USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 581 hydrogens (13 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 25 MLE H : A 25 MLE N : A 24 GLU C :(H bumps) USER MOD Set 1.1: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 30 SER OG : rot -116:sc= 0.398 USER MOD Set 2.2: A 37 THR OG1 : rot 180:sc= 0.371 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.073 USER MOD Single : A 13 TYR OH : rot 180:sc=-0.000702 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -11.4! C(o=-11!,f=-21!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.8!) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 GLN : amide:sc= -0.393 X(o=-0.39,f=0.038) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.097 X(o=-0.097,f=-0.12) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 -13.637 13.292 -8.364 1.00 9.58 N ATOM 2 CA GLU A 4 -13.023 12.695 -7.139 1.00 9.09 C ATOM 3 C GLU A 4 -11.823 13.547 -6.694 1.00 8.06 C ATOM 4 O GLU A 4 -10.984 13.918 -7.496 1.00 8.10 O ATOM 5 CB GLU A 4 -12.559 11.258 -7.429 1.00 9.77 C ATOM 6 CG GLU A 4 -11.659 11.226 -8.672 1.00 10.24 C ATOM 7 CD GLU A 4 -11.380 9.774 -9.068 1.00 11.04 C ATOM 8 OE1 GLU A 4 -10.447 9.202 -8.527 1.00 11.49 O ATOM 9 OE2 GLU A 4 -12.102 9.259 -9.905 1.00 11.36 O ATOM 0 HA GLU A 4 -13.767 12.674 -6.343 1.00 9.09 H new ATOM 0 HB2 GLU A 4 -12.017 10.864 -6.570 1.00 9.77 H new ATOM 0 HB3 GLU A 4 -13.425 10.614 -7.582 1.00 9.77 H new ATOM 0 HG2 GLU A 4 -12.141 11.752 -9.496 1.00 10.24 H new ATOM 0 HG3 GLU A 4 -10.722 11.744 -8.468 1.00 10.24 H new ATOM 16 N LEU A 5 -11.735 13.860 -5.421 1.00 7.36 N ATOM 17 CA LEU A 5 -10.592 14.688 -4.923 1.00 6.53 C ATOM 18 C LEU A 5 -10.256 14.299 -3.478 1.00 6.17 C ATOM 19 O LEU A 5 -10.033 15.143 -2.627 1.00 6.61 O ATOM 20 CB LEU A 5 -10.928 16.197 -5.003 1.00 6.34 C ATOM 21 CG LEU A 5 -12.376 16.513 -4.554 1.00 7.26 C ATOM 22 CD1 LEU A 5 -13.375 16.050 -5.618 1.00 7.60 C ATOM 23 CD2 LEU A 5 -12.701 15.831 -3.216 1.00 7.86 C ATOM 0 H LEU A 5 -12.406 13.577 -4.707 1.00 7.36 H new ATOM 0 HA LEU A 5 -9.726 14.497 -5.557 1.00 6.53 H new ATOM 0 HB2 LEU A 5 -10.229 16.754 -4.379 1.00 6.34 H new ATOM 0 HB3 LEU A 5 -10.786 16.543 -6.027 1.00 6.34 H new ATOM 0 HG LEU A 5 -12.457 17.592 -4.424 1.00 7.26 H new ATOM 0 HD11 LEU A 5 -14.389 16.278 -5.289 1.00 7.60 H new ATOM 0 HD12 LEU A 5 -13.173 16.567 -6.556 1.00 7.60 H new ATOM 0 HD13 LEU A 5 -13.276 14.975 -5.767 1.00 7.60 H new ATOM 0 HD21 LEU A 5 -13.724 16.070 -2.925 1.00 7.86 H new ATOM 0 HD22 LEU A 5 -12.597 14.751 -3.323 1.00 7.86 H new ATOM 0 HD23 LEU A 5 -12.013 16.187 -2.449 1.00 7.86 H new ATOM 35 N ARG A 6 -10.210 13.025 -3.200 1.00 5.61 N ATOM 36 CA ARG A 6 -9.886 12.567 -1.820 1.00 5.48 C ATOM 37 C ARG A 6 -9.142 11.230 -1.885 1.00 4.69 C ATOM 38 O ARG A 6 -8.655 10.827 -2.926 1.00 4.64 O ATOM 39 CB ARG A 6 -11.188 12.400 -1.024 1.00 6.06 C ATOM 40 CG ARG A 6 -11.137 13.266 0.236 1.00 6.84 C ATOM 41 CD ARG A 6 -12.523 13.300 0.887 1.00 7.76 C ATOM 42 NE ARG A 6 -12.382 13.509 2.357 1.00 8.57 N ATOM 43 CZ ARG A 6 -13.214 12.931 3.183 1.00 9.27 C ATOM 44 NH1 ARG A 6 -14.396 13.453 3.392 1.00 9.77 N ATOM 45 NH2 ARG A 6 -12.866 11.831 3.800 1.00 9.70 N ATOM 0 H ARG A 6 -10.384 12.278 -3.873 1.00 5.61 H new ATOM 0 HA ARG A 6 -9.252 13.304 -1.328 1.00 5.48 H new ATOM 0 HB2 ARG A 6 -12.041 12.686 -1.639 1.00 6.06 H new ATOM 0 HB3 ARG A 6 -11.328 11.354 -0.752 1.00 6.06 H new ATOM 0 HG2 ARG A 6 -10.404 12.866 0.936 1.00 6.84 H new ATOM 0 HG3 ARG A 6 -10.817 14.277 -0.017 1.00 6.84 H new ATOM 0 HD2 ARG A 6 -13.121 14.101 0.452 1.00 7.76 H new ATOM 0 HD3 ARG A 6 -13.050 12.366 0.691 1.00 7.76 H new ATOM 0 HE ARG A 6 -11.636 14.103 2.718 1.00 8.57 H new ATOM 0 HH11 ARG A 6 -14.667 14.310 2.910 1.00 9.77 H new ATOM 0 HH12 ARG A 6 -15.046 13.003 4.036 1.00 9.77 H new ATOM 0 HH21 ARG A 6 -11.945 11.424 3.637 1.00 9.70 H new ATOM 0 HH22 ARG A 6 -13.516 11.380 4.444 1.00 9.70 H new ATOM 59 N CYS A 7 -9.059 10.539 -0.778 1.00 4.47 N ATOM 60 CA CYS A 7 -8.357 9.225 -0.758 1.00 4.05 C ATOM 61 C CYS A 7 -9.381 8.103 -0.935 1.00 4.38 C ATOM 62 O CYS A 7 -10.317 7.978 -0.165 1.00 4.93 O ATOM 63 CB CYS A 7 -7.632 9.049 0.578 1.00 4.32 C ATOM 64 SG CYS A 7 -5.972 9.766 0.460 1.00 4.79 S ATOM 0 H CYS A 7 -9.450 10.832 0.117 1.00 4.47 H new ATOM 0 HA CYS A 7 -7.630 9.189 -1.569 1.00 4.05 H new ATOM 0 HB2 CYS A 7 -8.194 9.534 1.376 1.00 4.32 H new ATOM 0 HB3 CYS A 7 -7.566 7.991 0.832 1.00 4.32 H new ATOM 69 N GLN A 8 -9.205 7.283 -1.943 1.00 4.51 N ATOM 70 CA GLN A 8 -10.157 6.153 -2.182 1.00 5.30 C ATOM 71 C GLN A 8 -10.103 5.153 -1.011 1.00 5.47 C ATOM 72 O GLN A 8 -10.993 4.339 -0.849 1.00 6.21 O ATOM 73 CB GLN A 8 -9.780 5.431 -3.482 1.00 5.63 C ATOM 74 CG GLN A 8 -11.010 5.325 -4.390 1.00 6.22 C ATOM 75 CD GLN A 8 -11.896 4.164 -3.925 1.00 7.21 C ATOM 76 OE1 GLN A 8 -11.572 3.013 -4.143 1.00 7.78 O ATOM 77 NE2 GLN A 8 -13.006 4.418 -3.286 1.00 7.68 N ATOM 0 H GLN A 8 -8.439 7.348 -2.614 1.00 4.51 H new ATOM 0 HA GLN A 8 -11.167 6.555 -2.262 1.00 5.30 H new ATOM 0 HB2 GLN A 8 -8.985 5.974 -3.993 1.00 5.63 H new ATOM 0 HB3 GLN A 8 -9.395 4.436 -3.258 1.00 5.63 H new ATOM 0 HG2 GLN A 8 -11.574 6.258 -4.366 1.00 6.22 H new ATOM 0 HG3 GLN A 8 -10.699 5.167 -5.423 1.00 6.22 H new ATOM 0 HE21 GLN A 8 -13.279 5.383 -3.102 1.00 7.68 H new ATOM 0 HE22 GLN A 8 -13.600 3.651 -2.971 1.00 7.68 H new ATOM 86 N CYS A 9 -9.072 5.211 -0.194 1.00 5.04 N ATOM 87 CA CYS A 9 -8.969 4.270 0.959 1.00 5.45 C ATOM 88 C CYS A 9 -8.760 5.057 2.254 1.00 5.99 C ATOM 89 O CYS A 9 -7.683 5.560 2.519 1.00 6.13 O ATOM 90 CB CYS A 9 -7.786 3.317 0.750 1.00 5.08 C ATOM 91 SG CYS A 9 -8.393 1.708 0.183 1.00 5.12 S ATOM 0 H CYS A 9 -8.300 5.872 -0.281 1.00 5.04 H new ATOM 0 HA CYS A 9 -9.892 3.694 1.028 1.00 5.45 H new ATOM 0 HB2 CYS A 9 -7.095 3.735 0.018 1.00 5.08 H new ATOM 0 HB3 CYS A 9 -7.232 3.200 1.681 1.00 5.08 H new ATOM 96 N ILE A 10 -9.780 5.143 3.077 1.00 6.61 N ATOM 97 CA ILE A 10 -9.639 5.867 4.378 1.00 7.44 C ATOM 98 C ILE A 10 -8.696 5.048 5.276 1.00 7.48 C ATOM 99 O ILE A 10 -7.931 5.592 6.051 1.00 8.16 O ATOM 100 CB ILE A 10 -11.016 6.008 5.055 1.00 8.38 C ATOM 101 CG1 ILE A 10 -11.954 6.860 4.178 1.00 8.63 C ATOM 102 CG2 ILE A 10 -10.856 6.676 6.424 1.00 9.31 C ATOM 103 CD1 ILE A 10 -11.293 8.202 3.838 1.00 9.47 C ATOM 0 H ILE A 10 -10.702 4.743 2.902 1.00 6.61 H new ATOM 0 HA ILE A 10 -9.234 6.865 4.213 1.00 7.44 H new ATOM 0 HB ILE A 10 -11.447 5.015 5.182 1.00 8.38 H new ATOM 0 HG12 ILE A 10 -12.193 6.322 3.261 1.00 8.63 H new ATOM 0 HG13 ILE A 10 -12.895 7.032 4.701 1.00 8.63 H new ATOM 0 HG21 ILE A 10 -11.833 6.773 6.898 1.00 9.31 H new ATOM 0 HG22 ILE A 10 -10.207 6.067 7.053 1.00 9.31 H new ATOM 0 HG23 ILE A 10 -10.414 7.664 6.297 1.00 9.31 H new ATOM 0 HD11 ILE A 10 -11.967 8.793 3.218 1.00 9.47 H new ATOM 0 HD12 ILE A 10 -11.077 8.745 4.758 1.00 9.47 H new ATOM 0 HD13 ILE A 10 -10.365 8.023 3.296 1.00 9.47 H new ATOM 115 N LYS A 11 -8.739 3.741 5.147 1.00 6.93 N ATOM 116 CA LYS A 11 -7.848 2.854 5.950 1.00 7.15 C ATOM 117 C LYS A 11 -6.978 2.050 4.977 1.00 6.42 C ATOM 118 O LYS A 11 -7.485 1.319 4.144 1.00 6.35 O ATOM 119 CB LYS A 11 -8.705 1.902 6.792 1.00 8.05 C ATOM 120 CG LYS A 11 -7.941 1.499 8.055 1.00 8.65 C ATOM 121 CD LYS A 11 -8.663 0.338 8.741 1.00 9.04 C ATOM 122 CE LYS A 11 -9.828 0.876 9.579 1.00 9.50 C ATOM 123 NZ LYS A 11 -10.634 -0.261 10.106 1.00 9.69 N ATOM 0 H LYS A 11 -9.364 3.249 4.509 1.00 6.93 H new ATOM 0 HA LYS A 11 -7.218 3.443 6.617 1.00 7.15 H new ATOM 0 HB2 LYS A 11 -9.644 2.385 7.062 1.00 8.05 H new ATOM 0 HB3 LYS A 11 -8.959 1.016 6.211 1.00 8.05 H new ATOM 0 HG2 LYS A 11 -6.923 1.207 7.799 1.00 8.65 H new ATOM 0 HG3 LYS A 11 -7.868 2.348 8.735 1.00 8.65 H new ATOM 0 HD2 LYS A 11 -9.034 -0.364 7.994 1.00 9.04 H new ATOM 0 HD3 LYS A 11 -7.968 -0.210 9.377 1.00 9.04 H new ATOM 0 HE2 LYS A 11 -9.448 1.478 10.404 1.00 9.50 H new ATOM 0 HE3 LYS A 11 -10.455 1.528 8.971 1.00 9.50 H new ATOM 0 HZ1 LYS A 11 -11.424 0.107 10.674 1.00 9.69 H new ATOM 0 HZ2 LYS A 11 -11.009 -0.818 9.312 1.00 9.69 H new ATOM 0 HZ3 LYS A 11 -10.033 -0.867 10.700 1.00 9.69 H new ATOM 137 N THR A 12 -5.677 2.192 5.057 1.00 6.02 N ATOM 138 CA THR A 12 -4.783 1.447 4.115 1.00 5.35 C ATOM 139 C THR A 12 -4.402 0.077 4.681 1.00 5.31 C ATOM 140 O THR A 12 -4.877 -0.341 5.721 1.00 5.80 O ATOM 141 CB THR A 12 -3.506 2.249 3.832 1.00 5.23 C ATOM 142 OG1 THR A 12 -3.309 3.240 4.836 1.00 5.90 O ATOM 143 CG2 THR A 12 -3.623 2.905 2.461 1.00 5.32 C ATOM 0 H THR A 12 -5.197 2.789 5.731 1.00 6.02 H new ATOM 0 HA THR A 12 -5.335 1.304 3.186 1.00 5.35 H new ATOM 0 HB THR A 12 -2.648 1.577 3.843 1.00 5.23 H new ATOM 0 HG1 THR A 12 -2.490 3.743 4.643 1.00 5.90 H new ATOM 0 HG21 THR A 12 -2.719 3.477 2.253 1.00 5.32 H new ATOM 0 HG22 THR A 12 -3.749 2.136 1.699 1.00 5.32 H new ATOM 0 HG23 THR A 12 -4.485 3.572 2.449 1.00 5.32 H new ATOM 151 N TYR A 13 -3.552 -0.623 3.973 1.00 4.96 N ATOM 152 CA TYR A 13 -3.122 -1.976 4.409 1.00 5.03 C ATOM 153 C TYR A 13 -1.831 -1.880 5.229 1.00 5.08 C ATOM 154 O TYR A 13 -0.840 -1.329 4.784 1.00 4.67 O ATOM 155 CB TYR A 13 -2.878 -2.832 3.162 1.00 4.85 C ATOM 156 CG TYR A 13 -2.925 -4.297 3.504 1.00 5.22 C ATOM 157 CD1 TYR A 13 -3.761 -4.758 4.525 1.00 5.75 C ATOM 158 CD2 TYR A 13 -2.123 -5.187 2.791 1.00 5.34 C ATOM 159 CE1 TYR A 13 -3.792 -6.123 4.835 1.00 6.30 C ATOM 160 CE2 TYR A 13 -2.151 -6.553 3.098 1.00 5.79 C ATOM 161 CZ TYR A 13 -2.986 -7.021 4.122 1.00 6.23 C ATOM 162 OH TYR A 13 -3.015 -8.368 4.427 1.00 6.84 O ATOM 0 H TYR A 13 -3.134 -0.305 3.099 1.00 4.96 H new ATOM 0 HA TYR A 13 -3.896 -2.427 5.031 1.00 5.03 H new ATOM 0 HB2 TYR A 13 -3.631 -2.606 2.407 1.00 4.85 H new ATOM 0 HB3 TYR A 13 -1.908 -2.585 2.730 1.00 4.85 H new ATOM 0 HD1 TYR A 13 -4.381 -4.064 5.073 1.00 5.75 H new ATOM 0 HD2 TYR A 13 -1.481 -4.823 2.003 1.00 5.34 H new ATOM 0 HE1 TYR A 13 -4.437 -6.484 5.623 1.00 6.30 H new ATOM 0 HE2 TYR A 13 -1.531 -7.244 2.547 1.00 5.79 H new ATOM 0 HH TYR A 13 -2.398 -8.850 3.838 1.00 6.84 H new ATOM 172 N SER A 14 -1.840 -2.427 6.421 1.00 5.82 N ATOM 173 CA SER A 14 -0.621 -2.390 7.283 1.00 6.06 C ATOM 174 C SER A 14 0.068 -3.758 7.253 1.00 6.51 C ATOM 175 O SER A 14 1.281 -3.842 7.308 1.00 6.88 O ATOM 176 CB SER A 14 -1.015 -2.044 8.719 1.00 6.42 C ATOM 177 OG SER A 14 0.054 -1.345 9.342 1.00 6.80 O ATOM 0 H SER A 14 -2.644 -2.899 6.834 1.00 5.82 H new ATOM 0 HA SER A 14 0.065 -1.631 6.907 1.00 6.06 H new ATOM 0 HB2 SER A 14 -1.917 -1.432 8.724 1.00 6.42 H new ATOM 0 HB3 SER A 14 -1.244 -2.953 9.275 1.00 6.42 H new ATOM 0 HG SER A 14 -0.195 -1.120 10.263 1.00 6.80 H new ATOM 183 N LYS A 15 -0.690 -4.828 7.154 1.00 6.59 N ATOM 184 CA LYS A 15 -0.064 -6.183 7.107 1.00 7.06 C ATOM 185 C LYS A 15 0.604 -6.361 5.739 1.00 6.32 C ATOM 186 O LYS A 15 0.068 -5.939 4.736 1.00 6.13 O ATOM 187 CB LYS A 15 -1.105 -7.292 7.297 1.00 7.75 C ATOM 188 CG LYS A 15 -2.299 -6.797 8.126 1.00 8.64 C ATOM 189 CD LYS A 15 -2.935 -7.978 8.867 1.00 9.43 C ATOM 190 CE LYS A 15 -4.460 -7.904 8.744 1.00 10.20 C ATOM 191 NZ LYS A 15 -5.024 -7.191 9.927 1.00 10.59 N ATOM 0 H LYS A 15 -1.709 -4.818 7.104 1.00 6.59 H new ATOM 0 HA LYS A 15 0.663 -6.257 7.916 1.00 7.06 H new ATOM 0 HB2 LYS A 15 -1.453 -7.638 6.324 1.00 7.75 H new ATOM 0 HB3 LYS A 15 -0.644 -8.146 7.793 1.00 7.75 H new ATOM 0 HG2 LYS A 15 -1.971 -6.041 8.839 1.00 8.64 H new ATOM 0 HG3 LYS A 15 -3.035 -6.324 7.476 1.00 8.64 H new ATOM 0 HD2 LYS A 15 -2.572 -8.918 8.452 1.00 9.43 H new ATOM 0 HD3 LYS A 15 -2.644 -7.960 9.917 1.00 9.43 H new ATOM 0 HE2 LYS A 15 -4.736 -7.383 7.827 1.00 10.20 H new ATOM 0 HE3 LYS A 15 -4.879 -8.908 8.678 1.00 10.20 H new ATOM 0 HZ1 LYS A 15 -6.059 -7.142 9.842 1.00 10.59 H new ATOM 0 HZ2 LYS A 15 -4.772 -7.706 10.795 1.00 10.59 H new ATOM 0 HZ3 LYS A 15 -4.634 -6.228 9.970 1.00 10.59 H new ATOM 205 N PRO A 16 1.763 -6.963 5.747 1.00 6.02 N ATOM 206 CA PRO A 16 2.557 -7.190 4.528 1.00 5.35 C ATOM 207 C PRO A 16 2.095 -8.449 3.783 1.00 5.50 C ATOM 208 O PRO A 16 1.458 -9.321 4.347 1.00 6.37 O ATOM 209 CB PRO A 16 3.975 -7.363 5.068 1.00 5.39 C ATOM 210 CG PRO A 16 3.836 -7.808 6.546 1.00 6.26 C ATOM 211 CD PRO A 16 2.395 -7.472 6.976 1.00 6.51 C ATOM 0 HA PRO A 16 2.465 -6.380 3.805 1.00 5.35 H new ATOM 0 HB2 PRO A 16 4.522 -8.108 4.489 1.00 5.39 H new ATOM 0 HB3 PRO A 16 4.534 -6.430 4.995 1.00 5.39 H new ATOM 0 HG2 PRO A 16 4.032 -8.875 6.649 1.00 6.26 H new ATOM 0 HG3 PRO A 16 4.559 -7.289 7.176 1.00 6.26 H new ATOM 0 HD2 PRO A 16 1.877 -8.353 7.356 1.00 6.51 H new ATOM 0 HD3 PRO A 16 2.380 -6.726 7.771 1.00 6.51 H new ATOM 219 N PHE A 17 2.428 -8.545 2.518 1.00 4.76 N ATOM 220 CA PHE A 17 2.030 -9.745 1.713 1.00 4.96 C ATOM 221 C PHE A 17 2.912 -9.845 0.453 1.00 4.78 C ATOM 222 O PHE A 17 3.501 -8.871 0.018 1.00 4.77 O ATOM 223 CB PHE A 17 0.535 -9.663 1.338 1.00 4.69 C ATOM 224 CG PHE A 17 0.283 -8.608 0.278 1.00 3.72 C ATOM 225 CD1 PHE A 17 0.362 -7.245 0.600 1.00 3.74 C ATOM 226 CD2 PHE A 17 -0.042 -8.999 -1.027 1.00 3.29 C ATOM 227 CE1 PHE A 17 0.118 -6.280 -0.385 1.00 3.14 C ATOM 228 CE2 PHE A 17 -0.287 -8.033 -2.008 1.00 2.59 C ATOM 229 CZ PHE A 17 -0.206 -6.673 -1.688 1.00 2.38 C ATOM 0 H PHE A 17 2.960 -7.842 2.006 1.00 4.76 H new ATOM 0 HA PHE A 17 2.179 -10.645 2.310 1.00 4.96 H new ATOM 0 HB2 PHE A 17 0.197 -10.633 0.974 1.00 4.69 H new ATOM 0 HB3 PHE A 17 -0.052 -9.434 2.227 1.00 4.69 H new ATOM 0 HD1 PHE A 17 0.611 -6.940 1.606 1.00 3.74 H new ATOM 0 HD2 PHE A 17 -0.103 -10.048 -1.276 1.00 3.29 H new ATOM 0 HE1 PHE A 17 0.180 -5.230 -0.138 1.00 3.14 H new ATOM 0 HE2 PHE A 17 -0.539 -8.337 -3.013 1.00 2.59 H new ATOM 0 HZ PHE A 17 -0.393 -5.927 -2.446 1.00 2.38 H new ATOM 239 N HIS A 18 3.014 -11.025 -0.121 1.00 4.92 N ATOM 240 CA HIS A 18 3.866 -11.221 -1.338 1.00 5.06 C ATOM 241 C HIS A 18 3.258 -10.452 -2.542 1.00 4.32 C ATOM 242 O HIS A 18 2.053 -10.405 -2.700 1.00 4.10 O ATOM 243 CB HIS A 18 3.984 -12.725 -1.591 1.00 5.95 C ATOM 244 CG HIS A 18 4.533 -12.970 -2.948 1.00 6.25 C ATOM 245 ND1 HIS A 18 5.887 -13.115 -3.209 1.00 6.36 N ATOM 246 CD2 HIS A 18 3.906 -13.080 -4.136 1.00 6.72 C ATOM 247 CE1 HIS A 18 6.011 -13.303 -4.534 1.00 6.81 C ATOM 248 NE2 HIS A 18 4.832 -13.296 -5.137 1.00 7.07 N ATOM 0 H HIS A 18 2.538 -11.866 0.206 1.00 4.92 H new ATOM 0 HA HIS A 18 4.867 -10.816 -1.192 1.00 5.06 H new ATOM 0 HB2 HIS A 18 4.631 -13.179 -0.841 1.00 5.95 H new ATOM 0 HB3 HIS A 18 3.006 -13.196 -1.495 1.00 5.95 H new ATOM 0 HD1 HIS A 18 6.644 -13.085 -2.526 1.00 6.36 H new ATOM 0 HD2 HIS A 18 2.838 -13.010 -4.283 1.00 6.72 H new ATOM 0 HE1 HIS A 18 6.953 -13.442 -5.043 1.00 6.81 H new ATOM 256 N PRO A 19 4.130 -9.809 -3.311 1.00 4.16 N ATOM 257 CA PRO A 19 3.739 -8.947 -4.462 1.00 3.77 C ATOM 258 C PRO A 19 3.321 -9.696 -5.739 1.00 4.27 C ATOM 259 O PRO A 19 2.397 -9.273 -6.404 1.00 4.32 O ATOM 260 CB PRO A 19 5.002 -8.131 -4.738 1.00 3.96 C ATOM 261 CG PRO A 19 6.183 -8.939 -4.163 1.00 4.62 C ATOM 262 CD PRO A 19 5.594 -9.885 -3.103 1.00 4.65 C ATOM 0 HA PRO A 19 2.852 -8.369 -4.203 1.00 3.77 H new ATOM 0 HB2 PRO A 19 5.130 -7.965 -5.808 1.00 3.96 H new ATOM 0 HB3 PRO A 19 4.939 -7.149 -4.269 1.00 3.96 H new ATOM 0 HG2 PRO A 19 6.686 -9.503 -4.949 1.00 4.62 H new ATOM 0 HG3 PRO A 19 6.927 -8.276 -3.720 1.00 4.62 H new ATOM 0 HD2 PRO A 19 5.961 -10.903 -3.232 1.00 4.65 H new ATOM 0 HD3 PRO A 19 5.869 -9.572 -2.096 1.00 4.65 H new ATOM 270 N LYS A 20 4.005 -10.750 -6.129 1.00 4.91 N ATOM 271 CA LYS A 20 3.628 -11.449 -7.413 1.00 5.52 C ATOM 272 C LYS A 20 2.120 -11.767 -7.453 1.00 5.00 C ATOM 273 O LYS A 20 1.537 -11.833 -8.520 1.00 5.39 O ATOM 274 CB LYS A 20 4.439 -12.727 -7.613 1.00 6.44 C ATOM 275 CG LYS A 20 4.483 -13.079 -9.104 1.00 7.16 C ATOM 276 CD LYS A 20 5.127 -14.456 -9.291 1.00 7.91 C ATOM 277 CE LYS A 20 4.713 -15.039 -10.646 1.00 8.41 C ATOM 278 NZ LYS A 20 5.893 -15.673 -11.302 1.00 8.95 N ATOM 0 H LYS A 20 4.795 -11.154 -5.626 1.00 4.91 H new ATOM 0 HA LYS A 20 3.860 -10.766 -8.230 1.00 5.52 H new ATOM 0 HB2 LYS A 20 5.451 -12.591 -7.231 1.00 6.44 H new ATOM 0 HB3 LYS A 20 