USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 817 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 THR OG1 : rot 95:sc= 1.09 USER MOD Set 1.2: A 111 ASN : amide:sc= -1.62 K(o=-0.53,f=-1.1!) USER MOD Set 2.1: A 29 ASN : amide:sc= 0.828 K(o=1.6,f=0.29) USER MOD Set 2.2: A 30 THR OG1 : rot 180:sc= 0.769 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -7.91! C(o=-7.9!,f=-16!) USER MOD Single : A 14 THR OG1 : rot 77:sc= 1.37 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.177 F(o=-1.8!,f=-0.18) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -3.53! C(o=-3.5!,f=-7.1!) USER MOD Single : A 27 SER OG : rot 62:sc= 0.211 USER MOD Single : A 31 ASN : amide:sc= 0.954 K(o=0.95,f=-4!) USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 36 TYR OH : rot 18:sc= 0.599 USER MOD Single : A 38 ASN : amide:sc= -0.0736 K(o=-0.074,f=-7.2!) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc=-0.00169 (180deg=-0.164) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.88 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.661 K(o=-0.66,f=-2.4!) USER MOD Single : A 63 GLN : amide:sc= -0.191 K(o=-0.19,f=-3.7!) USER MOD Single : A 66 ASN : amide:sc= 0.6 K(o=0.6,f=-8.8!) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 30:sc= -5.88! USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.264) USER MOD Single : A 89 TYR OH : rot 87:sc= 0.434 USER MOD Single : A 92 SER OG : rot 180:sc= -1.23 USER MOD Single : A 95 MET CE :methyl 133:sc= -0.0661 (180deg=-0.389) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 172:sc= -0.0138 (180deg=-0.109) USER MOD Single : A 102 MET CE :methyl -114:sc= -0.767 (180deg=-1.74) USER MOD Single : A 108 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.8!) USER MOD Single : A 112 LYS NZ :NH3+ -167:sc= -0.0328 (180deg=-0.212) USER MOD Single : A 115 SER OG : rot 90:sc= -0.0427 USER MOD ----------------------------------------------------------------- ATOM 47 N LYS A 5 16.267 3.557 7.750 1.00 3.56 N ATOM 48 CA LYS A 5 14.917 3.649 8.264 1.00 3.21 C ATOM 49 C LYS A 5 14.119 2.410 7.877 1.00 2.60 C ATOM 50 O LYS A 5 14.216 1.940 6.749 1.00 2.48 O ATOM 51 CB LYS A 5 14.259 4.876 7.678 1.00 3.31 C ATOM 52 CG LYS A 5 12.740 4.909 7.784 1.00 3.91 C ATOM 53 CD LYS A 5 12.249 5.599 9.054 1.00 4.47 C ATOM 54 CE LYS A 5 12.596 4.820 10.313 1.00 5.34 C ATOM 55 NZ LYS A 5 12.037 5.459 11.531 1.00 5.99 N ATOM 0 HA LYS A 5 14.946 3.719 9.351 1.00 3.21 H new ATOM 0 HB2 LYS A 5 14.661 5.758 8.176 1.00 3.31 H new ATOM 0 HB3 LYS A 5 14.536 4.950 6.626 1.00 3.31 H new ATOM 0 HG2 LYS A 5 12.331 5.424 6.915 1.00 3.91 H new ATOM 0 HG3 LYS A 5 12.357 3.889 7.759 1.00 3.91 H new ATOM 0 HD2 LYS A 5 12.687 6.595 9.115 1.00 4.47 H new ATOM 0 HD3 LYS A 5 11.168 5.729 8.998 1.00 4.47 H new ATOM 0 HE2 LYS A 5 12.213 3.803 10.228 1.00 5.34 H new ATOM 0 HE3 LYS A 5 13.679 4.745 10.407 1.00 5.34 H new ATOM 0 HZ1 LYS A 5 12.296 4.898 12.367 1.00 5.99 H new ATOM 0 HZ2 LYS A 5 12.422 6.420 11.627 1.00 5.99 H new ATOM 0 HZ3 LYS A 5 11.001 5.507 11.453 1.00 5.99 H new ATOM 69 N GLU A 6 13.350 1.863 8.797 1.00 2.54 N ATOM 70 CA GLU A 6 12.418 0.815 8.432 1.00 2.10 C ATOM 71 C GLU A 6 11.373 1.393 7.501 1.00 1.84 C ATOM 72 O GLU A 6 10.570 2.237 7.903 1.00 2.27 O ATOM 73 CB GLU A 6 11.755 0.222 9.659 1.00 2.49 C ATOM 74 CG GLU A 6 12.750 -0.179 10.715 1.00 2.96 C ATOM 75 CD GLU A 6 12.090 -0.771 11.942 1.00 3.57 C ATOM 76 OE1 GLU A 6 11.929 -2.007 11.994 1.00 4.01 O ATOM 77 OE2 GLU A 6 11.729 -0.008 12.859 1.00 3.94 O ATOM 0 H GLU A 6 13.350 2.120 9.784 1.00 2.54 H new ATOM 0 HA GLU A 6 12.962 0.014 7.931 1.00 2.10 H new ATOM 0 HB2 GLU A 6 11.058 0.948 10.078 1.00 2.49 H new ATOM 0 HB3 GLU A 6 11.170 -0.650 9.366 1.00 2.49 H new ATOM 0 HG2 GLU A 6 13.446 -0.905 10.296 1.00 2.96 H new ATOM 0 HG3 GLU A 6 13.336 0.693 11.007 1.00 2.96 H new ATOM 84 N ILE A 7 11.402 0.956 6.258 1.00 1.34 N ATOM 85 CA ILE A 7 10.537 1.518 5.240 1.00 1.10 C ATOM 86 C ILE A 7 9.126 1.001 5.407 1.00 0.99 C ATOM 87 O ILE A 7 8.883 -0.206 5.408 1.00 1.30 O ATOM 88 CB ILE A 7 11.065 1.203 3.823 1.00 1.29 C ATOM 89 CG1 ILE A 7 12.405 1.873 3.585 1.00 1.73 C ATOM 90 CG2 ILE A 7 10.104 1.619 2.737 1.00 1.29 C ATOM 91 CD1 ILE A 7 12.621 3.117 4.395 1.00 2.00 C ATOM 0 H ILE A 7 12.017 0.212 5.928 1.00 1.34 H new ATOM 0 HA ILE A 7 10.531 2.601 5.361 1.00 1.10 H new ATOM 0 HB ILE A 7 11.177 0.120 3.775 1.00 1.29 H new ATOM 0 HG12 ILE A 7 13.200 1.162 3.812 1.00 1.73 H new ATOM 0 HG13 ILE A 7 12.492 2.122 2.527 1.00 1.73 H new ATOM 0 HG21 ILE A 7 10.527 1.373 1.763 1.00 1.29 H new ATOM 0 HG22 ILE A 7 9.159 1.091 2.866 1.00 1.29 H new ATOM 0 HG23 ILE A 7 9.930 2.693 2.797 1.00 1.29 H new ATOM 0 HD11 ILE A 7 13.602 3.534 4.166 1.00 2.00 H new ATOM 0 HD12 ILE A 7 11.850 3.848 4.152 1.00 2.00 H new ATOM 0 HD13 ILE A 7 12.569 2.874 5.456 1.00 2.00 H new ATOM 103 N GLU A 8 8.209 1.933 5.571 1.00 0.87 N ATOM 104 CA GLU A 8 6.832 1.606 5.861 1.00 0.93 C ATOM 105 C GLU A 8 5.945 1.892 4.666 1.00 0.86 C ATOM 106 O GLU A 8 6.105 2.911 3.988 1.00 1.29 O ATOM 107 CB GLU A 8 6.335 2.417 7.057 1.00 1.41 C ATOM 108 CG GLU A 8 7.097 2.164 8.344 1.00 1.71 C ATOM 109 CD GLU A 8 6.660 3.090 9.456 1.00 2.31 C ATOM 110 OE1 GLU A 8 5.731 2.735 10.210 1.00 2.70 O ATOM 111 OE2 GLU A 8 7.242 4.189 9.577 1.00 2.71 O ATOM 0 H GLU A 8 8.398 2.933 5.507 1.00 0.87 H new ATOM 0 HA GLU A 8 6.784 0.542 6.093 1.00 0.93 H new ATOM 0 HB2 GLU A 8 6.399 3.478 6.813 1.00 1.41 H new ATOM 0 HB3 GLU A 8 5.282 2.191 7.222 1.00 1.41 H new ATOM 0 HG2 GLU A 8 6.949 1.130 8.655 1.00 1.71 H new ATOM 0 HG3 GLU A 8 8.164 2.293 8.164 1.00 1.71 H new ATOM 118 N ILE A 9 5.012 0.994 4.422 1.00 0.65 N ATOM 119 CA ILE A 9 3.997 1.206 3.421 1.00 0.68 C ATOM 120 C ILE A 9 2.641 1.186 4.096 1.00 0.53 C ATOM 121 O ILE A 9 2.184 0.149 4.568 1.00 0.68 O ATOM 122 CB ILE A 9 4.028 0.177 2.265 1.00 0.91 C ATOM 123 CG1 ILE A 9 4.950 -1.012 2.553 1.00 0.93 C ATOM 124 CG2 ILE A 9 4.432 0.871 0.983 1.00 1.34 C ATOM 125 CD1 ILE A 9 6.117 -1.106 1.615 1.00 1.21 C ATOM 0 H ILE A 9 4.940 0.102 4.912 1.00 0.65 H new ATOM 0 HA ILE A 9 4.197 2.173 2.960 1.00 0.68 H new ATOM 0 HB ILE A 9 3.024 -0.234 2.162 1.00 0.91 H new ATOM 0 HG12 ILE A 9 5.321 -0.935 3.575 1.00 0.93 H new ATOM 0 HG13 ILE A 9 4.371 -1.933 2.493 1.00 0.93 H new ATOM 0 HG21 ILE A 9 4.454 0.147 0.169 1.00 1.34 H new ATOM 0 HG22 ILE A 9 3.712 1.656 0.751 1.00 1.34 H new ATOM 0 HG23 ILE A 9 5.422 1.311 1.104 1.00 1.34 H new ATOM 0 HD11 ILE A 9 6.726 -1.971 1.878 1.00 1.21 H new ATOM 0 HD12 ILE A 9 5.754 -1.215 0.593 1.00 1.21 H new ATOM 0 HD13 ILE A 9 6.719 -0.201 1.692 1.00 1.21 H new ATOM 137 N VAL A 10 2.020 2.344 4.174 1.00 0.51 N ATOM 138 CA VAL A 10 0.759 2.476 4.880 1.00 0.46 C ATOM 139 C VAL A 10 -0.402 2.188 3.948 1.00 0.41 C ATOM 140 O VAL A 10 -0.466 2.695 2.827 1.00 0.44 O ATOM 141 CB VAL A 10 0.599 3.863 5.552 1.00 0.61 C ATOM 142 CG1 VAL A 10 1.704 4.818 5.130 1.00 0.92 C ATOM 143 CG2 VAL A 10 -0.765 4.453 5.249 1.00 0.77 C ATOM 0 H VAL A 10 2.366 3.209 3.758 1.00 0.51 H new ATOM 0 HA VAL A 10 0.759 1.738 5.682 1.00 0.46 H new ATOM 0 HB VAL A 10 0.681 3.719 6.629 1.00 0.61 H new ATOM 0 HG11 VAL A 10 1.560 5.781 5.620 1.00 0.92 H new ATOM 0 HG12 VAL A 10 2.671 4.405 5.418 1.00 0.92 H new ATOM 0 HG13 VAL A 10 1.674 4.954 4.049 1.00 0.92 H new ATOM 0 HG21 VAL A 10 -0.855 5.427 5.731 1.00 0.77 H new ATOM 0 HG22 VAL A 10 -0.880 4.569 4.171 1.00 0.77 H new ATOM 0 HG23 VAL A 10 -1.541 3.788 5.627 1.00 0.77 H new ATOM 153 N ILE A 11 -1.292 1.333 4.415 1.00 0.40 N ATOM 154 CA ILE A 11 -2.483 0.989 3.686 1.00 0.40 C ATOM 155 C ILE A 11 -3.689 1.539 4.422 1.00 0.44 C ATOM 156 O ILE A 11 -4.074 1.041 5.480 1.00 0.50 O ATOM 157 CB ILE A 11 -2.616 -0.538 3.535 1.00 0.47 C ATOM 158 CG1 ILE A 11 -1.323 -1.119 3.004 1.00 0.58 C ATOM 159 CG2 ILE A 11 -3.756 -0.883 2.599 1.00 0.53 C ATOM 160 CD1 ILE A 11 -0.986 -0.544 1.671 1.00 0.59 C ATOM 0 H ILE A 11 -1.203 0.860 5.314 1.00 0.40 H new ATOM 0 HA ILE A 11 -2.423 1.424 2.688 1.00 0.40 H new ATOM 0 HB ILE A 11 -2.828 -0.966 4.515 1.00 0.47 H new ATOM 0 HG12 ILE A 11 -0.514 -0.917 3.706 1.00 0.58 H new ATOM 0 HG13 ILE A 11 -1.413 -2.202 2.924 1.00 0.58 H new ATOM 0 HG21 ILE A 11 -3.834 -1.966 2.505 1.00 0.53 H new ATOM 0 HG22 ILE A 11 -4.689 -0.485 2.999 1.00 0.53 H new ATOM 0 HG23 ILE A 11 -3.567 -0.446 1.618 1.00 0.53 H new ATOM 0 HD11 ILE A 11 -0.053 -0.979 1.313 1.00 0.59 H new ATOM 0 HD12 ILE A 11 -1.786 -0.769 0.965 1.00 0.59 H new ATOM 0 HD13 ILE A 11 -0.873 0.537 1.759 1.00 0.59 H new ATOM 172 N LYS A 12 -4.249 2.594 3.879 1.00 0.46 N ATOM 173 CA LYS A 12 -5.360 3.272 4.518 1.00 0.52 C ATOM 174 C LYS A 12 -6.659 3.013 3.780 1.00 0.50 C ATOM 175 O LYS A 12 -6.676 2.443 2.690 1.00 0.62 O ATOM 176 CB LYS A 12 -5.136 4.781 4.559 1.00 0.55 C ATOM 177 CG LYS A 12 -5.589 5.400 5.861 1.00 0.72 C ATOM 178 CD LYS A 12 -5.557 6.918 5.819 1.00 1.32 C ATOM 179 CE LYS A 12 -4.155 7.446 5.582 1.00 1.65 C ATOM 180 NZ LYS A 12 -4.103 8.930 5.609 1.00 2.08 N ATOM 0 H LYS A 12 -3.955 3.005 2.993 1.00 0.46 H new ATOM 0 HA LYS A 12 -5.423 2.877 5.532 1.00 0.52 H new ATOM 0 HB2 LYS A 12 -4.077 4.992 4.410 1.00 0.55 H new ATOM 0 HB3 LYS A 12 -5.673 5.247 3.733 1.00 0.55 H new ATOM 0 HG2 LYS A 12 -6.602 5.066 6.087 1.00 0.72 H new ATOM 0 HG3 LYS A 12 -4.950 5.047 6.670 1.00 0.72 H new ATOM 0 HD2 LYS A 12 -6.218 7.274 5.028 1.00 1.32 H new ATOM 0 HD3 LYS A 12 -5.941 7.316 6.758 1.00 1.32 H new ATOM 0 HE2 LYS A 12 -3.485 7.047 6.343 1.00 1.65 H new ATOM 0 HE3 LYS A 12 -3.792 7.089 4.618 1.00 1.65 H new ATOM 0 HZ1 LYS A 12 -3.126 9.246 5.443 1.00 2.08 H new ATOM 0 HZ2 LYS A 12 -4.722 9.313 4.866 1.00 2.08 H new ATOM 0 HZ3 LYS A 12 -4.424 9.272 6.537 1.00 2.08 H new ATOM 194 N ASN A 13 -7.737 3.444 4.393 1.00 0.55 N ATOM 195 CA ASN A 13 -9.032 3.518 3.753 1.00 0.59 C ATOM 196 C ASN A 13 -9.775 4.661 4.399 1.00 0.58 C ATOM 197 O ASN A 13 -9.698 4.837 5.607 1.00 0.95 O ATOM 198 CB ASN A 13 -9.789 2.196 3.897 1.00 1.01 C ATOM 199 CG ASN A 13 -11.147 2.179 3.211 1.00 2.06 C ATOM 200 OD1 ASN A 13 -11.836 3.188 3.108 1.00 2.81 O ATOM 201 ND2 ASN A 13 -11.540 1.016 2.726 1.00 2.71 N ATOM 0 H ASN A 13 -7.740 3.758 5.364 1.00 0.55 H new ATOM 0 HA ASN A 13 -8.930 3.693 2.682 1.00 0.59 H new ATOM 0 HB2 ASN A 13 -9.177 1.393 3.487 1.00 1.01 H new ATOM 0 HB3 ASN A 13 -9.927 1.982 4.957 1.00 1.01 H new ATOM 0 HD21 ASN A 13 -12.439 0.939 2.250 1.00 2.71 H new ATOM 0 HD22 ASN A 13 -10.945 0.194 2.827 1.00 2.71 H new ATOM 208 N THR A 14 -10.430 5.473 3.597 1.00 0.47 N ATOM 209 CA THR A 14 -11.099 6.647 4.106 1.00 0.74 C ATOM 210 C THR A 14 -12.023 7.283 3.063 1.00 0.54 C ATOM 211 O THR A 14 -11.687 8.293 2.445 1.00 0.70 O ATOM 212 CB THR A 14 -10.069 7.670 4.616 1.00 1.38 C ATOM 213 OG1 THR A 14 -10.678 8.930 4.921 1.00 1.79 O