -10.702 -8.799 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.980 -14.202 -10.523 1.00 0.00 H new ATOM 0 HE1 TYR B 45 4.126 -12.103 -7.378 1.00 0.00 H new ATOM 0 HE2 TYR B 45 2.409 -15.603 -9.100 1.00 0.00 H new ATOM 0 HH TYR B 45 4.027 -14.468 -6.418 1.00 0.00 H new ATOM 1558 N ASP B 46 3.900 -10.693 -11.471 1.00 0.00 N ATOM 1559 CA ASP B 46 5.107 -11.052 -12.207 1.00 0.00 C ATOM 1560 C ASP B 46 5.768 -12.283 -11.588 1.00 0.00 C ATOM 1561 O ASP B 46 6.697 -12.165 -10.790 1.00 0.00 O ATOM 1562 CB ASP B 46 6.090 -9.881 -12.218 1.00 0.00 C ATOM 1563 CG ASP B 46 7.359 -10.191 -12.989 1.00 0.00 C ATOM 1564 OD1 ASP B 46 7.475 -11.318 -13.517 1.00 0.00 O ATOM 1565 OD2 ASP B 46 8.238 -9.307 -13.067 1.00 0.00 O ATOM 0 H ASP B 46 4.051 -10.522 -10.477 1.00 0.00 H new ATOM 0 HA ASP B 46 4.825 -11.287 -13.233 1.00 0.00 H new ATOM 0 HB2 ASP B 46 5.606 -9.009 -12.658 1.00 0.00 H new ATOM 0 HB3 ASP B 46 6.348 -9.618 -11.192 1.00 0.00 H new ATOM 1570 N ASP B 47 5.275 -13.463 -11.956 1.00 0.00 N ATOM 1571 CA ASP B 47 5.808 -14.722 -11.436 1.00 0.00 C ATOM 1572 C ASP B 47 7.335 -14.742 -11.458 1.00 0.00 C ATOM 1573 O ASP B 47 7.972 -15.280 -10.552 1.00 0.00 O ATOM 1574 CB ASP B 47 5.269 -15.898 -12.251 1.00 0.00 C ATOM 1575 CG ASP B 47 3.756 -15.987 -12.214 1.00 0.00 C ATOM 1576 OD1 ASP B 47 3.200 -16.154 -11.110 1.00 0.00 O ATOM 1577 OD2 ASP B 47 3.129 -15.889 -13.289 1.00 0.00 O ATOM 0 H ASP B 47 4.504 -13.575 -12.615 1.00 0.00 H new ATOM 0 HA ASP B 47 5.483 -14.812 -10.399 1.00 0.00 H new ATOM 0 HB2 ASP B 47 5.598 -15.800 -13.285 1.00 0.00 H new ATOM 0 HB3 ASP B 47 5.694 -16.826 -11.868 1.00 0.00 H new ATOM 1582 N ALA B 48 7.917 -14.167 -12.505 1.00 0.00 N ATOM 1583 CA ALA B 48 9.369 -14.130 -12.660 1.00 0.00 C ATOM 1584 C ALA B 48 10.065 -13.623 -11.399 1.00 0.00 C ATOM 1585 O ALA B 48 11.183 -14.038 -11.090 1.00 0.00 O ATOM 1586 CB ALA B 48 9.748 -13.266 -13.852 1.00 0.00 C ATOM 0 H ALA B 48 7.403 -13.718 -13.263 1.00 0.00 H new ATOM 0 HA ALA B 48 9.706 -15.152 -12.833 1.00 0.00 H new ATOM 0 HB1 ALA B 48 10.833 -13.246 -13.957 1.00 0.00 H new ATOM 0 HB2 ALA B 48 9.303 -13.680 -14.757 1.00 0.00 H new ATOM 0 HB3 ALA B 48 9.380 -12.252 -13.698 1.00 0.00 H new ATOM 1592 N THR B 49 9.407 -12.724 -10.675 1.00 0.00 N ATOM 1593 CA THR B 49 9.981 -12.169 -9.453 1.00 0.00 C ATOM 1594 C THR B 49 9.017 -12.285 -8.273 1.00 0.00 C ATOM 1595 O THR B 49 9.222 -11.661 -7.232 1.00 0.00 O ATOM 1596 CB THR B 49 