3.992 -13.546 -7.049 1.00 6.44 H new ATOM 0 HG2 LYS A 20 3.474 -13.080 -9.517 1.00 7.16 H new ATOM 0 HG3 LYS A 20 5.050 -12.325 -9.649 1.00 7.16 H new ATOM 0 HD2 LYS A 20 6.212 -14.371 -9.237 1.00 7.91 H new ATOM 0 HD3 LYS A 20 4.819 -15.125 -8.487 1.00 7.91 H new ATOM 0 HE2 LYS A 20 3.921 -15.776 -10.509 1.00 8.41 H new ATOM 0 HE3 LYS A 20 4.310 -14.252 -11.283 1.00 8.41 H new ATOM 0 HZ1 LYS A 20 5.609 -16.068 -12.221 1.00 8.95 H new ATOM 0 HZ2 LYS A 20 6.635 -14.959 -11.446 1.00 8.95 H new ATOM 0 HZ3 LYS A 20 6.259 -16.435 -10.696 1.00 8.95 H new ATOM 292 N PHE A 21 1.476 -11.928 -6.313 1.00 4.37 N ATOM 293 CA PHE A 21 0.004 -12.194 -6.312 1.00 4.15 C ATOM 294 C PHE A 21 -0.709 -11.004 -6.966 1.00 3.56 C ATOM 295 O PHE A 21 -1.664 -11.162 -7.700 1.00 3.88 O ATOM 296 CB PHE A 21 -0.512 -12.329 -4.881 1.00 4.02 C ATOM 297 CG PHE A 21 0.255 -13.372 -4.093 1.00 4.64 C ATOM 298 CD1 PHE A 21 0.843 -14.474 -4.732 1.00 5.12 C ATOM 299 CD2 PHE A 21 0.366 -13.232 -2.704 1.00 5.11 C ATOM 300 CE1 PHE A 21 1.538 -15.428 -3.980 1.00 5.85 C ATOM 301 CE2 PHE A 21 1.060 -14.186 -1.954 1.00 5.85 C ATOM 302 CZ PHE A 21 1.647 -15.284 -2.591 1.00 6.13 C ATOM 0 H PHE A 21 1.909 -11.886 -5.390 1.00 4.37 H new ATOM 0 HA PHE A 21 -0.190 -13.118 -6.857 1.00 4.15 H new ATOM 0 HB2 PHE A 21 -0.436 -11.366 -4.376 1.00 4.02 H new ATOM 0 HB3 PHE A 21 -1.569 -12.595 -4.901 1.00 4.02 H new ATOM 0 HD1 PHE A 21 0.759 -14.586 -5.803 1.00 5.12 H new ATOM 0 HD2 PHE A 21 -0.086 -12.384 -2.211 1.00 5.11 H new ATOM 0 HE1 PHE A 21 1.991 -16.276 -4.471 1.00 5.85 H new ATOM 0 HE2 PHE A 21 1.143 -14.075 -0.883 1.00 5.85 H new ATOM 0 HZ PHE A 21 2.184 -16.021 -2.012 1.00 6.13 H new ATOM 312 N ILE A 22 -0.229 -9.813 -6.688 1.00 2.94 N ATOM 313 CA ILE A 22 -0.831 -8.572 -7.261 1.00 2.62 C ATOM 314 C ILE A 22 -0.793 -8.627 -8.790 1.00 3.41 C ATOM 315 O ILE A 22 0.264 -8.654 -9.395 1.00 4.13 O ATOM 316 CB ILE A 22 -0.024 -7.355 -6.780 1.00 2.18 C ATOM 317 CG1 ILE A 22 -0.084 -7.264 -5.250 1.00 2.00 C ATOM 318 CG2 ILE A 22 -0.603 -6.076 -7.385 1.00 2.53 C ATOM 319 CD1 ILE A 22 1.153 -6.524 -4.734 1.00 2.47 C ATOM 0 H ILE A 22 0.570 -9.650 -6.076 1.00 2.94 H new ATOM 0 HA ILE A 22 -1.867 -8.490 -6.932 1.00 2.62 H new ATOM 0 HB ILE A 22 1.012 -7.470 -7.098 1.00 2.18 H new ATOM 0 HG12 ILE A 22 -0.989 -6.741 -4.941 1.00 2.00 H new ATOM 0 HG13 ILE A 22 -0.130 -8.263 -4.817 1.00 2.00 H new ATOM 0 HG21 ILE A 22 -0.027 -5.217 -7.040 1.00 2.53 H new ATOM 0 HG22 ILE A 22 -0.554 -6.133 -8.472 1.00 2.53 H new ATOM 0 HG23 ILE A 22 -1.642 -5.964 -7.074 1.00 2.53 H new ATOM 0 HD11 ILE A 22 1.111 -6.459 -3.647 1.00 2.47 H new ATOM 0 HD12 ILE A 22 2.051 -7.066 -5.031 1.00 2.47 H new ATOM 0 HD13 ILE A 22 1.179 -5.520 -5.157 1.00 2.47 H new ATOM 331 N LYS A 23 -1.942 -8.622 -9.415 1.00 3.62 N ATOM 332 CA LYS A 23 -1.993 -8.644 -10.907 1.00 4.61 C ATOM 333 C LYS A 23 -1.910 -7.202 -11.430 1.00 5.00 C ATOM 334 O LYS A 23 -1.477 -6.965 -12.542 1.00 5.88 O ATOM 335 CB LYS A 23 -3.307 -9.288 -11.370 1.00 5.10 C ATOM 336 CG LYS A 23 -3.083 -10.019 -12.697 1.00 5.85 C ATOM 337 CD LYS A 23 -2.335 -11.331 -12.444 1.00 6.35 C ATOM 338 CE LYS A 23 -2.431 -12.226 -13.683 1.00 6.93 C ATOM 339 NZ LYS A 23 -2.200 -13.648 -13.294 1.00 7.72 N ATOM 0 H LYS A 23 -2.851 -8.604 -8.953 1.00 3.62 H new ATOM 0 HA LYS A 23 -1.157 -9.225 -11.296 1.00 4.61 H new ATOM 0 HB2 LYS A 23 -3.667 -9.987 -10.615 1.00 5.10 H new ATOM 0 HB3 LYS A 23 -4.075 -8.524 -11.489 1.00 5.10 H new ATOM 0 HG2 LYS A 23 -4.040 -10.222 -13.178 1.00 5.85 H new ATOM 0 HG3 LYS A 23 -2.511 -9.389 -13.378 1.00 5.85 H new ATOM 0 HD2 LYS A 23 -1.290 -11.126 -12.211 1.00 6.35 H new ATOM 0 HD3 LYS A 23 -2.760 -11.842 -11.580 1.00 6.35 H new ATOM 0 HE2 LYS A 23 -3.412 -12.120 -14.145 1.00 6.93 H new ATOM 0 HE3 LYS A 23 -1.694 -11.917 -14.425 1.00 6.93 H new ATOM 0 HZ1 LYS A 23 -2.266 -14.254 -14.137 1.00 7.72 H new ATOM 0 HZ2 LYS A 23 -1.254 -13.743 -12.872 1.00 7.72 H new ATOM 0 HZ3 LYS A 23 -2.919 -13.940 -12.601 1.00 7.72 H new ATOM 353 N GLU A 24 -2.320 -6.237 -10.632 1.00 4.51 N ATOM 354 CA GLU A 24 -2.268 -4.812 -11.070 1.00 5.13 C ATOM 355 C GLU A 24 -1.838 -3.926 -9.887 1.00 4.55 C ATOM 356 O GLU A 24 -2.632 -3.620 -9.016 1.00 4.65 O ATOM 357 CB GLU A 24 -3.655 -4.385 -11.557 1.00 5.78 C ATOM 358 CG GLU A 24 -3.509 -3.463 -12.768 1.00 6.35 C ATOM 359 CD GLU A 24 -4.561 -2.352 -12.698 1.00 7.36 C ATOM 360 OE1 GLU A 24 -4.319 -1.376 -12.008 1.00 7.92 O ATOM 361 OE2 GLU A 24 -5.592 -2.498 -13.335 1.00 7.77 O ATOM 0 H GLU A 24 -2.689 -6.383 -9.692 1.00 4.51 H new ATOM 0 HA GLU A 24 -1.547 -4.702 -11.880 1.00 5.13 H new ATOM 0 HB2 GLU A 24 -4.244 -5.262 -11.823 1.00 5.78 H new ATOM 0 HB3 GLU A 24 -4.190 -3.872 -10.758 1.00 5.78 H new ATOM 0 HG2 GLU A 24 -2.509 -3.030 -12.789 1.00 6.35 H new ATOM 0 HG3 GLU A 24 -3.629 -4.034 -13.689 1.00 6.35 H new HETATM 368 N MLE A 25 -0.588 -3.513 -9.847 1.00 4.25 N HETATM 369 CN MLE A 25 0.057 -3.059 -11.121 1.00 5.13 C HETATM 370 CA MLE A 25 -0.121 -2.647 -8.710 1.00 3.66 C HETATM 371 CB MLE A 25 1.256 -3.120 -8.219 1.00 3.52 C HETATM 372 CG MLE A 25 1.814 -2.109 -7.202 1.00 3.28 C HETATM 373 CD1 MLE A 25 2.417 -2.852 -6.013 1.00 2.93 C HETATM 374 CD2 MLE A 25 2.895 -1.248 -7.865 1.00 3.54 C HETATM 375 C MLE A 25 -0.018 -1.192 -9.180 1.00 4.19 C HETATM 376 O MLE A 25 0.943 -0.806 -9.824 1.00 4.87 O HETATM 0 HD23 MLE A 25 3.704 -1.888 -8.218 1.00 3.54 H new HETATM 0 HD22 MLE A 25 2.464 -0.709 -8.709 1.00 3.54 H new HETATM 0 HD21 MLE A 25 3.287 -0.534 -7.140 1.00 3.54 H new HETATM 0 HD13 MLE A 25 1.648 -3.458 -5.534 1.00 2.93 H new HETATM 0 HD12 MLE A 25 3.224 -3.498 -6.359 1.00 2.93 H new HETATM 0 HD11 MLE A 25 2.811 -2.132 -5.296 1.00 2.93 H new HETATM 0 HN3 MLE A 25 -0.217 -2.023 -11.318 1.00 5.13 H new HETATM 0 HN2 MLE A 25 1.140 -3.136 -11.028 1.00 5.13 H new HETATM 0 HN1 MLE A 25 -0.282 -3.687 -11.945 1.00 5.13 H new HETATM 0 HG MLE A 25 1.003 -1.469 -6.856 1.00 3.28 H new HETATM 0 HB3 MLE A 25 1.171 -4.105 -7.760 1.00 3.52 H new HETATM 0 HB2 MLE A 25 1.940 -3.219 -9.062 1.00 3.52 H new HETATM 0 HA MLE A 25 -0.839 -2.719 -7.893 1.00 3.66 H new ATOM 390 N ARG A 26 -0.991 -0.383 -8.874 1.00 4.14 N ATOM 391 CA ARG A 26 -0.915 1.032 -9.321 1.00 4.79 C ATOM 392 C ARG A 26 -1.009 1.967 -8.108 1.00 4.70 C ATOM 393 O ARG A 26 -1.953 1.911 -7.342 1.00 4.97 O ATOM 394 CB ARG A 26 -2.050 1.337 -10.312 1.00 5.59 C ATOM 395 CG ARG A 26 -3.386 0.823 -9.763 1.00 5.99 C ATOM 396 CD ARG A 26 -4.541 1.487 -10.513 1.00 6.35 C ATOM 397 NE ARG A 26 -5.819 0.798 -10.169 1.00 7.16 N ATOM 398 CZ ARG A 26 -6.963 1.369 -10.438 1.00 7.92 C ATOM 399 NH1 ARG A 26 -7.520 2.161 -9.558 1.00 8.52 N ATOM 400 NH2 ARG A 26 -7.549 1.147 -11.587 1.00 8.32 N ATOM 0 H ARG A 26 -1.824 -0.635 -8.342 1.00 4.14 H new ATOM 0 HA ARG A 26 0.039 1.194 -9.822 1.00 4.79 H new ATOM 0 HB2 ARG A 26 -2.110 2.411 -10.488 1.00 5.59 H new ATOM 0 HB3 ARG A 26 -1.839 0.868 -11.273 1.00 5.59 H new ATOM 0 HG2 ARG A 26 -3.443 -0.260 -9.873 1.00 5.99 H new ATOM 0 HG3 ARG A 26 -3.460 1.039 -8.697 1.00 5.99 H new ATOM 0 HD2 ARG A 26 -4.602 2.543 -10.248 1.00 6.35 H new ATOM 0 HD3 ARG A 26 -4.367 1.438 -11.588 1.00 6.35 H new ATOM 0 HE ARG A 26 -5.800 -0.119 -9.724 1.00 7.16 H new ATOM 0 HH11 ARG A 26 -7.061 2.332 -8.663 1.00 8.52 H new ATOM 0 HH12 ARG A 26 -8.413 2.607 -9.767 1.00 8.52 H new ATOM 0 HH21 ARG A 26 -7.113 0.529 -12.271 1.00 8.32 H new ATOM 0 HH22 ARG A 26 -8.442 1.592 -11.798 1.00 8.32 H new ATOM 414 N VAL A 27 -0.032 2.821 -7.927 1.00 4.69 N ATOM 415 CA VAL A 27 -0.046 3.759 -6.766 1.00 4.83 C ATOM 416 C VAL A 27 -0.532 5.146 -7.212 1.00 4.79 C ATOM 417 O VAL A 27 -0.242 5.592 -8.308 1.00 5.45 O ATOM 418 CB VAL A 27 1.371 3.870 -6.189 1.00 5.66 C ATOM 419 CG1 VAL A 27 1.763 2.542 -5.540 1.00 6.10 C ATOM 420 CG2 VAL A 27 2.376 4.200 -7.300 1.00 6.04 C ATOM 0 H VAL A 27 0.779 2.908 -8.539 1.00 4.69 H new ATOM 0 HA VAL A 27 -0.725 3.377 -6.004 1.00 4.83 H new ATOM 0 HB VAL A 27 1.384 4.668 -5.446 1.00 5.66 H new ATOM 0 HG11 VAL A 27 2.770 2.621 -5.130 