USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 740 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 12 HIS HE2 : A 12 HIS NE2 : A 147 ZNZN :(H bumps) USER MOD NoAdj-H: A 16 HIS HD1 : A 16 HIS ND1 : A 147 ZNZN :(H bumps) USER MOD NoAdj-H: B 12 HIS HE2 : B 12 HIS NE2 : B 147 ZNZN :(H bumps) USER MOD NoAdj-H: B 16 HIS HD1 : B 16 HIS ND1 : B 147 ZNZN :(H bumps) USER MOD Single : A 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.56) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 100:sc= 1.25 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 150:sc= -0.0744 (180deg=-0.736) USER MOD Single : A 30 ASN : amide:sc= -0.0113 K(o=-0.011,f=-1.4) USER MOD Single : A 35 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.23) USER MOD Single : A 38 ASN : amide:sc= -0.184 K(o=-0.18,f=-1.8!) USER MOD Single : A 39 SER OG : rot 82:sc= 0.202 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 44 GLN : amide:sc= -0.759 X(o=-0.76,f=-0.54) USER MOD Single : A 45 GLN : amide:sc= -0.856 K(o=-0.86,f=-3.2) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.54) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 SER OG : rot 91:sc= 1.24 USER MOD Single : B 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 25 LYS NZ :NH3+ 151:sc= -0.0521 (180deg=-0.71) USER MOD Single : B 30 ASN : amide:sc=-0.00986 K(o=-0.0099,f=-1.4) USER MOD Single : B 35 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 38 ASN : amide:sc= -0.252 K(o=-0.25,f=-1.9!) USER MOD Single : B 39 SER OG : rot 84:sc= 0.199 USER MOD Single : B 42 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : B 44 GLN : amide:sc= -0.752 X(o=-0.75,f=-0.54) USER MOD Single : B 45 GLN : amide:sc= -0.806 K(o=-0.81,f=-3) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -2.697 -11.097 -10.076 1.00 0.00 N ATOM 2 CA PHE A 1 -3.077 -9.818 -9.422 1.00 0.00 C ATOM 3 C PHE A 1 -4.258 -9.162 -10.127 1.00 0.00 C ATOM 4 O PHE A 1 -5.344 -9.044 -9.559 1.00 0.00 O ATOM 5 CB PHE A 1 -1.864 -8.883 -9.440 1.00 0.00 C ATOM 6 CG PHE A 1 -2.034 -7.661 -8.583 1.00 0.00 C ATOM 7 CD1 PHE A 1 -2.321 -7.781 -7.232 1.00 0.00 C ATOM 8 CD2 PHE A 1 -1.902 -6.395 -9.127 1.00 0.00 C ATOM 9 CE1 PHE A 1 -2.476 -6.657 -6.441 1.00 0.00 C ATOM 10 CE2 PHE A 1 -2.057 -5.270 -8.341 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.345 -5.401 -6.997 1.00 0.00 C ATOM 0 H1 PHE A 1 -1.890 -11.518 -9.572 1.00 0.00 H new ATOM 0 H2 PHE A 1 -3.503 -11.754 -10.049 1.00 0.00 H new ATOM 0 H3 PHE A 1 -2.431 -10.916 -11.065 1.00 0.00 H new ATOM 0 HA PHE A 1 -3.383 -10.020 -8.396 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -0.986 -9.434 -9.103 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.670 -8.572 -10.467 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -2.425 -8.762 -6.793 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.675 -6.286 -10.177 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -2.699 -6.762 -5.390 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -1.953 -4.288 -8.778 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.468 -4.522 -6.382 1.00 0.00 H new ATOM 23 N LEU A 2 -4.044 -8.733 -11.366 1.00 0.00 N ATOM 24 CA LEU A 2 -5.099 -8.087 -12.143 1.00 0.00 C ATOM 25 C LEU A 2 -6.201 -9.075 -12.529 1.00 0.00 C ATOM 26 O LEU A 2 -7.320 -8.669 -12.834 1.00 0.00 O ATOM 27 CB LEU A 2 -4.507 -7.448 -13.403 1.00 0.00 C ATOM 28 CG LEU A 2 -4.061 -5.994 -13.242 1.00 0.00 C ATOM 29 CD1 LEU A 2 -2.776 -5.916 -12.432 1.00 0.00 C ATOM 30 CD2 LEU A 2 -3.873 -5.341 -14.604 1.00 0.00 C ATOM 0 H LEU A 2 -3.153 -8.820 -11.854 1.00 0.00 H new ATOM 0 HA LEU A 2 -5.546 -7.314 -11.518 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -3.651 -8.041 -13.725 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.248 -7.499 -14.200 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.839 -5.453 -12.704 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.474 -4.874 -12.328 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.942 -6.346 -11.444 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.990 -6.472 -12.943 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -3.556 -4.307 -14.471 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -3.113 -5.884 -15.166 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.815 -5.364 -15.152 1.00 0.00 H new ATOM 42 N GLU A 3 -5.880 -10.368 -12.527 1.00 0.00 N ATOM 43 CA GLU A 3 -6.848 -11.402 -12.890 1.00 0.00 C ATOM 44 C GLU A 3 -8.145 -11.281 -12.085 1.00 0.00 C ATOM 45 O GLU A 3 -9.230 -11.160 -12.656 1.00 0.00 O ATOM 46 CB GLU A 3 -6.231 -12.792 -12.693 1.00 0.00 C ATOM 47 CG GLU A 3 -6.383 -13.701 -13.901 1.00 0.00 C ATOM 48 CD GLU A 3 -6.033 -15.144 -13.590 1.00 0.00 C ATOM 49 OE1 GLU A 3 -6.911 -15.870 -13.076 1.00 0.00 O ATOM 50 OE2 GLU A 3 -4.883 -15.548 -13.861 1.00 0.00 O ATOM 0 H GLU A 3 -4.957 -10.724 -12.278 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.101 -11.262 -13.941 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.171 -12.681 -12.463 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.696 -13.268 -11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -7.410 -13.650 -14.263 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.742 -13.340 -14.706 1.00 0.00 H new ATOM 57 N LYS A 4 -8.031 -11.329 -10.762 1.00 0.00 N ATOM 58 CA LYS A 4 -9.199 -11.239 -9.888 1.00 0.00 C ATOM 59 C LYS A 4 -9.555 -9.789 -9.556 1.00 0.00 C ATOM 60 O LYS A 4 -10.685 -9.500 -9.161 1.00 0.00 O ATOM 61 CB LYS A 4 -8.951 -12.017 -8.595 1.00 0.00 C ATOM 62 CG LYS A 4 -9.144 -13.516 -8.745 1.00 0.00 C ATOM 63 CD LYS A 4 -9.647 -14.143 -7.456 1.00 0.00 C ATOM 64 CE LYS A 4 -8.506 -14.415 -6.490 1.00 0.00 C ATOM 65 NZ LYS A 4 -8.986 -15.050 -5.229 1.00 0.00 N ATOM 0 H LYS A 4 -7.143 -11.430 -10.270 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.041 -11.676 -10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.935 -11.822 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.625 -11.647 -7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.853 -13.714 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.200 -13.979 -9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.373 -13.480 -6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.165 -15.075 -7.681 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.773 -15.065 -6.968 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -7.998 -13.480 -6.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -8.178 -15.220 -4.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -9.667 -14.419 -4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.448 -15.955 -5.450 1.00 0.00 H new ATOM 79 N ILE A 5 -8.597 -8.881 -9.711 1.00 0.00 N ATOM 80 CA ILE A 5 -8.836 -7.473 -9.418 1.00 0.00 C ATOM 81 C ILE A 5 -9.581 -6.785 -10.566 1.00 0.00 C ATOM 82 O ILE A 5 -10.381 -5.877 -10.336 1.00 0.00 O ATOM 83 CB ILE A 5 -7.508 -6.730 -9.125 1.00 0.00 C ATOM 84 CG1 ILE A 5 -6.809 -7.366 -7.923 1.00 0.00 C ATOM 85 CG2 ILE A 5 -7.750 -5.247 -8.866 1.00 0.00 C ATOM 86 CD1 ILE A 5 -5.360 -6.959 -7.781 1.00 0.00 C ATOM 0 H ILE A 5 -7.654 -9.093 -10.036 1.00 0.00 H new ATOM 0 HA ILE A 5 -9.462 -7.429 -8.527 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.868 -6.818 -10.003 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.345 -7.092 -7.014 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.866 -8.451 -8.012 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.800 -4.753 -8.664 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.214 -4.795 -9.743 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.410 -5.131 -8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.929 -7.448 -6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.809 -7.257 -8.673 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.296 -5.878 -7.660 1.00 0.00 H new ATOM 98 N GLU A 6 -9.321 -7.217 -11.798 1.00 0.00 N ATOM 99 CA GLU A 6 -9.981 -6.629 -12.961 1.00 0.00 C ATOM 100 C GLU A 6 -11.501 -6.779 -12.859 1.00 0.00 C ATOM 101 O GLU A 6 -12.229 -5.789 -12.908 1.00 0.00 O ATOM 102 CB GLU A 6 -9.468 -7.263 -14.258 1.00 0.00 C ATOM 103 CG GLU A 6 -8.325 -6.495 -14.899 1.00 0.00 C ATOM 104 CD GLU A 6 -8.524 -6.278 -16.387 1.00 0.00 C ATOM 105 OE1 GLU A 6 -9.691 -6.181 -16.820 1.00 0.00 O ATOM 106 OE2 GLU A 6 -7.513 -6.204 -17.116 1.00 0.00 O ATOM 0 H GLU A 6 -8.664 -7.966 -12.016 1.00 0.00 H new ATOM 0 HA GLU A 6 -9.741 -5.566 -12.980 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -9.139 -8.281 -14.050 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -10.291 -7.333 -14.969 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.221 -5.528 -14.406 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.393 -7.037 -14.737 1.00 0.00 H new ATOM 113 N PRO A 7 -12.012 -8.024 -12.706 1.00 0.00 N ATOM 114 CA PRO A 7 -13.453 -8.276 -12.587 1.00 0.00 C ATOM 115 C PRO A 7 -14.132 -7.318 -11.613 1.00 0.00 C ATOM 116 O PRO A 7 -15.274 -6.906 -11.823 1.00 0.00 O ATOM 117 CB PRO A 7 -13.514 -9.707 -12.051 1.00 0.00 C ATOM 118 CG PRO A 7 -12.276 -10.355 -12.563 1.00 0.00 C ATOM 119 CD PRO A 7 -11.229 -9.277 -12.631 1.00 0.00 C ATOM 0 HA PRO A 7 -13.972 -8.134 -13.535 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.547 -9.721 -10.962 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -14.406 -10.224 -12.403 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.959 -11.163 -11.903 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.446 -10.794 -13.546 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -10.583 -9.292 -11.753 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.586 -9.399 -13.503 1.00 0.00 H new ATOM 127 N ALA A 8 -13.418 -6.965 -10.549 1.00 0.00 N ATOM 128 CA ALA A 8 -13.945 -6.052 -9.543 1.00 0.00 C ATOM 129 C ALA A 8 -14.007 -4.629 -10.086 1.00 0.00 C ATOM 130 O ALA A 8 -14.889 -3.852 -9.721 1.00 0.00 O ATOM 131 CB ALA A 8 -13.092 -6.105 -8.283 1.00 0.00 C ATOM 0 H ALA A 8 -12.472 -7.298 -10.362 1.00 0.00 H new ATOM 0 HA ALA A 8 -14.958 -6.365 -9.291 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.497 -5.418 -7.540 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -13.098 -7.118 -7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.069 -5.817 -8.524 1.00 0.00 H new ATOM 137 N GLN A 9 -13.068 -4.297 -10.965 1.00 0.00 N ATOM 138 CA GLN A 9 -13.017 -2.971 -11.566 1.00 0.00 C ATOM 139 C GLN A 9 -14.188 -2.771 -12.521 1.00 0.00 C ATOM 140 O GLN A 9 -14.814 -1.712 -12.539 1.00 0.00 O ATOM 141 CB GLN A 9 -11.697 -2.775 -12.313 1.00 0.00 C ATOM 142 CG GLN A 9 -10.516 -2.493 -11.398 1.00 0.00 C ATOM 143 CD GLN A 9 -9.190 -2.562 -12.127 1.00 0.00 C ATOM 144 OE1 GLN A 9 -9.129 -2.415 -13.348 1.00 0.00 O ATOM 145 NE2 GLN A 9 -8.115 -2.787 -11.379 1.00 0.00 N ATOM 0 H GLN A 9 -12.331 -4.929 -11.277 1.00 0.00 H new ATOM 0 HA GLN A 9 -13.085 -2.232 -10.768 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -11.486 -3.668 -12.901 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.806 -1.949 -13.016 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.632 -1.504 -10.954 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.515 -3.212 -10.579 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.211 -2.903 -10.370 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.194 -2.844 -11.814 1.00 0.00 H new