10.362 -10.702 -9.667 1.00 0.00 C ATOM 1597 OG1 THR B 49 9.225 -9.937 -10.023 1.00 0.00 O ATOM 1598 CG2 THR B 49 11.404 -10.506 -10.748 1.00 0.00 C ATOM 0 H THR B 49 8.482 -12.365 -10.910 1.00 0.00 H new ATOM 0 HA THR B 49 10.874 -12.748 -9.217 1.00 0.00 H new ATOM 0 HB THR B 49 10.781 -10.370 -8.717 1.00 0.00 H new ATOM 0 HG1 THR B 49 9.159 -9.883 -10.999 1.00 0.00 H new ATOM 0 HG21 THR B 49 11.629 -9.444 -10.849 1.00 0.00 H new ATOM 0 HG22 THR B 49 12.312 -11.045 -10.480 1.00 0.00 H new ATOM 0 HG23 THR B 49 11.022 -10.887 -11.695 1.00 0.00 H new ATOM 1606 N LYS B 50 7.962 -13.083 -8.437 1.00 0.00 N ATOM 1607 CA LYS B 50 6.973 -13.266 -7.376 1.00 0.00 C ATOM 1608 C LYS B 50 6.538 -11.922 -6.798 1.00 0.00 C ATOM 1609 O LYS B 50 6.335 -11.788 -5.590 1.00 0.00 O ATOM 1610 CB LYS B 50 7.539 -14.149 -6.271 1.00 0.00 C ATOM 1611 CG LYS B 50 7.894 -15.546 -6.745 1.00 0.00 C ATOM 1612 CD LYS B 50 7.448 -16.601 -5.750 1.00 0.00 C ATOM 1613 CE LYS B 50 8.243 -16.536 -4.453 1.00 0.00 C ATOM 1614 NZ LYS B 50 7.994 -15.276 -3.696 1.00 0.00 N ATOM 0 H LYS B 50 7.771 -13.610 -9.289 1.00 0.00 H new ATOM 0 HA LYS B 50 6.100 -13.754 -7.809 1.00 0.00 H new ATOM 0 HB2 LYS B 50 8.429 -13.676 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS B 50 6.811 -14.221 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS B 50 7.425 -15.734 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS B 50 8.971 -15.618 -6.895 1.00 0.00 H new ATOM 0 HD2 LYS B 50 6.388 -16.469 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS B 50 7.561 -17.590 -6.195 1.00 0.00 H new ATOM 0 HE2 LYS B 50 7.983 -17.390 -3.827 1.00 0.00 H new ATOM 0 HE3 LYS B 50 9.307 -16.618 -4.677 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 8.104 -15.455 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 8.676 -14.551 -3.995 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 7.028 -14.942 -3.886 1.00 0.00 H new ATOM 1628 N THR B 51 6.412 -10.925 -7.668 1.00 0.00 N ATOM 1629 CA THR B 51 6.017 -9.590 -7.245 1.00 0.00 C ATOM 1630 C THR B 51 4.746 -9.136 -7.956 1.00 0.00 C ATOM 1631 O THR B 51 4.561 -9.384 -9.147 1.00 0.00 O ATOM 1632 CB THR B 51 7.150 -8.598 -7.517 1.00 0.00 C ATOM 1633 OG1 THR B 51 8.319 -8.967 -6.807 1.00 0.00 O ATOM 1634 CG2 THR B 51 6.810 -7.174 -7.131 1.00 0.00 C ATOM 0 H THR B 51 6.578 -11.018 -8.670 1.00 0.00 H new ATOM 0 HA THR B 51 5.812 -9.622 -6.175 1.00 0.00 H new ATOM 0 HB THR B 51 7.311 -8.635 -8.594 1.00 