ATOM 214 CG2 THR A 14 -9.023 7.854 3.569 1.00 1.78 C ATOM 0 H THR A 14 -10.513 5.340 2.589 1.00 0.47 H new ATOM 0 HA THR A 14 -11.727 6.330 4.939 1.00 0.74 H new ATOM 0 HB THR A 14 -9.627 7.290 5.537 1.00 1.38 H new ATOM 0 HG1 THR A 14 -11.154 8.865 5.775 1.00 1.79 H new ATOM 0 HG21 THR A 14 -8.285 8.577 3.916 1.00 1.78 H new ATOM 0 HG22 THR A 14 -8.533 6.900 3.373 1.00 1.78 H new ATOM 0 HG23 THR A 14 -9.486 8.219 2.652 1.00 1.78 H new ATOM 222 N LEU A 15 -13.169 6.662 2.810 1.00 0.49 N ATOM 223 CA LEU A 15 -14.195 7.324 2.039 1.00 0.68 C ATOM 224 C LEU A 15 -15.047 8.113 3.012 1.00 0.84 C ATOM 225 O LEU A 15 -15.486 9.229 2.746 1.00 1.18 O ATOM 226 CB LEU A 15 -15.109 6.370 1.239 1.00 0.88 C ATOM 227 CG LEU A 15 -14.425 5.453 0.234 1.00 0.97 C ATOM 228 CD1 LEU A 15 -13.257 4.812 0.856 1.00 0.90 C ATOM 229 CD2 LEU A 15 -15.388 4.422 -0.325 1.00 1.39 C ATOM 0 H LEU A 15 -13.402 5.720 3.123 1.00 0.49 H new ATOM 0 HA LEU A 15 -13.696 7.949 1.298 1.00 0.68 H new ATOM 0 HB2 LEU A 15 -15.657 5.750 1.948 1.00 0.88 H new ATOM 0 HB3 LEU A 15 -15.845 6.971 0.705 1.00 0.88 H new ATOM 0 HG LEU A 15 -14.084 6.057 -0.607 1.00 0.97 H new ATOM 0 HD11 LEU A 15 -12.772 4.157 0.132 1.00 0.90 H new ATOM 0 HD12 LEU A 15 -12.552 5.577 1.182 1.00 0.90 H new ATOM 0 HD13 LEU A 15 -13.579 4.225 1.716 1.00 0.90 H new ATOM 0 HD21 LEU A 15 -14.865 3.785 -1.039 1.00 1.39 H new ATOM 0 HD22 LEU A 15 -15.779 3.811 0.488 1.00 1.39 H new ATOM 0 HD23 LEU A 15 -16.212 4.929 -0.827 1.00 1.39 H new ATOM 241 N GLY A 16 -15.255 7.479 4.158 1.00 0.72 N ATOM 242 CA GLY A 16 -16.008 8.044 5.247 1.00 0.87 C ATOM 243 C GLY A 16 -16.355 6.962 6.253 1.00 0.77 C ATOM 244 O GLY A 16 -15.765 5.890 6.196 1.00 1.27 O ATOM 0 H GLY A 16 -14.896 6.544 4.351 1.00 0.72 H new ATOM 0 HA2 GLY A 16 -15.429 8.830 5.731 1.00 0.87 H new ATOM 0 HA3 GLY A 16 -16.920 8.506 4.869 1.00 0.87 H new ATOM 248 N PRO A 17 -17.310 7.195 7.163 1.00 0.67 N ATOM 249 CA PRO A 17 -17.617 6.272 8.271 1.00 0.76 C ATOM 250 C PRO A 17 -17.692 4.790 7.864 1.00 0.88 C ATOM 251 O PRO A 17 -18.334 4.433 6.872 1.00 1.27 O ATOM 252 CB PRO A 17 -18.987 6.751 8.779 1.00 1.02 C ATOM 253 CG PRO A 17 -19.424 7.838 7.849 1.00 1.42 C ATOM 254 CD PRO A 17 -18.181 8.371 7.200 1.00 1.13 C ATOM 0 HA PRO A 17 -16.822 6.300 9.016 1.00 0.76 H new ATOM 0 HB2 PRO A 17 -19.707 5.933 8.786 1.00 1.02 H new ATOM 0 HB3 PRO A 17 -18.915 7.120 9.802 1.00 1.02 H new ATOM 0 HG2 PRO A 17 -20.117 7.453 7.101 1.00 1.42 H new ATOM 0 HG3 PRO A 17 -19.946 8.626 8.392 1.00 1.42 H new ATOM 0 HD2 PRO A 17 -18.380 8.759 6.201 1.00 1.13 H new ATOM 0 HD3 PRO A 17 -17.740 9.184 7.776 1.00 1.13 H new ATOM 262 N SER A 18 -16.998 3.949 8.641 1.00 1.06 N ATOM 263 CA SER A 18 -17.021 2.486 8.492 1.00 1.31 C ATOM 264 C SER A 18 -16.585 2.032 7.103 1.00 1.10 C ATOM 265 O SER A 18 -17.123 1.070 6.547 1.00 1.50 O ATOM 266 CB SER A 18 -18.413 1.949 8.821 1.00 1.75 C ATOM 267 OG SER A 18 -18.811 2.350 10.122 1.00 2.18 O ATOM 0 H SER A 18 -16.397 4.268 9.401 1.00 1.06 H new ATOM 0 HA SER A 18 -16.298 2.076 9.197 1.00 1.31 H new ATOM 0 HB2 SER A 18 -19.132 2.314 8.087 1.00 1.75 H new ATOM 0 HB3 SER A 18 -18.414 0.861 8.754 1.00 1.75 H new ATOM 0 HG SER A 18 -19.705 1.998 10.314 1.00 2.18 H new ATOM 273 N ARG A 19 -15.606 2.719 6.552 1.00 0.81 N ATOM 274 CA ARG A 19 -15.011 2.317 5.297 1.00 0.66 C ATOM 275 C ARG A 19 -13.901 1.318 5.539 1.00 0.64 C ATOM 276 O ARG A 19 -12.871 1.658 6.113 1.00 1.02 O ATOM 277 CB ARG A 19 -14.456 3.526 4.563 1.00 0.68 C ATOM 278 CG ARG A 19 -15.337 4.040 3.460 1.00 1.15 C ATOM 279 CD ARG A 19 -16.766 4.269 3.939 1.00 1.94 C ATOM 280 NE ARG A 19 -17.598 4.931 2.935 1.00 2.51 N ATOM 281 CZ ARG A 19 -18.691 5.641 3.222 1.00 3.32 C ATOM 282 NH1 ARG A 19 -19.120 5.734 4.478 1.00 3.76 N ATOM 283 NH2 ARG A 19 -19.365 6.240 2.248 1.00 3.99 N ATOM 0 H ARG A 19 -15.204 3.564 6.958 1.00 0.81 H new ATOM 0 HA ARG A 19 -15.784 1.852 4.685 1.00 0.66 H new ATOM 0 HB2 ARG A 19 -14.290 4.328 5.282 1.00 0.68 H new ATOM 0 HB3 ARG A 19 -13.484 3.267 4.144 1.00 0.68 H new ATOM 0 HG2 ARG A 19 -14.929 4.974 3.074 1.00 1.15 H new ATOM 0 HG3 ARG A 19 -15.340 3.328 2.635 1.00 1.15 H new ATOM 0 HD2 ARG A 19 -17.215 3.311 4.202 1.00 1.94 H new ATOM 0 HD3 ARG A 19 -16.748 4.873 4.846 1.00 1.94 H new ATOM 0 HE ARG A 19 -17.326 4.845 1.956 1.00 2.51 H new ATOM 0 HH11 ARG A 19 -18.613 5.262 5.226 1.00 3.76 H new ATOM 0 HH12 ARG A 19 -19.956 6.278 4.692 1.00 3.76 H new ATOM 0 HH21 ARG A 19 -19.047 6.157 1.282 1.00 3.99 H new ATOM 0 HH22 ARG A 19 -20.201 6.783 2.465 1.00 3.99 H new ATOM 297 N ILE A 20 -14.117 0.087 5.114 1.00 0.52 N ATOM 298 CA ILE A 20 -13.093 -0.931 5.246 1.00 0.51 C ATOM 299 C ILE A 20 -12.901 -1.663 3.940 1.00 0.54 C ATOM 300 O ILE A 20 -13.832 -1.888 3.170 1.00 0.76 O ATOM 301 CB ILE A 20 -13.374 -1.993 6.336 1.00 0.65 C ATOM 302 CG1 ILE A 20 -14.265 -1.434 7.430 1.00 0.78 C ATOM 303 CG2 ILE A 20 -12.057 -2.485 6.933 1.00 0.72 C ATOM 304 CD1 ILE A 20 -13.525 -0.696 8.495 1.00 0.83 C ATOM 0 H ILE A 20 -14.983 -0.230 4.679 1.00 0.52 H new ATOM 0 HA ILE A 20 -12.200 -0.380 5.542 1.00 0.51 H new ATOM 0 HB ILE A 20 -13.896 -2.829 5.871 1.00 0.65 H new ATOM 0 HG12 ILE A 20 -14.999 -0.765 6.981 1.00 0.78 H new ATOM 0 HG13 ILE A 20 -14.819 -2.253 7.888 1.00 0.78 H new ATOM 0 HG21 ILE A 20 -12.262 -3.232 7.700 1.00 0.72 H new ATOM 0 HG22 ILE A 20 -11.445 -2.929 6.148 1.00 0.72 H new ATOM 0 HG23 ILE A 20 -11.523 -1.645 7.378 1.00 0.72 H new ATOM 0 HD11 ILE A 20 -14.231 -0.327 9.240 1.00 0.83 H new ATOM 0 HD12 ILE A 20 -12.810 -1.366 8.973 1.00 0.83 H new ATOM 0 HD13 ILE A 20 -12.993 0.146 8.052 1.00 0.83 H new ATOM 316 N LEU A 21 -11.670 -2.006 3.731 1.00 0.50 N ATOM 317 CA LEU A 21 -11.212 -2.854 2.631 1.00 0.55 C ATOM 318 C LEU A 21 -10.425 -3.935 3.321 1.00 0.52 C ATOM 319 O LEU A 21 -10.595 -4.040 4.516 1.00 0.75 O ATOM 320 CB LEU A 21 -10.421 -2.066 1.567 1.00 0.72 C ATOM 321 CG LEU A 21 -11.315 -1.253 0.620 1.00 1.39 C ATOM 322 CD1 LEU A 21 -10.524 -0.717 -0.552 1.00 2.23 C ATOM 323 CD2 LEU A 21 -12.480 -2.092 0.118 1.00 2.20 C ATOM 0 H LEU A 21 -10.909 -1.700 4.338 1.00 0.50 H new ATOM 0 HA LEU A 21 -12.028 -3.274 2.043 1.00 0.55 H new ATOM 0 HB2 LEU A 21 -9.726 -1.391 2.067 1.00 0.72 H new ATOM 0 HB3 LEU A 21 -9.822 -2.763 0.980 1.00 0.72 H new ATOM 0 HG LEU A 21 -11.709 -0.409 1.187 1.00 1.39 H new ATOM 0 HD11 LEU A 21 -11.183 -0.146 -1.205 1.00 2.23 H new ATOM 0 HD12 LEU A 21 -9.726 -0.071 -0.187 1.00 2.23 H new ATOM 0 HD13 LEU A 21 -10.092 -1.548 -1.110 1.00 2.23 H new ATOM 0 HD21 LEU A 21 -13.098 -1.493 -0.551 1.00 2.20 H new ATOM 0 HD22 LEU A 21 -12.098 -2.960 -0.420 1.00 2.20 H new ATOM 0 HD23 LEU A 21 -13.080 -2.425 0.965 1.00 2.20 H new ATOM 335 N GLN A 22 -9.827 -4.885 2.648 1.00 0.47 N ATOM 336 CA GLN A 22 -8.833 -5.702 3.317 1.00 0.47 C ATOM 337 C GLN A 22 -7.675 -5.975 2.358 1.00 0.42 C ATOM 338 O GLN A 22 -7.877 -6.563 1.300 1.00 0.51 O ATOM 339 CB GLN A 22 -9.469 -7.001 3.774 1.00 0.60 C ATOM 340 CG GLN A 22 -8.540 -7.800 4.632 1.00 0.71 C ATOM 341 CD GLN A 22 -8.898 -9.276 4.685 1.00 0.97 C ATOM 342 OE1 GLN A 22 -9.440 -9.803 3.595 1.00 1.69 O flip ATOM 343 NE2 GLN A 22 -8.682 -9.939 5.697 1.00 1.34 N flip ATOM 0 H GLN A 22 -9.999 -5.112 1.669 1.00 0.47 H new ATOM 0 HA GLN A 22 -8.448 -5.178 4.192 1.00 0.47 H new ATOM 0 HB2 GLN A 22 -10.381 -6.784 4.330 1.00 0.60 H new ATOM 0 HB3 GLN A 22 -9.758 -7.590 2.904 1.00 0.60 H new ATOM 0 HG2 GLN A 22 -7.523 -7.692 4.254 1.00 0.71 H new ATOM 0 HG3 GLN A 22 -8.549 -7.394 5.643 1.00 0.71 H new ATOM 0 HE21 GLN A 22 -8.263 -9.498 6.516 1.00 1.34 H new ATOM 0 HE22 GLN A 22 -8.921 -10.930 5.718 1.00 1.34 H new ATOM 352 N TYR A 23 -6.463 -5.543 2.710 1.00 0.42 N ATOM 353 CA TYR A 23 -5.341 -5.649 1.785 1.00 0.42 C ATOM 354 C TYR A 23 -4.472 -6.851 2.100 1.00 0.41 C ATOM 355 O TYR A 23 -4.329 -7.260 3.252 1.00 0.49 O ATOM 356 CB TYR A 23 -4.462 -4.395 1.786 1.00 0.52 C ATOM 357 CG TYR A 23 -3.479 -4.348 2.930 1.00 0.50 C ATOM 358 CD1 TYR A 23 -3.896 -3.962 4.186 1.00 0.54 C ATOM 359 CD2 TYR A 23 -2.148 -4.665 2.753 1.00 0.58 C ATOM 360 CE1 TYR A 23 -3.011 -3.892 5.245 1.00 0.61 C ATOM 361 CE2 TYR A 23 -1.254 -4.603 3.800 1.00 0.63 C ATOM 362 CZ TYR A 23 -1.654 -4.305 5.020 1.00 0.63 C ATOM 363 OH TYR A 23 -0.801 -4.149 6.095 1.00 0.74 O ATOM 0 H TYR A 23 -6.238 -5.124 3.613 1.00 0.42 H new ATOM 0 HA TYR A 23 -5.784 -5.765 0.796 1.00 0.42 H new ATOM 0 HB2 TYR A 23 -3.914 -4.344 0.845 1.00 0.52 H new ATOM 0 HB3 TYR A 23 -5.101 -3.513 1.831 1.00 0.52 H new ATOM 0 HD1 TYR A 23 -4.934 -3.710 4.345 1.00 0.54 H new ATOM 0 HD2 TYR A 23 -1.800 -4.967 1.776 1.00 0.58 H new ATOM 0 HE1 TYR A 23 -3.330 -3.537 6.214 1.00 0.61 H new ATOM 0 HE2 TYR A 23 -0.208 -4.802 3.618 1.00 0.63 H new ATOM 0 HH TYR A 23 0.096 -4.457 5.848 1.00 0.74 H new ATOM 373 N HIS A 24 -3.904 -7.406 1.052 1.00 0.50 N ATOM 374 CA HIS A 24 -2.862 -8.395 1.169 1.00 0.57 C ATOM 375 C HIS A 24 -1.586 -7.840 0.582 1.00 0.60 C ATOM 376 O HIS A 24 -1.488 -7.677 -0.627 1.00 0.58 O ATOM 377 CB HIS A 24 -3.226 -9.673 0.421 1.00 0.61 C ATOM 378 CG HIS A 24 -2.122 -10.688 0.443 1.00 0.71 C ATOM 379 ND1 HIS A 24 -1.153 -10.704 1.423 1.00 0.75 N ATOM 380 CD2 HIS A 24 -1.811 -11.690 -0.411 1.00 0.85 C ATOM 381 CE1 HIS A 24 -0.290 -11.670 1.166 1.00 0.88 C ATOM 382 NE2 HIS A 24 -0.667 -12.286 0.061 1.00 0.94 N ATOM 0 H HIS A 24 -4.156 -7.180 0.090 1.00 0.50 H new ATOM 0 HA HIS A 24 -2.734 -8.632 2.225 1.00 0.57 H new ATOM 0 HB2 HIS A 24 -4.122 -10.107 0.865 1.00 0.61 H new ATOM 0 HB3 HIS A 24 -3.469 -9.428 -0.613 1.00 0.61 H new ATOM 0 HD1 HIS A 24 -1.109 -10.070 2.221 1.00 0.75 H new ATOM 0 HD2 HIS A 24 -2.360 -11.969 -1.298 1.00 0.85 H new ATOM 0 HE1 HIS A 24 0.578 -11.915 1.760 1.00 0.88 H new ATOM 391 N CYS A 25 -0.612 -7.555 1.415 1.00 0.71 N ATOM 392 CA CYS A 25 0.644 -7.071 0.897 1.00 0.74 C ATOM 393 C CYS A 25 1.779 -7.974 1.328 1.00 0.91 C ATOM 394 O CYS A 25 1.705 -8.630 2.371 1.00 1.01 O ATOM 395 CB CYS A 25 0.897 -5.634 1.334 1.00 0.79 C ATOM 396 SG CYS A 25 1.838 -4.651 0.127 1.00 1.12 S ATOM 0 H CYS A 25 -0.662 -7.647 2.430 1.00 0.71 H new ATOM 0 HA CYS A 25 0.591 -7.084 -0.192 1.00 0.74 H new ATOM 0 HB2 CYS A 25 -0.061 -5.146 1.517 1.00 0.79 H new ATOM 0 HB3 CYS A 25 1.437 -5.642 2.281 1.00 0.79 H new ATOM 401 N ARG A 26 2.808 -8.037 0.504 1.00 1.14 N ATOM 402 CA ARG A 26 3.939 -8.904 0.769 1.00 1.38 C ATOM 403 C ARG A 26 5.198 -8.345 0.133 1.00 1.87 C ATOM 404 O ARG A 26 5.130 -7.606 -0.849 1.00 2.24 O ATOM 405 CB ARG A 26 3.661 -10.314 0.241 1.00 1.45 C ATOM 406 CG ARG A 26 3.489 -10.383 -1.267 1.00 2.13 C ATOM 407 CD ARG A 26 3.256 -11.809 -1.732 1.00 2.66 C ATOM 408 NE ARG A 26 4.307 -12.714 -1.264 1.00 3.26 N ATOM 409 CZ ARG A 26 5.313 -13.144 -2.025 1.00 4.00 C ATOM 410 NH1 ARG A 26 5.429 -12.724 -3.279 