ATOM 154 N GLU A 10 -14.479 -3.799 -13.313 1.00 0.00 N ATOM 155 CA GLU A 10 -15.577 -3.738 -14.270 1.00 0.00 C ATOM 156 C GLU A 10 -16.910 -3.596 -13.545 1.00 0.00 C ATOM 157 O GLU A 10 -17.843 -2.975 -14.053 1.00 0.00 O ATOM 158 CB GLU A 10 -15.589 -4.989 -15.149 1.00 0.00 C ATOM 159 CG GLU A 10 -14.460 -5.029 -16.165 1.00 0.00 C ATOM 160 CD GLU A 10 -14.510 -6.265 -17.042 1.00 0.00 C ATOM 161 OE1 GLU A 10 -14.297 -7.376 -16.514 1.00 0.00 O ATOM 162 OE2 GLU A 10 -14.758 -6.121 -18.258 1.00 0.00 O ATOM 0 H GLU A 10 -13.970 -4.683 -13.310 1.00 0.00 H new ATOM 0 HA GLU A 10 -15.430 -2.864 -14.905 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.525 -5.871 -14.512 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.542 -5.044 -15.675 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -14.510 -4.140 -16.793 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.504 -4.997 -15.642 1.00 0.00 H new ATOM 169 N GLU A 11 -16.992 -4.178 -12.350 1.00 0.00 N ATOM 170 CA GLU A 11 -18.210 -4.116 -11.552 1.00 0.00 C ATOM 171 C GLU A 11 -18.469 -2.695 -11.075 1.00 0.00 C ATOM 172 O GLU A 11 -19.593 -2.199 -11.170 1.00 0.00 O ATOM 173 CB GLU A 11 -18.109 -5.061 -10.353 1.00 0.00 C ATOM 174 CG GLU A 11 -19.371 -5.110 -9.510 1.00 0.00 C ATOM 175 CD GLU A 11 -20.296 -6.241 -9.913 1.00 0.00 C ATOM 176 OE1 GLU A 11 -19.788 -7.321 -10.283 1.00 0.00 O ATOM 177 OE2 GLU A 11 -21.529 -6.049 -9.859 1.00 0.00 O ATOM 0 H GLU A 11 -16.229 -4.697 -11.915 1.00 0.00 H new ATOM 0 HA GLU A 11 -19.045 -4.429 -12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.882 -6.065 -10.711 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.274 -4.750 -9.725 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.099 -5.224 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.901 -4.162 -9.600 1.00 0.00 H new ATOM 184 N HIS A 12 -17.432 -2.029 -10.570 1.00 0.00 N ATOM 185 CA HIS A 12 -17.587 -0.662 -10.096 1.00 0.00 C ATOM 186 C HIS A 12 -17.987 0.256 -11.251 1.00 0.00 C ATOM 187 O HIS A 12 -18.818 1.145 -11.093 1.00 0.00 O ATOM 188 CB HIS A 12 -16.306 -0.131 -9.430 1.00 0.00 C ATOM 189 CG HIS A 12 -16.499 1.251 -8.893 1.00 0.00 C ATOM 190 ND1 HIS A 12 -16.531 1.576 -7.552 1.00 0.00 N ATOM 191 CD2 HIS A 12 -16.819 2.377 -9.560 1.00 0.00 C ATOM 192 CE1 HIS A 12 -16.890 2.868 -7.456 1.00 0.00 C ATOM 193 NE2 HIS A 12 -17.073 3.392 -8.651 1.00 0.00 N ATOM 0 H HIS A 12 -16.490 -2.410 -10.481 1.00 0.00 H new ATOM 0 HA HIS A 12 -18.375 -0.669 -9.342 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -16.012 -0.799 -8.620 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.492 -0.130 -10.154 1.00 0.00 H new ATOM 0 HD1 HIS A 12 -16.321 0.950 -6.775 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -16.870 2.474 -10.634 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -17.012 3.403 -6.526 1.00 0.00 H new ATOM 201 N GLU A 13 -17.380 0.039 -12.407 1.00 0.00 N ATOM 202 CA GLU A 13 -17.665 0.854 -13.581 1.00 0.00 C ATOM 203 C GLU A 13 -19.120 0.714 -14.040 1.00 0.00 C ATOM 204 O GLU A 13 -19.582 1.498 -14.869 1.00 0.00 O ATOM 205 CB GLU A 13 -16.727 0.468 -14.727 1.00 0.00 C ATOM 206 CG GLU A 13 -15.313 1.000 -14.560 1.00 0.00 C ATOM 207 CD GLU A 13 -14.278 0.125 -15.239 1.00 0.00 C ATOM 208 OE1 GLU A 13 -14.592 -0.450 -16.303 1.00 0.00 O ATOM 209 OE2 GLU A 13 -13.153 0.013 -14.707 1.00 0.00 O ATOM 0 H GLU A 13 -16.687 -0.694 -12.559 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.502 1.895 -13.301 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.691 -0.619 -14.806 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.139 0.842 -15.664 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.257 2.008 -14.971 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.080 1.075 -13.498 1.00 0.00 H new ATOM 216 N LYS A 14 -19.839 -0.287 -13.524 1.00 0.00 N ATOM 217 CA LYS A 14 -21.225 -0.502 -13.926 1.00 0.00 C ATOM 218 C LYS A 14 -22.221 -0.245 -12.780 1.00 0.00 C ATOM 219 O LYS A 14 -23.415 -0.074 -13.026 1.00 0.00 O ATOM 220 CB LYS A 14 -21.376 -1.926 -14.507 1.00 0.00 C ATOM 221 CG LYS A 14 -21.819 -3.001 -13.516 1.00 0.00 C ATOM 222 CD LYS A 14 -21.910 -4.371 -14.178 1.00 0.00 C ATOM 223 CE LYS A 14 -20.891 -5.344 -13.606 1.00 0.00 C ATOM 224 NZ LYS A 14 -21.207 -6.754 -13.967 1.00 0.00 N ATOM 0 H LYS A 14 -19.487 -0.952 -12.836 1.00 0.00 H new ATOM 0 HA LYS A 14 -21.471 0.227 -14.698 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -22.097 -1.891 -15.324 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -20.421 -2.226 -14.938 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -21.114 -3.044 -12.685 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -22.789 -2.733 -13.097 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.914 -4.774 -14.042 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -21.751 -4.267 -15.251 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -19.898 -5.088 -13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -20.863 -5.244 -12.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -20.489 -7.386 -13.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -22.144 -7.006 -13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -21.209 -6.855 -15.002 1.00 0.00 H new ATOM 238 N TYR A 15 -21.743 -0.238 -11.534 1.00 0.00 N ATOM 239 CA TYR A 15 -22.632 -0.021 -10.387 1.00 0.00 C ATOM 240 C TYR A 15 -22.043 0.925 -9.329 1.00 0.00 C ATOM 241 O TYR A 15 -22.653 1.127 -8.279 1.00 0.00 O ATOM 242 CB TYR A 15 -22.956 -1.361 -9.723 1.00 0.00 C ATOM 243 CG TYR A 15 -23.626 -2.361 -10.639 1.00 0.00 C ATOM 244 CD1 TYR A 15 -24.805 -2.042 -11.301 1.00 0.00 C ATOM 245 CD2 TYR A 15 -23.080 -3.625 -10.841 1.00 0.00 C ATOM 246 CE1 TYR A 15 -25.426 -2.956 -12.132 1.00 0.00 C ATOM 247 CE2 TYR A 15 -23.695 -4.542 -11.672 1.00 0.00 C ATOM 248 CZ TYR A 15 -24.867 -4.202 -12.314 1.00 0.00 C ATOM 249 OH TYR A 15 -25.483 -5.114 -13.143 1.00 0.00 O ATOM 0 H TYR A 15 -20.762 -0.378 -11.294 1.00 0.00 H new ATOM 0 HA TYR A 15 -23.532 0.451 -10.781 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -22.033 -1.797 -9.341 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -23.603 -1.181 -8.864 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -25.243 -1.065 -11.164 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -22.161 -3.893 -10.341 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -26.345 -2.695 -12.636 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -23.260 -5.520 -11.818 1.00 0.00 H new ATOM 0 HH TYR A 15 -24.960 -5.943 -13.163 1.00 0.00 H new ATOM 259 N HIS A 16 -20.856 1.486 -9.588 1.00 0.00 N ATOM 260 CA HIS A 16 -20.178 2.389 -8.642 1.00 0.00 C ATOM 261 C HIS A 16 -20.280 1.889 -7.198 1.00 0.00 C ATOM 262 O HIS A 16 -20.383 2.682 -6.260 1.00 0.00 O ATOM 263 CB HIS A 16 -20.717 3.822 -8.728 1.00 0.00 C ATOM 264 CG HIS A 16 -20.440 4.513 -10.033 1.00 0.00 C ATOM 265 ND1 HIS A 16 -19.236 5.144 -10.290 1.00 0.00 N ATOM 266 CD2 HIS A 16 -21.251 4.668 -11.108 1.00 0.00 C ATOM 267 CE1 HIS A 16 -19.347 5.660 -11.500 1.00 0.00 C ATOM 268 NE2 HIS A 16 -20.549 5.400 -12.034 1.00 0.00 N ATOM 0 H HIS A 16 -20.338 1.330 -10.453 1.00 0.00 H new ATOM 0 HA HIS A 16 -19.128 2.395 -8.934 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.794 3.802 -8.563 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -20.281 4.410 -7.920 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.256 4.289 -11.216 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -18.569 6.220 -11.997 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -20.880 5.691 -12.954 1.00 0.00 H new ATOM 276 N SER A 17 -20.253 0.570 -7.030 1.00 0.00 N ATOM 277 CA SER A 17 -20.348 -0.040 -5.708 1.00 0.00 C ATOM 278 C SER A 17 -19.234 0.452 -4.787 1.00 0.00 C ATOM 279 O SER A 17 -18.274 1.081 -5.234 1.00 0.00 O ATOM 280 CB SER A 17 -20.293 -1.565 -5.825 1.00 0.00 C ATOM 281 OG SER A 17 -21.470 -2.072 -6.427 1.00 0.00 O ATOM 0 H SER A 17 -20.166 -0.098 -7.796 1.00 0.00 H new ATOM 0 HA SER A 17 -21.303 0.254 -5.272 1.00 0.00 H new ATOM 0 HB2 SER A 17 -19.424 -1.857 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 17 -20.168 -2.005 -4.835 1.00 0.00 H new ATOM 0 HG SER A 17 -21.410 -3.048 -6.492 1.00 0.00 H new ATOM 287 N ASN A 18 -19.373 0.161 -3.497 1.00 0.00 N ATOM 288 CA ASN A 18 -18.389 0.572 -2.503 1.00 0.00 C ATOM 289 C ASN A 18 -17.311 -0.496 -2.327 1.00 0.00 C ATOM 290 O ASN A 18 -17.200 -1.420 -3.132 1.00 0.00 O ATOM 291 CB ASN A 18 -19.082 0.848 -1.167 1.00 0.00 C ATOM 292 CG ASN A 18 -20.309 1.729 -1.321 1.00 0.00 C ATOM 293 OD1 ASN A 18 -20.196 2.944 -1.487 1.00 0.00 O ATOM 294 ND2 ASN A 18 -21.486 1.120 -1.264 1.00 0.00 N ATOM 0 H ASN A 18 -20.162 -0.361 -3.115 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.907 1.485 -2.853 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -19.373 -0.098 -0.710 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -18.377 1.327 -0.488 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -22.345 1.661 -1.359 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -21.532 0.111 -1.125 1.00 0.00 H new ATOM 301 N VAL A 19 -16.516 -0.363 -1.267 1.00 0.00 N ATOM 302 CA VAL A 19 -15.445 -1.313 -0.986 1.00 0.00 C ATOM 303 C VAL A 19 -15.995 -2.615 -0.413 1.00 0.00 C ATOM 304 O VAL A 19 -15.678 -3.702 -0.897 1.00 0.00 O ATOM 305 CB VAL A 19 -14.420 -0.724 0.006 1.00 0.00 C ATOM 306 CG1 VAL A 19 -13.224 -1.650 0.162 1.00 0.00 C ATOM 307 CG2 VAL A 19 -13.977 0.658 -0.445 1.00 0.00 C ATOM 0 H VAL A 19 -16.595 0.395 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 19 -14.950 -1.519 -1.935 1.00 0.00 H new ATOM 0 HB VAL A 19 -14.901 -0.629 0.979 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -12.515 -1.214 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.559 -2.617 0.537 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -12.739 -1.784 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -13.254 1.058 0.266 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -13.516 0.589 -1.431 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -14.842 1.319 -0.494 1.00 0.00 H new ATOM 317 N LYS A 20 -16.819 -2.497 0.625 1.00 0.00 N ATOM 318 CA LYS A 20 -17.414 -3.662 1.275 1.00 0.00 C ATOM 319 C LYS A 20 -18.164 -4.537 0.271 1.00 0.00 C ATOM 320 O LYS A 20 -18.151 -5.763 0.371 1.00 0.00 O ATOM 321 CB LYS A 20 -18.365 -3.214 2.392 1.00 0.00 C ATOM 322 CG LYS A 20 -19.074 -4.360 3.102 1.00 0.00 C ATOM 323 CD LYS A 20 -18.095 -5.424 3.587 1.00 0.00 C ATOM 324 CE LYS A 20 -18.354 -5.806 5.038 1.00 0.00 C ATOM 325 NZ LYS A 20 -17.498 -6.945 5.472 1.00 0.00 N ATOM 0 H LYS A 20 -17.091 -1.604 1.035 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.607 -4.256 1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.800 -2.640 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -19.114 -2.544 1.970 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.635 -3.969 3.951 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.797 -4.814 2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -18.178 -6.310 2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.075 -5.054 3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.166 -4.945 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -19.404 -6.073 5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.704 -7.175 6.