0.00 H new ATOM 0 HG1 THR B 51 8.583 -9.876 -7.062 1.00 0.00 H new ATOM 0 HG21 THR B 51 7.658 -6.525 -7.351 1.00 0.00 H new ATOM 0 HG22 THR B 51 5.941 -6.841 -7.698 1.00 0.00 H new ATOM 0 HG23 THR B 51 6.586 -7.130 -6.065 1.00 0.00 H new ATOM 1642 N PHE B 52 3.880 -8.459 -7.210 1.00 0.00 N ATOM 1643 CA PHE B 52 2.626 -7.951 -7.752 1.00 0.00 C ATOM 1644 C PHE B 52 2.694 -6.432 -7.881 1.00 0.00 C ATOM 1645 O PHE B 52 3.311 -5.771 -7.057 1.00 0.00 O ATOM 1646 CB PHE B 52 1.454 -8.326 -6.838 1.00 0.00 C ATOM 1647 CG PHE B 52 1.379 -9.786 -6.485 1.00 0.00 C ATOM 1648 CD1 PHE B 52 2.393 -10.394 -5.761 1.00 0.00 C ATOM 1649 CD2 PHE B 52 0.284 -10.548 -6.865 1.00 0.00 C ATOM 1650 CE1 PHE B 52 2.319 -11.733 -5.427 1.00 0.00 C ATOM 1651 CE2 PHE B 52 0.205 -11.887 -6.531 1.00 0.00 C ATOM 1652 CZ PHE B 52 1.224 -12.479 -5.812 1.00 0.00 C ATOM 0 H PHE B 52 4.025 -8.249 -6.223 1.00 0.00 H new ATOM 0 HA PHE B 52 2.470 -8.398 -8.734 1.00 0.00 H new ATOM 0 HB2 PHE B 52 1.528 -7.746 -5.918 1.00 0.00 H new ATOM 0 HB3 PHE B 52 0.523 -8.035 -7.324 1.00 0.00 H new ATOM 0 HD1 PHE B 52 3.251 -9.814 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE B 52 -0.516 -10.090 -7.428 1.00 0.00 H new ATOM 0 HE1 PHE B 52 3.117 -12.195 -4.865 1.00 0.00 H new ATOM 0 HE2 PHE B 52 -0.653 -12.469 -6.832 1.00 0.00 H new ATOM 0 HZ PHE B 52 1.164 -13.525 -5.551 1.00 0.00 H new ATOM 1662 N THR B 53 2.057 -5.878 -8.904 1.00 0.00 N ATOM 1663 CA THR B 53 2.055 -4.432 -9.095 1.00 0.00 C ATOM 1664 C THR B 53 0.636 -3.881 -9.123 1.00 0.00 C ATOM 1665 O THR B 53 -0.224 -4.375 -9.852 1.00 0.00 O ATOM 1666 CB THR B 53 2.801 -4.042 -10.371 1.00 0.00 C ATOM 1667 OG1 THR B 53 2.522 -4.950 -11.419 1.00 0.00 O ATOM 1668 CG2 THR B 53 4.303 -3.973 -10.191 1.00 0.00 C ATOM 0 H THR B 53 1.539 -6.402 -9.609 1.00 0.00 H new ATOM 0 HA THR B 53 2.576 -3.991 -8.245 1.00 0.00 H new ATOM 0 HB THR B 53 2.442 -3.044 -10.620 1.00 0.00 H new ATOM 0 HG1 THR B 53 1.838 -4.569 -12.009 1.00 0.00 H new ATOM 0 HG21 THR B 53 4.770 -3.691 -11.135 1.00 0.00 H new ATOM 0 HG22 THR B 53 4.545 -3.230 -9.431 1.00 0.00 H new ATOM 0 HG23 THR B 53 4.677 -4.948 -9.878 1.00 0.00 H new ATOM 1676 N VAL B 54 0.411 -2.847 -8.325 1.00 0.00 N ATOM 1677 CA VAL B 54 -0.892 -2.203 -8.242 1.00 0.00 C ATOM 1678 C VAL B 54 -0.849 -0.837 -8.916 1.00 0.00 C ATOM 1679 O VAL B 54 -0.207 0.087 -8.417 1.00 0.00 O ATOM 1680 CB VAL B 54 -1.336 -2.033 -6.776 1.00 0.00 C ATOM 1681 CG1 VAL B 54 -2.682 -1.332 -6.698 1.00 0.00 C ATOM 1682 CG2 VAL B 54 -1.384 -3.383 -6.075 1.00 0.00 C ATOM 0 H VAL B 54 1.121 -2.433 -7.721 1.00 0.00 H new ATOM 0 HA VAL B 54 -1.611 -2.842 -8.754 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.603 -1.409 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -2.975 -1.223 -5.654 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -2.606 -0.347 -7.159 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -3.431 -1.923 -7.226 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -1.699 -3.245 -5.041 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -2.093 -4.034 -6.587 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -0.394 -3.839 -6.095 1.00 0.00 H new ATOM 1692 N THR B 55 -1.523 -0.710 -10.056 1.00 0.00 N ATOM 1693 CA THR B 55 -1.531 0.552 -10.782 1.00 0.00 C ATOM 1694 C THR B 55 -2.837 1.308 -10.571 1.00 0.00 C ATOM 1695 O THR B 55 -3.905 0.849 -10.975 1.00 0.00 O ATOM 1696 CB THR B 55 -1.299 0.314 -12.274 1.00 0.00 C ATOM 1697 OG1 THR B 55 -0.184 -0.535 -12.477 1.00 0.00 O ATOM 1698 CG2 THR B 55 -1.041 1.594 -13.038 1.00 0.00 C ATOM 0 H THR B 55 -2.064 -1.457 -10.491 1.00 0.00 H new ATOM 0 HA THR B 55 -0.719 1.163 -10.389 1.00 0.00 H new ATOM 0 HB THR B 55 -2.216 -0.143 -12.647 1.00 0.00 H new ATOM 0 HG1 THR B 55 -0.052 -0.677 -13.438 1.00 0.00 H new ATOM 0 HG21 THR B 55 -0.883 1.363 -14.092 1.00 0.00 H new ATOM 0 HG22 THR B 55 -1.900 2.258 -12.936 1.00 0.00 H new ATOM 0 HG23 THR B 55 -0.154 2.084 -12.637 1.00 0.00 H new ATOM 1706 N GLU B 56 -2.739 2.474 -9.936 1.00 0.00 N ATOM 1707 CA GLU B 56 -3.908 3.307 -9.665 1.00 0.00 C ATOM 1708 C GLU B 56 -4.730 3.514 -10.935 1.00 0.00 C ATOM 1709 O GLU B 56 -5.927 3.157 -10.929 1.00 0.00 O ATOM 1710 CB GLU B 56 -3.461 4.658 -9.092 1.00 0.00 C ATOM 1711 CG GLU B 56 -4.601 5.548 -8.609 1.00 0.00 C ATOM 1712 CD GLU B 56 -5.549 5.962 -9.720 1.00 0.00 C ATOM 1713 OE1 GLU B 56 -5.086 6.603 -10.685 1.00 0.00 O ATOM 1714 OE2 GLU B 56 -6.752 5.642 -9.623 1.00 0.00 O ATOM 1715 OXT GLU B 56 -4.171 4.032 -11.924 1.00 0.00 O ATOM 0 H GLU B 56 -1.859 2.864 -9.599 1.00 0.00 H new ATOM 0 HA GLU B 56 -4.537 2.800 -8.933 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -2.780 4.478 -8.260 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -2.897 5.194 -9.856 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -5.163 5.021 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -4.184 6.441 -8.144 1.00 0.00 H new