1.00 4.21 N ATOM 411 NH2 ARG A 26 6.213 -13.985 -1.526 1.00 4.86 N ATOM 0 H ARG A 26 2.883 -7.496 -0.357 1.00 1.14 H new ATOM 0 HA ARG A 26 4.089 -8.956 1.847 1.00 1.38 H new ATOM 0 HB2 ARG A 26 4.481 -10.969 0.534 1.00 1.45 H new ATOM 0 HB3 ARG A 26 2.760 -10.699 0.718 1.00 1.45 H new ATOM 0 HG2 ARG A 26 2.648 -9.758 -1.568 1.00 2.13 H new ATOM 0 HG3 ARG A 26 4.376 -9.980 -1.755 1.00 2.13 H new ATOM 0 HD2 ARG A 26 2.289 -12.156 -1.368 1.00 2.66 H new ATOM 0 HD3 ARG A 26 3.214 -11.834 -2.821 1.00 2.66 H new ATOM 0 HE ARG A 26 4.267 -13.035 -0.297 1.00 3.26 H new ATOM 0 HH11 ARG A 26 4.747 -12.070 -3.663 1.00 4.21 H new ATOM 0 HH12 ARG A 26 6.200 -13.055 -3.858 1.00 4.21 H new ATOM 0 HH21 ARG A 26 6.134 -14.302 -0.560 1.00 4.86 H new ATOM 0 HH22 ARG A 26 6.983 -14.314 -2.109 1.00 4.86 H new ATOM 425 N SER A 27 6.331 -8.684 0.716 1.00 2.10 N ATOM 426 CA SER A 27 7.623 -8.359 0.149 1.00 2.66 C ATOM 427 C SER A 27 8.131 -9.563 -0.626 1.00 2.39 C ATOM 428 O SER A 27 7.652 -10.683 -0.426 1.00 2.70 O ATOM 429 CB SER A 27 8.610 -7.999 1.266 1.00 3.73 C ATOM 430 OG SER A 27 9.885 -7.645 0.755 1.00 4.43 O ATOM 0 H SER A 27 6.381 -9.194 1.598 1.00 2.10 H new ATOM 0 HA SER A 27 7.529 -7.503 -0.519 1.00 2.66 H new ATOM 0 HB2 SER A 27 8.210 -7.170 1.850 1.00 3.73 H new ATOM 0 HB3 SER A 27 8.714 -8.845 1.945 1.00 3.73 H new ATOM 0 HG SER A 27 9.800 -6.854 0.182 1.00 4.43 H new ATOM 436 N GLY A 28 9.101 -9.337 -1.498 1.00 2.45 N ATOM 437 CA GLY A 28 9.692 -10.420 -2.250 1.00 2.54 C ATOM 438 C GLY A 28 10.661 -11.216 -1.412 1.00 2.68 C ATOM 439 O GLY A 28 11.811 -11.423 -1.803 1.00 3.22 O ATOM 0 H GLY A 28 9.491 -8.416 -1.698 1.00 2.45 H new ATOM 0 HA2 GLY A 28 8.906 -11.078 -2.621 1.00 2.54 H new ATOM 0 HA3 GLY A 28 10.209 -10.018 -3.122 1.00 2.54 H new ATOM 443 N ASN A 29 10.164 -11.673 -0.271 1.00 2.60 N ATOM 444 CA ASN A 29 10.978 -12.308 0.762 1.00 2.96 C ATOM 445 C ASN A 29 10.156 -12.489 2.032 1.00 2.76 C ATOM 446 O ASN A 29 10.179 -13.547 2.661 1.00 3.04 O ATOM 447 CB ASN A 29 12.209 -11.448 1.087 1.00 3.49 C ATOM 448 CG ASN A 29 13.150 -12.102 2.087 1.00 4.17 C ATOM 449 OD1 ASN A 29 14.066 -12.827 1.705 1.00 4.66 O ATOM 450 ND2 ASN A 29 12.943 -11.838 3.369 1.00 4.63 N ATOM 0 H ASN A 29 9.174 -11.614 -0.032 1.00 2.60 H new ATOM 0 HA ASN A 29 11.305 -13.278 0.388 1.00 2.96 H new ATOM 0 HB2 ASN A 29 12.754 -11.243 0.166 1.00 3.49 H new ATOM 0 HB3 ASN A 29 11.879 -10.488 1.483 1.00 3.49 H new ATOM 0 HD21 ASN A 29 13.555 -12.242 4.078 1.00 4.63 H new ATOM 0 HD22 ASN A 29 12.172 -11.231 3.647 1.00 4.63 H new ATOM 457 N THR A 30 9.414 -11.447 2.386 1.00 2.45 N ATOM 458 CA THR A 30 8.713 -11.395 3.661 1.00 2.33 C ATOM 459 C THR A 30 7.231 -11.064 3.479 1.00 2.07 C ATOM 460 O THR A 30 6.882 -10.003 2.968 1.00 2.10 O ATOM 461 CB THR A 30 9.357 -10.337 4.569 1.00 2.45 C ATOM 462 OG1 THR A 30 10.756 -10.612 4.718 1.00 2.93 O ATOM 463 CG2 THR A 30 8.689 -10.297 5.937 1.00 2.70 C ATOM 0 H THR A 30 9.282 -10.621 1.802 1.00 2.45 H new ATOM 0 HA THR A 30 8.790 -12.381 4.119 1.00 2.33 H new ATOM 0 HB THR A 30 9.222 -9.362 4.100 1.00 2.45 H new ATOM 0 HG1 THR A 30 11.163 -9.934 5.297 1.00 2.93 H new ATOM 0 HG21 THR A 30 9.169 -9.538 6.554 1.00 2.70 H new ATOM 0 HG22 THR A 30 7.633 -10.054 5.819 1.00 2.70 H new ATOM 0 HG23 THR A 30 8.786 -11.270 6.418 1.00 2.70 H new ATOM 471 N ASN A 31 6.366 -11.974 3.897 1.00 1.97 N ATOM 472 CA ASN A 31 4.927 -11.738 3.849 1.00 1.75 C ATOM 473 C ASN A 31 4.477 -11.027 5.115 1.00 1.78 C ATOM 474 O ASN A 31 4.845 -11.424 6.221 1.00 2.34 O ATOM 475 CB ASN A 31 4.165 -13.057 3.698 1.00 2.09 C ATOM 476 CG ASN A 31 4.523 -13.789 2.424 1.00 2.43 C ATOM 477 OD1 ASN A 31 3.921 -13.565 1.373 1.00 2.89 O ATOM 478 ND2 ASN A 31 5.502 -14.674 2.506 1.00 2.98 N ATOM 0 H ASN A 31 6.632 -12.884 4.274 1.00 1.97 H new ATOM 0 HA ASN A 31 4.710 -11.111 2.984 1.00 1.75 H new ATOM 0 HB2 ASN A 31 4.380 -13.697 4.554 1.00 2.09 H new ATOM 0 HB3 ASN A 31 3.093 -12.857 3.710 1.00 2.09 H new ATOM 0 HD21 ASN A 31 5.784 -15.201 1.679 1.00 2.98 H new ATOM 0 HD22 ASN A 31 5.975 -14.830 3.396 1.00 2.98 H new ATOM 485 N VAL A 32 3.693 -9.969 4.956 1.00 1.39 N ATOM 486 CA VAL A 32 3.243 -9.190 6.099 1.00 1.52 C ATOM 487 C VAL A 32 1.885 -9.669 6.610 1.00 1.38 C ATOM 488 O VAL A 32 1.678 -9.767 7.821 1.00 2.10 O ATOM 489 CB VAL A 32 3.254 -7.682 5.827 1.00 2.13 C ATOM 490 CG1 VAL A 32 3.734 -7.427 4.435 1.00 2.68 C ATOM 491 CG2 VAL A 32 1.910 -7.081 6.105 1.00 2.64 C ATOM 0 H VAL A 32 3.358 -9.633 4.053 1.00 1.39 H new ATOM 0 HA VAL A 32 3.967 -9.361 6.895 1.00 1.52 H new ATOM 0 HB VAL A 32 3.950 -7.190 6.506 1.00 2.13 H new ATOM 0 HG11 VAL A 32 3.741 -6.354 4.243 1.00 2.68 H new ATOM 0 HG12 VAL A 32 4.743 -7.823 4.320 1.00 2.68 H new ATOM 0 HG13 VAL A 32 3.068 -7.918 3.725 1.00 2.68 H new ATOM 0 HG21 VAL A 32 1.942 -6.010 5.905 1.00 2.64 H new ATOM 0 HG22 VAL A 32 1.163 -7.548 5.463 1.00 2.64 H new ATOM 0 HG23 VAL A 32 1.646 -7.247 7.149 1.00 2.64 H new ATOM 501 N GLY A 33 0.967 -9.999 5.703 1.00 1.00 N ATOM 502 CA GLY A 33 -0.323 -10.454 6.124 1.00 1.43 C ATOM 503 C GLY A 33 -1.423 -9.949 5.232 1.00 0.99 C ATOM 504 O GLY A 33 -1.167 -9.396 4.151 1.00 1.13 O ATOM 0 H GLY A 33 1.104 -9.956 4.693 1.00 1.00 H new ATOM 0 HA2 GLY A 33 -0.337 -11.544 6.133 1.00 1.43 H new ATOM 0 HA3 GLY A 33 -0.507 -10.124 7.147 1.00 1.43 H new ATOM 508 N VAL A 34 -2.646 -10.155 5.678 1.00 0.80 N ATOM 509 CA VAL A 34 -3.826 -9.789 4.916 1.00 0.56 C ATOM 510 C VAL A 34 -4.927 -9.282 5.852 1.00 0.63 C ATOM 511 O VAL A 34 -5.753 -10.073 6.310 1.00 1.03 O ATOM 512 CB VAL A 34 -4.392 -10.990 4.148 1.00 0.89 C ATOM 513 CG1 VAL A 34 -5.487 -10.521 3.205 1.00 1.17 C ATOM 514 CG2 VAL A 34 -3.285 -11.710 3.405 1.00 1.06 C ATOM 0 H VAL A 34 -2.851 -10.582 6.581 1.00 0.80 H new ATOM 0 HA VAL A 34 -3.522 -9.012 4.215 1.00 0.56 H new ATOM 0 HB VAL A 34 -4.828 -11.700 4.851 1.00 0.89 H new ATOM 0 HG11 VAL A 34 -5.888 -11.375 2.660 1.00 1.17 H new ATOM 0 HG12 VAL A 34 -6.285 -10.050 3.779 1.00 1.17 H new ATOM 0 HG13 VAL A 34 -5.075 -9.801 2.498 1.00 1.17 H new ATOM 0 HG21 VAL A 34 -3.702 -12.560 2.865 1.00 1.06 H new ATOM 0 HG22 VAL A 34 -2.816 -11.025 2.698 1.00 1.06 H new ATOM 0 HG23 VAL A 34 -2.539 -12.063 4.117 1.00 1.06 H new ATOM 524 N GLN A 35 -4.952 -7.987 6.139 1.00 0.63 N ATOM 525 CA GLN A 35 -5.905 -7.439 7.110 1.00 0.85 C ATOM 526 C GLN A 35 -6.215 -6.002 6.883 1.00 0.70 C ATOM 527 O GLN A 35 -5.575 -5.331 6.086 1.00 0.82 O ATOM 528 CB GLN A 35 -5.404 -7.601 8.544 1.00 1.45 C ATOM 529 CG GLN A 35 -5.542 -8.995 9.102 1.00 2.06 C ATOM 530 CD GLN A 35 -5.121 -9.073 10.558 1.00 2.71 C ATOM 531 OE1 GLN A 35 -5.237 -8.098 11.306 1.00 3.16 O ATOM 532 NE2 GLN A 35 -4.632 -10.227 10.976 1.00 3.28 N ATOM 0 H GLN A 35 -4.330 -7.296 5.719 1.00 0.63 H new ATOM 0 HA GLN A 35 -6.818 -8.016 6.963 1.00 0.85 H new ATOM 0 HB2 GLN A 35 -4.354 -7.310 8.584 1.00 1.45 H new ATOM 0 HB3 GLN A 35 -5.951 -6.911 9.186 1.00 1.45 H new ATOM 0 HG2 GLN A 35 -6.577 -9.322 9.007 1.00 2.06 H new ATOM 0 HG3 GLN A 35 -4.935 -9.682 8.513 1.00 2.06 H new ATOM 0 HE21 GLN A 35 -4.551 -11.011 10.329 1.00 3.28 H new ATOM 0 HE22 GLN A 35 -4.335 -10.334 11.946 1.00 3.28 H new ATOM 541 N TYR A 36 -7.225 -5.531 7.605 1.00 0.78 N ATOM 542 CA TYR A 36 -7.696 -4.202 7.390 1.00 0.73 C ATOM 543 C TYR A 36 -8.027 -3.383 8.604 1.00 0.78 C ATOM 544 O TYR A 36 -8.005 -3.848 9.743 1.00 1.06 O ATOM 545 CB TYR A 36 -8.825 -4.129 6.493 1.00 0.94 C ATOM 546 CG TYR A 36 -8.392 -3.131 5.479 1.00 1.62 C ATOM 547 CD1 TYR A 36 -7.338 -3.360 4.622 1.00 2.09 C ATOM 548 CD2 TYR A 36 -9.099 -1.967 5.373 1.00 2.13 C ATOM 549 CE1 TYR A 36 -6.983 -2.438 3.684 1.00 3.04 C ATOM 550 CE2 TYR A 36 -8.755 -1.020 4.430 1.00 3.13 C ATOM 551 CZ TYR A 36 -7.489 -1.307 3.621 1.00 3.57 C ATOM 552 OH TYR A 36 -7.333 -0.317 2.648 1.00 4.60 O ATOM 0 H TYR A 36 -7.716 -6.054 8.330 1.00 0.78 H new ATOM 0 HA TYR A 36 -6.807 -3.758 6.943 1.00 0.73 H new ATOM 0 HB2 TYR A 36 -9.041 -5.096 6.039 1.00 0.94 H new ATOM 0 HB3 TYR A 36 -9.730 -3.810 7.010 1.00 0.94 H new ATOM 0 HD1 TYR A 36 -6.785 -4.285 4.695 1.00 2.09 H new ATOM 0 HD2 TYR A 36 -9.935 -1.786 6.033 1.00 2.13 H new ATOM 0 HE1 TYR A 36 -6.226 -2.704 2.961 1.00 3.04 H new ATOM 0 HE2 TYR A 36 -9.345 -0.129 4.273 1.00 3.13 H new ATOM 0 HH TYR A 36 -6.979 -0.718 1.827 1.00 4.60 H new ATOM 562 N LEU A 37 -8.331 -2.128 8.303 1.00 0.72 N ATOM 563 CA LEU A 37 -8.752 -1.153 9.275 1.00 0.89 C ATOM 564 C LEU A 37 -9.750 -0.193 8.614 1.00 0.70 C ATOM 565 O LEU A 37 -10.113 -0.362 7.424 1.00 0.61 O ATOM 566 CB LEU A 37 -7.537 -0.407 9.843 1.00 1.23 C ATOM 567 CG LEU A 37 -7.718 0.187 11.245 1.00 1.93 C ATOM 568 CD1 LEU A 37 -8.265 -0.856 12.208 1.00 2.72 C ATOM 569 CD2 LEU A 37 -6.395 0.724 11.763 1.00 2.57 C ATOM 0 H LEU A 37 -8.288 -1.760 7.352 1.00 0.72 H new ATOM 0 HA LEU A 37 -9.245 -1.647 10.112 1.00 0.89 H new ATOM 0 HB2 LEU A 37 -6.690 -1.093 9.866 1.00 1.23 H new ATOM 0 HB3 LEU A 37 -7.276 0.399 9.158 1.00 1.23 H new ATOM 0 HG LEU A 37 -8.434 1.006 11.177 1.00 1.93 H new ATOM 0 HD11 LEU A 37 -8.385 -0.412 13.196 1.00 2.72 H new ATOM 0 HD12 LEU A 37 -9.231 -1.211 11.850 1.00 2.72 H new ATOM 0 HD13 LEU A 37 -7.571 -1.694 12.269 1.00 2.72 H new ATOM 0 HD21 LEU A 37 -6.537 1.143 12.759 1.00 2.57 H new ATOM 0 HD22 LEU A 37 -5.667 -0.086 11.811 1.00 2.57 H new ATOM 0 HD23 LEU A 37 -6.030 1.501 11.091 1.00 2.57 H new ATOM 581 N ASN A 38 -10.189 0.796 9.379 1.00 0.78 N ATOM 582 CA ASN A 38 -11.307 1.637 8.994 1.00 0.73 C ATOM 583 C ASN A 38 -10.883 2.959 8.368 1.00 0.68 C ATOM 584 O ASN A 38 -9.700 3.222 8.160 1.00 0.75 O ATOM 585 CB ASN A 38 -12.201 1.903 10.211 1.00 0.94 C ATOM 586 CG ASN A 38 -11.497 2.654 11.333 1.00 1.62 C ATOM 587 OD1 ASN A 38 -10.287 2.525 11.534 1.00 2.32 O ATOM 588 ND2 ASN A 38 -12.252 3.448 12.074 1.00 2.29 N ATOM 0 H ASN A 38 -9.779 1.036 10.282 1.00 0.78 H new ATOM 0 HA ASN A 38 -11.858 1.091 8.228 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -13.072 2.476 9.893 1.00 0.94 H new ATOM 0 HB3 ASN A 38 -12.568 0.952 10.596 1.00 0.94 H new ATOM 0 HD21 ASN A 38 -11.836 3.978 12.840 1.00 2.29 H new ATOM 0 HD22 ASN A 38 -13.250 3.531 11.879 1.00 2.29 H new ATOM 595 N PHE A 39 -11.891 3.781 8.092 1.00 0.68 N ATOM 596 CA PHE A 39 -11.727 5.111 7.504 1.00 0.72 C ATOM 597 C PHE A 39 -10.871 6.025 8.375 1.00 0.83 C ATOM 598 O PHE A 39 -10.323 7.033 7.918 1.00 1.66 O ATOM 599 CB PHE A 39 -13.118 5.684 7.242 1.00 0.85 C ATOM 600 CG PHE A 39 -13.282 7.143 7.554 1.00 1.07 C ATOM 601 CD1 PHE A 39 -12.857 8.109 6.658 1.00 1.35 C ATOM 602 CD2 PHE A 39 -13.855 7.543 8.738 1.00 1.43 C ATOM 603 CE1 PHE A 39 -13.005 9.451 6.944 1.00 1.80 C ATOM 604 CE2 PHE A 39 -14.008 8.884 9.036 1.00 1.87 C ATOM 605 CZ PHE A 39 -13.589 9.842 8.125 1.00 2.03 C ATOM 0 H PHE A 39 -12.865 3.539 8.274 