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -17.695 -7.774 4.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -16.496 -6.682 5.378 1.00 0.00 H new ATOM 339 N GLU A 21 -18.817 -3.899 -0.693 1.00 0.00 N ATOM 340 CA GLU A 21 -19.571 -4.621 -1.710 1.00 0.00 C ATOM 341 C GLU A 21 -18.637 -5.371 -2.652 1.00 0.00 C ATOM 342 O GLU A 21 -18.866 -6.540 -2.969 1.00 0.00 O ATOM 343 CB GLU A 21 -20.447 -3.652 -2.506 1.00 0.00 C ATOM 344 CG GLU A 21 -21.310 -4.336 -3.557 1.00 0.00 C ATOM 345 CD GLU A 21 -22.797 -4.160 -3.304 1.00 0.00 C ATOM 346 OE1 GLU A 21 -23.283 -4.648 -2.261 1.00 0.00 O ATOM 347 OE2 GLU A 21 -23.472 -3.536 -4.147 1.00 0.00 O ATOM 0 H GLU A 21 -18.839 -2.884 -0.792 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.208 -5.348 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -21.092 -3.107 -1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.809 -2.916 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -21.064 -3.935 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.073 -5.400 -3.578 1.00 0.00 H new ATOM 354 N LEU A 22 -17.579 -4.699 -3.093 1.00 0.00 N ATOM 355 CA LEU A 22 -16.611 -5.306 -3.996 1.00 0.00 C ATOM 356 C LEU A 22 -15.785 -6.365 -3.272 1.00 0.00 C ATOM 357 O LEU A 22 -15.476 -7.416 -3.830 1.00 0.00 O ATOM 358 CB LEU A 22 -15.685 -4.237 -4.578 1.00 0.00 C ATOM 359 CG LEU A 22 -16.363 -3.224 -5.502 1.00 0.00 C ATOM 360 CD1 LEU A 22 -15.471 -2.009 -5.709 1.00 0.00 C ATOM 361 CD2 LEU A 22 -16.707 -3.867 -6.837 1.00 0.00 C ATOM 0 H LEU A 22 -17.371 -3.733 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 22 -17.159 -5.785 -4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -15.216 -3.698 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -14.887 -4.732 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 22 -17.289 -2.894 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -15.970 -1.299 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -15.274 -1.534 -4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -14.529 -2.322 -6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -17.189 -3.132 -7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.795 -4.226 -7.314 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -17.384 -4.705 -6.673 1.00 0.00 H new ATOM 373 N SER A 23 -15.427 -6.074 -2.027 1.00 0.00 N ATOM 374 CA SER A 23 -14.632 -6.995 -1.225 1.00 0.00 C ATOM 375 C SER A 23 -15.462 -8.199 -0.782 1.00 0.00 C ATOM 376 O SER A 23 -14.961 -9.320 -0.725 1.00 0.00 O ATOM 377 CB SER A 23 -14.063 -6.274 -0.001 1.00 0.00 C ATOM 378 OG SER A 23 -13.579 -7.199 0.956 1.00 0.00 O ATOM 0 H SER A 23 -15.675 -5.207 -1.551 1.00 0.00 H new ATOM 0 HA SER A 23 -13.810 -7.356 -1.843 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.256 -5.609 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.835 -5.651 0.449 1.00 0.00 H new ATOM 0 HG SER A 23 -12.605 -7.274 0.875 1.00 0.00 H new ATOM 384 N HIS A 24 -16.731 -7.959 -0.462 1.00 0.00 N ATOM 385 CA HIS A 24 -17.621 -9.026 -0.020 1.00 0.00 C ATOM 386 C HIS A 24 -18.159 -9.823 -1.206 1.00 0.00 C ATOM 387 O HIS A 24 -18.448 -11.013 -1.084 1.00 0.00 O ATOM 388 CB HIS A 24 -18.776 -8.439 0.793 1.00 0.00 C ATOM 389 CG HIS A 24 -19.750 -9.462 1.289 1.00 0.00 C ATOM 390 ND1 HIS A 24 -19.384 -10.419 2.203 1.00 0.00 N ATOM 391 CD2 HIS A 24 -21.052 -9.634 0.966 1.00 0.00 C ATOM 392 CE1 HIS A 24 -20.465 -11.147 2.417 1.00 0.00 C ATOM 393 NE2 HIS A 24 -21.503 -10.710 1.687 1.00 0.00 N ATOM 0 H HIS A 24 -17.164 -7.036 -0.501 1.00 0.00 H new ATOM 0 HA HIS A 24 -17.050 -9.708 0.610 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -18.368 -7.896 1.646 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -19.308 -7.713 0.178 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -21.627 -9.038 0.273 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -20.508 -11.988 3.094 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -22.445 -11.102 1.671 1.00 0.00 H new ATOM 401 N LYS A 25 -18.300 -9.159 -2.348 1.00 0.00 N ATOM 402 CA LYS A 25 -18.816 -9.809 -3.549 1.00 0.00 C ATOM 403 C LYS A 25 -17.738 -10.646 -4.232 1.00 0.00 C ATOM 404 O LYS A 25 -18.003 -11.759 -4.691 1.00 0.00 O ATOM 405 CB LYS A 25 -19.362 -8.767 -4.525 1.00 0.00 C ATOM 406 CG LYS A 25 -20.007 -9.370 -5.764 1.00 0.00 C ATOM 407 CD LYS A 25 -18.992 -9.580 -6.879 1.00 0.00 C ATOM 408 CE LYS A 25 -19.196 -10.916 -7.575 1.00 0.00 C ATOM 409 NZ LYS A 25 -20.633 -11.176 -7.872 1.00 0.00 N ATOM 0 H LYS A 25 -18.065 -8.174 -2.468 1.00 0.00 H new ATOM 0 HA LYS A 25 -19.624 -10.475 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.096 -8.148 -4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -18.549 -8.109 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -20.468 -10.324 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.804 -8.715 -6.115 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.077 -8.773 -7.607 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.984 -9.533 -6.468 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.625 -10.932 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -18.805 -11.716 -6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -20.710 -11.762 -8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -21.068 -11.675 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -21.125 -10.273 -8.026 1.00 0.00 H new ATOM 423 N PHE A 26 -16.527 -10.106 -4.310 1.00 0.00 N ATOM 424 CA PHE A 26 -15.419 -10.807 -4.950 1.00 0.00 C ATOM 425 C PHE A 26 -14.535 -11.506 -3.922 1.00 0.00 C ATOM 426 O PHE A 26 -14.243 -12.695 -4.050 1.00 0.00 O ATOM 427 CB PHE A 26 -14.590 -9.831 -5.786 1.00 0.00 C ATOM 428 CG PHE A 26 -15.325 -9.302 -6.986 1.00 0.00 C ATOM 429 CD1 PHE A 26 -15.335 -10.010 -8.175 1.00 0.00 C ATOM 430 CD2 PHE A 26 -16.016 -8.101 -6.917 1.00 0.00 C ATOM 431 CE1 PHE A 26 -16.018 -9.531 -9.279 1.00 0.00 C ATOM 432 CE2 PHE A 26 -16.701 -7.618 -8.016 1.00 0.00 C ATOM 433 CZ PHE A 26 -16.701 -8.333 -9.198 1.00 0.00 C ATOM 0 H PHE A 26 -16.287 -9.187 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.838 -11.571 -5.605 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -14.284 -8.994 -5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -13.679 -10.330 -6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -14.803 -10.948 -8.242 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.019 -7.538 -5.995 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -16.017 -10.092 -10.202 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -17.236 -6.682 -7.951 1.00 0.00 H new ATOM 0 HZ PHE A 26 -17.234 -7.956 -10.058 1.00 0.00 H new ATOM 443 N GLY A 27 -14.113 -10.765 -2.902 1.00 0.00 N ATOM 444 CA GLY A 27 -13.266 -11.339 -1.870 1.00 0.00 C ATOM 445 C GLY A 27 -11.873 -10.739 -1.853 1.00 0.00 C ATOM 446 O GLY A 27 -10.886 -11.452 -1.676 1.00 0.00 O ATOM 0 H GLY A 27 -14.341 -9.780 -2.771 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.734 -11.188 -0.897 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -13.191 -12.415 -2.025 1.00 0.00 H new ATOM 450 N ILE A 28 -11.794 -9.425 -2.034 1.00 0.00 N ATOM 451 CA ILE A 28 -10.511 -8.731 -2.037 1.00 0.00 C ATOM 452 C ILE A 28 -10.379 -7.822 -0.814 1.00 0.00 C ATOM 453 O ILE A 28 -11.370 -7.269 -0.339 1.00 0.00 O ATOM 454 CB ILE A 28 -10.328 -7.887 -3.311 1.00 0.00 C ATOM 455 CG1 ILE A 28 -11.465 -6.874 -3.447 1.00 0.00 C ATOM 456 CG2 ILE A 28 -10.261 -8.784 -4.538 1.00 0.00 C ATOM 457 CD1 ILE A 28 -11.305 -5.938 -4.625 1.00 0.00 C ATOM 0 H ILE A 28 -12.602 -8.820 -2.180 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.736 -9.497 -2.007 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.388 -7.341 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.409 -7.411 -3.546 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -11.527 -6.285 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.131 -8.171 -5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.418 -9.469 -4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.185 -9.356 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -12.148 -5.248 -4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -10.378 -5.374 -4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -11.273 -6.517 -5.548 1.00 0.00 H new ATOM 469 N PRO A 29 -9.150 -7.652 -0.281 1.00 0.00 N ATOM 470 CA PRO A 29 -8.917 -6.801 0.891 1.00 0.00 C ATOM 471 C PRO A 29 -9.463 -5.390 0.697 1.00 0.00 C ATOM 472 O PRO A 29 -9.801 -4.994 -0.417 1.00 0.00 O ATOM 473 CB PRO A 29 -7.393 -6.772 1.020 1.00 0.00 C ATOM 474 CG PRO A 29 -6.932 -8.021 0.351 1.00 0.00 C ATOM 475 CD PRO A 29 -7.899 -8.268 -0.770 1.00 0.00 C ATOM 0 HA PRO A 29 -9.422 -7.184 1.778 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.972 -5.888 0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.085 -6.746 2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.916 -7.909 -0.027 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.922 -8.858 1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.562 -7.810 -1.700 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.025 -9.333 -0.966 1.00 0.00 H new ATOM 483 N ASN A 30 -9.550 -4.640 1.789 1.00 0.00 N ATOM 484 CA ASN A 30 -10.053 -3.274 1.739 1.00 0.00 C ATOM 485 C ASN A 30 -9.139 -2.386 0.900 1.00 0.00 C ATOM 486 O ASN A 30 -9.598 -1.467 0.222 1.00 0.00 O ATOM 487 CB ASN A 30 -10.193 -2.708 3.155 1.00 0.00 C ATOM 488 CG ASN A 30 -11.554 -2.085 3.400 1.00 0.00 C ATOM 489 OD1 ASN A 30 -11.670 -0.873 3.585 1.00 0.00 O ATOM 490 ND2 ASN A 30 -12.593 -2.913 3.401 1.00 0.00 N ATOM 0 H ASN A 30 -9.278 -4.956 2.720 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.036 -3.290 1.268 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -10.026 -3.505 3.879 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.419 -1.959 3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.533 -2.551 3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.450 -3.911 3.243 1.00 0.00 H new ATOM 497 N LEU A 31 -7.842 -2.669 0.951 1.00 0.00 N ATOM 498 CA LEU A 31 -6.860 -1.898 0.197 1.00 0.00 C ATOM 499 C LEU A 31 -7.111 -2.009 -1.303 1.00 0.00 C ATOM 500 O LEU A 31 -7.153 -1.002 -2.012 1.00 0.00 O ATOM 501 CB LEU A 31 -5.444 -2.379 0.524 1.00 0.00 C ATOM 502 CG LEU A 31 -4.347 -1.323 0.376 1.00 0.00 C ATOM 503 CD1 LEU A 31 -3.220 -1.585 1.363 1.00 0.00 C ATOM 504 CD2 LEU A 31 -3.817 -1.304 -1.049 1.00 0.00 C ATOM 0 H LEU A 31 -7.446 -3.427 1.507 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.960 -0.852 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.432 -2.752 1.548 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.205 -3.222 -0.125 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.776 -0.345 0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.448 -0.825 1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.611 -1.549 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.792 -2.569 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.037 -0.547 -1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.403 -2.282 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.630 -1.069 -1.736 1.00 0.00 H new ATOM 516 N VAL A 32 -7.280 -3.236 -1.780 1.00 0.00 N ATOM 517 CA VAL A 32 -7.526 -3.477 -3.197 1.00 0.00 C ATOM 518 C VAL A 32 -8.843 -2.850 -3.639 1.00 