1.00 6.10 H new ATOM 0 HG12 VAL A 27 1.062 2.308 -4.739 1.00 6.10 H new ATOM 0 HG13 VAL A 27 1.737 1.750 -6.288 1.00 6.10 H new ATOM 0 HG21 VAL A 27 3.377 4.275 -6.875 1.00 6.04 H new ATOM 0 HG22 VAL A 27 2.360 3.411 -8.052 1.00 6.04 H new ATOM 0 HG23 VAL A 27 2.107 5.149 -7.764 1.00 6.04 H new ATOM 430 N ILE A 28 -1.266 5.833 -6.365 1.00 4.28 N ATOM 431 CA ILE A 28 -1.765 7.195 -6.730 1.00 4.40 C ATOM 432 C ILE A 28 -0.930 8.246 -5.991 1.00 4.70 C ATOM 433 O ILE A 28 -0.727 8.156 -4.794 1.00 5.01 O ATOM 434 CB ILE A 28 -3.243 7.331 -6.336 1.00 4.45 C ATOM 435 CG1 ILE A 28 -4.072 6.289 -7.102 1.00 4.94 C ATOM 436 CG2 ILE A 28 -3.743 8.739 -6.686 1.00 4.49 C ATOM 437 CD1 ILE A 28 -5.549 6.414 -6.719 1.00 5.05 C ATOM 0 H ILE A 28 -1.539 5.507 -5.438 1.00 4.28 H new ATOM 0 HA ILE A 28 -1.673 7.344 -7.806 1.00 4.40 H new ATOM 0 HB ILE A 28 -3.349 7.167 -5.264 1.00 4.45 H new ATOM 0 HG12 ILE A 28 -3.952 6.434 -8.176 1.00 4.94 H new ATOM 0 HG13 ILE A 28 -3.712 5.286 -6.874 1.00 4.94 H new ATOM 0 HG21 ILE A 28 -4.792 8.833 -6.405 1.00 4.49 H new ATOM 0 HG22 ILE A 28 -3.155 9.479 -6.144 1.00 4.49 H new ATOM 0 HG23 ILE A 28 -3.638 8.906 -7.758 1.00 4.49 H new ATOM 0 HD11 ILE A 28 -6.131 5.672 -7.266 1.00 5.05 H new ATOM 0 HD12 ILE A 28 -5.663 6.247 -5.648 1.00 5.05 H new ATOM 0 HD13 ILE A 28 -5.907 7.413 -6.970 1.00 5.05 H new ATOM 449 N GLU A 29 -0.440 9.236 -6.700 1.00 5.08 N ATOM 450 CA GLU A 29 0.391 10.297 -6.055 1.00 5.75 C ATOM 451 C GLU A 29 -0.466 11.122 -5.088 1.00 5.30 C ATOM 452 O GLU A 29 -1.683 11.049 -5.099 1.00 4.95 O ATOM 453 CB GLU A 29 0.964 11.222 -7.134 1.00 6.63 C ATOM 454 CG GLU A 29 1.823 10.415 -8.115 1.00 7.40 C ATOM 455 CD GLU A 29 1.119 10.337 -9.473 1.00 8.35 C ATOM 456 OE1 GLU A 29 1.315 11.237 -10.275 1.00 8.53 O ATOM 457 OE2 GLU A 29 0.394 9.379 -9.689 1.00 9.09 O ATOM 0 H GLU A 29 -0.582 9.353 -7.703 1.00 5.08 H new ATOM 0 HA GLU A 29 1.203 9.824 -5.502 1.00 5.75 H new ATOM 0 HB2 GLU A 29 0.153 11.716 -7.669 1.00 6.63 H new ATOM 0 HB3 GLU A 29 1.564 12.005 -6.672 1.00 6.63 H new ATOM 0 HG2 GLU A 29 2.801 10.883 -8.228 1.00 7.40 H new ATOM 0 HG3 GLU A 29 1.993 9.412 -7.724 1.00 7.40 H new ATOM 464 N SER A 30 0.166 11.911 -4.256 1.00 5.67 N ATOM 465 CA SER A 30 -0.594 12.750 -3.282 1.00 5.68 C ATOM 466 C SER A 30 -0.651 14.199 -3.780 1.00 6.20 C ATOM 467 O SER A 30 0.142 14.619 -4.604 1.00 6.77 O ATOM 468 CB SER A 30 0.090 12.709 -1.912 1.00 6.35 C ATOM 469 OG SER A 30 1.491 12.515 -2.074 1.00 7.18 O ATOM 0 H SER A 30 1.180 12.010 -4.210 1.00 5.67 H new ATOM 0 HA SER A 30 -1.607 12.357 -3.191 1.00 5.68 H new ATOM 0 HB2 SER A 30 -0.097 13.639 -1.375 1.00 6.35 H new ATOM 0 HB3 SER A 30 -0.330 11.903 -1.310 1.00 6.35 H new ATOM 0 HG SER A 30 1.750 11.656 -1.679 1.00 7.18 H new ATOM 475 N GLY A 31 -1.590 14.961 -3.280 1.00 6.36 N ATOM 476 CA GLY A 31 -1.724 16.387 -3.705 1.00 7.19 C ATOM 477 C GLY A 31 -2.648 17.119 -2.721 1.00 7.66 C ATOM 478 O GLY A 31 -2.698 16.772 -1.555 1.00 7.75 O ATOM 0 H GLY A 31 -2.275 14.654 -2.590 1.00 6.36 H new ATOM 0 HA2 GLY A 31 -0.745 16.866 -3.729 1.00 7.19 H new ATOM 0 HA3 GLY A 31 -2.131 16.442 -4.715 1.00 7.19 H new ATOM 482 N PRO A 32 -3.379 18.090 -3.222 1.00 8.17 N ATOM 483 CA PRO A 32 -4.341 18.855 -2.403 1.00 8.85 C ATOM 484 C PRO A 32 -5.566 17.974 -2.120 1.00 8.11 C ATOM 485 O PRO A 32 -6.139 18.011 -1.047 1.00 8.52 O ATOM 486 CB PRO A 32 -4.691 20.060 -3.283 1.00 9.69 C ATOM 487 CG PRO A 32 -4.357 19.649 -4.737 1.00 9.20 C ATOM 488 CD PRO A 32 -3.323 18.511 -4.642 1.00 8.39 C ATOM 0 HA PRO A 32 -3.956 19.169 -1.433 1.00 8.85 H new ATOM 0 HB2 PRO A 32 -5.745 20.320 -3.185 1.00 9.69 H new ATOM 0 HB3 PRO A 32 -4.117 20.938 -2.986 1.00 9.69 H new ATOM 0 HG2 PRO A 32 -5.253 19.317 -5.262 1.00 9.20 H new ATOM 0 HG3 PRO A 32 -3.954 20.494 -5.296 1.00 9.20 H new ATOM 0 HD2 PRO A 32 -3.573 17.688 -5.312 1.00 8.39 H new ATOM 0 HD3 PRO A 32 -2.326 18.854 -4.917 1.00 8.39 H new ATOM 496 N HIS A 33 -5.937 17.160 -3.082 1.00 7.21 N ATOM 497 CA HIS A 33 -7.092 16.223 -2.918 1.00 6.64 C ATOM 498 C HIS A 33 -6.840 15.303 -1.707 1.00 5.94 C ATOM 499 O HIS A 33 -7.740 15.000 -0.948 1.00 6.05 O ATOM 500 CB HIS A 33 -7.241 15.376 -4.200 1.00 6.27 C ATOM 501 CG HIS A 33 -5.974 14.593 -4.458 1.00 5.79 C ATOM 502 ND1 HIS A 33 -4.841 15.171 -5.017 1.00 6.54 N ATOM 503 CD2 HIS A 33 -5.635 13.289 -4.197 1.00 4.91 C ATOM 504 CE1 HIS A 33 -3.882 14.230 -5.060 1.00 6.20 C ATOM 505 NE2 HIS A 33 -4.314 13.062 -4.576 1.00 5.23 N ATOM 0 H HIS A 33 -5.477 17.106 -3.991 1.00 7.21 H new ATOM 0 HA HIS A 33 -8.008 16.790 -2.749 1.00 6.64 H new ATOM 0 HB2 HIS A 33 -8.085 14.693 -4.098 1.00 6.27 H new ATOM 0 HB3 HIS A 33 -7.456 16.024 -5.050 1.00 6.27 H new ATOM 0 HD2 HIS A 33 -6.293 12.550 -3.763 1.00 4.91 H new ATOM 0 HE1 HIS A 33 -2.885 14.398 -5.439 1.00 6.20 H new ATOM 0 HE2 HIS A 33 -3.789 12.191 -4.500 1.00 5.23 H new ATOM 513 N CYS A 34 -5.610 14.880 -1.521 1.00 5.51 N ATOM 514 CA CYS A 34 -5.255 14.007 -0.370 1.00 5.12 C ATOM 515 C CYS A 34 -3.758 14.172 -0.081 1.00 5.54 C ATOM 516 O CYS A 34 -2.917 13.786 -0.873 1.00 5.84 O ATOM 517 CB CYS A 34 -5.573 12.539 -0.690 1.00 4.12 C ATOM 518 SG CYS A 34 -6.253 11.739 0.785 1.00 4.37 S ATOM 0 H CYS A 34 -4.828 15.111 -2.134 1.00 5.51 H new ATOM 0 HA CYS A 34 -5.839 14.295 0.504 1.00 5.12 H new ATOM 0 HB2 CYS A 34 -6.287 12.480 -1.511 1.00 4.12 H new ATOM 0 HB3 CYS A 34 -4.670 12.022 -1.015 1.00 4.12 H new ATOM 523 N ALA A 35 -3.424 14.771 1.040 1.00 5.90 N ATOM 524 CA ALA A 35 -1.985 14.999 1.390 1.00 6.66 C ATOM 525 C ALA A 35 -1.223 13.671 1.485 1.00 6.33 C ATOM 526 O ALA A 35 -0.081 13.578 1.074 1.00 6.77 O ATOM 527 CB ALA A 35 -1.900 15.727 2.735 1.00 7.59 C ATOM 0 H ALA A 35 -4.092 15.113 1.731 1.00 5.90 H new ATOM 0 HA ALA A 35 -1.531 15.603 0.604 1.00 6.66 H new ATOM 0 HB1 ALA A 35 -0.854 15.894 2.993 1.00 7.59 H new ATOM 0 HB2 ALA A 35 -2.414 16.686 2.663 1.00 7.59 H new ATOM 0 HB3 ALA A 35 -2.371 15.120 3.508 1.00 7.59 H new ATOM 533 N ASN A 36 -1.837 12.652 2.029 1.00 5.85 N ATOM 534 CA ASN A 36 -1.142 11.335 2.159 1.00 5.88 C ATOM 535 C ASN A 36 -1.233 10.556 0.841 1.00 5.34 C ATOM 536 O ASN A 36 -2.269 10.515 0.203 1.00 5.26 O ATOM 537 CB ASN A 36 -1.798 10.522 3.279 1.00 6.50 C ATOM 538 CG ASN A 36 -1.109 10.833 4.610 1.00 7.27 C ATOM 539 OD1 ASN A 36 -1.606 11.616 5.396 1.00 7.78 O ATOM 540 ND2 ASN A 36 0.025 10.253 4.899 1.00 7.61 N ATOM 0 H ASN A 36 -2.791 12.675 2.389 1.00 5.85 H new ATOM 0 HA ASN A 36 -0.092 11.509 2.396 1.00 5.88 H new ATOM 0 HB2 ASN A 36 -2.859 10.762 3.343 1.00 6.50 H new ATOM 0 HB3 ASN A 36 -1.724 9.457 3.060 1.00 6.50 H new ATOM 0 HD21 ASN A 36 0.492 10.457 5.783 1.00 7.61 H new ATOM 0 HD22 ASN A 36 0.444 9.596 4.241 1.00 7.61 H new ATOM 547 N THR A 37 -0.151 9.927 0.440 1.00 5.30 N ATOM 548 CA THR A 37 -0.158 9.130 -0.829 1.00 5.18 C ATOM 549 C THR A 37 -0.957 7.839 -0.598 1.00 4.58 C ATOM 550 O THR A 37 -1.213 7.456 0.530 1.00 4.95 O ATOM 551 CB THR A 37 1.285 8.786 -1.237 1.00 5.98 C ATOM 552 OG1 THR A 37 2.162 9.824 -0.815 1.00 6.76 O ATOM 553 CG2 THR A 37 1.371 8.639 -2.757 1.00 6.31 C ATOM 0 H THR A 37 0.738 9.932 0.939 1.00 5.30 H new ATOM 0 HA THR A 37 -0.619 9.711 -1.628 1.00 5.18 H new ATOM 0 HB THR A 37 1.575 7.848 -0.764 1.00 5.98 H new ATOM 0 HG1 THR A 37 3.081 9.602 -1.075 1.00 6.76 H new ATOM 0 HG21 THR A 37 2.395 8.395 -3.042 1.00 6.31 H new ATOM 0 HG22 THR A 37 0.704 7.841 -3.084 1.00 6.31 H new ATOM 0 HG23 THR A 37 1.076 9.575 -3.230 1.00 6.31 H new ATOM 561 N GLU A 38 -1.368 7.168 -1.650 1.00 3.94 N ATOM 562 CA GLU A 38 -2.165 5.920 -1.462 1.00 3.67 C ATOM 563 C GLU A 38 -1.791 4.880 -2.522 1.00 2.99 C ATOM 564 O GLU A 38 -1.878 5.132 -3.709 1.00 3.33 O ATOM 565 CB GLU A 38 -3.652 6.261 -1.587 1.00 4.35 C ATOM 566 CG GLU A 38 -4.499 5.092 -1.074 1.00 4.96 C ATOM 567 CD GLU A 38 -5.928 5.231 -1.604 1.00 5.76 C ATOM 568 OE1 GLU A 38 -6.588 6.183 -1.225 1.00 6.10 O ATOM 569 OE2 GLU A 38 -6.336 4.383 -2.380 1.00 6.28 O ATOM 0 H GLU A 38 -1.187 7.430 -2.619 1.00 3.94 H new ATOM 0 