1.00 0.68 H new ATOM 0 HA PHE A 39 -11.184 5.034 6.562 1.00 0.72 H new ATOM 0 HB2 PHE A 39 -13.367 5.524 6.193 1.00 0.85 H new ATOM 0 HB3 PHE A 39 -13.842 5.120 7.831 1.00 0.85 H new ATOM 0 HD1 PHE A 39 -12.404 7.809 5.724 1.00 1.35 H new ATOM 0 HD2 PHE A 39 -14.190 6.799 9.445 1.00 1.43 H new ATOM 0 HE1 PHE A 39 -12.662 10.194 6.239 1.00 1.80 H new ATOM 0 HE2 PHE A 39 -14.452 9.184 9.974 1.00 1.87 H new ATOM 0 HZ PHE A 39 -13.721 10.892 8.343 1.00 2.03 H new ATOM 615 N LYS A 40 -10.724 5.638 9.610 1.00 0.86 N ATOM 616 CA LYS A 40 -9.937 6.400 10.557 1.00 0.97 C ATOM 617 C LYS A 40 -8.747 5.582 11.034 1.00 0.72 C ATOM 618 O LYS A 40 -8.310 5.711 12.178 1.00 1.17 O ATOM 619 CB LYS A 40 -10.797 6.808 11.742 1.00 1.52 C ATOM 620 CG LYS A 40 -10.764 8.301 12.044 1.00 2.18 C ATOM 621 CD LYS A 40 -9.378 8.766 12.463 1.00 2.89 C ATOM 622 CE LYS A 40 -9.333 10.273 12.668 1.00 3.36 C ATOM 623 NZ LYS A 40 -10.309 10.729 13.693 1.00 3.76 N ATOM 0 H LYS A 40 -11.141 4.790 9.995 1.00 0.86 H new ATOM 0 HA LYS A 40 -9.568 7.298 10.061 1.00 0.97 H new ATOM 0 HB2 LYS A 40 -11.827 6.509 11.551 1.00 1.52 H new ATOM 0 HB3 LYS A 40 -10.465 6.261 12.625 1.00 1.52 H new ATOM 0 HG2 LYS A 40 -11.082 8.857 11.162 1.00 2.18 H new ATOM 0 HG3 LYS A 40 -11.477 8.527 12.837 1.00 2.18 H new ATOM 0 HD2 LYS A 40 -9.088 8.264 13.386 1.00 2.89 H new ATOM 0 HD3 LYS A 40 -8.652 8.479 11.702 1.00 2.89 H new ATOM 0 HE2 LYS A 40 -8.328 10.567 12.970 1.00 3.36 H new ATOM 0 HE3 LYS A 40 -9.541 10.773 11.722 1.00 3.36 H new ATOM 0 HZ1 LYS A 40 -10.130 11.727 13.923 1.00 3.76 H new ATOM 0 HZ2 LYS A 40 -11.275 10.627 13.322 1.00 3.76 H new ATOM 0 HZ3 LYS A 40 -10.205 10.152 14.552 1.00 3.76 H new ATOM 637 N GLY A 41 -8.223 4.733 10.166 1.00 0.71 N ATOM 638 CA GLY A 41 -7.143 3.877 10.574 1.00 1.13 C ATOM 639 C GLY A 41 -6.228 3.468 9.440 1.00 0.94 C ATOM 640 O GLY A 41 -6.661 3.258 8.309 1.00 1.09 O ATOM 0 H GLY A 41 -8.525 4.625 9.198 1.00 0.71 H new ATOM 0 HA2 GLY A 41 -6.555 4.387 11.337 1.00 1.13 H new ATOM 0 HA3 GLY A 41 -7.556 2.981 11.037 1.00 1.13 H new ATOM 644 N THR A 42 -4.953 3.367 9.763 1.00 0.82 N ATOM 645 CA THR A 42 -3.938 2.904 8.838 1.00 0.68 C ATOM 646 C THR A 42 -3.513 1.478 9.167 1.00 0.65 C ATOM 647 O THR A 42 -3.543 1.057 10.324 1.00 0.75 O ATOM 648 CB THR A 42 -2.706 3.819 8.892 1.00 0.69 C ATOM 649 OG1 THR A 42 -2.509 4.298 10.231 1.00 0.81 O ATOM 650 CG2 THR A 42 -2.862 4.987 7.940 1.00 0.71 C ATOM 0 H THR A 42 -4.589 3.607 10.685 1.00 0.82 H new ATOM 0 HA THR A 42 -4.367 2.927 7.836 1.00 0.68 H new ATOM 0 HB THR A 42 -1.834 3.241 8.586 1.00 0.69 H new ATOM 0 HG1 THR A 42 -1.721 4.879 10.258 1.00 0.81 H new ATOM 0 HG21 THR A 42 -1.978 5.622 7.995 1.00 0.71 H new ATOM 0 HG22 THR A 42 -2.978 4.614 6.922 1.00 0.71 H new ATOM 0 HG23 THR A 42 -3.743 5.567 8.217 1.00 0.71 H new ATOM 658 N ARG A 43 -3.139 0.737 8.149 1.00 0.58 N ATOM 659 CA ARG A 43 -2.540 -0.567 8.330 1.00 0.58 C ATOM 660 C ARG A 43 -1.164 -0.504 7.730 1.00 0.52 C ATOM 661 O ARG A 43 -1.015 -0.424 6.515 1.00 0.50 O ATOM 662 CB ARG A 43 -3.361 -1.658 7.666 1.00 0.67 C ATOM 663 CG ARG A 43 -4.711 -1.915 8.314 1.00 0.86 C ATOM 664 CD ARG A 43 -4.579 -2.597 9.672 1.00 1.27 C ATOM 665 NE ARG A 43 -4.068 -1.701 10.713 1.00 1.59 N ATOM 666 CZ ARG A 43 -3.691 -2.109 11.925 1.00 2.26 C ATOM 667 NH1 ARG A 43 -3.773 -3.391 12.260 1.00 2.74 N ATOM 668 NH2 ARG A 43 -3.245 -1.229 12.812 1.00 3.01 N ATOM 0 H ARG A 43 -3.241 1.020 7.174 1.00 0.58 H new ATOM 0 HA ARG A 43 -2.497 -0.815 9.391 1.00 0.58 H new ATOM 0 HB2 ARG A 43 -3.519 -1.391 6.621 1.00 0.67 H new ATOM 0 HB3 ARG A 43 -2.786 -2.584 7.675 1.00 0.67 H new ATOM 0 HG2 ARG A 43 -5.240 -0.970 8.434 1.00 0.86 H new ATOM 0 HG3 ARG A 43 -5.316 -2.537 7.654 1.00 0.86 H new ATOM 0 HD2 ARG A 43 -5.553 -2.981 9.976 1.00 1.27 H new ATOM 0 HD3 ARG A 43 -3.913 -3.455 9.579 1.00 1.27 H new ATOM 0 HE ARG A 43 -3.997 -0.707 10.498 1.00 1.59 H new ATOM 0 HH11 ARG A 43 -4.126 -4.072 11.588 1.00 2.74 H new ATOM 0 HH12 ARG A 43 -3.482 -3.695 13.189 1.00 2.74 H new ATOM 0 HH21 ARG A 43 -3.191 -0.240 12.567 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -2.957 -1.541 13.739 1.00 3.01 H new ATOM 682 N ILE A 44 -0.159 -0.504 8.570 1.00 0.52 N ATOM 683 CA ILE A 44 1.147 -0.120 8.111 1.00 0.51 C ATOM 684 C ILE A 44 2.089 -1.290 8.000 1.00 0.58 C ATOM 685 O ILE A 44 2.247 -2.096 8.922 1.00 0.66 O ATOM 686 CB ILE A 44 1.781 0.975 8.983 1.00 0.53 C ATOM 687 CG1 ILE A 44 0.823 2.149 9.127 1.00 0.56 C ATOM 688 CG2 ILE A 44 3.062 1.458 8.339 1.00 0.59 C ATOM 689 CD1 ILE A 44 -0.128 2.035 10.302 1.00 0.61 C ATOM 0 H ILE A 44 -0.219 -0.760 9.555 1.00 0.52 H new ATOM 0 HA ILE A 44 0.989 0.287 7.112 1.00 0.51 H new ATOM 0 HB ILE A 44 1.995 0.561 9.968 1.00 0.53 H new ATOM 0 HG12 ILE A 44 1.403 3.066 9.231 1.00 0.56 H new ATOM 0 HG13 ILE A 44 0.241 2.243 8.210 1.00 0.56 H new ATOM 0 HG21 ILE A 44 3.510 2.235 8.959 1.00 0.59 H new ATOM 0 HG22 ILE A 44 3.757 0.624 8.242 1.00 0.59 H new ATOM 0 HG23 ILE A 44 2.842 1.864 7.351 1.00 0.59 H new ATOM 0 HD11 ILE A 44 -0.775 2.911 10.332 1.00 0.61 H new ATOM 0 HD12 ILE A 44 -0.737 1.138 10.192 1.00 0.61 H new ATOM 0 HD13 ILE A 44 0.444 1.974 11.228 1.00 0.61 H new ATOM 701 N ILE A 45 2.687 -1.368 6.840 1.00 0.61 N ATOM 702 CA ILE A 45 3.714 -2.325 6.550 1.00 0.74 C ATOM 703 C ILE A 45 5.063 -1.759 6.897 1.00 0.77 C ATOM 704 O ILE A 45 5.220 -0.548 7.005 1.00 0.79 O ATOM 705 CB ILE A 45 3.702 -2.659 5.089 1.00 0.95 C ATOM 706 CG1 ILE A 45 2.337 -3.088 4.714 1.00 1.11 C ATOM 707 CG2 ILE A 45 4.696 -3.741 4.734 1.00 1.62 C ATOM 708 CD1 ILE A 45 2.150 -3.053 3.243 1.00 1.20 C ATOM 0 H ILE A 45 2.467 -0.754 6.056 1.00 0.61 H new ATOM 0 HA ILE A 45 3.525 -3.221 7.141 1.00 0.74 H new ATOM 0 HB ILE A 45 3.995 -1.767 4.535 1.00 0.95 H new ATOM 0 HG12 ILE A 45 2.156 -4.098 5.083 1.00 1.11 H new ATOM 0 HG13 ILE A 45 1.604 -2.438 5.192 1.00 1.11 H new ATOM 0 HG21 ILE A 45 4.646 -3.944 3.664 1.00 1.62 H new ATOM 0 HG22 ILE A 45 5.702 -3.411 4.994 1.00 1.62 H new ATOM 0 HG23 ILE A 45 4.458 -4.649 5.287 1.00 1.62 H new ATOM 0 HD11 ILE A 45 1.138 -3.373 2.997 1.00 1.20 H new ATOM 0 HD12 ILE A 45 2.307 -2.037 2.880 1.00 1.20 H new ATOM 0 HD13 ILE A 45 2.868 -3.723 2.769 1.00 1.20 H new ATOM 720 N LYS A 46 6.027 -2.622 7.060 1.00 0.90 N ATOM 721 CA LYS A 46 7.396 -2.186 7.218 1.00 0.97 C ATOM 722 C LYS A 46 8.359 -3.310 6.884 1.00 1.10 C ATOM 723 O LYS A 46 8.023 -4.487 7.011 1.00 1.20 O ATOM 724 CB LYS A 46 7.648 -1.644 8.630 1.00 1.10 C ATOM 725 CG LYS A 46 7.302 -2.616 9.748 1.00 1.35 C ATOM 726 CD LYS A 46 7.449 -1.964 11.117 1.00 1.85 C ATOM 727 CE LYS A 46 6.479 -0.802 11.297 1.00 2.11 C ATOM 728 NZ LYS A 46 6.623 -0.155 12.625 1.00 2.65 N ATOM 0 H LYS A 46 5.895 -3.633 7.088 1.00 0.90 H new ATOM 0 HA LYS A 46 7.571 -1.370 6.517 1.00 0.97 H new ATOM 0 HB2 LYS A 46 8.699 -1.368 8.718 1.00 1.10 H new ATOM 0 HB3 LYS A 46 7.066 -0.732 8.765 1.00 1.10 H new ATOM 0 HG2 LYS A 46 6.279 -2.971 9.620 1.00 1.35 H new ATOM 0 HG3 LYS A 46 7.952 -3.489 9.687 1.00 1.35 H new ATOM 0 HD2 LYS A 46 7.274 -2.708 11.895 1.00 1.85 H new ATOM 0 HD3 LYS A 46 8.471 -1.607 11.242 1.00 1.85 H new ATOM 0 HE2 LYS A 46 6.650 -0.063 10.514 1.00 2.11 H new ATOM 0 HE3 LYS A 46 5.457 -1.162 11.178 1.00 2.11 H new ATOM 0 HZ1 LYS A 46 5.945 0.629 12.704 1.00 2.65 H new ATOM 0 HZ2 LYS A 46 6.435 -0.852 13.373 1.00 2.65 H new ATOM 0 HZ3 LYS A 46 7.590 0.212 12.729 1.00 2.65 H new ATOM 742 N PHE A 47 9.563 -2.925 6.493 1.00 1.20 N ATOM 743 CA PHE A 47 10.578 -3.833 5.987 1.00 1.41 C ATOM 744 C PHE A 47 11.899 -3.149 6.210 1.00 1.59 C ATOM 745 O PHE A 47 12.236 -2.178 5.534 1.00 1.68 O ATOM 746 CB PHE A 47 10.415 -4.153 4.491 1.00 1.50 C ATOM 747 CG PHE A 47 9.163 -4.911 4.136 1.00 1.87 C ATOM 748 CD1 PHE A 47 8.282 -4.400 3.199 1.00 2.53 C ATOM 749 CD2 PHE A 47 8.861 -6.123 4.743 1.00 2.17 C ATOM 750 CE1 PHE A 47 7.126 -5.079 2.873 1.00 3.14 C ATOM 751 CE2 PHE A 47 7.704 -6.805 4.418 1.00 2.69 C ATOM 752 CZ PHE A 47 6.836 -6.281 3.483 1.00 3.10 C ATOM 0 H PHE A 47 9.868 -1.952 6.519 1.00 1.20 H new ATOM 0 HA PHE A 47 10.497 -4.787 6.508 1.00 1.41 H new ATOM 0 HB2 PHE A 47 10.427 -3.218 3.931 1.00 1.50 H new ATOM 0 HB3 PHE A 47 11.278 -4.732 4.162 1.00 1.50 H new ATOM 0 HD1 PHE A 47 8.502 -3.459 2.717 1.00 2.53 H new ATOM 0 HD2 PHE A 47 9.537 -6.537 5.476 1.00 2.17 H new ATOM 0 HE1 PHE A 47 6.448 -4.669 2.139 1.00 3.14 H new ATOM 0 HE2 PHE A 47 7.480 -7.747 4.896 1.00 2.69 H new ATOM 0 HZ PHE A 47 5.930 -6.812 3.229 1.00 3.10 H new ATOM 762 N LYS A 48 12.627 -3.635 7.174 1.00 1.83 N ATOM 763 CA LYS A 48 13.746 -2.900 7.699 1.00 2.13 C ATOM 764 C LYS A 48 15.063 -3.452 7.176 1.00 2.50 C ATOM 765 O LYS A 48 16.145 -3.085 7.639 1.00 3.01 O ATOM 766 CB LYS A 48 13.666 -2.911 9.213 1.00 2.46 C ATOM 767 CG LYS A 48 13.695 -4.294 9.851 1.00 3.10 C ATOM 768 CD LYS A 48 12.295 -4.849 10.058 1.00 3.81 C ATOM 769 CE LYS A 48 12.322 -6.161 10.823 1.00 4.36 C ATOM 770 NZ LYS A 48 10.957 -6.715 11.016 1.00 4.90 N ATOM 0 H LYS A 48 12.466 -4.541 7.615 1.00 1.83 H new ATOM 0 HA LYS A 48 13.705 -1.865 7.359 1.00 2.13 H new ATOM 0 HB2 LYS A 48 14.497 -2.327 9.610 1.00 2.46 H new ATOM 0 HB3 LYS A 48 12.749 -2.407 9.517 1.00 2.46 H new ATOM 0 HG2 LYS A 48 14.266 -4.974 9.219 1.00 3.10 H new ATOM 0 HG3 LYS A 48 14.211 -4.241 10.810 1.00 3.10 H new ATOM 0 HD2 LYS A 48 11.691 -4.122 10.602 1.00 3.81 H new ATOM 0 HD3 LYS A 48 11.816 -5.001 9.091 1.00 3.81 H new ATOM 0 HE2 LYS A 48 12.935 -6.884 10.284 1.00 4.36 H new ATOM 0 HE3 LYS A 48 12.792 -6.006 11.794 1.00 4.36 H new ATOM 0 HZ1 LYS A 48 11.017 -7.610 11.542 1.00 4.90 H new ATOM 0 HZ2 LYS A 48 10.380 -6.036 11.552 1.00 4.90 H new ATOM 0 HZ3 LYS A 48 10.518 -6.887 10.089 1.00 4.90 H new ATOM 879 N ARG A 56 9.346 -8.068 -4.844 1.00 3.37 N ATOM 880 CA ARG A 56 9.086 -6.724 -4.381 1.00 2.70 C ATOM 881 C ARG A 56 7.776 -6.645 -3.598 1.00 2.24 C ATOM 882 O ARG A 56 7.375 -7.613 -2.959 1.00 2.47 O ATOM 883 CB ARG A 56 9.087 -5.821 -5.597 1.00 3.43 C ATOM 884 CG ARG A 56 9.971 -4.595 -5.442 1.00 4.15 C ATOM 885 CD ARG A 56 10.067 -3.792 -6.729 1.00 4.75 C ATOM 886 NE ARG A 56 11.163 -2.823 -6.674 1.00 5.53 N ATOM 887 CZ ARG A 56 11.457 -1.961 -7.642 1.00 6.18 C ATOM 888 NH1 ARG A 56 10.715 -1.902 -8.741 1.00 6.21 N ATOM 889 NH2 ARG A 56 12.503 -1.155 -7.505 1.00 7.08 N ATOM 0 HA ARG A 56 9.859 -6.402 -3.683 1.00 2.70 H new ATOM 0 HB2 ARG A 56 9.421 -6.392 -6.463 1.00 3.43 H new ATOM 0 HB3 ARG A 56 8.066 -5.499 -5.801 1.00 3.43 H new ATOM 0 HG2 ARG A 56 9.575 -3.961 -4.649 1.00 4.15 H new ATOM 0 HG3 ARG A 56 10.969 -4.905 -5.134 1.00 4.15 H new ATOM 0 HD2 ARG A 56 10.219 -4.468 -7.571 1.00 4.75 H new ATOM 0 HD3 ARG A 56 9.126 -3.270 -6.905 1.00 4.75 H new ATOM 0 HE ARG A 56 11.741 -2.808 -5.834 1.00 5.53 H new ATOM 0 HH11 