0.00 C ATOM 519 O VAL A 32 -8.898 -2.152 -4.650 1.00 0.00 O ATOM 520 CB VAL A 32 -7.554 -4.984 -3.517 1.00 0.00 C ATOM 521 CG1 VAL A 32 -7.597 -5.208 -5.019 1.00 0.00 C ATOM 522 CG2 VAL A 32 -6.353 -5.684 -2.899 1.00 0.00 C ATOM 0 H VAL A 32 -7.251 -4.079 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.704 -3.015 -3.743 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.457 -5.413 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.616 -6.278 -5.227 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.492 -4.742 -5.431 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.713 -4.765 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.390 -6.747 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.435 -5.255 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.372 -5.552 -1.817 1.00 0.00 H new ATOM 532 N ALA A 33 -9.901 -3.105 -2.877 1.00 0.00 N ATOM 533 CA ALA A 33 -11.218 -2.565 -3.195 1.00 0.00 C ATOM 534 C ALA A 33 -11.219 -1.041 -3.122 1.00 0.00 C ATOM 535 O ALA A 33 -11.917 -0.376 -3.887 1.00 0.00 O ATOM 536 CB ALA A 33 -12.265 -3.141 -2.255 1.00 0.00 C ATOM 0 H ALA A 33 -9.873 -3.681 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.465 -2.854 -4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -13.243 -2.729 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -12.291 -4.226 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.013 -2.882 -1.227 1.00 0.00 H new ATOM 542 N ARG A 34 -10.436 -0.493 -2.199 1.00 0.00 N ATOM 543 CA ARG A 34 -10.351 0.953 -2.032 1.00 0.00 C ATOM 544 C ARG A 34 -9.646 1.601 -3.220 1.00 0.00 C ATOM 545 O ARG A 34 -9.921 2.749 -3.565 1.00 0.00 O ATOM 546 CB ARG A 34 -9.612 1.297 -0.736 1.00 0.00 C ATOM 547 CG ARG A 34 -10.527 1.424 0.471 1.00 0.00 C ATOM 548 CD ARG A 34 -9.779 1.166 1.769 1.00 0.00 C ATOM 549 NE ARG A 34 -10.344 1.917 2.889 1.00 0.00 N ATOM 550 CZ ARG A 34 -10.116 3.213 3.112 1.00 0.00 C ATOM 551 NH1 ARG A 34 -9.343 3.915 2.292 1.00 0.00 N ATOM 552 NH2 ARG A 34 -10.668 3.809 4.159 1.00 0.00 N ATOM 0 H ARG A 34 -9.852 -1.028 -1.556 1.00 0.00 H new ATOM 0 HA ARG A 34 -11.367 1.345 -1.979 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.867 0.527 -0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.073 2.234 -0.873 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -10.963 2.423 0.494 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.352 0.718 0.379 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.807 0.100 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.731 1.438 1.643 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.950 1.419 3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.917 3.464 1.482 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.175 4.905 2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -11.265 3.277 4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -10.495 4.799 4.332 1.00 0.00 H new ATOM 566 N GLN A 35 -8.732 0.859 -3.839 1.00 0.00 N ATOM 567 CA GLN A 35 -7.990 1.364 -4.987 1.00 0.00 C ATOM 568 C GLN A 35 -8.912 1.584 -6.183 1.00 0.00 C ATOM 569 O GLN A 35 -8.760 2.556 -6.924 1.00 0.00 O ATOM 570 CB GLN A 35 -6.866 0.394 -5.360 1.00 0.00 C ATOM 571 CG GLN A 35 -5.613 0.562 -4.516 1.00 0.00 C ATOM 572 CD GLN A 35 -4.733 1.698 -5.001 1.00 0.00 C ATOM 573 OE1 GLN A 35 -4.428 1.798 -6.190 1.00 0.00 O ATOM 574 NE2 GLN A 35 -4.318 2.561 -4.082 1.00 0.00 N ATOM 0 H GLN A 35 -8.489 -0.093 -3.564 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.554 2.325 -4.712 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.230 -0.628 -5.256 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -6.609 0.535 -6.410 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.899 0.745 -3.480 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.042 -0.367 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.595 2.441 -3.108 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -3.723 3.345 -4.350 1.00 0.00 H new ATOM 583 N ILE A 36 -9.866 0.678 -6.363 1.00 0.00 N ATOM 584 CA ILE A 36 -10.814 0.781 -7.469 1.00 0.00 C ATOM 585 C ILE A 36 -11.695 2.016 -7.313 1.00 0.00 C ATOM 586 O ILE A 36 -11.788 2.842 -8.222 1.00 0.00 O ATOM 587 CB ILE A 36 -11.703 -0.478 -7.568 1.00 0.00 C ATOM 588 CG1 ILE A 36 -10.836 -1.736 -7.638 1.00 0.00 C ATOM 589 CG2 ILE A 36 -12.617 -0.396 -8.785 1.00 0.00 C ATOM 590 CD1 ILE A 36 -11.629 -3.023 -7.560 1.00 0.00 C ATOM 0 H ILE A 36 -10.004 -0.133 -5.761 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.232 0.869 -8.387 1.00 0.00 H new ATOM 0 HB ILE A 36 -12.325 -0.531 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.268 -1.725 -8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.113 -1.715 -6.823 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -13.235 -1.292 -8.837 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.257 0.482 -8.701 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -12.013 -0.319 -9.689 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -10.949 -3.873 -7.616 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.176 -3.057 -6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.334 -3.067 -8.390 1.00 0.00 H new ATOM 602 N VAL A 37 -12.337 2.140 -6.156 1.00 0.00 N ATOM 603 CA VAL A 37 -13.207 3.279 -5.885 1.00 0.00 C ATOM 604 C VAL A 37 -12.415 4.582 -5.889 1.00 0.00 C ATOM 605 O VAL A 37 -12.879 5.601 -6.396 1.00 0.00 O ATOM 606 CB VAL A 37 -13.924 3.129 -4.528 1.00 0.00 C ATOM 607 CG1 VAL A 37 -14.940 4.246 -4.332 1.00 0.00 C ATOM 608 CG2 VAL A 37 -14.594 1.766 -4.427 1.00 0.00 C ATOM 0 H VAL A 37 -12.272 1.467 -5.392 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.954 3.306 -6.678 1.00 0.00 H new ATOM 0 HB VAL A 37 -13.180 3.204 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -15.435 4.122 -3.369 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -14.431 5.209 -4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -15.682 4.207 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -15.095 1.677 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -15.326 1.660 -5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -13.841 0.983 -4.518 1.00 0.00 H new ATOM 618 N ASN A 38 -11.212 4.539 -5.323 1.00 0.00 N ATOM 619 CA ASN A 38 -10.355 5.715 -5.266 1.00 0.00 C ATOM 620 C ASN A 38 -9.980 6.186 -6.668 1.00 0.00 C ATOM 621 O ASN A 38 -9.753 7.374 -6.894 1.00 0.00 O ATOM 622 CB ASN A 38 -9.090 5.410 -4.459 1.00 0.00 C ATOM 623 CG ASN A 38 -9.294 5.611 -2.970 1.00 0.00 C ATOM 624 OD1 ASN A 38 -10.388 5.958 -2.523 1.00 0.00 O ATOM 625 ND2 ASN A 38 -8.239 5.392 -2.193 1.00 0.00 N ATOM 0 H ASN A 38 -10.811 3.703 -4.898 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.908 6.514 -4.773 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.782 4.381 -4.646 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.279 6.053 -4.802 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.316 5.510 -1.183 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.352 5.106 -2.607 1.00 0.00 H new ATOM 632 N SER A 39 -9.919 5.247 -7.609 1.00 0.00 N ATOM 633 CA SER A 39 -9.573 5.568 -8.988 1.00 0.00 C ATOM 634 C SER A 39 -10.736 6.257 -9.696 1.00 0.00 C ATOM 635 O SER A 39 -10.530 7.121 -10.547 1.00 0.00 O ATOM 636 CB SER A 39 -9.181 4.298 -9.747 1.00 0.00 C ATOM 637 OG SER A 39 -7.838 3.938 -9.479 1.00 0.00 O ATOM 0 H SER A 39 -10.105 4.258 -7.440 1.00 0.00 H new ATOM 0 HA SER A 39 -8.724 6.251 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.844 3.481 -9.462 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.312 4.455 -10.818 1.00 0.00 H new ATOM 0 HG SER A 39 -7.794 3.448 -8.631 1.00 0.00 H new ATOM 643 N CYS A 40 -11.957 5.867 -9.340 1.00 0.00 N ATOM 644 CA CYS A 40 -13.148 6.450 -9.944 1.00 0.00 C ATOM 645 C CYS A 40 -13.205 7.954 -9.697 1.00 0.00 C ATOM 646 O CYS A 40 -13.129 8.409 -8.556 1.00 0.00 O ATOM 647 CB CYS A 40 -14.410 5.785 -9.393 1.00 0.00 C ATOM 648 SG CYS A 40 -15.937 6.354 -10.181 1.00 0.00 S ATOM 0 H CYS A 40 -12.146 5.151 -8.638 1.00 0.00 H new ATOM 0 HA CYS A 40 -13.096 6.277 -11.019 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -14.326 4.706 -9.521 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -14.472 5.975 -8.322 1.00 0.00 H new ATOM 653 N ALA A 41 -13.339 8.722 -10.775 1.00 0.00 N ATOM 654 CA ALA A 41 -13.406 10.174 -10.675 1.00 0.00 C ATOM 655 C ALA A 41 -14.790 10.632 -10.225 1.00 0.00 C ATOM 656 O ALA A 41 -14.918 11.489 -9.352 1.00 0.00 O ATOM 657 CB ALA A 41 -13.048 10.812 -12.010 1.00 0.00 C ATOM 0 H ALA A 41 -13.403 8.361 -11.727 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.684 10.494 -9.924 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.102 11.897 -11.921 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.036 10.521 -12.293 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -13.749 10.475 -12.774 1.00 0.00 H new ATOM 663 N GLN A 42 -15.823 10.056 -10.831 1.00 0.00 N ATOM 664 CA GLN A 42 -17.201 10.402 -10.497 1.00 0.00 C ATOM 665 C GLN A 42 -17.488 10.171 -9.015 1.00 0.00 C ATOM 666 O GLN A 42 -18.334 10.841 -8.426 1.00 0.00 O ATOM 667 CB GLN A 42 -18.173 9.585 -11.351 1.00 0.00 C ATOM 668 CG GLN A 42 -19.452 10.333 -11.698 1.00 0.00 C ATOM 669 CD GLN A 42 -19.492 10.780 -13.145 1.00 0.00 C ATOM 670 OE1 GLN A 42 -18.545 11.383 -13.648 1.00 0.00 O ATOM 671 NE2 GLN A 42 -20.595 10.487 -13.825 1.00 0.00 N ATOM 0 H GLN A 42 -15.732 9.346 -11.558 1.00 0.00 H new ATOM 0 HA GLN A 42 -17.340 11.462 -10.708 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -17.673 9.289 -12.273 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -18.430 8.669 -10.819 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -20.310 9.691 -11.496 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -19.546 11.204 -11.050 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -21.357 9.985 -13.369 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -20.680 10.764 -14.803 1.00 0.00 H new ATOM 680 N CYS A 43 -16.779 9.217 -8.419 1.00 0.00 N ATOM 681 CA CYS A 43 -16.958 8.899 -7.007 1.00 0.00 C ATOM 682 C CYS A 43 -16.006 9.707 -6.129 1.00 0.00 C ATOM 683 O CYS A 43 -16.300 9.976 -4.964 1.00 0.00 O ATOM 684 CB CYS A 43 -16.750 7.401 -6.768 1.00 0.00 C ATOM 685 SG CYS A 43 -18.193 6.382 -7.163 1.00 0.00 S ATOM 0 H CYS A 43 -16.075 8.651 -8.892 1.00 0.00 H new ATOM 0 HA CYS A 43 -17.979 9.166 -6.733 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -15.905 7.062 -7.367 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -16.483 7.244 -5.723 1.00 0.00 H new ATOM 690 N GLN A 44 -14.863 10.093 -6.690 1.00 0.00 N ATOM 691 CA GLN A 44 -13.876 10.871 -5.947 1.00 0.00 C ATOM 692 C GLN A 44 -14.427 12.249 -5.593 1.00 0.00 C ATOM 693 O GLN A 44 -14.325 12.694 -4.451 1.00 0.00 O ATOM 694 CB GLN A 44 -12.587 11.015 -6.762 1.00 0.00 C ATOM 695 CG GLN A 44 -11.548 9.953 -6.447 1.00 0.00 C ATOM 696 CD GLN A 44 -10.228 10.201 -7.151 1.00 0.00 C ATOM 697 OE1 GLN A 44 -9.223 10.523 -6.516 1.00 0.00 O ATOM 698 NE2 GLN A 44 -10.223 10.054 -8.470 1.00 0.00 N ATOM 0 H GLN A 44 -14.598 9.881 -7.652 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.652 10.340 -5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.831 10.970 -7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.157 11.999 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -11.381 