HA GLU A 38 -1.953 5.504 -0.477 1.00 3.67 H new ATOM 0 HB2 GLU A 38 -3.877 7.162 -1.017 1.00 4.35 H new ATOM 0 HB3 GLU A 38 -3.900 6.472 -2.627 1.00 4.35 H new ATOM 0 HG2 GLU A 38 -4.068 4.145 -1.400 1.00 4.96 H new ATOM 0 HG3 GLU A 38 -4.503 5.082 0.016 1.00 4.96 H new ATOM 576 N ILE A 39 -1.398 3.704 -2.097 1.00 2.48 N ATOM 577 CA ILE A 39 -1.044 2.630 -3.073 1.00 2.38 C ATOM 578 C ILE A 39 -2.321 1.831 -3.386 1.00 2.16 C ATOM 579 O ILE A 39 -3.267 1.855 -2.622 1.00 2.22 O ATOM 580 CB ILE A 39 0.029 1.722 -2.447 1.00 2.57 C ATOM 581 CG1 ILE A 39 1.368 2.472 -2.409 1.00 2.79 C ATOM 582 CG2 ILE A 39 0.195 0.440 -3.272 1.00 3.44 C ATOM 583 CD1 ILE A 39 1.967 2.403 -1.002 1.00 2.94 C ATOM 0 H ILE A 39 -1.307 3.443 -1.115 1.00 2.48 H new ATOM 0 HA ILE A 39 -0.646 3.051 -3.996 1.00 2.38 H new ATOM 0 HB ILE A 39 -0.282 1.456 -1.437 1.00 2.57 H new ATOM 0 HG12 ILE A 39 2.060 2.035 -3.129 1.00 2.79 H new ATOM 0 HG13 ILE A 39 1.220 3.512 -2.700 1.00 2.79 H new ATOM 0 HG21 ILE A 39 0.958 -0.191 -2.815 1.00 3.44 H new ATOM 0 HG22 ILE A 39 -0.752 -0.099 -3.301 1.00 3.44 H new ATOM 0 HG23 ILE A 39 0.497 0.697 -4.287 1.00 3.44 H new ATOM 0 HD11 ILE A 39 2.917 2.938 -0.984 1.00 2.94 H new ATOM 0 HD12 ILE A 39 1.279 2.861 -0.291 1.00 2.94 H new ATOM 0 HD13 ILE A 39 2.132 1.361 -0.727 1.00 2.94 H new ATOM 595 N ILE A 40 -2.370 1.137 -4.500 1.00 2.34 N ATOM 596 CA ILE A 40 -3.602 0.351 -4.834 1.00 2.36 C ATOM 597 C ILE A 40 -3.237 -0.885 -5.658 1.00 2.37 C ATOM 598 O ILE A 40 -3.059 -0.813 -6.861 1.00 3.02 O ATOM 599 CB ILE A 40 -4.592 1.205 -5.640 1.00 3.14 C ATOM 600 CG1 ILE A 40 -4.949 2.469 -4.851 1.00 3.44 C ATOM 601 CG2 ILE A 40 -5.863 0.388 -5.901 1.00 3.70 C ATOM 602 CD1 ILE A 40 -5.757 3.421 -5.736 1.00 4.01 C ATOM 0 H ILE A 40 -1.618 1.081 -5.186 1.00 2.34 H new ATOM 0 HA ILE A 40 -4.066 0.047 -3.896 1.00 2.36 H new ATOM 0 HB ILE A 40 -4.137 1.493 -6.588 1.00 3.14 H new ATOM 0 HG12 ILE A 40 -5.525 2.205 -3.964 1.00 3.44 H new ATOM 0 HG13 ILE A 40 -4.040 2.962 -4.505 1.00 3.44 H new ATOM 0 HG21 ILE A 40 -6.570 0.988 -6.473 1.00 3.70 H new ATOM 0 HG22 ILE A 40 -5.609 -0.509 -6.465 1.00 3.70 H new ATOM 0 HG23 ILE A 40 -6.314 0.103 -4.950 1.00 3.70 H new ATOM 0 HD11 ILE A 40 -6.008 4.318 -5.170 1.00 4.01 H new ATOM 0 HD12 ILE A 40 -5.165 3.696 -6.609 1.00 4.01 H new ATOM 0 HD13 ILE A 40 -6.673 2.927 -6.060 1.00 4.01 H new ATOM 614 N VAL A 41 -3.143 -2.019 -5.018 1.00 2.04 N ATOM 615 CA VAL A 41 -2.815 -3.270 -5.749 1.00 2.10 C ATOM 616 C VAL A 41 -4.106 -4.054 -6.018 1.00 2.33 C ATOM 617 O VAL A 41 -5.145 -3.776 -5.447 1.00 2.79 O ATOM 618 CB VAL A 41 -1.861 -4.126 -4.908 1.00 2.21 C ATOM 619 CG1 VAL A 41 -0.559 -3.359 -4.668 1.00 2.87 C ATOM 620 CG2 VAL A 41 -2.508 -4.479 -3.561 1.00 3.20 C ATOM 0 H VAL A 41 -3.281 -2.130 -4.013 1.00 2.04 H new ATOM 0 HA VAL A 41 -2.334 -3.021 -6.695 1.00 2.10 H new ATOM 0 HB VAL A 41 -1.647 -5.048 -5.448 1.00 2.21 H new ATOM 0 HG11 VAL A 41 0.118 -3.969 -4.070 1.00 2.87 H new ATOM 0 HG12 VAL A 41 -0.091 -3.129 -5.625 1.00 2.87 H new ATOM 0 HG13 VAL A 41 -0.776 -2.432 -4.138 1.00 2.87 H new ATOM 0 HG21 VAL A 41 -1.819 -5.087 -2.975 1.00 3.20 H new ATOM 0 HG22 VAL A 41 -2.737 -3.563 -3.016 1.00 3.20 H new ATOM 0 HG23 VAL A 41 -3.428 -5.038 -3.734 1.00 3.20 H new ATOM 630 N LYS A 42 -4.042 -5.032 -6.882 1.00 2.44 N ATOM 631 CA LYS A 42 -5.247 -5.848 -7.198 1.00 2.97 C ATOM 632 C LYS A 42 -4.869 -7.335 -7.148 1.00 2.77 C ATOM 633 O LYS A 42 -4.360 -7.886 -8.107 1.00 2.98 O ATOM 634 CB LYS A 42 -5.756 -5.486 -8.600 1.00 3.77 C ATOM 635 CG LYS A 42 -7.017 -4.624 -8.487 1.00 4.68 C ATOM 636 CD LYS A 42 -8.255 -5.524 -8.446 1.00 5.42 C ATOM 637 CE LYS A 42 -8.719 -5.829 -9.873 1.00 5.72 C ATOM 638 NZ LYS A 42 -10.085 -6.427 -9.837 1.00 6.76 N ATOM 0 H LYS A 42 -3.197 -5.302 -7.386 1.00 2.44 H new ATOM 0 HA LYS A 42 -6.034 -5.647 -6.471 1.00 2.97 H new ATOM 0 HB2 LYS A 42 -4.984 -4.947 -9.149 1.00 3.77 H new ATOM 0 HB3 LYS A 42 -5.974 -6.393 -9.163 1.00 3.77 H new ATOM 0 HG2 LYS A 42 -6.971 -4.011 -7.587 1.00 4.68 H new ATOM 0 HG3 LYS A 42 -7.080 -3.941 -9.334 1.00 4.68 H new ATOM 0 HD2 LYS A 42 -8.025 -6.452 -7.922 1.00 5.42 H new ATOM 0 HD3 LYS A 42 -9.054 -5.034 -7.890 1.00 5.42 H new ATOM 0 HE2 LYS A 42 -8.726 -4.915 -10.467 1.00 5.72 H new ATOM 0 HE3 LYS A 42 -8.023 -6.516 -10.354 1.00 5.72 H new ATOM 0 HZ1 LYS A 42 -10.399 -6.634 -10.807 1.00 6.76 H new ATOM 0 HZ2 LYS A 42 -10.064 -7.308 -9.285 1.00 6.76 H new ATOM 0 HZ3 LYS A 42 -10.746 -5.757 -9.395 1.00 6.76 H new ATOM 652 N LEU A 43 -5.102 -7.979 -6.025 1.00 3.01 N ATOM 653 CA LEU A 43 -4.753 -9.425 -5.877 1.00 3.31 C ATOM 654 C LEU A 43 -5.335 -10.252 -7.027 1.00 3.92 C ATOM 655 O LEU A 43 -6.419 -9.982 -7.519 1.00 4.54 O ATOM 656 CB LEU A 43 -5.322 -9.950 -4.559 1.00 4.01 C ATOM 657 CG LEU A 43 -4.467 -9.453 -3.386 1.00 3.77 C ATOM 658 CD1 LEU A 43 -5.123 -9.855 -2.063 1.00 4.46 C ATOM 659 CD2 LEU A 43 -3.068 -10.075 -3.467 1.00 3.91 C ATOM 0 H LEU A 43 -5.524 -7.556 -5.198 1.00 3.01 H new ATOM 0 HA LEU A 43 -3.667 -9.517 -5.891 1.00 3.31 H new ATOM 0 HB2 LEU A 43 -6.352 -9.614 -4.438 1.00 4.01 H new ATOM 0 HB3 LEU A 43 -5.342 -11.040 -4.570 1.00 4.01 H new ATOM 0 HG LEU A 43 -4.387 -8.367 -3.438 1.00 3.77 H new ATOM 0 HD11 LEU A 43 -4.513 -9.500 -1.232 1.00 4.46 H new ATOM 0 HD12 LEU A 43 -6.116 -9.411 -2.000 1.00 4.46 H new ATOM 0 HD13 LEU A 43 -5.207 -10.941 -2.014 1.00 4.46 H new ATOM 0 HD21 LEU A 43 -2.463 -9.720 -2.633 1.00 3.91 H new ATOM 0 HD22 LEU A 43 -3.149 -11.161 -3.420 1.00 3.91 H new ATOM 0 HD23 LEU A 43 -2.595 -9.787 -4.406 1.00 3.91 H new ATOM 671 N SER A 44 -4.607 -11.266 -7.438 1.00 3.99 N ATOM 672 CA SER A 44 -5.061 -12.158 -8.550 1.00 4.72 C ATOM 673 C SER A 44 -6.426 -12.784 -8.227 1.00 5.55 C ATOM 674 O SER A 44 -7.181 -13.123 -9.118 1.00 6.08 O ATOM 675 CB SER A 44 -4.033 -13.274 -8.756 1.00 4.98 C ATOM 676 OG SER A 44 -4.125 -13.756 -10.090 1.00 5.08 O ATOM 0 H SER A 44 -3.701 -11.515 -7.041 1.00 3.99 H new ATOM 0 HA SER A 44 -5.156 -11.560 -9.456 1.00 4.72 H new ATOM 0 HB2 SER A 44 -3.028 -12.899 -8.561 1.00 4.98 H new ATOM 0 HB3 SER A 44 -4.213 -14.085 -8.051 1.00 4.98 H new ATOM 0 HG SER A 44 -3.467 -14.470 -10.226 1.00 5.08 H new ATOM 682 N ASP A 45 -6.751 -12.934 -6.961 1.00 5.91 N ATOM 683 CA ASP A 45 -8.064 -13.529 -6.581 1.00 7.02 C ATOM 684 C ASP A 45 -9.217 -12.558 -6.917 1.00 7.25 C ATOM 685 O ASP A 45 -10.376 -12.885 -6.739 1.00 8.19 O ATOM 686 CB ASP A 45 -8.068 -13.823 -5.075 1.00 7.64 C ATOM 687 CG ASP A 45 -9.029 -14.979 -4.775 1.00 8.01 C ATOM 688 OD1 ASP A 45 -8.669 -16.112 -5.054 1.00 8.63 O ATOM 689 OD2 ASP A 45 -10.107 -14.710 -4.271 1.00 7.89 O ATOM 0 H ASP A 45 -6.157 -12.667 -6.176 1.00 5.91 H new ATOM 0 HA ASP A 45 -8.209 -14.452 -7.143 1.00 7.02 H new ATOM 0 HB2 ASP A 45 -7.062 -14.078 -4.742 1.00 7.64 H new ATOM 0 HB3 ASP A 45 -8.370 -12.934 -4.522 1.00 7.64 H new ATOM 694 N GLY A 46 -8.909 -11.368 -7.388 1.00 6.57 N ATOM 695 CA GLY A 46 -9.974 -10.379 -7.717 1.00 7.07 C ATOM 696 C GLY A 46 -10.210 -9.480 -6.502 1.00 6.74 C ATOM 697 O GLY A 46 -11.320 -9.059 -6.241 1.00 7.17 O ATOM 0 H GLY A 46 -7.957 -11.044 -7.557 1.00 6.57 H new ATOM 0 HA2 GLY A 46 -9.678 -9.779 -8.578 1.00 7.07 H new ATOM 0 HA3 GLY A 46 -10.895 -10.894 -7.989 1.00 7.07 H new ATOM 701 N ARG A 47 -9.170 -9.196 -5.750 1.00 6.21 N ATOM 702 CA ARG A 47 -9.329 -8.339 -4.540 1.00 6.07 C ATOM 703 C ARG A 47 -8.636 -6.988 -4.760 1.00 5.32 C ATOM 704 O ARG A 47 -7.744 -6.866 -5.575 1.00 5.06 O ATOM 705 CB ARG A 47 -8.687 -9.056 -3.349 1.00 6.43 C ATOM 706 CG ARG A 47 -9.254 -8.513 -2.034 1.00 7.27 C ATOM 707 CD ARG A 47 -10.266 -9.509 -1.464 1.00 7.96 C ATOM 708 NE ARG A 47 -10.828 -8.973 -0.190 1.00 8.82 N ATOM 709 CZ ARG A 47 -12.002 -9.369 0.227 1.00 9.62 C ATOM 710 NH1 ARG A 47 -13.087 -8.819 -0.256 1.00 10.15 N ATOM 711 NH2 ARG A 47 -12.090 -10.312 1.129 1.00 10.10 N ATOM 0 H ARG A 47 -8.220 -9.523 -5.926 1.00 6.21 H new ATOM 0 HA ARG A 47 -10.388 -8.163 -4.348 1.00 6.07 H new ATOM 0 HB2 ARG A 47 -8.872 -10.128 -3.418 