ARG A 56 9.912 -2.521 -8.848 1.00 6.21 H new ATOM 0 HH12 ARG A 56 10.948 -1.237 -9.479 1.00 6.21 H new ATOM 0 HH21 ARG A 56 13.075 -1.200 -6.661 1.00 7.08 H new ATOM 0 HH22 ARG A 56 12.735 -0.491 -8.243 1.00 7.08 H new ATOM 903 N TRP A 57 7.119 -5.497 -3.635 1.00 1.83 N ATOM 904 CA TRP A 57 5.976 -5.268 -2.771 1.00 1.49 C ATOM 905 C TRP A 57 4.731 -4.949 -3.575 1.00 1.19 C ATOM 906 O TRP A 57 4.758 -4.117 -4.485 1.00 1.43 O ATOM 907 CB TRP A 57 6.281 -4.131 -1.802 1.00 1.69 C ATOM 908 CG TRP A 57 7.672 -4.203 -1.264 1.00 1.83 C ATOM 909 CD1 TRP A 57 8.106 -4.969 -0.232 1.00 1.56 C ATOM 910 CD2 TRP A 57 8.819 -3.498 -1.752 1.00 2.78 C ATOM 911 NE1 TRP A 57 9.452 -4.792 -0.049 1.00 1.85 N ATOM 912 CE2 TRP A 57 9.912 -3.890 -0.962 1.00 2.70 C ATOM 913 CE3 TRP A 57 9.026 -2.575 -2.776 1.00 3.91 C ATOM 914 CZ2 TRP A 57 11.196 -3.394 -1.166 1.00 3.65 C ATOM 915 CZ3 TRP A 57 10.298 -2.082 -2.977 1.00 4.90 C ATOM 916 CH2 TRP A 57 11.370 -2.493 -2.176 1.00 4.75 C ATOM 0 H TRP A 57 7.356 -4.717 -4.248 1.00 1.83 H new ATOM 0 HA TRP A 57 5.785 -6.182 -2.209 1.00 1.49 H new ATOM 0 HB2 TRP A 57 6.139 -3.177 -2.309 1.00 1.69 H new ATOM 0 HB3 TRP A 57 5.572 -4.161 -0.975 1.00 1.69 H new ATOM 0 HD1 TRP A 57 7.482 -5.623 0.359 1.00 1.56 H new ATOM 0 HE1 TRP A 57 10.019 -5.260 0.657 1.00 1.85 H new ATOM 0 HE3 TRP A 57 8.206 -2.252 -3.400 1.00 3.91 H new ATOM 0 HZ2 TRP A 57 12.024 -3.710 -0.548 1.00 3.65 H new ATOM 0 HZ3 TRP A 57 10.470 -1.366 -3.767 1.00 4.90 H new ATOM 0 HH2 TRP A 57 12.354 -2.089 -2.361 1.00 4.75 H new ATOM 927 N ASN A 58 3.644 -5.616 -3.226 1.00 0.91 N ATOM 928 CA ASN A 58 2.364 -5.409 -3.879 1.00 0.71 C ATOM 929 C ASN A 58 1.236 -5.684 -2.886 1.00 0.59 C ATOM 930 O ASN A 58 1.237 -6.724 -2.224 1.00 0.71 O ATOM 931 CB ASN A 58 2.238 -6.336 -5.089 1.00 0.74 C ATOM 932 CG ASN A 58 0.957 -6.130 -5.875 1.00 1.23 C ATOM 933 OD1 ASN A 58 0.398 -5.036 -5.909 1.00 2.05 O ATOM 934 ND2 ASN A 58 0.494 -7.184 -6.529 1.00 1.91 N ATOM 0 H ASN A 58 3.624 -6.315 -2.483 1.00 0.91 H new ATOM 0 HA ASN A 58 2.296 -4.377 -4.222 1.00 0.71 H new ATOM 0 HB2 ASN A 58 3.090 -6.177 -5.750 1.00 0.74 H new ATOM 0 HB3 ASN A 58 2.286 -7.371 -4.751 1.00 0.74 H new ATOM 0 HD21 ASN A 58 -0.356 -7.105 -7.087 1.00 1.91 H new ATOM 0 HD22 ASN A 58 0.988 -8.075 -6.475 1.00 1.91 H new ATOM 941 N CYS A 59 0.294 -4.757 -2.765 1.00 0.55 N ATOM 942 CA CYS A 59 -0.815 -4.924 -1.830 1.00 0.50 C ATOM 943 C CYS A 59 -2.112 -5.102 -2.614 1.00 0.44 C ATOM 944 O CYS A 59 -2.367 -4.378 -3.576 1.00 0.56 O ATOM 945 CB CYS A 59 -0.944 -3.727 -0.866 1.00 0.60 C ATOM 946 SG CYS A 59 0.642 -3.047 -0.252 1.00 0.76 S ATOM 0 H CYS A 59 0.274 -3.887 -3.298 1.00 0.55 H new ATOM 0 HA CYS A 59 -0.616 -5.809 -1.225 1.00 0.50 H new ATOM 0 HB2 CYS A 59 -1.491 -2.931 -1.371 1.00 0.60 H new ATOM 0 HB3 CYS A 59 -1.545 -4.033 -0.010 1.00 0.60 H new ATOM 951 N LEU A 60 -2.938 -6.050 -2.204 1.00 0.36 N ATOM 952 CA LEU A 60 -4.129 -6.381 -2.946 1.00 0.34 C ATOM 953 C LEU A 60 -5.319 -6.156 -2.056 1.00 0.29 C ATOM 954 O LEU A 60 -5.413 -6.754 -0.992 1.00 0.32 O ATOM 955 CB LEU A 60 -4.086 -7.843 -3.391 1.00 0.44 C ATOM 956 CG LEU A 60 -2.862 -8.244 -4.216 1.00 1.27 C ATOM 957 CD1 LEU A 60 -2.862 -9.741 -4.465 1.00 1.90 C ATOM 958 CD2 LEU A 60 -2.829 -7.487 -5.534 1.00 1.85 C ATOM 0 H LEU A 60 -2.799 -6.602 -1.358 1.00 0.36 H new ATOM 0 HA LEU A 60 -4.197 -5.753 -3.834 1.00 0.34 H new ATOM 0 HB2 LEU A 60 -4.128 -8.476 -2.505 1.00 0.44 H new ATOM 0 HB3 LEU A 60 -4.981 -8.053 -3.976 1.00 0.44 H new ATOM 0 HG LEU A 60 -1.967 -7.984 -3.651 1.00 1.27 H new ATOM 0 HD11 LEU A 60 -1.985 -10.012 -5.053 1.00 1.90 H new ATOM 0 HD12 LEU A 60 -2.836 -10.268 -3.511 1.00 1.90 H new ATOM 0 HD13 LEU A 60 -3.764 -10.019 -5.009 1.00 1.90 H new ATOM 0 HD21 LEU A 60 -1.950 -7.788 -6.104 1.00 1.85 H new ATOM 0 HD22 LEU A 60 -3.728 -7.714 -6.106 1.00 1.85 H new ATOM 0 HD23 LEU A 60 -2.785 -6.416 -5.337 1.00 1.85 H new ATOM 970 N PHE A 61 -6.234 -5.323 -2.477 1.00 0.29 N ATOM 971 CA PHE A 61 -7.346 -4.992 -1.626 1.00 0.28 C ATOM 972 C PHE A 61 -8.531 -5.839 -2.019 1.00 0.37 C ATOM 973 O PHE A 61 -9.018 -5.741 -3.136 1.00 0.48 O ATOM 974 CB PHE A 61 -7.759 -3.521 -1.761 1.00 0.32 C ATOM 975 CG PHE A 61 -6.791 -2.500 -1.261 1.00 0.30 C ATOM 976 CD1 PHE A 61 -5.476 -2.860 -1.138 1.00 0.59 C ATOM 977 CD2 PHE A 61 -7.177 -1.233 -0.866 1.00 0.54 C ATOM 978 CE1 PHE A 61 -4.546 -1.996 -0.637 1.00 0.63 C ATOM 979 CE2 PHE A 61 -6.251 -0.343 -0.372 1.00 0.57 C ATOM 980 CZ PHE A 61 -5.078 -0.498 -0.421 1.00 0.37 C ATOM 0 H PHE A 61 -6.233 -4.867 -3.390 1.00 0.29 H new ATOM 0 HA PHE A 61 -7.037 -5.175 -0.597 1.00 0.28 H new ATOM 0 HB2 PHE A 61 -7.953 -3.318 -2.814 1.00 0.32 H new ATOM 0 HB3 PHE A 61 -8.702 -3.383 -1.231 1.00 0.32 H new ATOM 0 HD1 PHE A 61 -5.168 -3.849 -1.444 1.00 0.59 H new ATOM 0 HD2 PHE A 61 -8.213 -0.939 -0.946 1.00 0.54 H new ATOM 0 HE1 PHE A 61 -3.535 -2.296 -0.405 1.00 0.63 H new ATOM 0 HE2 PHE A 61 -6.620 0.560 0.093 1.00 0.57 H new ATOM 0 HZ PHE A 61 -4.396 0.333 -0.324 1.00 0.37 H new ATOM 990 N ARG A 62 -8.999 -6.655 -1.102 1.00 0.47 N ATOM 991 CA ARG A 62 -10.105 -7.544 -1.376 1.00 0.66 C ATOM 992 C ARG A 62 -11.124 -7.491 -0.250 1.00 0.89 C ATOM 993 O ARG A 62 -10.812 -7.769 0.907 1.00 1.05 O ATOM 994 CB ARG A 62 -9.601 -8.977 -1.570 1.00 0.84 C ATOM 995 CG ARG A 62 -8.721 -9.484 -0.437 1.00 1.49 C ATOM 996 CD ARG A 62 -8.233 -10.895 -0.708 1.00 1.88 C ATOM 997 NE ARG A 62 -9.339 -11.842 -0.842 1.00 2.29 N ATOM 998 CZ ARG A 62 -9.321 -12.900 -1.652 1.00 2.86 C ATOM 999 NH1 ARG A 62 -8.262 -13.143 -2.416 1.00 3.11 N ATOM 1000 NH2 ARG A 62 -10.364 -13.718 -1.701 1.00 3.63 N ATOM 0 H ARG A 62 -8.628 -6.721 -0.154 1.00 0.47 H new ATOM 0 HA ARG A 62 -10.590 -7.217 -2.296 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -10.459 -9.641 -1.675 1.00 0.84 H new ATOM 0 HB3 ARG A 62 -9.040 -9.030 -2.503 1.00 0.84 H new ATOM 0 HG2 ARG A 62 -7.866 -8.819 -0.312 1.00 1.49 H new ATOM 0 HG3 ARG A 62 -9.281 -9.464 0.498 1.00 1.49 H new ATOM 0 HD2 ARG A 62 -7.637 -10.903 -1.620 1.00 1.88 H new ATOM 0 HD3 ARG A 62 -7.579 -11.214 0.103 1.00 1.88 H new ATOM 0 HE ARG A 62 -10.176 -11.683 -0.281 1.00 2.29 H new ATOM 0 HH11 ARG A 62 -7.456 -12.518 -2.385 1.00 3.11 H new ATOM 0 HH12 ARG A 62 -8.254 -13.955 -3.034 1.00 3.11 H new ATOM 0 HH21 ARG A 62 -11.181 -13.538 -1.118 1.00 3.63 H new ATOM 0 HH22 ARG A 62 -10.349 -14.527 -2.322 1.00 3.63 H new ATOM 1014 N GLN A 63 -12.331 -7.097 -0.592 1.00 1.13 N ATOM 1015 CA GLN A 63 -13.436 -7.124 0.349 1.00 1.48 C ATOM 1016 C GLN A 63 -14.386 -8.244 -0.034 1.00 2.09 C ATOM 1017 O GLN A 63 -15.161 -8.739 0.784 1.00 2.68 O ATOM 1018 CB GLN A 63 -14.164 -5.778 0.351 1.00 1.69 C ATOM 1019 CG GLN A 63 -15.373 -5.728 1.271 1.00 2.15 C ATOM 1020 CD GLN A 63 -16.001 -4.353 1.321 1.00 2.52 C ATOM 1021 OE1 GLN A 63 -15.321 -3.345 1.156 1.00 3.00 O ATOM 1022 NE2 GLN A 63 -17.302 -4.301 1.549 1.00 3.03 N ATOM 0 H GLN A 63 -12.576 -6.752 -1.520 1.00 1.13 H new ATOM 0 HA GLN A 63 -13.055 -7.303 1.355 1.00 1.48 H new ATOM 0 HB2 GLN A 63 -13.463 -4.998 0.648 1.00 1.69 H new ATOM 0 HB3 GLN A 63 -14.484 -5.549 -0.665 1.00 1.69 H new ATOM 0 HG2 GLN A 63 -16.115 -6.451 0.932 1.00 2.15 H new ATOM 0 HG3 GLN A 63 -15.074 -6.025 2.276 1.00 2.15 H new ATOM 0 HE21 GLN A 63 -17.832 -5.163 1.681 1.00 3.03 H new ATOM 0 HE22 GLN A 63 -17.776 -3.399 1.593 1.00 3.03 H new ATOM 1031 N GLY A 64 -14.293 -8.658 -1.287 1.00 2.55 N ATOM 1032 CA GLY A 64 -15.176 -9.674 -1.793 1.00 3.28 C ATOM 1033 C GLY A 64 -14.444 -10.928 -2.201 1.00 3.41 C ATOM 1034 O GLY A 64 -14.124 -11.769 -1.359 1.00 3.88 O ATOM 0 H GLY A 64 -13.616 -8.303 -1.963 1.00 2.55 H new ATOM 0 HA2 GLY A 64 -15.915 -9.921 -1.030 1.00 3.28 H new ATOM 0 HA3 GLY A 64 -15.722 -9.281 -2.651 1.00 3.28 H new ATOM 1038 N ILE A 65 -14.141 -11.044 -3.487 1.00 3.49 N ATOM 1039 CA ILE A 65 -13.652 -12.300 -4.026 1.00 3.94 C ATOM 1040 C ILE A 65 -12.654 -12.105 -5.179 1.00 4.01 C ATOM 1041 O ILE A 65 -11.456 -12.355 -5.026 1.00 4.32 O ATOM 1042 CB ILE A 65 -14.851 -13.164 -4.462 1.00 4.22 C ATOM 1043 CG1 ILE A 65 -14.414 -14.359 -5.321 1.00 4.91 C ATOM 1044 CG2 ILE A 65 -15.864 -12.296 -5.175 1.00 3.92 C ATOM 1045 CD1 ILE A 65 -13.556 -15.363 -4.580 1.00 5.57 C ATOM 0 H ILE A 65 -14.225 -10.290 -4.169 1.00 3.49 H new ATOM 0 HA ILE A 65 -13.098 -12.813 -3.240 1.00 3.94 H new ATOM 0 HB ILE A 65 -15.318 -13.587 -3.573 1.00 4.22 H new ATOM 0 HG12 ILE A 65 -15.301 -14.865 -5.702 1.00 4.91 H new ATOM 0 HG13 ILE A 65 -13.861 -13.991 -6.185 1.00 4.91 H new ATOM 0 HG21 ILE A 65 -16.713 -12.906 -5.484 1.00 3.92 H new ATOM 0 HG22 ILE A 65 -16.208 -11.510 -4.502 1.00 3.92 H new ATOM 0 HG23 ILE A 65 -15.403 -11.845 -6.053 1.00 3.92 H new ATOM 0 HD11 ILE A 65 -13.287 -16.178 -5.252 1.00 5.57 H new ATOM 0 HD12 ILE A 65 -12.650 -14.874 -4.222 1.00 5.57 H new ATOM 0 HD13 ILE A 65 -14.112 -15.761 -3.732 1.00 5.57 H new ATOM 1057 N ASN A 66 -13.153 -11.649 -6.317 1.00 4.06 N ATOM 1058 CA ASN A 66 -12.351 -11.503 -7.524 1.00 4.27 C ATOM 1059 C ASN A 66 -12.154 -10.024 -7.827 1.00 4.09 C ATOM 1060 O ASN A 66 -12.103 -9.220 -6.902 1.00 4.26 O ATOM 1061 CB ASN A 66 -13.019 -12.240 -8.701 1.00 4.76 C ATOM 1062 CG ASN A 66 -14.472 -11.849 -8.922 1.00 5.45 C ATOM 1063 OD1 ASN A 66 -14.878 -10.722 -8.659 1.00 5.72 O ATOM 1064 ND2 ASN A 66 -15.267 -12.787 -9.410 1.00 6.08 N ATOM 0 H ASN A 66 -14.127 -11.369 -6.431 1.00 4.06 H new ATOM 0 HA ASN A 66 -11.371 -11.954 -7.370 1.00 4.27 H new ATOM 0 HB2 ASN A 66 -12.455 -12.038 -9.612 1.00 4.76 H new ATOM 0 HB3 ASN A 66 -12.964 -13.314 -8.524 1.00 4.76 H new ATOM 0 HD21 ASN A 66 -16.252 -12.583 -9.579 1.00 6.08 H new ATOM 0 HD22 ASN A 66 -14.895 -13.714 -9.617 1.00 6.08 H new ATOM 1071 N MET A 67 -12.008 -9.673 -9.106 1.00 4.09 N ATOM 1072 CA MET A 67 -11.896 -8.267 -9.524 1.00 4.13 C ATOM 1073 C MET A 67 -13.004 -7.402 -8.910 1.00 3.60 C ATOM 1074 O MET A 67 -12.850 -6.190 -8.774 1.00 3.77 O ATOM 1075 CB MET A 67 -11.948 -8.150 -11.051 1.00 4.54 C ATOM 1076 CG MET A 67 -13.252 -8.646 -11.657 1.00 5.19 C ATOM 1077 SD MET A 67 -13.350 -8.361 -13.435 1.00 6.00 S ATOM 1078 CE MET A 67 -14.959 -9.060 -13.797 1.00 6.30 C ATOM 0 H MET A 67 -11.964 -10.342 -9.875 1.00 4.09 H new ATOM 0 HA MET A 67 -10.934 -7.902 -9.163 1.00 4.13 H new ATOM 0 HB2 MET A 67 -11.800 -7.107 -11.332 1.00 4.54 H new ATOM 0 HB3 MET A 67 -11.120 -8.716 -11.479 1.00 4.54 H new ATOM 0 HG2 MET A 67 -13.357 -9.713 -11.458 1.00 5.19 H new ATOM 0 HG3 MET A 67 -14.088 -8.147 -11.167 1.00 5.19 H new ATOM 0 HE1 MET A 67 -15.168 -8.961 -14.862 1.00 6.30 H new ATOM 0 HE2 MET A 67 -14.968 -10.115 -13.522 1.00 6.30 H new ATOM 0 HE3 MET A 67 -15.722 -8.530 -13.227 1.00 6.30 H new ATOM 1088 N LYS A 68 -14.119 -8.029 -8.550 1.00 3.30 N ATOM 1089 CA LYS A 68 -15.200 -7.339 -7.866 1.00 3.12 C ATOM 1090 C LYS A 68 -14.881 -7.235 -6.380 1.00 2.78 C ATOM 1091 O LYS A 68 -14.566 -8.242 -5.740 1.00 3.25 O ATOM 1092 CB LYS A 68 -16.520 -8.084 -8.078 1.00 3.71 C ATOM 1093 CG LYS A 68 -16.920 -8.191 -9.543 1.00 4.30 C ATOM 1094 CD LYS A 68 -18.192 -9.006 -9.728 1.00 4.85 C ATOM 1095 CE LYS A 68 -19.375 -8.375 -9.012 1.00 5.37 C ATOM 1096 NZ LYS A 68 -20.606 -9.200 -9.132 1.00 5.81 N ATOM 0 H LYS A 68 -14.295 -9.019 -8.723 1.00 3.30 H new ATOM 0 HA LYS A 68 -15.302 -6.335 -8.278 1.00 3.12 H new ATOM 0 HB2 LYS A 68 -16.436 -9.086 -7.657 1.00 3.71 H new ATOM 0 HB3 LYS A 68 -17.311 -7.573 -7.529 1.00 3.71 H new ATOM 0 HG2 LYS A 68 -17.067 -7.192 -9.953 1.00 4.30 H new ATOM 0 HG3 LYS A 68 -16.109 -8.651 -10.108 1.00 4.30 H new ATOM 0 HD2 LYS A 68 -18.416 -9.095 -10.791 1.00 4.85 H new ATOM 0 HD3 LYS A 68 -18.035 -10.016 -9.350 1.00 4.85 H new ATOM 0 HE2 LYS A 68 -19.131 -8.240 -7.958 1.00 5.37 H new ATOM 0 HE3 LYS A 68 -19.562 -7.384 -9.425 1.00 5.37 H new ATOM 0 HZ1 LYS A 68 -21.387 -8.733 -8.630 1.00 5.81 H new ATOM 0 HZ2 LYS A 68 -20.855 -9.308 -10.136 1.00 5.81 H new ATOM 0 HZ3 LYS A 68 -20.438 -10.138 -8.715 1.00 5.81 H new ATOM 1110 N PHE A 69 -14.975 -6.016 -5.841 1.00 2.52 N ATOM 1111 CA PHE A 69 -14.588 -5.740 -4.455 1.00 2.44 C ATOM 1112 C PHE A 69 -13.075 -5.906 -4.279 1.00 2.04 C ATOM 1113 O PHE A 69 -12.607 -6.468 -3.285 1.00 2.83 O ATOM 1114 CB PHE A 69 -15.349 -6.660 -3.487 1.00 3.01 C ATOM 1115 CG PHE A 69 -16.804 -6.311 -3.328 1.00 3.88 C ATOM 1116 CD1 PHE A 69 -17.262 -5.666 -2.190 1.00 4.80 C ATOM 1117 CD2 PHE A 69 -17.712 -6.625 -4.325 1.00 4.14 C ATOM 1118 CE1 PHE A 69 -18.598 -5.344 -2.052 1.00 5.84 C ATOM 1119 CE2 PHE A 69 -19.049 -6.305 -4.191 1.00 5.20 C ATOM 1120 CZ PHE A 69 -19.490 -5.673 -3.015 1.00 6.01 C ATOM 0 H PHE A 69 -15.318 -5.200 -6.348 1.00 2.52 H new ATOM 0 HA PHE A 69 -14.851 -4.708 -4.223 1.00 2.44 H new ATOM 0 HB2 PHE A 69 -15.269 -7.688 -3.840 1.00 3.01 H new ATOM 0 HB3 PHE A 69 -14.867 -6.620 -2.510 1.00 3.01 H new ATOM 0 HD1 PHE A 69 -16.567 -5.413 -1.403 1.00 4.80 H new ATOM 0 HD2 PHE A 69 -17.371 -7.126 -5.219 1.00 4.14 H new ATOM 0 HE1 PHE A 69 -18.934 -4.825 -1.167 1.00 5.84 H new ATOM 0 HE2 PHE A 69 -19.748 -6.538 -4.981 1.00 5.20 H new ATOM 0 HZ PHE A 69 -20.538 -5.451 -2.881 1.00 6.01 H new ATOM 1130 N PHE A 70 -12.320 -5.396 -5.252 1.00 1.22 N ATOM 1131 CA PHE A 70 -10.885 -5.598 -5.317 1.00 0.92 C ATOM 1132 C PHE A 70 -10.150 -4.343 -5.798 1.00 0.79 C ATOM 1133 O PHE A 70 -10.761 -3.409 -6.317 1.00 1.19 O ATOM 1134 CB PHE A 70 -10.616 -6.712 -6.303 1.00 1.37 C ATOM 1135 CG PHE A 70 -9.287 -7.340 -6.122 1.00 1.92 C ATOM 1136 CD1 PHE A 70 -8.977 -8.048 -4.980 1.00 2.15 C ATOM 1137 CD2 PHE A 70 -8.354 -7.234 -7.115 1.00 2.74 C ATOM 1138 CE1 PHE A 70 -7.748 -8.639 -4.839 1.00 2.96 C ATOM 1139 CE2 PHE A 70 -7.130 -7.816 -6.992 1.00 3.59 C ATOM 1140 CZ PHE A 70 -6.816 -8.493 -5.718 1.00 3.63 C ATOM 0 H PHE A 70 -12.693 -4.831 -6.015 1.00 1.22 H new ATOM 0 HA PHE A 70 -10.525 -5.839 -4.317 1.00 0.92 H new ATOM 0 HB2 PHE A 70 -11.388 -7.474 -6.200 1.00 1.37 H new ATOM 0 HB3 PHE A 70 -10.690 -6.318 -7.317 1.00 1.37 H new ATOM 0 HD1 PHE A 70 -9.708 -8.138 -4.190 1.00 2.15 H new ATOM 0 HD2 PHE A 70 -8.592 -6.680 -8.011 1.00 2.74 H new ATOM 0 HE1 PHE A 70 -7.555 -9.245 -3.966 1.00 2.96 H new ATOM 0 HE2 PHE A 70 -6.413 -7.784 -7.799 1.00 3.59 H new ATOM 0 HZ PHE A 70 -5.819 -8.861 -5.525 1.00 3.63 H new ATOM 1150 N THR A 71 -8.840 -4.345 -5.594 1.00 0.58 N ATOM 1151 CA THR A 71 -7.926 -3.435 -6.275 1.00 0.49 C ATOM 1152 C THR A 71 -6.489 -3.842 -5.991 1.00 0.40 C ATOM 1153 O THR A 71 -6.148 -4.229 -4.877 1.00 0.49 O ATOM 1154 CB THR A 71 -8.143 -1.937 -5.938 1.00 0.56 C ATOM 1155 OG1 THR A 71 -7.820 -1.156 -7.089 1.00 0.81 O ATOM 1156 CG2 THR A 71 -7.280 -1.452 -4.783 1.00 0.48 C ATOM 0 H THR A 71 -8.377 -4.983 -4.946 1.00 0.58 H new ATOM 0 HA THR A 71 -8.144 -3.526 -7.339 1.00 0.49 H new ATOM 0 HB THR A 71 -9.186 -1.825 -5.643 1.00 0.56 H new ATOM 0 HG1 THR A 71 -8.635 -0.979 -7.603 1.00 0.81 H new ATOM 0 HG21 THR A 71 -7.480 -0.397 -4.598 1.00 0.48 H new ATOM 0 HG22 THR A 71 -7.513 -2.028 -3.888 1.00 0.48 H new ATOM 0 HG23 THR A 71 -6.228 -1.584 -5.035 1.00 0.48 H new ATOM 1164 N GLU A 72 -5.661 -3.799 -7.012 1.00 0.49 N ATOM 1165 CA GLU A 72 -4.278 -4.199 -6.879 1.00 0.45 C ATOM 1166 C GLU A 72 -3.376 -2.970 -6.841 1.00 0.47 C ATOM 1167 O GLU A 72 -3.184 -2.287 -7.848 1.00 0.57 O ATOM 1168 CB GLU A 72 -3.882 -5.151 -8.019 1.00 0.63 C ATOM 1169 CG GLU A 72 -4.020 -4.575 -9.426 1.00 1.19 C ATOM 1170 CD GLU A 72 -5.458 -4.446 -9.892 1.00 1.50 C ATOM 1171 OE1 GLU A 72 -6.098 -3.413 -9.602 1.00 1.83 O ATOM 1172 OE2 GLU A 72 -5.956 -5.372 -10.569 1.00 1.80 O ATOM 0 H GLU A 72 -5.924 -3.489 -7.948 1.00 0.49 H new ATOM 0 HA GLU A 72 -4.153 -4.737 -5.939 1.00 0.45 H new ATOM 0 HB2 GLU A 72 -2.847 -5.459 -7.870 1.00 0.63 H new ATOM 0 HB3 GLU A 72 -4.495 -6.049 -7.950 1.00 0.63 H new ATOM 0 HG2 GLU A 72 -3.548 -3.593 -9.455 1.00 1.19 H new ATOM 0 HG3 GLU A 72 -3.476 -5.211 -10.125 1.00 1.19 H new ATOM 1179 N VAL A 73 -2.848 -2.667 -5.670 1.00 0.44 N ATOM 1180 CA VAL A 73 -2.001 -1.502 -5.518 1.00 0.52 C ATOM 1181 C VAL A 73 -0.559 -1.935 -5.344 1.00 0.64 C ATOM 1182 O VAL A 73 -0.202 -2.510 -4.317 1.00 0.76 O ATOM 1183 CB VAL A 73 -2.392 -0.626 -4.317 1.00 0.52 C ATOM 1184 CG1 VAL A 73 -2.137 0.839 -4.629 1.00 0.66 C ATOM 1185 CG2 VAL A 73 -3.832 -0.847 -3.908 1.00 0.53 C ATOM 0 H VAL A 73 -2.990 -3.208 -4.817 1.00 0.44 H new ATOM 0 HA VAL A 73 -2.129 -0.907 -6.422 1.00 0.52 H new ATOM 0 HB VAL A 73 -1.768 -0.919 -3.473 1.00 0.52 H new ATOM 0 HG11 VAL A 73 -2.418 1.448 -3.770 1.00 0.66 H new ATOM 0 HG12 VAL A 73 -1.079 0.986 -4.847 1.00 0.66 H new ATOM 0 HG13 VAL A 73 -2.730 1.135 -5.494 1.00 0.66 H new ATOM 0 HG21 VAL A 73 -4.070 -0.210 -3.056 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -4.489 -0.599 -4.741 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -3.975 -1.892 -3.631 1.00 0.53 H new ATOM 1195 N GLU A 74 0.254 -1.675 -6.353 1.00 0.80 N ATOM 1196 CA GLU A 74 1.665 -2.005 -6.302 1.00 0.96 C ATOM 1197 C GLU A 74 2.362 -1.191 -5.217 1.00 0.98 C ATOM 1198 O GLU A 74 2.832 -0.090 -5.480 1.00 1.16 O ATOM 1199 CB GLU A 74 2.306 -1.743 -7.662 1.00 1.24 C ATOM 1200 CG GLU A 74 1.813 -2.678 -8.754 1.00 1.49 C ATOM 1201 CD GLU A 74 2.385 -2.340 -10.113 1.00 1.71 C ATOM 1202 OE1 GLU A 74 3.580 -1.969 -10.186 1.00 2.25 O ATOM 1203 OE2 GLU A 74 1.651 -2.450 -11.118 1.00 2.02 O ATOM 0 H GLU A 74 -0.043 -1.233 -7.223 1.00 0.80 H new ATOM 0 HA GLU A 74 1.774 -3.062 -6.059 1.00 0.96 H new ATOM 0 HB2 GLU A 74 2.104 -0.713 -7.958 1.00 1.24 H new ATOM 0 HB3 GLU A 74 3.388 -1.842 -7.570 1.00 1.24 H new ATOM 0 HG2 GLU A 74 2.080 -3.703 -8.497 1.00 1.49 H new ATOM 0 HG3 GLU A 74 0.725 -2.634 -8.801 1.00 1.49 H new ATOM 1210 N ALA A 75 2.399 -1.765 -4.008 1.00 1.06 N ATOM 1211 CA ALA A 75 2.944 -1.133 -2.801 1.00 1.12 C ATOM 1212 C ALA A 75 4.072 -0.173 -3.090 1.00 1.43 C ATOM 1213 O ALA A 75 4.045 0.966 -2.623 1.00 1.80 O ATOM 1214 CB ALA A 75 3.430 -2.190 -1.833 1.00 1.02 C ATOM 0 H ALA A 75 2.042 -2.705 -3.838 1.00 1.06 H new ATOM 0 HA ALA A 75 2.129 -0.557 -2.363 1.00 1.12 H new ATOM 0 HB1 ALA A 75 3.832 -1.709 -0.941 1.00 1.02 H new ATOM 0 HB2 ALA A 75 2.599 -2.837 -1.553 1.00 1.02 H new ATOM 0 HB3 ALA A 75 4.210 -2.786 -2.307 1.00 1.02 H new ATOM 1220 N TYR A 76 5.068 -0.606 -3.850 1.00 1.71 N ATOM 1221 CA TYR A 76 6.172 0.287 -4.108 1.00 2.10 C ATOM 1222 C TYR A 76 6.902 0.050 -5.429 1.00 2.93 C ATOM 1223 O TYR A 76 7.262 -1.075 -5.786 1.00 3.37 O ATOM 1224 CB TYR A 76 7.147 0.282 -2.935 1.00 2.06 C ATOM 1225 CG TYR A 76 7.464 1.688 -2.518 1.00 2.42 C ATOM 1226 CD1 TYR A 76 7.714 2.709 -3.432 1.00 3.02 C ATOM 1227 CD2 TYR A 76 7.573 1.975 -1.170 1.00 2.63 C ATOM 1228 CE1 TYR A 76 8.057 3.962 -2.987 1.00 3.55 C ATOM 1229 CE2 TYR A 76 7.900 3.216 -0.727 1.00 3.23 C ATOM 1230 CZ TYR A 76 7.948 4.325 -1.879 1.00 3.62 C ATOM 1231 OH TYR A 76 8.475 5.448 -1.170 1.00 4.28 O ATOM 0 H TYR A 76 5.130 -1.529 -4.279 1.00 1.71 H new ATOM 0 HA TYR A 76 5.724 1.275 -4.214 1.00 2.10 H new ATOM 0 HB2 TYR A 76 6.716 -0.265 -2.097 1.00 2.06 H new ATOM 0 HB3 TYR A 76 8.063 -0.237 -3.217 1.00 2.06 H new ATOM 0 HD1 TYR A 76 7.638 2.515 -4.492 1.00 3.02 H new ATOM 0 HD2 TYR A 76 7.393 1.191 -0.450 1.00 2.63 H new ATOM 0 HE1 TYR A 76 8.455 4.661 -3.708 1.00 3.55 H new ATOM 0 HE2 TYR A 76 8.109 3.435 0.310 1.00 3.23 H new ATOM 0 HH TYR A 76 8.600 6.197 -1.790 1.00 4.28 H new ATOM 1383 N CYS A 85 15.312 4.965 4.121 1.00 2.66 N ATOM 1384 CA CYS A 85 16.263 3.899 3.844 1.00 3.24 C ATOM 1385 C CYS A 85 16.174 3.543 2.394 1.00 3.77 C ATOM 1386 O CYS A 85 17.078 3.793 1.594 1.00 4.31 O ATOM 1387 CB CYS A 85 16.057 2.646 4.702 1.00 3.79 C ATOM 1388 SG CYS A 85 17.168 1.259 4.260 1.00 4.64 S ATOM 0 HA CYS A 85 17.253 4.276 4.100 1.00 3.24 H new ATOM 0 HB2 CYS A 85 16.212 2.904 5.749 1.00 3.79 H new ATOM 0 HB3 CYS A 85 15.023 2.316 4.605 1.00 3.79 H new ATOM 0 HG CYS A 85 16.926 0.245 5.036 1.00 4.64 H new ATOM 1393 N GLY A 86 15.069 2.960 2.086 1.00 4.00 N ATOM 1394 CA GLY A 86 14.758 2.627 0.724 1.00 4.75 C ATOM 1395 C GLY A 86 13.738 3.555 0.101 1.00 4.42 C ATOM 1396 O GLY A 86 13.985 4.141 -0.954 1.00 5.13 O ATOM 0 H GLY A 86 14.352 2.698 2.762 1.00 4.00 H new ATOM 0 HA2 GLY A 86 15.673 2.654 0.132 1.00 4.75 H new ATOM 0 HA3 GLY A 86 14.382 1.605 0.684 1.00 4.75 H new ATOM 1400 N LYS A 87 12.596 3.721 0.775 1.00 3.51 N ATOM 1401 CA LYS A 87 11.403 4.286 0.146 1.00 3.25 C ATOM 1402 C LYS A 87 10.405 4.817 1.204 1.00 2.57 C ATOM 1403 O LYS A 87 10.585 4.564 2.389 1.00 2.57 O ATOM 1404 CB LYS A 87 10.736 3.192 -0.701 1.00 3.54 C ATOM 1405 CG LYS A 87 11.595 2.615 -1.821 1.00 4.49 C ATOM 1406 CD LYS A 87 10.866 1.535 -2.600 1.00 5.19 C ATOM 1407 CE LYS A 87 11.688 1.051 -3.785 1.00 6.18 C ATOM 1408 NZ LYS A 87 12.939 0.368 -3.359 1.00 6.95 N ATOM 0 H LYS A 87 12.475 3.471 1.757 1.00 3.51 H new ATOM 0 HA LYS A 87 11.696 5.128 -0.481 1.00 3.25 H new ATOM 0 HB2 LYS A 87 10.436 2.378 -0.041 1.00 3.54 H new ATOM 0 HB3 LYS A 87 9.825 3.600 -1.139 1.00 3.54 H new ATOM 0 HG2 LYS A 87 11.890 3.415 -2.500 1.00 4.49 H new ATOM 0 HG3 LYS A 87 12.511 2.201 -1.399 1.00 4.49 H new ATOM 0 HD2 LYS A 87 10.646 0.695 -1.941 1.00 5.19 H new ATOM 0 HD3 LYS A 87 9.910 1.922 -2.953 1.00 5.19 H new ATOM 0 HE2 LYS A 87 11.089 0.367 -4.386 1.00 6.18 H new ATOM 0 HE3 LYS A 87 11.938 1.899 -4.422 1.00 6.18 H new ATOM 0 HZ1 LYS A 87 13.235 -0.305 -4.095 1.00 6.95 H new ATOM 0 HZ2 LYS A 87 13.688 1.075 -3.215 1.00 6.95 H new ATOM 0 HZ3 LYS A 87 12.770 -0.144 -2.470 1.00 6.95 H new ATOM 1422 N ARG A 88 9.360 5.548 0.770 1.00 2.48 N ATOM 1423 CA ARG A 88 8.324 6.085 1.682 1.00 2.17 C ATOM 1424 C ARG A 88 