9.922 -5.370 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -11.933 8.976 -6.738 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.078 9.786 -8.957 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.364 10.209 -8.997 1.00 0.00 H new ATOM 707 N GLN A 45 -15.008 12.919 -6.583 1.00 0.00 N ATOM 708 CA GLN A 45 -15.574 14.247 -6.379 1.00 0.00 C ATOM 709 C GLN A 45 -17.015 14.155 -5.885 1.00 0.00 C ATOM 710 O GLN A 45 -17.828 13.421 -6.446 1.00 0.00 O ATOM 711 CB GLN A 45 -15.520 15.053 -7.677 1.00 0.00 C ATOM 712 CG GLN A 45 -14.159 15.671 -7.955 1.00 0.00 C ATOM 713 CD GLN A 45 -13.122 14.643 -8.362 1.00 0.00 C ATOM 714 OE1 GLN A 45 -13.459 13.558 -8.837 1.00 0.00 O ATOM 715 NE2 GLN A 45 -11.851 14.981 -8.180 1.00 0.00 N ATOM 0 H GLN A 45 -15.099 12.564 -7.535 1.00 0.00 H new ATOM 0 HA GLN A 45 -14.979 14.754 -5.619 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -15.791 14.404 -8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -16.267 15.845 -7.634 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -14.257 16.415 -8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.814 16.196 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.617 15.891 -7.783 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.108 14.331 -8.437 1.00 0.00 H new ATOM 724 N LYS A 46 -17.323 14.906 -4.832 1.00 0.00 N ATOM 725 CA LYS A 46 -18.666 14.908 -4.263 1.00 0.00 C ATOM 726 C LYS A 46 -19.523 16.000 -4.895 1.00 0.00 C ATOM 727 O LYS A 46 -19.171 17.188 -4.744 1.00 0.00 O ATOM 728 CB LYS A 46 -18.598 15.108 -2.748 1.00 0.00 C ATOM 729 CG LYS A 46 -17.687 14.116 -2.044 1.00 0.00 C ATOM 730 CD LYS A 46 -18.248 13.706 -0.692 1.00 0.00 C ATOM 731 CE LYS A 46 -17.432 12.587 -0.066 1.00 0.00 C ATOM 732 NZ LYS A 46 -18.043 12.094 1.198 1.00 0.00 N ATOM 733 OXT LYS A 46 -20.538 15.656 -5.537 1.00 0.00 O ATOM 0 H LYS A 46 -16.662 15.520 -4.356 1.00 0.00 H new ATOM 0 HA LYS A 46 -19.126 13.943 -4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -18.250 16.120 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -19.603 15.024 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.558 13.232 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.700 14.559 -1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.258 14.568 -0.025 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -19.282 13.382 -0.809 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -17.345 11.762 -0.773 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.421 12.943 0.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.456 11.332 1.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.103 12.875 1.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.998 11.730 1.003 1.00 0.00 H new TER 747 LYS A 46 ATOM 748 N PHE B 1 -2.893 -11.037 2.222 1.00 0.00 N ATOM 749 CA PHE B 1 -2.504 -9.765 1.558 1.00 0.00 C ATOM 750 C PHE B 1 -1.318 -9.112 2.260 1.00 0.00 C ATOM 751 O PHE B 1 -0.233 -9.005 1.694 1.00 0.00 O ATOM 752 CB PHE B 1 -3.710 -8.822 1.569 1.00 0.00 C ATOM 753 CG PHE B 1 -3.530 -7.608 0.704 1.00 0.00 C ATOM 754 CD1 PHE B 1 -3.241 -7.737 -0.644 1.00 0.00 C ATOM 755 CD2 PHE B 1 -3.652 -6.335 1.240 1.00 0.00 C ATOM 756 CE1 PHE B 1 -3.076 -6.620 -1.442 1.00 0.00 C ATOM 757 CE2 PHE B 1 -3.488 -5.216 0.447 1.00 0.00 C ATOM 758 CZ PHE B 1 -3.200 -5.358 -0.895 1.00 0.00 C ATOM 0 H1 PHE B 1 -3.702 -11.457 1.721 1.00 0.00 H new ATOM 0 H2 PHE B 1 -2.091 -11.699 2.201 1.00 0.00 H new ATOM 0 H3 PHE B 1 -3.158 -10.846 3.209 1.00 0.00 H new ATOM 0 HA PHE B 1 -2.199 -9.976 0.533 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -4.592 -9.369 1.235 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -3.902 -8.503 2.593 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -3.143 -8.722 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -3.878 -6.217 2.290 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -2.850 -6.734 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -3.585 -4.230 0.877 1.00 0.00 H new ATOM 0 HZ PHE B 1 -3.072 -4.484 -1.516 1.00 0.00 H new ATOM 770 N LEU B 2 -1.531 -8.675 3.496 1.00 0.00 N ATOM 771 CA LEU B 2 -0.477 -8.030 4.272 1.00 0.00 C ATOM 772 C LEU B 2 0.619 -9.024 4.667 1.00 0.00 C ATOM 773 O LEU B 2 1.740 -8.624 4.972 1.00 0.00 O ATOM 774 CB LEU B 2 -1.065 -7.380 5.527 1.00 0.00 C ATOM 775 CG LEU B 2 -1.501 -5.924 5.357 1.00 0.00 C ATOM 776 CD1 LEU B 2 -2.783 -5.841 4.544 1.00 0.00 C ATOM 777 CD2 LEU B 2 -1.687 -5.260 6.715 1.00 0.00 C ATOM 0 H LEU B 2 -2.424 -8.755 3.983 1.00 0.00 H new ATOM 0 HA LEU B 2 -0.027 -7.262 3.643 1.00 0.00 H new ATOM 0 HB2 LEU B 2 -1.925 -7.965 5.852 1.00 0.00 H new ATOM 0 HB3 LEU B 2 -0.325 -7.431 6.325 1.00 0.00 H new ATOM 0 HG LEU B 2 -0.717 -5.392 4.818 1.00 0.00 H new ATOM 0 HD11 LEU B 2 -3.077 -4.797 4.434 1.00 0.00 H new ATOM 0 HD12 LEU B 2 -2.618 -6.277 3.559 1.00 0.00 H new ATOM 0 HD13 LEU B 2 -3.574 -6.389 5.056 1.00 0.00 H new ATOM 0 HD21 LEU B 2 -1.997 -4.225 6.574 1.00 0.00 H new ATOM 0 HD22 LEU B 2 -2.451 -5.794 7.280 1.00 0.00 H new ATOM 0 HD23 LEU B 2 -0.746 -5.285 7.264 1.00 0.00 H new ATOM 789 N GLU B 3 0.288 -10.314 4.671 1.00 0.00 N ATOM 790 CA GLU B 3 1.249 -11.353 5.044 1.00 0.00 C ATOM 791 C GLU B 3 2.549 -11.247 4.241 1.00 0.00 C ATOM 792 O GLU B 3 3.632 -11.129 4.814 1.00 0.00 O ATOM 793 CB GLU B 3 0.622 -12.739 4.853 1.00 0.00 C ATOM 794 CG GLU B 3 0.766 -13.644 6.068 1.00 0.00 C ATOM 795 CD GLU B 3 0.406 -15.085 5.767 1.00 0.00 C ATOM 796 OE1 GLU B 3 1.278 -15.821 5.257 1.00 0.00 O ATOM 797 OE2 GLU B 3 -0.747 -15.479 6.039 1.00 0.00 O ATOM 0 H GLU B 3 -0.636 -10.665 4.421 1.00 0.00 H new ATOM 0 HA GLU B 3 1.501 -11.208 6.094 1.00 0.00 H new ATOM 0 HB2 GLU B 3 -0.437 -12.621 4.621 1.00 0.00 H new ATOM 0 HB3 GLU B 3 1.085 -13.223 3.993 1.00 0.00 H new ATOM 0 HG2 GLU B 3 1.793 -13.598 6.431 1.00 0.00 H new ATOM 0 HG3 GLU B 3 0.127 -13.274 6.870 1.00 0.00 H new ATOM 804 N LYS B 4 2.436 -11.302 2.919 1.00 0.00 N ATOM 805 CA LYS B 4 3.607 -11.226 2.046 1.00 0.00 C ATOM 806 C LYS B 4 3.975 -9.781 1.706 1.00 0.00 C ATOM 807 O LYS B 4 5.107 -9.503 1.312 1.00 0.00 O ATOM 808 CB LYS B 4 3.354 -12.011 0.757 1.00 0.00 C ATOM 809 CG LYS B 4 3.537 -13.511 0.916 1.00 0.00 C ATOM 810 CD LYS B 4 4.038 -14.148 -0.368 1.00 0.00 C ATOM 811 CE LYS B 4 2.897 -14.419 -1.335 1.00 0.00 C ATOM 812 NZ LYS B 4 3.376 -15.065 -2.588 1.00 0.00 N ATOM 0 H LYS B 4 1.548 -11.399 2.426 1.00 0.00 H new ATOM 0 HA LYS B 4 4.445 -11.665 2.587 1.00 0.00 H new ATOM 0 HB2 LYS B 4 2.339 -11.811 0.412 1.00 0.00 H new ATOM 0 HB3 LYS B 4 4.031 -11.650 -0.018 1.00 0.00 H new ATOM 0 HG2 LYS B 4 4.244 -13.709 1.722 1.00 0.00 H new ATOM 0 HG3 LYS B 4 2.589 -13.966 1.204 1.00 0.00 H new ATOM 0 HD2 LYS B 4 4.769 -13.492 -0.840 1.00 0.00 H new ATOM 0 HD3 LYS B 4 4.550 -15.082 -0.137 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.158 -15.061 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS B 4 2.396 -13.482 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.569 -15.234 -3.222 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.062 -14.442 -3.059 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.832 -15.971 -2.359 1.00 0.00 H new ATOM 826 N ILE B 5 3.023 -8.865 1.853 1.00 0.00 N ATOM 827 CA ILE B 5 3.271 -7.460 1.552 1.00 0.00 C ATOM 828 C ILE B 5 4.020 -6.770 2.696 1.00 0.00 C ATOM 829 O ILE B 5 4.826 -5.869 2.462 1.00 0.00 O ATOM 830 CB ILE B 5 1.950 -6.710 1.250 1.00 0.00 C ATOM 831 CG1 ILE B 5 1.249 -7.349 0.050 1.00 0.00 C ATOM 832 CG2 ILE B 5 2.203 -5.230 0.985 1.00 0.00 C ATOM 833 CD1 ILE B 5 -0.199 -6.931 -0.098 1.00 0.00 C ATOM 0 H ILE B 5 2.078 -9.069 2.177 1.00 0.00 H new ATOM 0 HA ILE B 5 3.898 -7.426 0.661 1.00 0.00 H new ATOM 0 HB ILE B 5 1.307 -6.789 2.126 1.00 0.00 H new ATOM 0 HG12 ILE B 5 1.790 -7.085 -0.859 1.00 0.00 H new ATOM 0 HG13 ILE B 5 1.298 -8.434 0.146 1.00 0.00 H new ATOM 0 HG21 ILE B 5 1.257 -4.731 0.776 1.00 0.00 H new ATOM 0 HG22 ILE B 5 2.666 -4.777 1.862 1.00 0.00 H new ATOM 0 HG23 ILE B 5 2.867 -5.122 0.127 1.00 0.00 H new ATOM 0 HD11 ILE B 5 -0.632 -7.422 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE B 5 -0.754 -7.219 0.795 1.00 0.00 H new ATOM 0 HD13 ILE B 5 -0.254 -5.850 -0.226 1.00 0.00 H new ATOM 845 N GLU B 6 3.754 -7.193 3.930 1.00 0.00 N ATOM 846 CA GLU B 6 4.415 -6.602 5.093 1.00 0.00 C ATOM 847 C GLU B 6 5.935 -6.766 4.994 1.00 0.00 C ATOM 848 O GLU B 6 6.669 -5.780 5.039 1.00 0.00 O ATOM 849 CB GLU B 6 3.897 -7.226 6.392 1.00 0.00 C ATOM 850 CG GLU B 6 2.757 -6.444 7.025 1.00 0.00 C ATOM 851 CD GLU B 6 2.954 -6.219 8.511 1.00 0.00 C ATOM 852 OE1 GLU B 6 4.121 -6.128 8.948 1.00 0.00 O ATOM 853 OE2 GLU B 6 1.942 -6.132 9.238 1.00 0.00 O ATOM 0 H GLU B 6 3.091 -7.936 4.150 1.00 0.00 H new ATOM 0 HA GLU B 6 4.181 -5.537 5.106 1.00 0.00 H new ATOM 0 HB2 GLU B 6 3.561 -8.243 6.189 1.00 0.00 H new ATOM 0 HB3 GLU B 6 4.718 -7.298 7.105 1.00 0.00 H new ATOM 0 HG2 GLU B 6 2.662 -5.480 6.525 1.00 0.00 H new ATOM 0 HG3 GLU B 6 1.821 -6.980 6.864 1.00 0.00 H new ATOM 860 N PRO B 7 6.435 -8.014 4.849 1.00 0.00 N ATOM 861 CA PRO B 7 7.875 -8.278 4.734 1.00 0.00 C ATOM 862 C PRO B 7 8.566 -7.331 3.756 1.00 0.00 C ATOM 863 O PRO B 7 9.709 -6.925 3.964 1.00 0.00 O ATOM 864 CB PRO B 7 7.927 -9.711 4.208 1.00 0.00 C ATOM 865 CG PRO B 7 6.684 -10.348 4.721 1.00 0.00 C ATOM 866 CD PRO B 7 5.644 -9.261 4.781 1.00 0.00 C ATOM 0 HA PRO B 7 8.392 -8.133 5.683 1.00 0.00 H new ATOM 0 HB2 PRO B 7 7.962 -9.732 3.119 1.00 0.00 H new ATOM 0 HB3 PRO B 7 8.815 -10.232 4.565 1.00 0.00 H new ATOM 0 HG2 PRO B 7 6.363 -11.157 4.065 1.00 0.00 H new ATOM 0 HG3 PRO B 7 6.849 -10.783 5.707 1.00 0.00 H new ATOM 0 HD2 PRO B 7 4.999 -9.277 3.903 1.00 0.00 H new ATOM 0 HD3 PRO B 7 4.999 -9.373 5.653 1.00 0.00 H new ATOM 874 N ALA B 8 7.856 -6.979 2.687 1.00 0.00 N ATOM 875 CA ALA B 8 8.390 -6.076 1.677 1.00 0.00 C ATOM 876 C ALA B 8 8.463 -4.649 2.210 1.00 0.00 C ATOM 877 O ALA B 8 9.351 -3.881 1.843 1.00 0.00 O ATOM 878 CB ALA B 8 7.540 -6.129 0.418 1.00 0.00 C ATOM 0 H ALA B 8 6.909 -7.307 2.500 1.00 0.00 H new ATOM 0 HA ALA B 8 9.401 -6.399 1.430 1.00 0.00 H new ATOM 0 HB1 ALA B 8 7.952 -5.449 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA B 8 7.539 -7.144 0.022 1.00 0.00 H new ATOM 0 HB3 ALA B 8 6.519 -5.832 0.656 1.00 0.00 H new ATOM 884 N GLN B 9 7.523 -4.306 3.087 1.00 0.00 N ATOM 885 CA GLN B 9 7.481 -2.976 3.679 1.00 0.00 C ATOM 886 C GLN B 9 8.650 -2.778 4.637 1.00 0.00 C ATOM 887 O GLN B 9 9.286 -1.723 4.647 1.00 0.00 O ATOM 888 CB GLN B 9 6.160 -2.766 4.422 1.00 0.00 C ATOM 889 CG GLN B 9 4.984 -2.481 3.505 1.00 0.00 C ATOM 890 CD GLN B 9 3.654 -2.536 4.229 1.00 0.00 C ATOM 891 OE1 GLN B 9 3.592 -2.381 5.449 1.00 0.00 O ATOM 892 NE2 GLN B 9 2.580 -2.758 3.482 1.00 0.00 N ATOM 0 H GLN B 9 6.782 -4.932 3.402 1.00 0.00 H new ATOM 0 HA GLN B 9 7.558 -2.243 2.876 1.00 0.00 H new ATOM 0 HB2 GLN B 9 5.941 -3.655 5.014 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.274 -1.937 5.121 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.109 -1.496 3.056 1.00 0.00 H new ATOM 0 HG3 GLN B 9 4.980 -3.205 2.690 1.00 0.00 H new ATOM 0 HE21 GLN B 9 2.676 -2.881 2.474 1.00 0.00 H new ATOM 0 HE22 GLN B 9 1.658 -2.806 3.916 1.00 0.00 H new ATOM 901 N GLU B 10 8.933 -3.802 5.436 