1.00 6.43 H new ATOM 0 HB3 ARG A 47 -7.606 -8.917 -3.372 1.00 6.43 H new ATOM 0 HG2 ARG A 47 -8.448 -8.348 -1.319 1.00 7.27 H new ATOM 0 HG3 ARG A 47 -9.733 -7.548 -2.203 1.00 7.27 H new ATOM 0 HD2 ARG A 47 -11.067 -9.682 -2.183 1.00 7.96 H new ATOM 0 HD3 ARG A 47 -9.785 -10.471 -1.286 1.00 7.96 H new ATOM 0 HE ARG A 47 -10.295 -8.296 0.357 1.00 8.82 H new ATOM 0 HH11 ARG A 47 -13.016 -8.082 -0.957 1.00 10.15 H new ATOM 0 HH12 ARG A 47 -14.003 -9.128 0.069 1.00 10.15 H new ATOM 0 HH21 ARG A 47 -11.243 -10.738 1.506 1.00 10.10 H new ATOM 0 HH22 ARG A 47 -13.005 -10.622 1.455 1.00 10.10 H new ATOM 725 N GLU A 48 -9.034 -5.980 -4.025 1.00 5.24 N ATOM 726 CA GLU A 48 -8.395 -4.638 -4.156 1.00 4.73 C ATOM 727 C GLU A 48 -7.973 -4.179 -2.762 1.00 4.69 C ATOM 728 O GLU A 48 -8.797 -4.009 -1.881 1.00 5.44 O ATOM 729 CB GLU A 48 -9.393 -3.638 -4.753 1.00 5.60 C ATOM 730 CG GLU A 48 -8.630 -2.469 -5.393 1.00 5.76 C ATOM 731 CD GLU A 48 -8.291 -1.422 -4.325 1.00 6.79 C ATOM 732 OE1 GLU A 48 -9.173 -0.654 -3.973 1.00 7.12 O ATOM 733 OE2 GLU A 48 -7.156 -1.404 -3.878 1.00 7.44 O ATOM 0 H GLU A 48 -9.782 -6.032 -3.333 1.00 5.24 H new ATOM 0 HA GLU A 48 -7.529 -4.695 -4.816 1.00 4.73 H new ATOM 0 HB2 GLU A 48 -10.015 -4.131 -5.499 1.00 5.60 H new ATOM 0 HB3 GLU A 48 -10.061 -3.267 -3.976 1.00 5.60 H new ATOM 0 HG2 GLU A 48 -7.716 -2.833 -5.862 1.00 5.76 H new ATOM 0 HG3 GLU A 48 -9.233 -2.017 -6.180 1.00 5.76 H new ATOM 740 N LEU A 49 -6.695 -3.984 -2.551 1.00 4.08 N ATOM 741 CA LEU A 49 -6.221 -3.545 -1.205 1.00 4.35 C ATOM 742 C LEU A 49 -5.293 -2.348 -1.357 1.00 3.99 C ATOM 743 O LEU A 49 -4.264 -2.439 -1.988 1.00 3.87 O ATOM 744 CB LEU A 49 -5.435 -4.676 -0.535 1.00 4.67 C ATOM 745 CG LEU A 49 -6.214 -5.233 0.660 1.00 4.92 C ATOM 746 CD1 LEU A 49 -7.204 -6.297 0.183 1.00 5.51 C ATOM 747 CD2 LEU A 49 -5.230 -5.868 1.645 1.00 4.69 C ATOM 0 H LEU A 49 -5.963 -4.110 -3.250 1.00 4.08 H new ATOM 0 HA LEU A 49 -7.087 -3.280 -0.598 1.00 4.35 H new ATOM 0 HB2 LEU A 49 -5.244 -5.471 -1.256 1.00 4.67 H new ATOM 0 HB3 LEU A 49 -4.464 -4.306 -0.204 1.00 4.67 H new ATOM 0 HG LEU A 49 -6.760 -4.424 1.146 1.00 4.92 H new ATOM 0 HD11 LEU A 49 -7.755 -6.690 1.037 1.00 5.51 H new ATOM 0 HD12 LEU A 49 -7.902 -5.853 -0.526 1.00 5.51 H new ATOM 0 HD13 LEU A 49 -6.661 -7.108 -0.302 1.00 5.51 H new ATOM 0 HD21 LEU A 49 -5.777 -6.267 2.499 1.00 4.69 H new ATOM 0 HD22 LEU A 49 -4.690 -6.675 1.150 1.00 4.69 H new ATOM 0 HD23 LEU A 49 -4.521 -5.114 1.988 1.00 4.69 H new ATOM 759 N CYS A 50 -5.620 -1.242 -0.752 1.00 3.99 N ATOM 760 CA CYS A 50 -4.720 -0.064 -0.838 1.00 3.63 C ATOM 761 C CYS A 50 -3.609 -0.271 0.180 1.00 3.49 C ATOM 762 O CYS A 50 -3.838 -0.798 1.250 1.00 4.14 O ATOM 763 CB CYS A 50 -5.473 1.215 -0.529 1.00 3.72 C ATOM 764 SG CYS A 50 -7.119 1.170 -1.289 1.00 4.64 S ATOM 0 H CYS A 50 -6.469 -1.104 -0.204 1.00 3.99 H new ATOM 0 HA CYS A 50 -4.317 0.029 -1.846 1.00 3.63 H new ATOM 0 HB2 CYS A 50 -5.566 1.340 0.550 1.00 3.72 H new ATOM 0 HB3 CYS A 50 -4.915 2.074 -0.902 1.00 3.72 H new ATOM 769 N LEU A 51 -2.409 0.102 -0.150 1.00 2.91 N ATOM 770 CA LEU A 51 -1.284 -0.115 0.789 1.00 2.96 C ATOM 771 C LEU A 51 -0.876 1.185 1.461 1.00 3.35 C ATOM 772 O LEU A 51 -1.162 2.278 0.992 1.00 3.56 O ATOM 773 CB LEU A 51 -0.090 -0.693 0.039 1.00 2.71 C ATOM 774 CG LEU A 51 -0.380 -2.139 -0.381 1.00 2.56 C ATOM 775 CD1 LEU A 51 -1.267 -2.157 -1.623 1.00 2.98 C ATOM 776 CD2 LEU A 51 0.939 -2.848 -0.692 1.00 2.61 C ATOM 0 H LEU A 51 -2.159 0.549 -1.032 1.00 2.91 H new ATOM 0 HA LEU A 51 -1.613 -0.815 1.557 1.00 2.96 H new ATOM 0 HB2 LEU A 51 0.124 -0.087 -0.841 1.00 2.71 H new ATOM 0 HB3 LEU A 51 0.797 -0.661 0.672 1.00 2.71 H new ATOM 0 HG LEU A 51 -0.895 -2.651 0.432 1.00 2.56 H new ATOM 0 HD11 LEU A 51 -1.467 -3.189 -1.913 1.00 2.98 H new ATOM 0 HD12 LEU A 51 -2.208 -1.653 -1.405 1.00 2.98 H new ATOM 0 HD13 LEU A 51 -0.760 -1.643 -2.440 1.00 2.98 H new ATOM 0 HD21 LEU A 51 0.737 -3.877 -0.991 1.00 2.61 H new ATOM 0 HD22 LEU A 51 1.449 -2.328 -1.503 1.00 2.61 H new ATOM 0 HD23 LEU A 51 1.571 -2.846 0.196 1.00 2.61 H new ATOM 788 N ASP A 52 -0.197 1.043 2.562 1.00 3.84 N ATOM 789 CA ASP A 52 0.276 2.211 3.344 1.00 4.35 C ATOM 790 C ASP A 52 1.807 2.301 3.227 1.00 4.47 C ATOM 791 O ASP A 52 2.516 1.425 3.695 1.00 4.73 O ATOM 792 CB ASP A 52 -0.138 2.003 4.810 1.00 4.93 C ATOM 793 CG ASP A 52 0.129 3.269 5.634 1.00 5.39 C ATOM 794 OD1 ASP A 52 -0.097 4.357 5.123 1.00 5.40 O ATOM 795 OD2 ASP A 52 0.546 3.128 6.769 1.00 5.96 O ATOM 0 H ASP A 52 0.056 0.139 2.962 1.00 3.84 H new ATOM 0 HA ASP A 52 -0.160 3.137 2.969 1.00 4.35 H new ATOM 0 HB2 ASP A 52 -1.196 1.746 4.861 1.00 4.93 H new ATOM 0 HB3 ASP A 52 0.414 1.164 5.234 1.00 4.93 H new ATOM 800 N PRO A 53 2.277 3.359 2.599 1.00 4.54 N ATOM 801 CA PRO A 53 3.725 3.580 2.389 1.00 4.96 C ATOM 802 C PRO A 53 4.451 3.894 3.707 1.00 5.21 C ATOM 803 O PRO A 53 5.665 3.980 3.739 1.00 5.67 O ATOM 804 CB PRO A 53 3.776 4.759 1.411 1.00 5.26 C ATOM 805 CG PRO A 53 2.420 5.487 1.536 1.00 5.04 C ATOM 806 CD PRO A 53 1.420 4.442 2.066 1.00 4.55 C ATOM 0 HA PRO A 53 4.232 2.696 2.002 1.00 4.96 H new ATOM 0 HB2 PRO A 53 4.601 5.429 1.653 1.00 5.26 H new ATOM 0 HB3 PRO A 53 3.937 4.411 0.391 1.00 5.26 H new ATOM 0 HG2 PRO A 53 2.495 6.335 2.217 1.00 5.04 H new ATOM 0 HG3 PRO A 53 2.098 5.880 0.571 1.00 5.04 H new ATOM 0 HD2 PRO A 53 0.779 4.861 2.842 1.00 4.55 H new ATOM 0 HD3 PRO A 53 0.766 4.079 1.274 1.00 4.55 H new ATOM 814 N LYS A 54 3.728 4.044 4.796 1.00 5.18 N ATOM 815 CA LYS A 54 4.382 4.324 6.101 1.00 5.61 C ATOM 816 C LYS A 54 5.263 3.131 6.503 1.00 5.02 C ATOM 817 O LYS A 54 6.258 3.298 7.183 1.00 5.42 O ATOM 818 CB LYS A 54 3.314 4.566 7.172 1.00 6.23 C ATOM 819 CG LYS A 54 3.565 5.909 7.861 1.00 7.12 C ATOM 820 CD LYS A 54 2.540 6.108 8.980 1.00 7.85 C ATOM 821 CE LYS A 54 2.770 7.462 9.657 1.00 8.63 C ATOM 822 NZ LYS A 54 2.017 7.510 10.944 1.00 9.56 N ATOM 0 H LYS A 54 2.710 3.983 4.828 1.00 5.18 H new ATOM 0 HA LYS A 54 5.004 5.214 6.010 1.00 5.61 H new ATOM 0 HB2 LYS A 54 2.323 4.559 6.718 1.00 6.23 H new ATOM 0 HB3 LYS A 54 3.334 3.761 7.907 1.00 6.23 H new ATOM 0 HG2 LYS A 54 4.575 5.937 8.269 1.00 7.12 H new ATOM 0 HG3 LYS A 54 3.491 6.721 7.137 1.00 7.12 H new ATOM 0 HD2 LYS A 54 1.530 6.061 8.573 1.00 7.85 H new ATOM 0 HD3 LYS A 54 2.626 5.305 9.712 1.00 7.85 H new ATOM 0 HE2 LYS A 54 3.834 7.613 9.840 1.00 8.63 H new ATOM 0 HE3 LYS A 54 2.442 8.269 9.001 1.00 8.63 H new ATOM 0 HZ1 LYS A 54 2.173 8.430 11.404 1.00 9.56 H new ATOM 0 HZ2 LYS A 54 1.002 7.385 10.757 1.00 9.56 H new ATOM 0 HZ3 LYS A 54 2.350 6.749 11.570 1.00 9.56 H new ATOM 836 N GLU A 55 4.920 1.930 6.075 1.00 4.37 N ATOM 837 CA GLU A 55 5.751 0.747 6.421 1.00 4.14 C ATOM 838 C GLU A 55 6.930 0.666 5.456 1.00 3.84 C ATOM 839 O GLU A 55 6.972 1.348 4.448 1.00 3.83 O ATOM 840 CB GLU A 55 4.921 -0.530 6.276 1.00 4.19 C ATOM 841 CG GLU A 55 3.933 -0.648 7.436 1.00 4.76 C ATOM 842 CD GLU A 55 2.691 0.198 7.152 1.00 5.39 C ATOM 843 OE1 GLU A 55 1.909 -0.199 6.303 1.00 5.43 O ATOM 844 OE2 GLU A 55 2.542 1.226 7.789 1.00 6.13 O ATOM 0 H GLU A 55 4.100 1.730 5.503 1.00 4.37 H new ATOM 0 HA GLU A 55 6.103 0.845 7.448 1.00 4.14 H new ATOM 0 HB2 GLU A 55 4.382 -0.517 5.329 1.00 4.19 H new ATOM 0 HB3 GLU A 55 5.578 -1.400 6.257 1.00 4.19 H new ATOM 0 HG2 GLU A 55 3.649 -1.691 7.578 1.00 4.76 H new ATOM 0 HG3 GLU A 55 4.405 -0.318 8.361 1.00 4.76 H new ATOM 851 N ASN A 56 7.868 -0.187 5.745 1.00 3.90 N ATOM 852 CA ASN A 56 9.039 -0.350 4.839 1.00 3.93 C ATOM 853 C ASN A 56 8.780 -1.509 3.874 1.00 3.74 C ATOM 854 O ASN A 56 9.444 -1.636 2.866 1.00 3.89 O ATOM 855 CB ASN A 56 10.288 -0.641 5.657 1.00 4.29 C ATOM 856 CG ASN A 56 11.305 0.489 5.471 1.00 4.70 C ATOM 857 OD1 ASN A 56 11.314 1.442 6.223 1.00 4.90 O ATOM 858 ND2 ASN A 56 12.167 0.424 4.490 1.00 5.15 N ATOM 0 H ASN A 56 7.876 -0.782 6.573 1.00 3.90 H new ATOM 0 HA ASN A 56 9.186 0.570 4.274 1.00 3.93 H new ATOM 0 HB2 ASN A 56 10.029 -0.739 6.711 1.00 4.29 H new ATOM 0 HB3 ASN A 56 10.724 -1.590 5.346 1.00 4.29 H new ATOM 0 HD21 ASN A 56 12.846 1.173 4.357 1.00 5.15 H new ATOM 0 HD22 ASN A 56 12.160 -0.376 3.858 1.00 5.15 H new ATOM 865 N TRP A 57 7.816 -2.354 4.172 1.00 3.55 N ATOM 866 CA TRP A 57 7.518 -3.492 3.273 1.00 3.47 C ATOM 867 C TRP A 57 6.637 -3.016 2.122 1.00 3.28 C ATOM 868 O TRP A 57 6.793 -3.449 1.006 1.00 3.48 O ATOM 869 CB TRP A 57 6.835 -4.617 4.060 1.00 3.64 C ATOM 870 CG TRP A 57 5.409 -4.302 4.367 1.00 3.70 C ATOM 871 CD1 TRP A 57 4.975 -3.857 5.551 1.00 4.08 C ATOM 872 CD2 TRP A 57 4.231 -4.416 3.513 1.00 3.51 C ATOM 873 NE1 TRP A 57 3.606 -3.715 5.501 1.00 4.20 N ATOM 874 CE2 TRP A 57 3.101 -4.031 4.265 1.00 3.80 C ATOM 875 CE3 TRP A 57 4.034 -4.812 2.181 1.00 3.27 C ATOM 876 CZ2 TRP A 57 1.818 -4.036 3.718 1.00 3.76 C ATOM 877 CZ3 TRP A 57 2.745 -4.815 1.624 1.00 3.17 C ATOM 878 CH2 TRP A 57 1.638 -4.429 2.393 1.00 3.38 C ATOM 0 H TRP A 57 7.228 -2.294 5.004 1.00 3.55 H new ATOM 0 HA TRP A 57 8.447 -3.884 2.859 1.00 3.47 H new ATOM 0 HB2 TRP A 57 6.886 -5.543 3.487 1.00 3.64 H new ATOM 0 HB3 TRP A 57 7.376 -4.788 4.990 1.00 3.64 H new ATOM 0 HD1 TRP A 57 5.597 -3.644 6.408 1.00 4.08 H new ATOM 0 HE1 TRP A 57 3.035 -3.411 6.290 1.00 4.20 H new ATOM 0 HE3 TRP A 57 4.879 -5.116 1.581 1.00 3.27 H new ATOM 0 HZ2 TRP A 57 0.970 -3.738 4.317 1.00 3.76 H new ATOM 0 HZ3 TRP A 57 2.605 -5.117 0.596 1.00 3.17 H new ATOM 0 HH2 TRP A 57 0.649 -4.436 1.960 1.00 3.38 H new ATOM 889 N VAL A 58 5.722 -2.120 2.386 1.00 3.02 N ATOM 890 CA VAL A 58 4.842 -1.603 1.295 1.00 2.84 C ATOM 891 C VAL A 58 5.707 -0.849 0.280 1.00 2.99 C ATOM 892 O VAL A 58 5.539 -0.992 -0.916 1.00 3.21 O ATOM 893 CB VAL A 58 3.792 -0.658 1.899 1.00 2.78 C ATOM 894 CG1 VAL A 58 3.338 0.380 0.868 1.00 2.80 C ATOM 895 CG2 VAL A 58 2.582 -1.463 2.362 1.00 2.85 C ATOM 0 H VAL A 58 5.546 -1.724 3.309 1.00 3.02 H new ATOM 0 HA VAL A 58 4.333 -2.427 0.796 1.00 2.84 H new ATOM 0 HB VAL A 58 4.243 -0.141 2.746 1.00 2.78 H new ATOM 0 HG11 VAL A 58 2.595 1.038 1.318 1.00 2.80 H new ATOM 0 HG12 VAL A 58 4.195 0.969 0.543 1.00 2.80 H new ATOM 0 HG13 VAL A 58 2.900 -0.128 0.009 1.00 2.80 H new ATOM 0 HG21 VAL A 58 1.839 -0.790 2.790 1.00 2.85 H new ATOM 0 HG22 VAL A 58 2.148 -1.989 1.512 1.00 2.85 H new ATOM 0 HG23 VAL A 58 2.893 -2.186 3.116 1.00 2.85 H new ATOM 905 N GLN A 59 6.635 -0.051 0.752 1.00 3.12 N ATOM 906 CA GLN A 59 7.515 0.709 -0.177 1.00 3.61 C ATOM 907 C GLN A 59 8.578 -0.227 -0.781 1.00 3.90 C ATOM 908 O GLN A 59 9.057 0.003 -1.875 1.00 4.47 O ATOM 909 CB GLN A 59 8.173 1.859 0.580 1.00 3.82 C ATOM 910 CG GLN A 59 9.178 1.295 1.569 1.00 4.33 C ATOM 911 CD GLN A 59 9.764 2.422 2.425 1.00 4.72 C ATOM 912 OE1 GLN A 59 9.140 2.874 3.365 1.00 4.84 O ATOM 913 NE2 GLN A 59 10.946 2.898 2.140 1.00 5.29 N ATOM 0 H GLN A 59 6.817 0.104 1.744 1.00 3.12 H new ATOM 0 HA GLN A 59 6.920 1.118 -0.994 1.00 3.61 H new ATOM 0 HB2 GLN A 59 8.670 2.532 -0.118 1.00 3.82 H new ATOM 0 HB3 GLN A 59 7.418 2.444 1.104 1.00 3.82 H new ATOM 0 HG2 GLN A 59 8.695 0.556 2.208 1.00 4.33 H new ATOM 0 HG3 GLN A 59 9.977 0.781 1.034 1.00 4.33 H new ATOM 0 HE21 GLN A 59 11.471 2.520 1.352 1.00 5.29 H new ATOM 0 HE22 GLN A 59 11.344 3.648 2.706 1.00 5.29 H new ATOM 922 N ARG A 60 8.927 -1.292 -0.090 1.00 3.65 N ATOM 923 CA ARG A 60 9.931 -2.252 -0.642 1.00 3.97 C ATOM 924 C ARG A 60 9.213 -3.190 -1.613 1.00 3.96 C ATOM 925 O ARG A 60 9.732 -3.530 -2.658 1.00 4.42 O ATOM 926 CB ARG A 60 10.553 -3.071 0.495 1.00 4.07 C ATOM 927 CG ARG A 60 11.803 -2.360 1.026 1.00 4.60 C ATOM 928 CD ARG A 60 13.033 -2.813 0.234 1.00 4.81 C ATOM 929 NE ARG A 60 13.452 -4.171 0.690 1.00 5.26 N ATOM 930 CZ ARG A 60 14.610 -4.339 1.274 1.00 5.84 C ATOM 931 NH1 ARG A 60 14.711 -4.220 2.573 1.00 6.35 N ATOM 932 NH2 ARG A 60 15.667 -4.629 0.558 1.00 6.25 N ATOM 0 H ARG A 60 8.558 -1.533 0.830 1.00 3.65 H new ATOM 0 HA ARG A 60 10.724 -1.707 -1.155 1.00 3.97 H new ATOM 0 HB2 ARG A 60 9.829 -3.202 1.299 1.00 4.07 H new ATOM 0 HB3 ARG A 60 10.815 -4.067 0.137 1.00 4.07 H new ATOM 0 HG2 ARG A 60 11.682 -1.280 0.941 1.00 4.60 H new ATOM 0 HG3 ARG A 60 11.938 -2.584 2.084 1.00 4.60 H new ATOM 0 HD2 ARG A 60 12.805 -2.831 -0.832 1.00 4.81 H new ATOM 0 HD3 ARG A 60 13.849 -2.104 0.374 1.00 4.81 H new ATOM 0 HE ARG A 60 12.834 -4.970 0.546 1.00 5.26 H new ATOM 0 HH11 ARG A 60 13.887 -3.996 3.130 1.00 6.35 H new ATOM 0 HH12 ARG A 60 15.614 -4.351 3.028 1.00 6.35 H new ATOM 0 HH21 ARG A 60 15.587 -4.724 -0.454 1.00 6.25 H new ATOM 0 HH22 ARG A 60 16.571 -4.760 1.013 1.00 6.25 H new ATOM 946 N VAL A 61 8.009 -3.593 -1.272 1.00 3.58 N ATOM 947 CA VAL A 61 7.219 -4.492 -2.162 1.00 3.55 C ATOM 948 C VAL A 61 6.924 -3.760 -3.475 1.00 3.25 C ATOM 949 O VAL A 61 7.040 -4.326 -4.546 1.00 3.52 O ATOM 950 CB VAL A 61 5.907 -4.866 -1.451 1.00 3.59 C ATOM 951 CG1 VAL A 61 4.874 -5.364 -2.463 1.00 3.56 C ATOM 952 CG2 VAL A 61 6.183 -5.968 -0.426 1.00 4.31 C ATOM 0 H VAL A 61 7.540 -3.332 -0.405 1.00 3.58 H new ATOM 0 HA VAL A 61 7.779 -5.401 -2.381 1.00 3.55 H new ATOM 0 HB VAL A 61 5.513 -3.981 -0.951 1.00 3.59 H new ATOM 0 HG11 VAL A 61 3.952 -5.624 -1.943 1.00 3.56 H new ATOM 0 HG12 VAL A 61 4.671 -4.579 -3.192 1.00 3.56 H new ATOM 0 HG13 VAL A 61 5.262 -6.244 -2.976 1.00 3.56 H new ATOM 0 HG21 VAL A 61 5.255 -6.235 0.080 1.00 4.31 H new ATOM 0 HG22 VAL A 61 6.585 -6.845 -0.934 1.00 4.31 H new ATOM 0 HG23 VAL A 61 6.906 -5.610 0.307 1.00 4.31 H new ATOM 962 N VAL A 62 6.562 -2.501 -3.398 1.00 2.99 N ATOM 963 CA VAL A 62 6.278 -1.719 -4.639 1.00 3.22 C ATOM 964 C VAL A 62 7.590 -1.527 -5.417 1.00 3.80 C ATOM 965 O VAL A 62 7.607 -1.574 -6.633 1.00 4.15 O ATOM 966 CB VAL A 62 5.678 -0.355 -4.262 1.00 3.53 C ATOM 967 CG1 VAL A 62 5.568 0.531 -5.507 1.00 4.40 C ATOM 968 CG2 VAL A 62 4.281 -0.556 -3.665 1.00 3.34 C ATOM 0 H VAL A 62 6.451 -1.982 -2.527 1.00 2.99 H new ATOM 0 HA VAL A 62 5.563 -2.254 -5.263 1.00 3.22 H new ATOM 0 HB VAL A 62 6.327 0.127 -3.531 1.00 3.53 H new ATOM 0 HG11 VAL A 62 5.142 1.495 -5.231 1.00 4.40 H new ATOM 0 HG12 VAL A 62 6.559 0.681 -5.935 1.00 4.40 H new ATOM 0 HG13 VAL A 62 4.925 0.047 -6.242 1.00 4.40 H new ATOM 0 HG21 VAL A 62 3.857 0.412 -3.398 1.00 3.34 H new ATOM 0 HG22 VAL A 62 3.639 -1.044 -4.398 1.00 3.34 H new ATOM 0 HG23 VAL A 62 4.353 -1.179 -2.773 1.00 3.34 H new ATOM 978 N GLU A 63 8.689 -1.320 -4.722 1.00 4.04 N ATOM 979 CA GLU A 63 9.998 -1.137 -5.407 1.00 4.68 C ATOM 980 C GLU A 63 10.406 -2.444 -6.098 1.00 4.70 C ATOM 981 O GLU A 63 10.831 -2.440 -7.235 1.00 5.23 O ATOM 982 CB GLU A 63 11.070 -0.746 -4.384 1.00 5.11 C ATOM 983 CG GLU A 63 11.637 0.633 -4.733 1.00 5.73 C ATOM 984 CD GLU A 63 12.732 1.006 -3.729 1.00 6.00 C ATOM 985 OE1 GLU A 63 12.389 1.384 -2.620 1.00 6.04 O ATOM 986 OE2 GLU A 63 13.895 0.911 -4.087 1.00 6.46 O ATOM 0 H GLU A 63 8.727 -1.271 -3.704 1.00 4.04 H new ATOM 0 HA GLU A 63 9.903 -0.346 -6.151 1.00 4.68 H new ATOM 0 HB2 GLU A 63 10.642 -0.731 -3.382 1.00 5.11 H new ATOM 0 HB3 GLU A 63 11.869 -1.488 -4.378 1.00 5.11 H new ATOM 0 HG2 GLU A 63 12.044 0.625 -5.744 1.00 5.73 H new ATOM 0 HG3 GLU A 63 10.843 1.379 -4.715 1.00 5.73 H new ATOM 993 N LYS A 64 10.274 -3.562 -5.421 1.00 4.35 N ATOM 994 CA LYS A 64 10.646 -4.867 -6.035 1.00 4.71 C ATOM 995 C LYS A 64 9.677 -5.195 -7.183 1.00 4.54 C ATOM 996 O LYS A 64 10.040 -5.854 -8.140 1.00 5.00 O ATOM 997 CB LYS A 64 10.576 -5.971 -4.973 1.00 4.74 C ATOM 998 CG LYS A 64 11.687 -6.998 -5.220 1.00 5.62 C ATOM 999 CD LYS A 64 11.137 -8.166 -6.045 1.00 6.24 C ATOM 1000 CE LYS A 64 10.530 -9.217 -5.112 1.00 7.07 C ATOM 1001 NZ LYS A 64 10.039 -10.374 -5.914 1.00 7.79 N ATOM 0 H LYS A 64 9.922 -3.621 -4.465 1.00 4.35 H new ATOM 0 HA LYS A 64 11.661 -4.804 -6.428 1.00 4.71 H new ATOM 0 HB2 LYS A 64 10.682 -5.539 -3.978 1.00 4.74 H new ATOM 0 HB3 LYS A 64 9.602 -6.460 -5.006 1.00 4.74 H new ATOM 0 HG2 LYS A 64 12.519 -6.529 -5.746 1.00 5.62 H new ATOM 0 HG3 LYS A 64 12.076 -7.363 -4.269 1.00 5.62 H new ATOM 0 HD2 LYS A 64 10.381 -7.806 -6.744 1.00 6.24 H new ATOM 0 HD3 LYS A 64 11.935 -8.611 -6.640 1.00 6.24 H new ATOM 0 HE2 LYS A 64 11.276 -9.552 -4.391 1.00 7.07 H new ATOM 0 HE3 LYS A 64 9.709 -8.782 -4.543 1.00 7.07 H new ATOM 0 HZ1 LYS A 64 9.627 -11.087 -5.279 1.00 7.79 H new ATOM 0 HZ2 LYS A 64 9.314 -10.049 -6.585 1.00 7.79 H new ATOM 0 HZ3 LYS A 64 10.833 -10.795 -6.438 1.00 7.79 H new ATOM 1015 N PHE A 65 8.450 -4.737 -7.088 1.00 4.02 N ATOM 1016 CA PHE A 65 7.443 -5.010 -8.155 1.00 3.99 C ATOM 1017 C PHE A 65 7.737 -4.147 -9.391 1.00 4.72 C ATOM 1018 O PHE A 65 7.675 -4.620 -10.511 1.00 5.31 O ATOM 1019 CB PHE A 65 6.057 -4.660 -7.608 1.00 3.16 C ATOM 1020 CG PHE A 65 4.994 -5.467 -8.317 1.00 3.02 C ATOM 1021 CD1 PHE A 65 4.923 -6.856 -8.136 1.00 3.45 C ATOM 1022 CD2 PHE A 65 4.075 -4.824 -9.151 1.00 2.97 C ATOM 1023 CE1 PHE A 65 3.932 -7.595 -8.793 1.00 3.48 C ATOM 1024 CE2 PHE A 65 3.084 -5.563 -9.808 1.00 3.10 C ATOM 1025 CZ PHE A 65 3.013 -6.950 -9.629 1.00 3.19 C ATOM 0 H PHE A 65 8.103 -4.180 -6.307 1.00 4.02 H new ATOM 0 HA PHE A 65 7.485 -6.060 -8.444 1.00 3.99 H new ATOM 0 HB2 PHE A 65 6.020 -4.859 -6.537 1.00 3.16 H new ATOM 0 HB3 PHE A 65 5.864 -3.595 -7.741 1.00 3.16 H new ATOM 0 HD1 PHE A 65 5.631 -7.354 -7.491 1.00 3.45 H new ATOM 0 HD2 PHE A 65 4.130 -3.754 -9.289 1.00 2.97 H new ATOM 0 HE1 PHE A 65 3.876 -8.665 -8.655 1.00 3.48 H new ATOM 0 HE2 PHE A 65 2.375 -5.064 -10.452 1.00 3.10 H new ATOM 0 HZ PHE A 65 2.250 -7.522 -10.136 1.00 3.19 H new ATOM 1035 N LEU A 66 8.045 -2.885 -9.196 1.00 4.92 N ATOM 1036 CA LEU A 66 8.328 -1.987 -10.361 1.00 5.86 C ATOM 1037 C LEU A 66 9.823 -2.027 -10.707 1.00 6.61 C ATOM 1038 O LEU A 66 10.196 -2.433 -11.791 1.00 7.33 O ATOM 1039 CB LEU A 66 7.914 -0.552 -10.015 1.00 6.18 C ATOM 1040 CG LEU A 66 6.453 -0.330 -10.422 1.00 7.14 C ATOM 1041 CD1 LEU A 66 5.810 0.701 -9.491 1.00 7.61 C ATOM 1042 CD2 LEU A 66 6.397 0.181 -11.865 1.00 7.67 C ATOM 0 H LEU A 66 8.112 -2.439 -8.281 1.00 4.92 H new ATOM 0 HA LEU A 66 7.757 -2.331 -11.223 1.00 5.86 H new ATOM 0 HB2 LEU A 66 8.036 -0.374 -8.947 1.00 6.18 H new ATOM 0 HB3 LEU A 66 8.559 0.159 -10.532 1.00 6.18 H new ATOM 0 HG LEU A 66 5.910 -1.272 -10.347 1.00 7.14 H new ATOM 0 HD11 LEU A 66 4.771 0.857 -9.783 1.00 7.61 H new ATOM 0 HD12 LEU A 66 5.848 0.338 -8.464 1.00 7.61 H new ATOM 0 HD13 LEU A 66 6.352 1.644 -9.562 1.00 7.61 H new ATOM 0 HD21 LEU A 66 5.358 0.339 -12.155 1.00 7.67 H new ATOM 0 HD22 LEU A 66 6.942 1.122 -11.939 1.00 7.67 H new ATOM 0 HD23 LEU A 66 6.851 -0.554 -12.529 1.00 7.67 H new ATOM 1054 N LYS A 67 10.674 -1.605 -9.792 1.00 6.57 N ATOM 1055 CA LYS A 67 12.157 -1.604 -10.036 1.00 7.47 C ATOM 1056 C LYS A 67 12.521 -0.541 -11.090 1.00 7.85 C ATOM 1057 O LYS A 67 12.968 0.538 -10.750 1.00 8.14 O ATOM 1058 CB LYS A 67 12.625 -2.997 -10.494 1.00 7.84 C ATOM 1059 CG LYS A 67 14.154 -3.021 -10.617 1.00 8.78 C ATOM 1060 CD LYS A 67 14.782 -3.154 -9.226 1.00 9.42 C ATOM 1061 CE LYS A 67 16.287 -3.406 -9.366 1.00 10.12 C ATOM 1062 NZ LYS A 67 16.987 -2.124 -9.674 1.00 10.40 N ATOM 0 H LYS A 67 10.397 -1.257 -8.874 1.00 6.57 H new ATOM 0 HA LYS A 67 12.665 -1.359 -9.103 1.00 7.47 H new ATOM 0 HB2 LYS A 67 12.297 -3.753 -9.780 1.00 7.84 H new ATOM 0 HB3 LYS A 67 12.171 -3.246 -11.453 1.00 7.84 H new ATOM 0 HG2 LYS A 67 14.465 -3.854 -11.248 1.00 8.78 H new ATOM 0 HG3 LYS A 67 14.504 -2.108 -11.099 1.00 8.78 H new ATOM 0 HD2 LYS A 67 14.607 -2.247 -8.648 1.00 9.42 H new ATOM 0 HD3 LYS A 67 14.314 -3.974 -8.681 1.00 9.42 H new ATOM 0 HE2 LYS A 67 16.681 -3.834 -8.444 1.00 10.12 H new ATOM 0 HE3 LYS A 67 16.472 -4.131 -10.158 1.00 10.12 H new ATOM 0 HZ1 LYS A 67 18.008 -2.300 -9.768 1.00 10.40 H new ATOM 0 HZ2 LYS A 67 16.619 -1.733 -10.565 1.00 10.40 H new ATOM 0 HZ3 LYS A 67 16.822 -1.445 -8.904 1.00 10.40 H new ATOM 1076 N ARG A 68 12.336 -0.831 -12.358 1.00 8.12 N ATOM 1077 CA ARG A 68 12.676 0.167 -13.419 1.00 8.78 C ATOM 1078 C ARG A 68 11.441 1.009 -13.759 1.00 8.99 C ATOM 1079 O ARG A 68 10.355 0.768 -13.260 1.00 8.81 O ATOM 1080 CB ARG A 68 13.154 -0.562 -14.678 1.00 9.33 C ATOM 1081 CG ARG A 68 14.577 -1.085 -14.462 1.00 9.61 C ATOM 1082 CD ARG A 68 15.280 -1.235 -15.815 1.00 10.05 C ATOM 1083 NE ARG A 68 15.753 0.101 -16.283 1.00 10.53 N ATOM 1084 CZ ARG A 68 16.969 0.242 -16.740 1.00 10.90 C ATOM 1085 NH1 ARG A 68 17.966 0.405 -15.908 1.00 11.02 N ATOM 1086 NH2 ARG A 68 17.188 0.223 -18.030 1.00 11.35 N ATOM 0 H ARG A 68 11.964 -1.716 -12.702 1.00 8.12 H new ATOM 0 HA ARG A 68 13.468 0.820 -13.051 1.00 8.78 H new ATOM 0 HB2 ARG A 68 12.483 -1.390 -14.908 1.00 9.33 H new ATOM 0 HB3 ARG A 68 13.130 0.114 -15.533 1.00 9.33 H new ATOM 0 HG2 ARG A 68 15.135 -0.399 -13.825 1.00 9.61 H new ATOM 0 HG3 ARG A 68 14.548 -2.045 -13.947 1.00 9.61 H new ATOM 0 HD2 ARG A 68 16.123 -1.920 -15.724 1.00 10.05 H new ATOM 0 HD3 ARG A 68 14.596 -1.667 -16.546 1.00 10.05 H new ATOM 0 HE ARG A 68 15.126 0.905 -16.246 1.00 10.53 H new ATOM 0 HH11 ARG A 68 17.794 0.422 -14.903 1.00 11.02 H new ATOM 0 HH12 ARG A 68 18.915 0.515 -16.265 1.00 11.02 H new ATOM 0 HH21 ARG A 68 16.410 0.098 -18.678 1.00 11.35 H new ATOM 0 HH22 ARG A 68 18.137 0.333 -18.388 1.00 11.35 H new ATOM 1100 N ALA A 69 11.602 1.993 -14.609 1.00 9.61 N ATOM 1101 CA ALA A 69 10.447 2.862 -14.997 1.00 10.14 C ATOM 1102 C ALA A 69 10.783 3.631 -16.282 1.00 10.89 C ATOM 1103 O ALA A 69 10.080 3.532 -17.270 1.00 11.20 O ATOM 1104 CB ALA A 69 10.148 3.855 -13.867 1.00 10.08 C ATOM 0 H ALA A 69 12.488 2.233 -15.053 1.00 9.61 H new ATOM 0 HA ALA A 69 9.571 2.237 -15.172 1.00 10.14 H new ATOM 0 HB1 ALA A 69 9.307 4.487 -14.151 1.00 10.08 H new ATOM 0 HB2 ALA A 69 9.900 3.308 -12.958 1.00 10.08 H new ATOM 0 HB3 ALA A 69 11.025 4.477 -13.688 1.00 10.08 H new ATOM 1110 N GLU A 70 11.850 4.398 -16.274 1.00 11.37 N ATOM 1111 CA GLU A 70 12.231 5.179 -17.493 1.00 12.24 C ATOM 1112 C GLU A 70 13.720 4.976 -17.796 1.00 12.45 C ATOM 1113 O GLU A 70 14.080 4.500 -18.858 1.00 12.32 O ATOM 1114 CB GLU A 70 11.954 6.667 -17.254 1.00 12.79 C ATOM 1115 CG GLU A 70 10.466 6.956 -17.470 1.00 12.48 C ATOM 1116 CD GLU A 70 10.166 8.410 -17.095 1.00 13.18 C ATOM 1117 OE1 GLU A 70 10.460 9.282 -17.897 1.00 13.39 O ATOM 1118 OE2 GLU A 70 9.645 8.628 -16.013 1.00 13.63 O ATOM 0 H GLU A 70 12.473 4.516 -15.475 1.00 11.37 H new ATOM 0 HA GLU A 70 11.642 4.831 -18.342 1.00 12.24 H new ATOM 0 HB2 GLU A 70 12.244 6.943 -16.240 1.00 12.79 H new ATOM 0 HB3 GLU A 70 12.554 7.272 -17.933 1.00 12.79 H new ATOM 0 HG2 GLU A 70 10.197 6.775 -18.511 1.00 12.48 H new ATOM 0 HG3 GLU A 70 9.862 6.281 -16.863 1.00 12.48 H new ATOM 1125 N ASN A 71 14.584 5.338 -16.871 1.00 12.96 N ATOM 1126 CA ASN A 71 16.059 5.178 -17.087 1.00 13.39 C ATOM 1127 C ASN A 71 16.501 6.003 -18.310 1.00 13.77 C ATOM 1128 O ASN A 71 17.240 5.531 -19.158 1.00 13.98 O ATOM 1129 CB ASN A 71 16.389 3.693 -17.303 1.00 13.14 C ATOM 1130 CG ASN A 71 17.859 3.436 -16.957 1.00 12.70 C ATOM 1131 OD1 ASN A 71 18.256 3.561 -15.815 1.00 12.77 O ATOM 1132 ND2 ASN A 71 18.689 3.077 -17.900 1.00 12.41 N ATOM 0 H ASN A 71 14.326 5.740 -15.970 1.00 12.96 H new ATOM 0 HA ASN A 71 16.595 5.538 -16.209 1.00 13.39 H new ATOM 0 HB2 ASN A 71 15.745 3.073 -16.680 1.00 13.14 H new ATOM 0 HB3 ASN A 71 16.195 3.414 -18.339 1.00 13.14 H new ATOM 0 HD21 ASN A 71 19.669 2.902 -17.677 1.00 12.41 H new ATOM 0 HD22 ASN A 71 18.357 2.972 -18.859 1.00 12.41 H new ATOM 1139 N SER A 72 16.055 7.234 -18.404 1.00 14.02 N ATOM 1140 CA SER A 72 16.445 8.096 -19.563 1.00 14.59 C ATOM 1141 C SER A 72 16.619 9.545 -19.094 1.00 15.09 C ATOM 1142 O SER A 72 15.698 10.072 -18.487 1.00 15.38 O ATOM 1143 CB SER A 72 15.359 8.031 -20.643 1.00 14.66 C ATOM 1144 OG SER A 72 15.352 6.734 -21.228 1.00 14.60 O ATOM 1145 OXT SER A 72 17.673 10.105 -19.349 1.00 15.30 O ATOM 0 H SER A 72 15.436 7.679 -17.726 1.00 14.02 H new ATOM 0 HA SER A 72 17.387 7.736 -19.977 1.00 14.59 H new ATOM 0 HB2 SER A 72 14.384 8.251 -20.208 1.00 14.66 H new ATOM 0 HB3 SER A 72 15.545 8.786 -21.407 1.00 14.66 H new ATOM 0 HG SER A 72 14.657 6.690 -21.918 1.00 14.60 H new TER 1151 SER A 72