1.00 0.00 N ATOM 902 CA GLU B 10 10.029 -3.743 6.392 1.00 0.00 C ATOM 903 C GLU B 10 11.365 -3.617 5.669 1.00 0.00 C ATOM 904 O GLU B 10 12.302 -2.997 6.175 1.00 0.00 O ATOM 905 CB GLU B 10 10.030 -4.990 7.279 1.00 0.00 C ATOM 906 CG GLU B 10 8.899 -5.014 8.294 1.00 0.00 C ATOM 907 CD GLU B 10 8.937 -6.245 9.179 1.00 0.00 C ATOM 908 OE1 GLU B 10 8.721 -7.358 8.656 1.00 0.00 O ATOM 909 OE2 GLU B 10 9.187 -6.095 10.394 1.00 0.00 O ATOM 0 H GLU B 10 8.417 -4.682 5.439 1.00 0.00 H new ATOM 0 HA GLU B 10 9.888 -2.863 7.020 1.00 0.00 H new ATOM 0 HB2 GLU B 10 9.959 -5.875 6.647 1.00 0.00 H new ATOM 0 HB3 GLU B 10 10.982 -5.050 7.806 1.00 0.00 H new ATOM 0 HG2 GLU B 10 8.955 -4.121 8.917 1.00 0.00 H new ATOM 0 HG3 GLU B 10 7.944 -4.977 7.770 1.00 0.00 H new ATOM 916 N GLU B 11 11.444 -4.205 4.480 1.00 0.00 N ATOM 917 CA GLU B 11 12.664 -4.156 3.684 1.00 0.00 C ATOM 918 C GLU B 11 12.935 -2.740 3.198 1.00 0.00 C ATOM 919 O GLU B 11 14.062 -2.253 3.292 1.00 0.00 O ATOM 920 CB GLU B 11 12.560 -5.109 2.492 1.00 0.00 C ATOM 921 CG GLU B 11 13.824 -5.174 1.649 1.00 0.00 C ATOM 922 CD GLU B 11 14.739 -6.308 2.063 1.00 0.00 C ATOM 923 OE1 GLU B 11 14.224 -7.382 2.439 1.00 0.00 O ATOM 924 OE2 GLU B 11 15.974 -6.124 2.008 1.00 0.00 O ATOM 0 H GLU B 11 10.678 -4.721 4.047 1.00 0.00 H new ATOM 0 HA GLU B 11 13.495 -4.469 4.316 1.00 0.00 H new ATOM 0 HB2 GLU B 11 12.326 -6.109 2.857 1.00 0.00 H new ATOM 0 HB3 GLU B 11 11.728 -4.797 1.860 1.00 0.00 H new ATOM 0 HG2 GLU B 11 13.552 -5.295 0.601 1.00 0.00 H new ATOM 0 HG3 GLU B 11 14.361 -4.229 1.732 1.00 0.00 H new ATOM 931 N HIS B 12 11.905 -2.071 2.686 1.00 0.00 N ATOM 932 CA HIS B 12 12.073 -0.707 2.204 1.00 0.00 C ATOM 933 C HIS B 12 12.473 0.212 3.354 1.00 0.00 C ATOM 934 O HIS B 12 13.312 1.096 3.193 1.00 0.00 O ATOM 935 CB HIS B 12 10.796 -0.172 1.532 1.00 0.00 C ATOM 936 CG HIS B 12 10.998 1.204 0.987 1.00 0.00 C ATOM 937 ND1 HIS B 12 11.034 1.520 -0.356 1.00 0.00 N ATOM 938 CD2 HIS B 12 11.325 2.333 1.648 1.00 0.00 C ATOM 939 CE1 HIS B 12 11.403 2.810 -0.460 1.00 0.00 C ATOM 940 NE2 HIS B 12 11.587 3.339 0.732 1.00 0.00 N ATOM 0 H HIS B 12 10.960 -2.445 2.596 1.00 0.00 H new ATOM 0 HA HIS B 12 12.864 -0.723 1.454 1.00 0.00 H new ATOM 0 HB2 HIS B 12 10.499 -0.843 0.726 1.00 0.00 H new ATOM 0 HB3 HIS B 12 9.980 -0.162 2.255 1.00 0.00 H new ATOM 0 HD1 HIS B 12 10.820 0.890 -1.129 1.00 0.00 H new ATOM 0 HD2 HIS B 12 11.375 2.437 2.722 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.531 3.339 -1.393 1.00 0.00 H new ATOM 948 N GLU B 13 11.863 0.008 4.511 1.00 0.00 N ATOM 949 CA GLU B 13 12.151 0.828 5.680 1.00 0.00 C ATOM 950 C GLU B 13 13.604 0.683 6.141 1.00 0.00 C ATOM 951 O GLU B 13 14.071 1.467 6.967 1.00 0.00 O ATOM 952 CB GLU B 13 11.209 0.458 6.826 1.00 0.00 C ATOM 953 CG GLU B 13 9.799 0.998 6.653 1.00 0.00 C ATOM 954 CD GLU B 13 8.756 0.134 7.336 1.00 0.00 C ATOM 955 OE1 GLU B 13 9.064 -0.436 8.404 1.00 0.00 O ATOM 956 OE2 GLU B 13 7.633 0.028 6.802 1.00 0.00 O ATOM 0 H GLU B 13 11.165 -0.719 4.667 1.00 0.00 H new ATOM 0 HA GLU B 13 11.995 1.868 5.393 1.00 0.00 H new ATOM 0 HB2 GLU B 13 11.165 -0.628 6.913 1.00 0.00 H new ATOM 0 HB3 GLU B 13 11.622 0.836 7.761 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.749 2.009 7.057 1.00 0.00 H new ATOM 0 HG3 GLU B 13 9.568 1.068 5.590 1.00 0.00 H new ATOM 963 N LYS B 14 14.317 -0.326 5.634 1.00 0.00 N ATOM 964 CA LYS B 14 15.700 -0.551 6.041 1.00 0.00 C ATOM 965 C LYS B 14 16.700 -0.309 4.894 1.00 0.00 C ATOM 966 O LYS B 14 17.896 -0.144 5.142 1.00 0.00 O ATOM 967 CB LYS B 14 15.839 -1.972 6.632 1.00 0.00 C ATOM 968 CG LYS B 14 16.278 -3.055 5.648 1.00 0.00 C ATOM 969 CD LYS B 14 16.359 -4.423 6.318 1.00 0.00 C ATOM 970 CE LYS B 14 15.333 -5.392 5.750 1.00 0.00 C ATOM 971 NZ LYS B 14 15.638 -6.802 6.120 1.00 0.00 N ATOM 0 H LYS B 14 13.961 -0.992 4.948 1.00 0.00 H new ATOM 0 HA LYS B 14 15.951 0.179 6.810 1.00 0.00 H new ATOM 0 HB2 LYS B 14 16.558 -1.937 7.451 1.00 0.00 H new ATOM 0 HB3 LYS B 14 14.880 -2.263 7.061 1.00 0.00 H new ATOM 0 HG2 LYS B 14 15.575 -3.098 4.816 1.00 0.00 H new ATOM 0 HG3 LYS B 14 17.251 -2.795 5.231 1.00 0.00 H new ATOM 0 HD2 LYS B 14 17.360 -4.834 6.185 1.00 0.00 H new ATOM 0 HD3 LYS B 14 16.200 -4.312 7.391 1.00 0.00 H new ATOM 0 HE2 LYS B 14 14.341 -5.127 6.116 1.00 0.00 H new ATOM 0 HE3 LYS B 14 15.307 -5.299 4.664 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 14.916 -7.431 5.714 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 16.574 -7.064 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 15.637 -6.897 7.156 1.00 0.00 H new ATOM 985 N TYR B 15 16.225 -0.305 3.648 1.00 0.00 N ATOM 986 CA TYR B 15 17.119 -0.102 2.501 1.00 0.00 C ATOM 987 C TYR B 15 16.538 0.842 1.436 1.00 0.00 C ATOM 988 O TYR B 15 17.153 1.034 0.387 1.00 0.00 O ATOM 989 CB TYR B 15 17.435 -1.450 1.846 1.00 0.00 C ATOM 990 CG TYR B 15 18.095 -2.447 2.771 1.00 0.00 C ATOM 991 CD1 TYR B 15 19.275 -2.135 3.430 1.00 0.00 C ATOM 992 CD2 TYR B 15 17.540 -3.707 2.977 1.00 0.00 C ATOM 993 CE1 TYR B 15 19.888 -3.046 4.270 1.00 0.00 C ATOM 994 CE2 TYR B 15 18.146 -4.622 3.817 1.00 0.00 C ATOM 995 CZ TYR B 15 19.320 -4.288 4.459 1.00 0.00 C ATOM 996 OH TYR B 15 19.927 -5.197 5.295 1.00 0.00 O ATOM 0 H TYR B 15 15.243 -0.437 3.406 1.00 0.00 H new ATOM 0 HA TYR B 15 18.022 0.366 2.894 1.00 0.00 H new ATOM 0 HB2 TYR B 15 16.510 -1.882 1.464 1.00 0.00 H new ATOM 0 HB3 TYR B 15 18.086 -1.281 0.988 1.00 0.00 H new ATOM 0 HD1 TYR B 15 19.723 -1.163 3.284 1.00 0.00 H new ATOM 0 HD2 TYR B 15 16.623 -3.973 2.473 1.00 0.00 H new ATOM 0 HE1 TYR B 15 20.807 -2.786 4.775 1.00 0.00 H new ATOM 0 HE2 TYR B 15 17.702 -5.595 3.970 1.00 0.00 H new ATOM 0 HH TYR B 15 19.399 -6.022 5.319 1.00 0.00 H new ATOM 1006 N HIS B 16 15.355 1.412 1.690 1.00 0.00 N ATOM 1007 CA HIS B 16 14.686 2.315 0.735 1.00 0.00 C ATOM 1008 C HIS B 16 14.786 1.805 -0.707 1.00 0.00 C ATOM 1009 O HIS B 16 14.898 2.591 -1.648 1.00 0.00 O ATOM 1010 CB HIS B 16 15.235 3.744 0.816 1.00 0.00 C ATOM 1011 CG HIS B 16 14.958 4.446 2.114 1.00 0.00 C ATOM 1012 ND1 HIS B 16 13.761 5.087 2.365 1.00 0.00 N ATOM 1013 CD2 HIS B 16 15.769 4.602 3.190 1.00 0.00 C ATOM 1014 CE1 HIS B 16 13.871 5.609 3.571 1.00 0.00 C ATOM 1015 NE2 HIS B 16 15.070 5.344 4.111 1.00 0.00 N ATOM 0 H HIS B 16 14.834 1.265 2.555 1.00 0.00 H new ATOM 0 HA HIS B 16 13.635 2.330 1.023 1.00 0.00 H new ATOM 0 HB2 HIS B 16 16.313 3.715 0.656 1.00 0.00 H new ATOM 0 HB3 HIS B 16 14.808 4.330 0.002 1.00 0.00 H new ATOM 0 HD2 HIS B 16 16.772 4.217 3.301 1.00 0.00 H new ATOM 0 HE1 HIS B 16 13.095 6.177 4.061 1.00 0.00 H new ATOM 0 HE2 HIS B 16 15.400 5.638 5.030 1.00 0.00 H new ATOM 1023 N SER B 17 14.750 0.485 -0.863 1.00 0.00 N ATOM 1024 CA SER B 17 14.843 -0.135 -2.183 1.00 0.00 C ATOM 1025 C SER B 17 13.735 0.361 -3.109 1.00 0.00 C ATOM 1026 O SER B 17 12.780 1.000 -2.667 1.00 0.00 O ATOM 1027 CB SER B 17 14.778 -1.657 -2.058 1.00 0.00 C ATOM 1028 OG SER B 17 15.950 -2.170 -1.449 1.00 0.00 O ATOM 0 H SER B 17 14.657 -0.177 -0.092 1.00 0.00 H new ATOM 0 HA SER B 17 15.801 0.149 -2.619 1.00 0.00 H new ATOM 0 HB2 SER B 17 13.905 -1.940 -1.469 1.00 0.00 H new ATOM 0 HB3 SER B 17 14.654 -2.101 -3.046 1.00 0.00 H new ATOM 0 HG SER B 17 15.882 -3.145 -1.379 1.00 0.00 H new ATOM 1034 N ASN B 18 13.874 0.060 -4.397 1.00 0.00 N ATOM 1035 CA ASN B 18 12.897 0.470 -5.395 1.00 0.00 C ATOM 1036 C ASN B 18 11.810 -0.591 -5.567 1.00 0.00 C ATOM 1037 O ASN B 18 11.690 -1.508 -4.754 1.00 0.00 O ATOM 1038 CB ASN B 18 13.595 0.734 -6.732 1.00 0.00 C ATOM 1039 CG ASN B 18 14.824 1.608 -6.580 1.00 0.00 C ATOM 1040 OD1 ASN B 18 14.721 2.823 -6.420 1.00 0.00 O ATOM 1041 ND2 ASN B 18 15.999 0.990 -6.630 1.00 0.00 N ATOM 0 H ASN B 18 14.660 -0.470 -4.774 1.00 0.00 H new ATOM 0 HA ASN B 18 12.421 1.389 -5.052 1.00 0.00 H new ATOM 0 HB2 ASN B 18 13.882 -0.216 -7.183 1.00 0.00 H new ATOM 0 HB3 ASN B 18 12.894 1.213 -7.416 1.00 0.00 H new ATOM 0 HD21 ASN B 18 16.862 1.526 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN B 18 16.039 -0.020 -6.764 1.00 0.00 H new ATOM 1048 N VAL B 19 11.017 -0.456 -6.628 1.00 0.00 N ATOM 1049 CA VAL B 19 9.940 -1.402 -6.905 1.00 0.00 C ATOM 1050 C VAL B 19 10.484 -2.712 -7.470 1.00 0.00 C ATOM 1051 O VAL B 19 10.158 -3.791 -6.979 1.00 0.00 O ATOM 1052 CB VAL B 19 8.924 -0.812 -7.904 1.00 0.00 C ATOM 1053 CG1 VAL B 19 7.720 -1.730 -8.056 1.00 0.00 C ATOM 1054 CG2 VAL B 19 8.489 0.577 -7.464 1.00 0.00 C ATOM 0 H VAL B 19 11.100 0.299 -7.309 1.00 0.00 H new ATOM 0 HA VAL B 19 9.441 -1.600 -5.956 1.00 0.00 H new ATOM 0 HB VAL B 19 9.410 -0.728 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL B 19 7.017 -1.293 -8.765 1.00 0.00 H new ATOM 0 HG12 VAL B 19 8.048 -2.703 -8.422 1.00 0.00 H new ATOM 0 HG13 VAL B 19 7.231 -1.852 -7.089 1.00 0.00 H new ATOM 0 HG21 VAL B 19 7.772 0.978 -8.181 1.00 0.00 H new ATOM 0 HG22 VAL B 19 8.024 0.518 -6.480 1.00 0.00 H new ATOM 0 HG23 VAL B 19 9.359 1.232 -7.416 1.00 0.00 H new ATOM 1064 N LYS B 20 11.308 -2.604 -8.507 1.00 0.00 N ATOM 1065 CA LYS B 20 11.899 -3.780 -9.148 1.00 0.00 C ATOM 1066 C LYS B 20 12.639 -4.653 -8.138 1.00 0.00 C ATOM 1067 O LYS B 20 12.617 -5.880 -8.230 1.00 0.00 O ATOM 1068 CB LYS B 20 12.853 -3.345 -10.266 1.00 0.00 C ATOM 1069 CG LYS B 20 13.556 -4.500 -10.969 1.00 0.00 C ATOM 1070 CD LYS B 20 12.571 -5.559 -11.449 1.00 0.00 C ATOM 1071 CE LYS B 20 12.830 -5.954 -12.895 1.00 0.00 C ATOM 1072 NZ LYS B 20 11.967 -7.087 -13.325 1.00 0.00 N ATOM 0 H LYS B 20 11.584 -1.715 -8.924 1.00 0.00 H new ATOM 0 HA LYS B 20 11.089 -4.373 -9.574 1.00 0.00 H new ATOM 0 HB2 LYS B 20 12.293 -2.771 -11.004 1.00 0.00 H new ATOM 0 HB3 LYS B 20 13.605 -2.677 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS B 20 14.120 -4.117 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS B 20 14.275 -4.955 -10.288 1.00 0.00 H new ATOM 0 HD2 LYS B 20 12.645 -6.440 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS B 20 11.554 -5.180 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS B 20 12.652 -5.096 -13.543 1.00 0.00 H new ATOM 0 HE3 LYS B 20 13.878 -6.231 -13.013 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 12.175 -7.325 -14.316 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 12.155 -7.914 -12.723 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 10.967 -6.815 -13.237 1.00 0.00 H new ATOM 1086 N GLU B 21 13.294 -4.013 -7.177 1.00 0.00 N ATOM 1087 CA GLU B 21 14.040 -4.734 -6.152 1.00 0.00 C ATOM 1088 C GLU B 21 13.099 -5.474 -5.208 1.00 0.00 C ATOM 1089 O GLU B 21 13.321 -6.640 -4.883 1.00 0.00 O ATOM 1090 CB GLU B 21 14.924 -3.768 -5.361 1.00 0.00 C ATOM 1091 CG GLU B 21 15.780 -4.449 -4.305 1.00 0.00 C ATOM 1092 CD GLU B 21 17.267 -4.286 -4.556 1.00 0.00 C ATOM 1093 OE1 GLU B 21 17.752 -4.785 -5.593 1.00 0.00 O ATOM 1094 OE2 GLU B 21 17.945 -3.660 -3.715 1.00 0.00 O ATOM 0 H GLU B 21 13.324 -2.998 -7.086 1.00 0.00 H new ATOM 0 HA GLU B 21 14.672 -5.469 -6.650 1.00 0.00 H new ATOM 0 HB2 GLU B 21 15.574 -3.234 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU B 21 14.292 -3.023 -4.878 1.00 0.00 H new ATOM 0 HG2 GLU B 21 15.535 -4.038 -3.326 1.00 0.00 H new ATOM 0 HG3 GLU B 21 15.536 -5.511 -4.276 1.00 0.00 H new ATOM 1101 N LEU B 22 12.046 -4.790 -4.774 1.00 0.00 N ATOM 1102 CA LEU B 22 11.072 -5.384 -3.869 1.00 0.00 C ATOM 1103 C LEU B 22 10.241 -6.441 -4.587 1.00 0.00 C ATOM 1104 O LEU B 22 9.923 -7.488 -4.023 1.00 0.00 O ATOM 1105 CB LEU B 22 10.154 -4.304 -3.296 1.00 0.00 C ATOM 1106 CG LEU B 22 10.836 -3.290 -2.376 1.00 0.00 C ATOM 1107 CD1 LEU B 22 9.953 -2.067 -2.179 1.00 0.00 C ATOM 1108 CD2 LEU B 22 11.174 -3.929 -1.036 1.00 0.00 C ATOM 0 H LEU B 22 11.846 -3.824 -5.035 1.00 0.00 H new ATOM 0 HA LEU B 22 11.614 -5.862 -3.053 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.692 -3.766 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.350 -4.789 -2.743 1.00 0.00 H new ATOM 0 HG LEU B 22 11.765 -2.968 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU B 22 10.456 -1.357 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.763 -1.596 -3.144 1.00 0.00 H new ATOM 0 HD13 LEU B 22 9.007 -2.370 -1.730 1.00 0.00 H new ATOM 0 HD21 LEU B 22 11.659 -3.193 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU B 22 10.259 -4.280 -0.559 1.00 0.00 H new ATOM 0 HD23 LEU B 22 11.847 -4.772 -1.194 1.00 0.00 H new ATOM 1120 N SER B 23 9.887 -6.156 -5.835 1.00 0.00 N ATOM 1121 CA SER B 23 9.086 -7.077 -6.633 1.00 0.00 C ATOM 1122 C SER B 23 9.908 -8.288 -7.067 1.00 0.00 C ATOM 1123 O SER B 23 9.400 -9.406 -7.117 1.00 0.00 O ATOM 1124 CB SER B 23 8.527 -6.360 -7.864 1.00 0.00 C ATOM 1125 OG SER B 23 8.038 -7.288 -8.817 1.00 0.00 O ATOM 0 H SER B 23 10.142 -5.294 -6.316 1.00 0.00 H new ATOM 0 HA SER B 23 8.260 -7.428 -6.014 1.00 0.00 H new ATOM 0 HB2 SER B 23 7.725 -5.686 -7.563 1.00 0.00 H new ATOM 0 HB3 SER B 23 9.306 -5.746 -8.316 1.00 0.00 H new ATOM 0 HG SER B 23 7.089 -7.464 -8.645 1.00 0.00 H new ATOM 1131 N HIS B 24 11.179 -8.059 -7.386 1.00 0.00 N ATOM 1132 CA HIS B 24 12.062 -9.135 -7.820 1.00 0.00 C ATOM 1133 C HIS B 24 12.595 -9.929 -6.627 1.00 0.00 C ATOM 1134 O HIS B 24 12.875 -11.122 -6.741 1.00 0.00 O ATOM 1135 CB HIS B 24 13.224 -8.561 -8.634 1.00 0.00 C ATOM 1136 CG HIS B 24 14.191 -9.596 -9.120 1.00 0.00 C ATOM 1137 ND1 HIS B 24 13.821 -10.555 -10.032 1.00 0.00 N ATOM 1138 CD2 HIS B 24 15.492 -9.774 -8.792 1.00 0.00 C ATOM 1139 CE1 HIS B 24 14.897 -11.292 -10.238 1.00 0.00 C ATOM 1140 NE2 HIS B 24 15.936 -10.858 -9.509 1.00 0.00 N ATOM 0 H HIS B 24 11.619 -7.139 -7.352 1.00 0.00 H new ATOM 0 HA HIS B 24 11.486 -9.816 -8.446 1.00 0.00 H new ATOM 0 HB2 HIS B 24 12.823 -8.021 -9.492 1.00 0.00 H new ATOM 0 HB3 HIS B 24 13.760 -7.835 -8.023 1.00 0.00 H new ATOM 0 HD2 HIS B 24 16.069 -9.179 -8.100 1.00 0.00 H new ATOM 0 HE1 HIS B 24 14.936 -12.138 -10.909 1.00 0.00 H new ATOM 0 HE2 HIS B 24 16.875 -11.256 -9.491 1.00 0.00 H new ATOM 1148 N LYS B 25 12.738 -9.260 -5.488 1.00 0.00 N ATOM 1149 CA LYS B 25 13.246 -9.906 -4.283 1.00 0.00 C ATOM 1150 C LYS B 25 12.162 -10.732 -3.596 1.00 0.00 C ATOM 1151 O LYS B 25 12.418 -11.843 -3.132 1.00 0.00 O ATOM 1152 CB LYS B 25 13.798 -8.861 -3.311 1.00 0.00 C ATOM 1153 CG LYS B 25 14.435 -9.460 -2.068 1.00 0.00 C ATOM 1154 CD LYS B 25 13.419 -9.656 -0.953 1.00 0.00 C ATOM 1155 CE LYS B 25 13.610 -10.990 -0.248 1.00 0.00 C ATOM 1156 NZ LYS B 25 15.044 -11.259 0.052 1.00 0.00 N ATOM 0 H LYS B 25 12.510 -8.272 -5.374 1.00 0.00 H new ATOM 0 HA LYS B 25 14.050 -10.579 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS B 25 14.537 -8.250 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS B 25 12.989 -8.195 -3.009 1.00 0.00 H new ATOM 0 HG2 LYS B 25 14.890 -10.418 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS B 25 15.236 -8.808 -1.720 1.00 0.00 H new ATOM 0 HD2 LYS B 25 13.511 -8.846 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS B 25 12.411 -9.603 -1.365 1.00 0.00 H new ATOM 0 HE2 LYS B 25 13.038 -10.996 0.680 1.00 0.00 H new ATOM 0 HE3 LYS B 25 13.213 -11.791 -0.872 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 15.115 -11.854 0.902 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 15.481 -11.751 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 15.539 -10.359 0.217 1.00 0.00 H new ATOM 1170 N PHE B 26 10.954 -10.181 -3.524 1.00 0.00 N ATOM 1171 CA PHE B 26 9.839 -10.870 -2.881 1.00 0.00 C ATOM 1172 C PHE B 26 8.951 -11.569 -3.908 1.00 0.00 C ATOM 1173 O PHE B 26 8.650 -12.754 -3.772 1.00 0.00 O ATOM 1174 CB PHE B 26 9.016 -9.882 -2.054 1.00 0.00 C ATOM 1175 CG PHE B 26 9.754 -9.351 -0.856 1.00 0.00 C ATOM 1176 CD1 PHE B 26 9.756 -10.052 0.338 1.00 0.00 C ATOM 1177 CD2 PHE B 26 10.451 -8.156 -0.930 1.00 0.00 C ATOM 1178 CE1 PHE B 26 10.439 -9.569 1.439 1.00 0.00 C ATOM 1179 CE2 PHE B 26 11.136 -7.670 0.167 1.00 0.00 C ATOM 1180 CZ PHE B 26 11.132 -8.377 1.353 1.00 0.00 C ATOM 0 H PHE B 26 10.722 -9.262 -3.902 1.00 0.00 H new ATOM 0 HA PHE B 26 10.250 -11.633 -2.220 1.00 0.00 H new ATOM 0 HB2 PHE B 26 8.718 -9.047 -2.688 1.00 0.00 H new ATOM 0 HB3 PHE B 26 8.101 -10.371 -1.721 1.00 0.00 H new ATOM 0 HD1 PHE B 26 9.218 -10.986 0.410 1.00 0.00 H new ATOM 0 HD2 PHE B 26 10.459 -7.598 -1.855 1.00 0.00 H new ATOM 0 HE1 PHE B 26 10.431 -10.123 2.366 1.00 0.00 H new ATOM 0 HE2 PHE B 26 11.675 -6.737 0.097 1.00 0.00 H new ATOM 0 HZ PHE B 26 11.669 -7.999 2.211 1.00 0.00 H new ATOM 1190 N GLY B 27 8.537 -10.832 -4.934 1.00 0.00 N ATOM 1191 CA GLY B 27 7.689 -11.408 -5.964 1.00 0.00 C ATOM 1192 C GLY B 27 6.302 -10.797 -5.987 1.00 0.00 C ATOM 1193 O GLY B 27 5.309 -11.504 -6.161 1.00 0.00 O ATOM 0 H GLY B 27 8.772 -9.849 -5.071 1.00 0.00 H new ATOM 0 HA2 GLY B 27 8.160 -11.268 -6.937 1.00 0.00 H new ATOM 0 HA3 GLY B 27 7.606 -12.483 -5.802 1.00 0.00 H new ATOM 1197 N ILE B 28 6.230 -9.480 -5.813 1.00 0.00 N ATOM 1198 CA ILE B 28 4.952 -8.778 -5.820 1.00 0.00 C ATOM 1199 C ILE B 28 4.829 -7.876 -7.047 1.00 0.00 C ATOM 1200 O ILE B 28 5.824 -7.332 -7.523 1.00 0.00 O ATOM 1201 CB ILE B 28 4.773 -7.923 -4.550 1.00 0.00 C ATOM 1202 CG1 ILE B 28 5.919 -6.919 -4.418 1.00 0.00 C ATOM 1203 CG2 ILE B 28 4.697 -8.812 -3.317 1.00 0.00 C ATOM 1204 CD1 ILE B 28 5.760 -5.973 -3.246 1.00 0.00 C ATOM 0 H ILE B 28 7.041 -8.879 -5.666 1.00 0.00 H new ATOM 0 HA ILE B 28 4.172 -9.539 -5.849 1.00 0.00 H new ATOM 0 HB ILE B 28 3.838 -7.370 -4.633 1.00 0.00 H new ATOM 0 HG12 ILE B 28 6.858 -7.463 -4.311 1.00 0.00 H new ATOM 0 HG13 ILE B 28 5.990 -6.338 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE B 28 4.571 -8.193 -2.429 1.00 0.00 H new ATOM 0 HG22 ILE B 28 3.849 -9.491 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE B 28 5.617 -9.390 -3.228 1.00 0.00 H new ATOM 0 HD11 ILE B 28 6.608 -5.289 -3.213 1.00 0.00 H new ATOM 0 HD12 ILE B 28 4.838 -5.403 -3.361 1.00 0.00 H new ATOM 0 HD13 ILE B 28 5.719 -6.545 -2.319 1.00 0.00 H new ATOM 1216 N PRO B 29 3.603 -7.700 -7.583 1.00 0.00 N ATOM 1217 CA PRO B 29 3.379 -6.855 -8.761 1.00 0.00 C ATOM 1218 C PRO B 29 3.933 -5.447 -8.575 1.00 0.00 C ATOM 1219 O PRO B 29 4.271 -5.045 -7.461 1.00 0.00 O ATOM 1220 CB PRO B 29 1.853 -6.815 -8.892 1.00 0.00 C ATOM 1221 CG PRO B 29 1.381 -8.056 -8.220 1.00 0.00 C ATOM 1222 CD PRO B 29 2.346 -8.304 -7.092 1.00 0.00 C ATOM 0 HA PRO B 29 3.884 -7.248 -9.644 1.00 0.00 H new ATOM 0 HB2 PRO B 29 1.438 -5.926 -8.417 1.00 0.00 H new ATOM 0 HB3 PRO B 29 1.546 -6.790 -9.938 1.00 0.00 H new ATOM 0 HG2 PRO B 29 0.364 -7.935 -7.846 1.00 0.00 H new ATOM 0 HG3 PRO B 29 1.367 -8.896 -8.915 1.00 0.00 H new ATOM 0 HD2 PRO B 29 2.011 -7.838 -6.165 1.00 0.00 H new ATOM 0 HD3 PRO B 29 2.463 -9.369 -6.889 1.00 0.00 H new ATOM 1230 N ASN B 30 4.027 -4.704 -9.673 1.00 0.00 N ATOM 1231 CA ASN B 30 4.544 -3.342 -9.628 1.00 0.00 C ATOM 1232 C ASN B 30 3.632 -2.442 -8.798 1.00 0.00 C ATOM 1233 O ASN B 30 4.096 -1.521 -8.125 1.00 0.00 O ATOM 1234 CB ASN B 30 4.688 -2.785 -11.049 1.00 0.00 C ATOM 1235 CG ASN B 30 6.053 -2.173 -11.294 1.00 0.00 C ATOM 1236 OD1 ASN B 30 6.177 -0.964 -11.488 1.00 0.00 O ATOM 1237 ND2 ASN B 30 7.086 -3.008 -11.287 1.00 0.00 N ATOM 0 H ASN B 30 3.752 -5.022 -10.603 1.00 0.00 H new ATOM 0 HA ASN B 30 5.525 -3.363 -9.154 1.00 0.00 H new ATOM 0 HB2 ASN B 30 4.517 -3.585 -11.769 1.00 0.00 H new ATOM 0 HB3 ASN B 30 3.919 -2.032 -11.221 1.00 0.00 H new ATOM 0 HD21 ASN B 30 8.029 -2.654 -11.447 1.00 0.00 H new ATOM 0 HD22 ASN B 30 6.936 -4.003 -11.122 1.00 0.00 H new ATOM 1244 N LEU B 31 2.332 -2.716 -8.849 1.00 0.00 N ATOM 1245 CA LEU B 31 1.353 -1.932 -8.103 1.00 0.00 C ATOM 1246 C LEU B 31 1.602 -2.036 -6.602 1.00 0.00 C ATOM 1247 O LEU B 31 1.647 -1.026 -5.899 1.00 0.00 O ATOM 1248 CB LEU B 31 -0.065 -2.407 -8.431 1.00 0.00 C ATOM 1249 CG LEU B 31 -1.154 -1.342 -8.291 1.00 0.00 C ATOM 1250 CD1 LEU B 31 -2.281 -1.601 -9.277 1.00 0.00 C ATOM 1251 CD2 LEU B 31 -1.688 -1.308 -6.866 1.00 0.00 C ATOM 0 H LEU B 31 1.932 -3.476 -9.400 1.00 0.00 H new ATOM 0 HA LEU B 31 1.458 -0.888 -8.398 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -0.078 -2.785 -9.453 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -0.311 -3.244 -7.778 1.00 0.00 H new ATOM 0 HG LEU B 31 -0.716 -0.370 -8.516 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -3.047 -0.834 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -1.888 -1.574 -10.293 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -2.717 -2.581 -9.082 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -2.462 -0.544 -6.786 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -2.110 -2.280 -6.612 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -0.875 -1.075 -6.178 1.00 0.00 H new ATOM 1263 N VAL B 32 1.760 -3.261 -6.116 1.00 0.00 N ATOM 1264 CA VAL B 32 2.002 -3.496 -4.699 1.00 0.00 C ATOM 1265 C VAL B 32 3.323 -2.875 -4.255 1.00 0.00 C ATOM 1266 O VAL B 32 3.381 -2.170 -3.249 1.00 0.00 O ATOM 1267 CB VAL B 32 2.020 -5.001 -4.369 1.00 0.00 C ATOM 1268 CG1 VAL B 32 2.057 -5.216 -2.865 1.00 0.00 C ATOM 1269 CG2 VAL B 32 0.813 -5.695 -4.985 1.00 0.00 C ATOM 0 H VAL B 32 1.725 -4.108 -6.684 1.00 0.00 H new ATOM 0 HA VAL B 32 1.181 -3.025 -4.159 1.00 0.00 H new ATOM 0 HB VAL B 32 2.921 -5.439 -4.797 1.00 0.00 H new ATOM 0 HG11 VAL B 32 2.069 -6.285 -2.650 1.00 0.00 H new ATOM 0 HG12 VAL B 32 2.954 -4.753 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL B 32 1.175 -4.765 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL B 32 0.841 -6.757 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL B 32 -0.102 -5.256 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL B 32 0.834 -5.569 -6.068 1.00 0.00 H new ATOM 1279 N ALA B 33 4.380 -3.142 -5.015 1.00 0.00 N ATOM 1280 CA ALA B 33 5.701 -2.609 -4.699 1.00 0.00 C ATOM 1281 C ALA B 33 5.714 -1.086 -4.780 1.00 0.00 C ATOM 1282 O ALA B 33 6.415 -0.421 -4.018 1.00 0.00 O ATOM 1283 CB ALA B 33 6.746 -3.200 -5.633 1.00 0.00 C ATOM 0 H ALA B 33 4.348 -3.723 -5.853 1.00 0.00 H new ATOM 0 HA ALA B 33 5.944 -2.893 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.727 -2.793 -5.386 1.00 0.00 H new ATOM 0 HB2 ALA B 33 6.764 -4.284 -5.520 1.00 0.00 H new ATOM 0 HB3 ALA B 33 6.498 -2.947 -6.664 1.00 0.00 H new ATOM 1289 N ARG B 34 4.934 -0.538 -5.708 1.00 0.00 N ATOM 1290 CA ARG B 34 4.861 0.909 -5.885 1.00 0.00 C ATOM 1291 C ARG B 34 4.159 1.568 -4.701 1.00 0.00 C ATOM 1292 O ARG B 34 4.442 2.717 -4.362 1.00 0.00 O ATOM 1293 CB ARG B 34 4.127 1.251 -7.184 1.00 0.00 C ATOM 1294 CG ARG B 34 5.046 1.360 -8.392 1.00 0.00 C ATOM 1295 CD ARG B 34 4.298 1.100 -9.689 1.00 0.00 C ATOM 1296 NE ARG B 34 4.871 1.840 -10.812 1.00 0.00 N ATOM 1297 CZ ARG B 34 4.653 3.136 -11.042 1.00 0.00 C ATOM 1298 NH1 ARG B 34 3.881 3.848 -10.228 1.00 0.00 N ATOM 1299 NH2 ARG B 34 5.211 3.722 -12.094 1.00 0.00 N ATOM 0 H ARG B 34 4.345 -1.072 -6.347 1.00 0.00 H new ATOM 0 HA ARG B 34 5.879 1.294 -5.941 1.00 0.00 H new ATOM 0 HB2 ARG B 34 3.374 0.487 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG B 34 3.597 2.195 -7.055 1.00 0.00 H new ATOM 0 HG2 ARG B 34 5.492 2.354 -8.422 1.00 0.00 H new ATOM 0 HG3 ARG B 34 5.864 0.646 -8.293 1.00 0.00 H new ATOM 0 HD2 ARG B 34 4.318 0.033 -9.911 1.00 0.00 H new ATOM 0 HD3 ARG B 34 3.252 1.381 -9.566 1.00 0.00 H new ATOM 0 HE ARG B 34 5.475 1.334 -11.460 1.00 0.00 H new ATOM 0 HH11 ARG B 34 3.448 3.404 -9.418 1.00 0.00 H new ATOM 0 HH12 ARG B 34 3.721 4.838 -10.413 1.00 0.00 H new ATOM 0 HH21 ARG B 34 5.804 3.182 -12.724 1.00 0.00 H new ATOM 0 HH22 ARG B 34 5.046 4.713 -12.273 1.00 0.00 H new ATOM 1313 N GLN B 35 3.240 0.837 -4.079 1.00 0.00 N ATOM 1314 CA GLN B 35 2.498 1.354 -2.937 1.00 0.00 C ATOM 1315 C GLN B 35 3.417 1.575 -1.740 1.00 0.00 C ATOM 1316 O GLN B 35 3.272 2.551 -1.005 1.00 0.00 O ATOM 1317 CB GLN B 35 1.367 0.394 -2.561 1.00 0.00 C ATOM 1318 CG GLN B 35 0.116 0.567 -3.407 1.00 0.00 C ATOM 1319 CD GLN B 35 -0.757 1.712 -2.930 1.00 0.00 C ATOM 1320 OE1 GLN B 35 -1.063 1.821 -1.743 1.00 0.00 O ATOM 1321 NE2 GLN B 35 -1.164 2.571 -3.858 1.00 0.00 N ATOM 0 H GLN B 35 2.992 -0.115 -4.347 1.00 0.00 H new ATOM 0 HA GLN B 35 2.070 2.316 -3.220 1.00 0.00 H new ATOM 0 HB2 GLN B 35 1.724 -0.631 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN B 35 1.110 0.542 -1.512 1.00 0.00 H new ATOM 0 HG2 GLN B 35 0.404 0.742 -4.444 1.00 0.00 H new ATOM 0 HG3 GLN B 35 -0.461 -0.357 -3.388 1.00 0.00 H new ATOM 0 HE21 GLN B 35 -0.885 2.441 -4.831 1.00 0.00 H new ATOM 0 HE22 GLN B 35 -1.755 3.361 -3.598 1.00 0.00 H new ATOM 1330 N ILE B 36 4.367 0.664 -1.551 1.00 0.00 N ATOM 1331 CA ILE B 36 5.312 0.767 -0.445 1.00 0.00 C ATOM 1332 C ILE B 36 6.204 1.995 -0.607 1.00 0.00 C ATOM 1333 O ILE B 36 6.301 2.825 0.296 1.00 0.00 O ATOM 1334 CB ILE B 36 6.192 -0.498 -0.336 1.00 0.00 C ATOM 1335 CG1 ILE B 36 5.315 -1.751 -0.261 1.00 0.00 C ATOM 1336 CG2 ILE B 36 7.105 -0.415 0.882 1.00 0.00 C ATOM 1337 CD1 ILE B 36 6.099 -3.042 -0.328 1.00 0.00 C ATOM 0 H ILE B 36 4.502 -0.152 -2.148 1.00 0.00 H new ATOM 0 HA ILE B 36 4.729 0.865 0.470 1.00 0.00 H new ATOM 0 HB ILE B 36 6.815 -0.561 -1.228 1.00 0.00 H new ATOM 0 HG12 ILE B 36 4.744 -1.730 0.667 1.00 0.00 H new ATOM 0 HG13 ILE B 36 4.595 -1.730 -1.079 1.00 0.00 H new ATOM 0 HG21 ILE B 36 7.716 -1.316 0.941 1.00 0.00 H new ATOM 0 HG22 ILE B 36 7.752 0.458 0.793 1.00 0.00 H new ATOM 0 HG23 ILE B 36 6.500 -0.328 1.785 1.00 0.00 H new ATOM 0 HD11 ILE B 36 5.414 -3.887 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE B 36 6.649 -3.085 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE B 36 6.801 -3.085 0.505 1.00 0.00 H new ATOM 1349 N VAL B 37 6.848 2.106 -1.764 1.00 0.00 N ATOM 1350 CA VAL B 37 7.726 3.236 -2.042 1.00 0.00 C ATOM 1351 C VAL B 37 6.943 4.545 -2.047 1.00 0.00 C ATOM 1352 O VAL B 37 7.416 5.566 -1.544 1.00 0.00 O ATOM 1353 CB VAL B 37 8.446 3.074 -3.394 1.00 0.00 C ATOM 1354 CG1 VAL B 37 9.471 4.182 -3.594 1.00 0.00 C ATOM 1355 CG2 VAL B 37 9.105 1.706 -3.486 1.00 0.00 C ATOM 0 H VAL B 37 6.778 1.428 -2.523 1.00 0.00 H new ATOM 0 HA VAL B 37 8.472 3.261 -1.248 1.00 0.00 H new ATOM 0 HB VAL B 37 7.705 3.151 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL B 37 9.968 4.049 -4.555 1.00 0.00 H new ATOM 0 HG12 VAL B 37 8.969 5.149 -3.576 1.00 0.00 H new ATOM 0 HG13 VAL B 37 10.211 4.142 -2.794 1.00 0.00 H new ATOM 0 HG21 VAL B 37 9.609 1.609 -4.448 1.00 0.00 H new ATOM 0 HG22 VAL B 37 9.833 1.598 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL B 37 8.346 0.929 -3.394 1.00 0.00 H new ATOM 1365 N ASN B 38 5.742 4.506 -2.614 1.00 0.00 N ATOM 1366 CA ASN B 38 4.892 5.689 -2.682 1.00 0.00 C ATOM 1367 C ASN B 38 4.518 6.173 -1.282 1.00 0.00 C ATOM 1368 O ASN B 38 4.301 7.364 -1.065 1.00 0.00 O ATOM 1369 CB ASN B 38 3.628 5.388 -3.488 1.00 0.00 C ATOM 1370 CG ASN B 38 3.835 5.579 -4.979 1.00 0.00 C ATOM 1371 OD1 ASN B 38 4.932 5.916 -5.424 1.00 0.00 O ATOM 1372 ND2 ASN B 38 2.781 5.363 -5.757 1.00 0.00 N ATOM 0 H ASN B 38 5.336 3.669 -3.033 1.00 0.00 H new ATOM 0 HA ASN B 38 5.451 6.480 -3.181 1.00 0.00 H new ATOM 0 HB2 ASN B 38 3.313 4.362 -3.296 1.00 0.00 H new ATOM 0 HB3 ASN B 38 2.821 6.038 -3.150 1.00 0.00 H new ATOM 0 HD21 ASN B 38 2.862 5.475 -6.768 1.00 0.00 H new ATOM 0 HD22 ASN B 38 1.891 5.085 -5.344 1.00 0.00 H new ATOM 1379 N SER B 39 4.447 5.239 -0.336 1.00 0.00 N ATOM 1380 CA SER B 39 4.102 5.572 1.040 1.00 0.00 C ATOM 1381 C SER B 39 5.268 6.257 1.746 1.00 0.00 C ATOM 1382 O SER B 39 5.068 7.130 2.592 1.00 0.00 O ATOM 1383 CB SER B 39 3.699 4.311 1.809 1.00 0.00 C ATOM 1384 OG SER B 39 2.353 3.958 1.539 1.00 0.00 O ATOM 0 H SER B 39 4.624 4.248 -0.499 1.00 0.00 H new ATOM 0 HA SER B 39 3.258 6.262 1.016 1.00 0.00 H new ATOM 0 HB2 SER B 39 4.357 3.487 1.533 1.00 0.00 H new ATOM 0 HB3 SER B 39 3.827 4.477 2.879 1.00 0.00 H new ATOM 0 HG SER B 39 2.312 3.435 0.711 1.00 0.00 H new ATOM 1390 N CYS B 40 6.486 5.856 1.395 1.00 0.00 N ATOM 1391 CA CYS B 40 7.682 6.434 2.000 1.00 0.00 C ATOM 1392 C CYS B 40 7.750 7.936 1.742 1.00 0.00 C ATOM 1393 O CYS B 40 7.681 8.384 0.598 1.00 0.00 O ATOM 1394 CB CYS B 40 8.941 5.756 1.456 1.00 0.00 C ATOM 1395 SG CYS B 40 10.468 6.319 2.241 1.00 0.00 S ATOM 0 H CYS B 40 6.671 5.136 0.697 1.00 0.00 H new ATOM 0 HA CYS B 40 7.627 6.267 3.076 1.00 0.00 H new ATOM 0 HB2 CYS B 40 8.850 4.678 1.591 1.00 0.00 H new ATOM 0 HB3 CYS B 40 9.006 5.938 0.383 1.00 0.00 H new ATOM 1400 N ALA B 41 7.889 8.709 2.815 1.00 0.00 N ATOM 1401 CA ALA B 41 7.966 10.162 2.706 1.00 0.00 C ATOM 1402 C ALA B 41 9.353 10.606 2.258 1.00 0.00 C ATOM 1403 O ALA B 41 9.490 11.457 1.379 1.00 0.00 O ATOM 1404 CB ALA B 41 7.609 10.808 4.037 1.00 0.00 C ATOM 0 H ALA B 41 7.951 8.354 3.769 1.00 0.00 H new ATOM 0 HA ALA B 41 7.249 10.484 1.951 1.00 0.00 H new ATOM 0 HB1 ALA B 41 7.670 11.892 3.943 1.00 0.00 H new ATOM 0 HB2 ALA B 41 6.595 10.525 4.319 1.00 0.00 H new ATOM 0 HB3 ALA B 41 8.306 10.470 4.804 1.00 0.00 H new ATOM 1410 N GLN B 42 10.381 10.025 2.870 1.00 0.00 N ATOM 1411 CA GLN B 42 11.763 10.361 2.535 1.00 0.00 C ATOM 1412 C GLN B 42 12.050 10.118 1.055 1.00 0.00 C ATOM 1413 O GLN B 42 12.902 10.779 0.462 1.00 0.00 O ATOM 1414 CB GLN B 42 12.728 9.542 3.395 1.00 0.00 C ATOM 1415 CG GLN B 42 14.010 10.283 3.740 1.00 0.00 C ATOM 1416 CD GLN B 42 14.051 10.739 5.186 1.00 0.00 C ATOM 1417 OE1 GLN B 42 13.106 11.352 5.683 1.00 0.00 O ATOM 1418 NE2 GLN B 42 15.150 10.443 5.868 1.00 0.00 N ATOM 0 H GLN B 42 10.284 9.319 3.600 1.00 0.00 H new ATOM 0 HA GLN B 42 11.909 11.422 2.739 1.00 0.00 H new ATOM 0 HB2 GLN B 42 12.225 9.254 4.318 1.00 0.00 H new ATOM 0 HB3 GLN B 42 12.980 8.622 2.868 1.00 0.00 H new ATOM 0 HG2 GLN B 42 14.864 9.635 3.543 1.00 0.00 H new ATOM 0 HG3 GLN B 42 14.111 11.150 3.087 1.00 0.00 H new ATOM 0 HE21 GLN B 42 15.909 9.933 5.416 1.00 0.00 H new ATOM 0 HE22 GLN B 42 15.236 10.725 6.844 1.00 0.00 H new ATOM 1427 N CYS B 43 11.336 9.165 0.463 1.00 0.00 N ATOM 1428 CA CYS B 43 11.516 8.836 -0.947 1.00 0.00 C ATOM 1429 C CYS B 43 10.569 9.645 -1.831 1.00 0.00 C ATOM 1430 O CYS B 43 10.868 9.904 -2.998 1.00 0.00 O ATOM 1431 CB CYS B 43 11.299 7.340 -1.178 1.00 0.00 C ATOM 1432 SG CYS B 43 12.733 6.313 -0.774 1.00 0.00 S ATOM 0 H CYS B 43 10.627 8.607 0.938 1.00 0.00 H new ATOM 0 HA CYS B 43 12.539 9.094 -1.220 1.00 0.00 H new ATOM 0 HB2 CYS B 43 10.450 7.011 -0.579 1.00 0.00 H new ATOM 0 HB3 CYS B 43 11.034 7.180 -2.223 1.00 0.00 H new ATOM 1437 N GLN B 44 9.430 10.044 -1.275 1.00 0.00 N ATOM 1438 CA GLN B 44 8.449 10.824 -2.024 1.00 0.00 C ATOM 1439 C GLN B 44 9.011 12.196 -2.385 1.00 0.00 C ATOM 1440 O GLN B 44 8.916 12.634 -3.532 1.00 0.00 O ATOM 1441 CB GLN B 44 7.161 10.981 -1.212 1.00 0.00 C ATOM 1442 CG GLN B 44 6.113 9.925 -1.524 1.00 0.00 C ATOM 1443 CD GLN B 44 4.794 10.189 -0.823 1.00 0.00 C ATOM 1444 OE1 GLN B 44 3.793 10.514 -1.463 1.00 0.00 O ATOM 1445 NE2 GLN B 44 4.787 10.048 0.497 1.00 0.00 N ATOM 0 H GLN B 44 9.163 9.841 -0.312 1.00 0.00 H new ATOM 0 HA GLN B 44 8.222 10.290 -2.946 1.00 0.00 H new ATOM 0 HB2 GLN B 44 7.403 10.938 -0.150 1.00 0.00 H new ATOM 0 HB3 GLN B 44 6.739 11.968 -1.403 1.00 0.00 H new ATOM 0 HG2 GLN B 44 5.947 9.889 -2.601 1.00 0.00 H new ATOM 0 HG3 GLN B 44 6.489 8.946 -1.227 1.00 0.00 H new ATOM 0 HE21 GLN B 44 5.640 9.777 0.985 1.00 0.00 H new ATOM 0 HE22 GLN B 44 3.928 10.211 1.023 1.00 0.00 H new ATOM 1454 N GLN B 45 9.595 12.869 -1.399 1.00 0.00 N ATOM 1455 CA GLN B 45 10.171 14.192 -1.611 1.00 0.00 C ATOM 1456 C GLN B 45 11.612 14.085 -2.101 1.00 0.00 C ATOM 1457 O GLN B 45 12.418 13.348 -1.534 1.00 0.00 O ATOM 1458 CB GLN B 45 10.120 15.005 -0.316 1.00 0.00 C ATOM 1459 CG GLN B 45 8.764 15.636 -0.047 1.00 0.00 C ATOM 1460 CD GLN B 45 7.720 14.617 0.365 1.00 0.00 C ATOM 1461 OE1 GLN B 45 8.048 13.534 0.846 1.00 0.00 O ATOM 1462 NE2 GLN B 45 6.452 14.962 0.178 1.00 0.00 N ATOM 0 H GLN B 45 9.682 12.520 -0.445 1.00 0.00 H new ATOM 0 HA GLN B 45 9.583 14.700 -2.375 1.00 0.00 H new ATOM 0 HB2 GLN B 45 10.382 14.357 0.520 1.00 0.00 H new ATOM 0 HB3 GLN B 45 10.875 15.790 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN B 45 8.865 16.385 0.738 1.00 0.00 H new ATOM 0 HG3 GLN B 45 8.425 16.157 -0.943 1.00 0.00 H new ATOM 0 HE21 GLN B 45 6.225 15.871 -0.224 1.00 0.00 H new ATOM 0 HE22 GLN B 45 5.705 14.318 0.437 1.00 0.00 H new ATOM 1471 N LYS B 46 11.928 14.826 -3.158 1.00 0.00 N ATOM 1472 CA LYS B 46 13.272 14.816 -3.725 1.00 0.00 C ATOM 1473 C LYS B 46 14.135 15.907 -3.098 1.00 0.00 C ATOM 1474 O LYS B 46 13.792 17.097 -3.257 1.00 0.00 O ATOM 1475 CB LYS B 46 13.209 15.008 -5.241 1.00 0.00 C ATOM 1476 CG LYS B 46 12.293 14.017 -5.941 1.00 0.00 C ATOM 1477 CD LYS B 46 12.852 13.595 -7.289 1.00 0.00 C ATOM 1478 CE LYS B 46 12.028 12.477 -7.910 1.00 0.00 C ATOM 1479 NZ LYS B 46 12.639 11.971 -9.170 1.00 0.00 N ATOM 1480 OXT LYS B 46 15.148 15.561 -2.452 1.00 0.00 O ATOM 0 H LYS B 46 11.272 15.441 -3.639 1.00 0.00 H new ATOM 0 HA LYS B 46 13.725 13.849 -3.506 1.00 0.00 H new ATOM 0 HB2 LYS B 46 12.868 16.021 -5.457 1.00 0.00 H new ATOM 0 HB3 LYS B 46 14.214 14.915 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS B 46 12.158 13.138 -5.311 1.00 0.00 H new ATOM 0 HG3 LYS B 46 11.309 14.465 -6.079 1.00 0.00 H new ATOM 0 HD2 LYS B 46 12.869 14.453 -7.962 1.00 0.00 H new ATOM 0 HD3 LYS B 46 13.884 13.264 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS B 46 11.933 11.657 -7.198 1.00 0.00 H new ATOM 0 HE3 LYS B 46 11.021 12.839 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 12.048 11.210 -9.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 12.706 12.747 -9.859 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 13.590 11.602 -8.970 1.00 0.00 H new TER 1494 LYS B 46 HETATM 1495 ZN ZN A 147 -17.636 5.255 -9.089 1.00 0.00 ZN HETATM 1496 ZN ZN B 147 12.164 5.200 1.160 1.00 0.00 ZN