6.964 6.258 0.962 1.00 1.70 C ATOM 1425 O ARG A 88 6.814 7.171 0.146 1.00 2.18 O ATOM 1426 CB ARG A 88 8.764 7.448 2.207 1.00 3.14 C ATOM 1427 CG ARG A 88 7.944 7.947 3.381 1.00 3.80 C ATOM 1428 CD ARG A 88 8.152 9.434 3.623 1.00 4.78 C ATOM 1429 NE ARG A 88 9.561 9.786 3.800 1.00 5.43 N ATOM 1430 CZ ARG A 88 9.974 10.906 4.392 1.00 6.34 C ATOM 1431 NH1 ARG A 88 9.089 11.758 4.896 1.00 6.69 N ATOM 1432 NH2 ARG A 88 11.270 11.172 4.483 1.00 7.15 N ATOM 0 H ARG A 88 9.208 5.783 -0.211 1.00 2.48 H new ATOM 0 HA ARG A 88 8.202 5.373 2.498 1.00 2.17 H new ATOM 0 HB2 ARG A 88 9.811 7.391 2.505 1.00 3.14 H new ATOM 0 HB3 ARG A 88 8.702 8.176 1.398 1.00 3.14 H new ATOM 0 HG2 ARG A 88 6.888 7.753 3.195 1.00 3.80 H new ATOM 0 HG3 ARG A 88 8.217 7.391 4.278 1.00 3.80 H new ATOM 0 HD2 ARG A 88 7.745 9.995 2.782 1.00 4.78 H new ATOM 0 HD3 ARG A 88 7.592 9.736 4.509 1.00 4.78 H new ATOM 0 HE ARG A 88 10.267 9.138 3.451 1.00 5.43 H new ATOM 0 HH11 ARG A 88 8.091 11.556 4.830 1.00 6.69 H new ATOM 0 HH12 ARG A 88 9.407 12.615 5.349 1.00 6.69 H new ATOM 0 HH21 ARG A 88 11.953 10.519 4.099 1.00 7.15 H new ATOM 0 HH22 ARG A 88 11.584 12.030 4.937 1.00 7.15 H new ATOM 1446 N TYR A 89 5.962 5.430 1.282 1.00 1.34 N ATOM 1447 CA TYR A 89 4.692 5.451 0.521 1.00 1.31 C ATOM 1448 C TYR A 89 3.454 5.153 1.377 1.00 1.05 C ATOM 1449 O TYR A 89 3.533 4.445 2.383 1.00 1.43 O ATOM 1450 CB TYR A 89 4.752 4.425 -0.610 1.00 2.13 C ATOM 1451 CG TYR A 89 4.536 4.987 -2.000 1.00 2.67 C ATOM 1452 CD1 TYR A 89 4.047 4.176 -3.013 1.00 3.40 C ATOM 1453 CD2 TYR A 89 4.828 6.312 -2.306 1.00 2.94 C ATOM 1454 CE1 TYR A 89 3.856 4.663 -4.288 1.00 4.21 C ATOM 1455 CE2 TYR A 89 4.634 6.806 -3.580 1.00 3.68 C ATOM 1456 CZ TYR A 89 4.150 5.979 -4.566 1.00 4.27 C ATOM 1457 OH TYR A 89 3.958 6.471 -5.835 1.00 5.18 O ATOM 0 H TYR A 89 5.995 4.750 2.042 1.00 1.34 H new ATOM 0 HA TYR A 89 4.588 6.466 0.138 1.00 1.31 H new ATOM 0 HB2 TYR A 89 5.724 3.932 -0.581 1.00 2.13 H new ATOM 0 HB3 TYR A 89 4.000 3.658 -0.424 1.00 2.13 H new ATOM 0 HD1 TYR A 89 3.812 3.144 -2.799 1.00 3.40 H new ATOM 0 HD2 TYR A 89 5.212 6.964 -1.535 1.00 2.94 H new ATOM 0 HE1 TYR A 89 3.478 4.016 -5.065 1.00 4.21 H new ATOM 0 HE2 TYR A 89 4.862 7.838 -3.802 1.00 3.68 H new ATOM 0 HH TYR A 89 3.036 6.790 -5.926 1.00 5.18 H new ATOM 1467 N GLU A 90 2.312 5.712 0.955 1.00 0.79 N ATOM 1468 CA GLU A 90 1.008 5.396 1.511 1.00 0.71 C ATOM 1469 C GLU A 90 0.015 5.129 0.380 1.00 0.53 C ATOM 1470 O GLU A 90 -0.029 5.867 -0.602 1.00 0.63 O ATOM 1471 CB GLU A 90 0.511 6.567 2.371 1.00 1.07 C ATOM 1472 CG GLU A 90 -1.004 6.660 2.490 1.00 1.28 C ATOM 1473 CD GLU A 90 -1.450 7.873 3.276 1.00 1.79 C ATOM 1474 OE1 GLU A 90 -1.984 8.820 2.661 1.00 2.09 O ATOM 1475 OE2 GLU A 90 -1.274 7.888 4.510 1.00 2.07 O ATOM 0 H GLU A 90 2.277 6.405 0.207 1.00 0.79 H new ATOM 0 HA GLU A 90 1.091 4.505 2.133 1.00 0.71 H new ATOM 0 HB2 GLU A 90 0.937 6.475 3.370 1.00 1.07 H new ATOM 0 HB3 GLU A 90 0.888 7.498 1.948 1.00 1.07 H new ATOM 0 HG2 GLU A 90 -1.442 6.696 1.493 1.00 1.28 H new ATOM 0 HG3 GLU A 90 -1.383 5.759 2.972 1.00 1.28 H new ATOM 1482 N LEU A 91 -0.756 4.063 0.503 1.00 0.50 N ATOM 1483 CA LEU A 91 -1.872 3.828 -0.400 1.00 0.43 C ATOM 1484 C LEU A 91 -3.134 3.838 0.424 1.00 0.43 C ATOM 1485 O LEU A 91 -3.216 3.172 1.453 1.00 0.57 O ATOM 1486 CB LEU A 91 -1.770 2.497 -1.158 1.00 0.50 C ATOM 1487 CG LEU A 91 -0.474 1.694 -0.946 1.00 0.93 C ATOM 1488 CD1 LEU A 91 -0.604 0.304 -1.538 1.00 1.82 C ATOM 1489 CD2 LEU A 91 0.717 2.402 -1.580 1.00 1.02 C ATOM 0 H LEU A 91 -0.631 3.346 1.218 1.00 0.50 H new ATOM 0 HA LEU A 91 -1.868 4.613 -1.156 1.00 0.43 H new ATOM 0 HB2 LEU A 91 -2.613 1.871 -0.866 1.00 0.50 H new ATOM 0 HB3 LEU A 91 -1.877 2.700 -2.224 1.00 0.50 H new ATOM 0 HG LEU A 91 -0.308 1.615 0.128 1.00 0.93 H new ATOM 0 HD11 LEU A 91 0.322 -0.248 -1.378 1.00 1.82 H new ATOM 0 HD12 LEU A 91 -1.428 -0.222 -1.055 1.00 1.82 H new ATOM 0 HD13 LEU A 91 -0.800 0.381 -2.607 1.00 1.82 H new ATOM 0 HD21 LEU A 91 1.620 1.814 -1.416 1.00 1.02 H new ATOM 0 HD22 LEU A 91 0.546 2.513 -2.651 1.00 1.02 H new ATOM 0 HD23 LEU A 91 0.838 3.386 -1.128 1.00 1.02 H new ATOM 1501 N SER A 92 -4.111 4.597 -0.002 1.00 0.43 N ATOM 1502 CA SER A 92 -5.309 4.747 0.783 1.00 0.48 C ATOM 1503 C SER A 92 -6.538 4.606 -0.067 1.00 0.43 C ATOM 1504 O SER A 92 -6.655 5.209 -1.132 1.00 0.51 O ATOM 1505 CB SER A 92 -5.298 6.096 1.505 1.00 0.59 C ATOM 1506 OG SER A 92 -4.983 7.158 0.617 1.00 1.23 O ATOM 0 H SER A 92 -4.102 5.116 -0.880 1.00 0.43 H new ATOM 0 HA SER A 92 -5.333 3.951 1.528 1.00 0.48 H new ATOM 0 HB2 SER A 92 -6.273 6.276 1.958 1.00 0.59 H new ATOM 0 HB3 SER A 92 -4.570 6.070 2.316 1.00 0.59 H new ATOM 0 HG SER A 92 -4.986 8.006 1.108 1.00 1.23 H new ATOM 1512 N ALA A 93 -7.446 3.792 0.410 1.00 0.52 N ATOM 1513 CA ALA A 93 -8.687 3.585 -0.267 1.00 0.54 C ATOM 1514 C ALA A 93 -9.622 4.701 0.058 1.00 0.62 C ATOM 1515 O ALA A 93 -10.252 4.723 1.099 1.00 0.83 O ATOM 1516 CB ALA A 93 -9.270 2.269 0.114 1.00 0.66 C ATOM 0 H ALA A 93 -7.340 3.260 1.274 1.00 0.52 H new ATOM 0 HA ALA A 93 -8.517 3.575 -1.344 1.00 0.54 H new ATOM 0 HB1 ALA A 93 -10.215 2.125 -0.409 1.00 0.66 H new ATOM 0 HB2 ALA A 93 -8.579 1.472 -0.159 1.00 0.66 H new ATOM 0 HB3 ALA A 93 -9.444 2.246 1.190 1.00 0.66 H new ATOM 1522 N ARG A 94 -9.691 5.623 -0.838 1.00 0.91 N ATOM 1523 CA ARG A 94 -10.352 6.880 -0.560 1.00 1.26 C ATOM 1524 C ARG A 94 -11.619 7.044 -1.307 1.00 0.70 C ATOM 1525 O ARG A 94 -11.843 6.458 -2.361 1.00 1.17 O ATOM 1526 CB ARG A 94 -9.422 8.061 -0.836 1.00 2.35 C ATOM 1527 CG ARG A 94 -8.929 8.743 0.422 1.00 3.37 C ATOM 1528 CD ARG A 94 -7.991 9.893 0.115 1.00 4.38 C ATOM 1529 NE ARG A 94 -7.658 10.654 1.319 1.00 5.11 N ATOM 1530 CZ ARG A 94 -6.490 11.262 1.520 1.00 6.01 C ATOM 1531 NH1 ARG A 94 -5.520 11.169 0.617 1.00 6.36 N ATOM 1532 NH2 ARG A 94 -6.286 11.954 2.632 1.00 6.80 N ATOM 0 H ARG A 94 -9.301 5.543 -1.777 1.00 0.91 H new ATOM 0 HA ARG A 94 -10.605 6.862 0.500 1.00 1.26 H new ATOM 0 HB2 ARG A 94 -8.565 7.712 -1.411 1.00 2.35 H new ATOM 0 HB3 ARG A 94 -9.946 8.790 -1.454 1.00 2.35 H new ATOM 0 HG2 ARG A 94 -9.782 9.113 0.992 1.00 3.37 H new ATOM 0 HG3 ARG A 94 -8.417 8.016 1.052 1.00 3.37 H new ATOM 0 HD2 ARG A 94 -7.077 9.507 -0.336 1.00 4.38 H new ATOM 0 HD3 ARG A 94 -8.453 10.554 -0.618 1.00 4.38 H new ATOM 0 HE ARG A 94 -8.365 10.723 2.051 1.00 5.11 H new ATOM 0 HH11 ARG A 94 -5.667 10.630 -0.236 1.00 6.36 H new ATOM 0 HH12 ARG A 94 -4.628 11.637 0.777 1.00 6.36 H new ATOM 0 HH21 ARG A 94 -7.023 12.021 3.334 1.00 6.80 H new ATOM 0 HH22 ARG A 94 -5.392 12.420 2.786 1.00 6.80 H new ATOM 1546 N MET A 95 -12.442 7.803 -0.628 1.00 0.84 N ATOM 1547 CA MET A 95 -13.717 8.308 -1.075 1.00 1.41 C ATOM 1548 C MET A 95 -13.961 8.113 -2.578 1.00 1.48 C ATOM 1549 O MET A 95 -14.936 7.477 -2.975 1.00 2.12 O ATOM 1550 CB MET A 95 -13.781 9.794 -0.702 1.00 2.09 C ATOM 1551 CG MET A 95 -13.094 10.112 0.631 1.00 2.32 C ATOM 1552 SD MET A 95 -13.056 11.872 1.013 1.00 3.26 S ATOM 1553 CE MET A 95 -14.804 12.211 1.203 1.00 3.27 C ATOM 0 H MET A 95 -12.223 8.106 0.321 1.00 0.84 H new ATOM 0 HA MET A 95 -14.506 7.740 -0.583 1.00 1.41 H new ATOM 0 HB2 MET A 95 -13.314 10.381 -1.493 1.00 2.09 H new ATOM 0 HB3 MET A 95 -14.825 10.104 -0.649 1.00 2.09 H new ATOM 0 HG2 MET A 95 -13.611 9.585 1.433 1.00 2.32 H new ATOM 0 HG3 MET A 95 -12.073 9.731 0.605 1.00 2.32 H new ATOM 0 HE1 MET A 95 -14.965 12.792 2.111 1.00 3.27 H new ATOM 0 HE2 MET A 95 -15.160 12.777 0.342 1.00 3.27 H new ATOM 0 HE3 MET A 95 -15.352 11.271 1.271 1.00 3.27 H new ATOM 1563 N ASP A 96 -13.075 8.660 -3.407 1.00 1.26 N ATOM 1564 CA ASP A 96 -13.180 8.486 -4.854 1.00 1.45 C ATOM 1565 C ASP A 96 -12.394 7.264 -5.330 1.00 1.30 C ATOM 1566 O ASP A 96 -12.981 6.296 -5.816 1.00 1.97 O ATOM 1567 CB ASP A 96 -12.702 9.739 -5.591 1.00 1.76 C ATOM 1568 CG ASP A 96 -13.688 10.883 -5.477 1.00 2.34 C ATOM 1569 OD1 ASP A 96 -14.637 10.942 -6.284 1.00 2.78 O ATOM 1570 OD2 ASP A 96 -13.515 11.737 -4.581 1.00 2.86 O ATOM 0 H ASP A 96 -12.281 9.224 -3.104 1.00 1.26 H new ATOM 0 HA ASP A 96 -14.233 8.324 -5.085 1.00 1.45 H new ATOM 0 HB2 ASP A 96 -11.739 10.051 -5.187 1.00 1.76 H new ATOM 0 HB3 ASP A 96 -12.544 9.501 -6.643 1.00 1.76 H new ATOM 1575 N ALA A 97 -11.073 7.298 -5.174 1.00 0.84 N ATOM 1576 CA ALA A 97 -10.211 6.214 -5.642 1.00 0.62 C ATOM 1577 C ALA A 97 -9.128 5.903 -4.628 1.00 0.60 C ATOM 1578 O ALA A 97 -9.029 6.532 -3.576 1.00 0.92 O ATOM 1579 CB ALA A 97 -9.560 6.563 -6.981 1.00 0.55 C ATOM 0 H ALA A 97 -10.574 8.067 -4.726 1.00 0.84 H new ATOM 0 HA ALA A 97 -10.843 5.336 -5.772 1.00 0.62 H new ATOM 0 HB1 ALA A 97 -8.925 5.738 -7.303 1.00 0.55 H new ATOM 0 HB2 ALA A 97 -10.335 6.738 -7.728 1.00 0.55 H new ATOM 0 HB3 ALA A 97 -8.956 7.463 -6.868 1.00 0.55 H new ATOM 1585 N ILE A 98 -8.320 4.930 -4.982 1.00 0.39 N ATOM 1586 CA ILE A 98 -7.181 4.515 -4.197 1.00 0.34 C ATOM 1587 C ILE A 98 -6.008 5.445 -4.467 1.00 0.32 C ATOM 1588 O ILE A 98 -5.598 5.634 -5.618 1.00 0.35 O ATOM 1589 CB ILE A 98 -6.808 3.062 -4.556 1.00 0.37 C ATOM 1590 CG1 ILE A 98 -7.921 2.123 -4.084 1.00 0.46 C ATOM 1591 CG2 ILE A 98 -5.444 2.665 -3.943 1.00 0.38 C ATOM 1592 CD1 ILE A 98 -7.728 1.630 -2.686 1.00 0.50 C ATOM 0 H ILE A 98 -8.439 4.394 -5.842 1.00 0.39 H new ATOM 0 HA ILE A 98 -7.430 4.563 -3.137 1.00 0.34 H new ATOM 0 HB ILE A 98 -6.707 2.979 -5.638 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -8.877 2.643 -4.149 1.00 0.46 H new ATOM 0 HG13 ILE A 98 -7.976 1.269 -4.758 1.00 0.46 H new ATOM 0 HG21 ILE A 98 -5.209 1.636 -4.214 1.00 0.38 H new ATOM 0 HG22 ILE A 98 -4.667 3.327 -4.325 1.00 0.38 H new ATOM 0 HG23 ILE A 98 -5.494 2.752 -2.858 1.00 0.38 H new ATOM 0 HD11 ILE A 98 -8.552 0.970 -2.416 1.00 0.50 H new ATOM 0 HD12 ILE A 98 -6.788 1.082 -2.620 1.00 0.50 H new ATOM 0 HD13 ILE A 98 -7.703 2.478 -2.001 1.00 0.50 H new ATOM 1604 N TYR A 99 -5.492 6.043 -3.412 1.00 0.40 N ATOM 1605 CA TYR A 99 -4.368 6.961 -3.535 1.00 0.53 C ATOM 1606 C TYR A 99 -3.062 6.194 -3.471 1.00 0.63 C ATOM 1607 O TYR A 99 -2.993 5.127 -2.865 1.00 0.86 O ATOM 1608 CB TYR A 99 -4.418 8.046 -2.460 1.00 0.79 C ATOM 1609 CG TYR A 99 -5.337 9.198 -2.809 1.00 1.11 C ATOM 1610 CD1 TYR A 99 -6.661 8.979 -3.171 1.00 1.77 C ATOM 1611 CD2 TYR A 99 -4.875 10.506 -2.782 1.00 1.50 C ATOM 1612 CE1 TYR A 99 -7.495 10.031 -3.498 1.00 2.60 C ATOM 1613 CE2 TYR A 99 -5.703 11.563 -3.105 1.00 2.26 C ATOM 1614 CZ TYR A 99 -7.010 11.320 -3.463 1.00 2.77 C ATOM 1615 OH TYR A 99 -7.835 12.372 -3.787 1.00 3.67 O ATOM 0 H TYR A 99 -5.830 5.913 -2.459 1.00 0.40 H new ATOM 0 HA TYR A 99 -4.435 7.458 -4.503 1.00 0.53 H new ATOM 0 HB2 TYR A 99 -4.746 7.601 -1.521 1.00 0.79 H new ATOM 0 HB3 TYR A 99 -3.412 8.431 -2.296 1.00 0.79 H new ATOM 0 HD1 TYR A 99 -7.044 7.970 -3.197 1.00 1.77 H new ATOM 0 HD2 TYR A 99 -3.850 10.701 -2.504 1.00 1.50 H new ATOM 0 HE1 TYR A 99 -8.521 9.844 -3.779 1.00 2.60 H new ATOM 0 HE2 TYR A 99 -5.327 12.575 -3.077 1.00 2.26 H new ATOM 0 HH TYR A 99 -7.338 13.213 -3.711 1.00 3.67 H new ATOM 1625 N PHE A 100 -2.039 6.739 -4.103 1.00 0.72 N ATOM 1626 CA PHE A 100 -0.795 6.016 -4.304 1.00 0.91 C ATOM 1627 C PHE A 100 0.406 6.924 -4.044 1.00 1.25 C ATOM 1628 O PHE A 100 1.310 7.029 -4.867 1.00 1.90 O ATOM 1629 CB PHE A 100 -0.787 5.487 -5.741 1.00 1.20 C ATOM 1630 CG PHE A 100 0.309 4.515 -6.059 1.00 1.73 C ATOM 1631 CD1 PHE A 100 1.203 4.772 -7.080 1.00 2.22 C ATOM 1632 CD2 PHE A 100 0.455 3.353 -5.318 1.00 2.19 C ATOM 1633 CE1 PHE A 100 2.224 3.888 -7.360 1.00 2.83 C ATOM 1634 CE2 PHE A 100 1.471 2.465 -5.595 1.00 2.91 C ATOM 1635 CZ PHE A 100 2.316 2.706 -6.680 1.00 3.12 C ATOM 0 H PHE A 100 -2.045 7.684 -4.488 1.00 0.72 H new ATOM 0 HA PHE A 100 -0.723 5.185 -3.603 1.00 0.91 H new ATOM 0 HB2 PHE A 100 -1.745 5.007 -5.939 1.00 1.20 H new ATOM 0 HB3 PHE A 100 -0.708 6.334 -6.422 1.00 1.20 H new ATOM 0 HD1 PHE A 100 1.102 5.674 -7.665 1.00 2.22 H new ATOM 0 HD2 PHE A 100 -0.235 3.141 -4.515 1.00 2.19 H new ATOM 0 HE1 PHE A 100 2.953 4.131 -8.119 1.00 2.83 H new ATOM 0 HE2 PHE A 100 1.613 1.590 -4.978 1.00 2.91 H new ATOM 0 HZ PHE A 100 3.039 1.962 -6.981 1.00 3.12 H new ATOM 1645 N LYS A 101 0.386 7.625 -2.919 1.00 1.07 N ATOM 1646 CA LYS A 101 1.495 8.493 -2.545 1.00 1.43 C ATOM 1647 C LYS A 101 1.569 8.683 -1.033 1.00 1.37 C ATOM 1648 O LYS A 101 0.569 8.563 -0.334 1.00 1.55 O ATOM 1649 CB LYS A 101 1.388 9.846 -3.253 1.00 2.06 C ATOM 1650 CG LYS A 101 2.465 10.051 -4.310 1.00 2.92 C ATOM 1651 CD LYS A 101 2.287 11.362 -5.055 1.00 3.76 C ATOM 1652 CE LYS A 101 3.471 11.655 -5.968 1.00 4.58 C ATOM 1653 NZ LYS A 101 3.738 10.548 -6.926 1.00 5.15 N ATOM 0 H LYS A 101 -0.384 7.610 -2.250 1.00 1.07 H new ATOM 0 HA LYS A 101 2.417 8.007 -2.865 1.00 1.43 H new ATOM 0 HB2 LYS A 101 0.407 9.928 -3.721 1.00 2.06 H new ATOM 0 HB3 LYS A 101 1.456 10.643 -2.513 1.00 2.06 H new ATOM 0 HG2 LYS A 101 3.446 10.033 -3.836 1.00 2.92 H new ATOM 0 HG3 LYS A 101 2.439 9.224 -5.020 1.00 2.92 H new ATOM 0 HD2 LYS A 101 1.372 11.324 -5.646 1.00 3.76 H new ATOM 0 HD3 LYS A 101 2.170 12.175 -4.339 1.00 3.76 H new ATOM 0 HE2 LYS A 101 3.279 12.573 -6.523 1.00 4.58 H new ATOM 0 HE3 LYS A 101 4.360 11.829 -5.361 1.00 4.58 H new ATOM 0 HZ1 LYS A 101 4.461 10.848 -7.611 1.00 5.15 H new ATOM 0 HZ2 LYS A 101 4.079 9.714 -6.407 1.00 5.15 H new ATOM 0 HZ3 LYS A 101 2.861 10.307 -7.431 1.00 5.15 H new ATOM 1667 N MET A 102 2.770 8.935 -0.531 1.00 1.76 N ATOM 1668 CA MET A 102 2.955 9.323 0.864 1.00 2.21 C ATOM 1669 C MET A 102 2.704 10.815 1.015 1.00 2.42 C ATOM 1670 O MET A 102 3.176 11.608 0.197 1.00 2.62 O ATOM 1671 CB MET A 102 4.374 8.988 1.328 1.00 2.82 C ATOM 1672 CG MET A 102 4.761 9.646 2.645 1.00 3.61 C ATOM 1673 SD MET A 102 3.713 9.148 4.024 1.00 4.57 S ATOM 1674 CE MET A 102 4.086 7.400 4.133 1.00 5.14 C ATOM 0 H MET A 102 3.634 8.878 -1.069 1.00 1.76 H new ATOM 0 HA MET A 102 2.247 8.770 1.480 1.00 2.21 H new ATOM 0 HB2 MET A 102 4.467 7.907 1.432 1.00 2.82 H new ATOM 0 HB3 MET A 102 5.081 9.296 0.557 1.00 2.82 H new ATOM 0 HG2 MET A 102 5.797 9.398 2.877 1.00 3.61 H new ATOM 0 HG3 MET A 102 4.710 10.729 2.531 1.00 3.61 H new ATOM 0 HE1 MET A 102 3.198 6.822 3.878 1.00 5.14 H new ATOM 0 HE2 MET A 102 4.890 7.156 3.439 1.00 5.14 H new ATOM 0 HE3 MET A 102 4.397 7.157 5.149 1.00 5.14 H new ATOM 1684 N ASP A 103 1.970 11.206 2.051 1.00 2.92 N ATOM 1685 CA ASP A 103 1.657 12.612 2.239 1.00 3.46 C ATOM 1686 C ASP A 103 2.835 13.353 2.841 1.00 3.62 C ATOM 1687 O ASP A 103 3.541 12.845 3.718 1.00 3.77 O ATOM 1688 CB ASP A 103 0.402 12.830 3.084 1.00 4.39 C ATOM 1689 CG ASP A 103 0.639 12.663 4.571 1.00 5.03 C ATOM 1690 OD1 ASP A 103 0.654 11.509 5.047 1.00 5.64 O ATOM 1691 OD2 ASP A 103 0.790 13.687 5.273 1.00 5.25 O ATOM 0 H ASP A 103 1.588 10.580 2.760 1.00 2.92 H new ATOM 0 HA ASP A 103 1.450 13.018 1.249 1.00 3.46 H new ATOM 0 HB2 ASP A 103 0.016 13.832 2.896 1.00 4.39 H new ATOM 0 HB3 ASP A 103 -0.368 12.127 2.765 1.00 4.39 H new ATOM 1696 N GLU A 104 2.982 14.573 2.355 1.00 4.02 N ATOM 1697 CA GLU A 104 4.156 15.408 2.519 1.00 4.43 C ATOM 1698 C GLU A 104 4.187 16.294 1.295 1.00 4.28 C ATOM 1699 O GLU A 104 4.634 17.439 1.311 1.00 4.73 O ATOM 1700 CB GLU A 104 5.421 14.565 2.571 1.00 4.95 C ATOM 1701 CG GLU A 104 6.706 15.357 2.756 1.00 5.34 C ATOM 1702 CD GLU A 104 6.754 16.107 4.073 1.00 6.03 C ATOM 1703 OE1 GLU A 104 7.267 15.543 5.066 1.00 6.26 O ATOM 1704 OE2 GLU A 104 6.291 17.263 4.123 1.00 6.61 O ATOM 0 H GLU A 104 2.250 15.029 1.810 1.00 4.02 H new ATOM 0 HA GLU A 104 4.112 15.976 3.448 1.00 4.43 H new ATOM 0 HB2 GLU A 104 5.331 13.849 3.388 1.00 4.95 H new ATOM 0 HB3 GLU A 104 5.495 13.989 1.649 1.00 4.95 H new ATOM 0 HG2 GLU A 104 7.557 14.678 2.700 1.00 5.34 H new ATOM 0 HG3 GLU A 104 6.810 16.067 1.936 1.00 5.34 H new ATOM 1711 N ARG A 105 3.647 15.713 0.237 1.00 3.93 N ATOM 1712 CA ARG A 105 3.567 16.320 -1.075 1.00 3.96 C ATOM 1713 C ARG A 105 2.220 15.925 -1.657 1.00 3.41 C ATOM 1714 O ARG A 105 1.725 14.844 -1.337 1.00 3.35 O ATOM 1715 CB ARG A 105 4.709 15.798 -1.956 1.00 4.49 C ATOM 1716 CG ARG A 105 6.082 15.989 -1.333 1.00 4.98 C ATOM 1717 CD ARG A 105 7.134 15.121 -2.000 1.00 5.81 C ATOM 1718 NE ARG A 105 8.410 15.176 -1.286 1.00 6.29 N ATOM 1719 CZ ARG A 105 8.989 14.128 -0.695 1.00 7.10 C ATOM 1720 NH1 ARG A 105 8.419 12.927 -0.744 1.00 7.50 N ATOM 1721 NH2 ARG A 105 10.141 14.282 -0.054 1.00 7.74 N ATOM 0 H ARG A 105 3.241 14.778 0.271 1.00 3.93 H new ATOM 0 HA ARG A 105 3.659 17.405 -1.021 1.00 3.96 H new ATOM 0 HB2 ARG A 105 4.551 14.738 -2.153 1.00 4.49 H new ATOM 0 HB3 ARG A 105 4.680 16.309 -2.918 1.00 4.49 H new ATOM 0 HG2 ARG A 105 6.373 17.036 -1.411 1.00 4.98 H new ATOM 0 HG3 ARG A 105 6.035 15.750 -0.271 1.00 4.98 H new ATOM 0 HD2 ARG A 105 6.783 14.090 -2.040 1.00 5.81 H new ATOM 0 HD3 ARG A 105 7.278 15.449 -3.029 1.00 5.81 H new ATOM 0 HE ARG A 105 8.889 16.075 -1.236 1.00 6.29 H new ATOM 0 HH11 ARG A 105 7.534 12.802 -1.235 1.00 7.50 H new ATOM 0 HH12 ARG A 105 8.867 12.131 -0.290 1.00 7.50 H new ATOM 0 HH21 ARG A 105 10.583 15.200 -0.013 1.00 7.74 H new ATOM 0 HH22 ARG A 105 10.584 13.482 0.398 1.00 7.74 H new ATOM 1735 N PRO A 106 1.599 16.779 -2.484 1.00 3.33 N ATOM 1736 CA PRO A 106 0.257 16.519 -3.017 1.00 3.10 C ATOM 1737 C PRO A 106 0.167 15.168 -3.724 1.00 2.43 C ATOM 1738 O PRO A 106 0.858 14.927 -4.716 1.00 2.29 O ATOM 1739 CB PRO A 106 0.025 17.665 -4.011 1.00 3.53 C ATOM 1740 CG PRO A 106 1.371 18.263 -4.245 1.00 4.00 C ATOM 1741 CD PRO A 106 2.143 18.049 -2.977 1.00 3.83 C ATOM 0 HA PRO A 106 -0.490 16.477 -2.225 1.00 3.10 H new ATOM 0 HB2 PRO A 106 -0.409 17.297 -4.941 1.00 3.53 H new ATOM 0 HB3 PRO A 106 -0.668 18.403 -3.606 1.00 3.53 H new ATOM 0 HG2 PRO A 106 1.868 17.787 -5.090 1.00 4.00 H new ATOM 0 HG3 PRO A 106 1.291 19.325 -4.479 1.00 4.00 H new ATOM 0 HD2 PRO A 106 3.216 17.987 -3.161 1.00 3.83 H new ATOM 0 HD3 PRO A 106 1.988 18.860 -2.266 1.00 3.83 H new ATOM 1749 N PRO A 107 -0.686 14.267 -3.210 1.00 2.31 N ATOM 1750 CA PRO A 107 -0.885 12.944 -3.786 1.00 1.85 C ATOM 1751 C PRO A 107 -1.917 12.960 -4.908 1.00 1.51 C ATOM 1752 O PRO A 107 -2.421 14.020 -5.284 1.00 1.80 O ATOM 1753 CB PRO A 107 -1.391 12.134 -2.595 1.00 2.23 C ATOM 1754 CG PRO A 107 -2.151 13.115 -1.768 1.00 2.91 C ATOM 1755 CD PRO A 107 -1.518 14.467 -2.007 1.00 2.93 C ATOM 0 HA PRO A 107 0.019 12.541 -4.242 1.00 1.85 H new ATOM 0 HB2 PRO A 107 -2.028 11.310 -2.918 1.00 2.23 H new ATOM 0 HB3 PRO A 107 -0.565 11.697 -2.033 1.00 2.23 H new ATOM 0 HG2 PRO A 107 -3.204 13.125 -2.050 1.00 2.91 H new ATOM 0 HG3 PRO A 107 -2.106 12.848 -0.712 1.00 2.91 H new ATOM 0 HD2 PRO A 107 -2.272 15.238 -2.167 1.00 2.93 H new ATOM 0 HD3 PRO A 107 -0.917 14.782 -1.154 1.00 2.93 H new ATOM 1763 N GLN A 108 -2.224 11.788 -5.444 1.00 1.09 N ATOM 1764 CA GLN A 108 -3.198 11.681 -6.517 1.00 0.94 C ATOM 1765 C GLN A 108 -3.848 10.304 -6.526 1.00 0.70 C ATOM 1766 O GLN A 108 -3.239 9.320 -6.099 1.00 0.64 O ATOM 1767 CB GLN A 108 -2.531 11.946 -7.869 1.00 1.18 C ATOM 1768 CG GLN A 108 -1.345 11.041 -8.157 1.00 1.72 C ATOM 1769 CD GLN A 108 -0.725 11.314 -9.512 1.00 2.15 C ATOM 1770 OE1 GLN A 108 -1.100 10.710 -10.515 1.00 2.57 O ATOM 1771 NE2 GLN A 108 0.223 12.231 -9.554 1.00 2.71 N ATOM 0 H GLN A 108 -1.813 10.901 -5.154 1.00 1.09 H new ATOM 0 HA GLN A 108 -3.971 12.430 -6.345 1.00 0.94 H new ATOM 0 HB2 GLN A 108 -3.271 11.821 -8.659 1.00 1.18 H new ATOM 0 HB3 GLN A 108 -2.200 12.984 -7.903 1.00 1.18 H new ATOM 0 HG2 GLN A 108 -0.591 11.177 -7.382 1.00 1.72 H new ATOM 0 HG3 GLN A 108 -1.666 10.000 -8.110 1.00 1.72 H new ATOM 0 HE21 GLN A 108 0.507 12.711 -8.700 1.00 2.71 H new ATOM 0 HE22 GLN A 108 0.672 12.460 -10.441 1.00 2.71 H new ATOM 1780 N PRO A 109 -5.111 10.234 -6.973 1.00 0.68 N ATOM 1781 CA PRO A 109 -5.799 8.965 -7.219 1.00 0.55 C ATOM 1782 C PRO A 109 -5.118 8.191 -8.339 1.00 0.56 C ATOM 1783 O PRO A 109 -4.988 8.697 -9.456 1.00 0.80 O ATOM 1784 CB PRO A 109 -7.206 9.390 -7.649 1.00 0.65 C ATOM 1785 CG PRO A 109 -7.351 10.796 -7.184 1.00 0.82 C ATOM 1786 CD PRO A 109 -5.979 11.389 -7.263 1.00 0.91 C ATOM 0 HA PRO A 109 -5.797 8.311 -6.347 1.00 0.55 H new ATOM 0 HB2 PRO A 109 -7.325 9.319 -8.730 1.00 0.65 H new ATOM 0 HB3 PRO A 109 -7.965 8.748 -7.202 1.00 0.65 H new ATOM 0 HG2 PRO A 109 -8.053 11.346 -7.811 1.00 0.82 H new ATOM 0 HG3 PRO A 109 -7.737 10.834 -6.165 1.00 0.82 H new ATOM 0 HD2 PRO A 109 -5.776 11.811 -8.247 1.00 0.91 H new ATOM 0 HD3 PRO A 109 -5.842 12.191 -6.538 1.00 0.91 H new ATOM 1794 N LEU A 110 -4.674 6.978 -8.049 1.00 0.49 N ATOM 1795 CA LEU A 110 -3.896 6.224 -9.020 1.00 0.61 C ATOM 1796 C LEU A 110 -4.454 4.819 -9.204 1.00 0.51 C ATOM 1797 O LEU A 110 -4.039 4.085 -10.102 1.00 0.62 O ATOM 1798 CB LEU A 110 -2.433 6.171 -8.563 1.00 0.83 C ATOM 1799 CG LEU A 110 -1.352 6.286 -9.657 1.00 1.22 C ATOM 1800 CD1 LEU A 110 -1.258 5.018 -10.490 1.00 1.89 C ATOM 1801 CD2 LEU A 110 -1.616 7.487 -10.553 1.00 1.61 C ATOM 0 H LEU A 110 -4.836 6.500 -7.163 1.00 0.49 H new ATOM 0 HA LEU A 110 -3.956 6.726 -9.986 1.00 0.61 H new ATOM 0 HB2 LEU A 110 -2.274 6.974 -7.844 1.00 0.83 H new ATOM 0 HB3 LEU A 110 -2.278 5.232 -8.031 1.00 0.83 H new ATOM 0 HG LEU A 110 -0.395 6.427 -9.154 1.00 1.22 H new ATOM 0 HD11 LEU A 110 -0.486 5.138 -11.250 1.00 1.89 H new ATOM 0 HD12 LEU A 110 -1.005 4.177 -9.845 1.00 1.89 H new ATOM 0 HD13 LEU A 110 -2.216 4.829 -10.974 1.00 1.89 H new ATOM 0 HD21 LEU A 110 -0.841 7.548 -11.317 1.00 1.61 H new ATOM 0 HD22 LEU A 110 -2.589 7.377 -11.031 1.00 1.61 H new ATOM 0 HD23 LEU A 110 -1.607 8.397 -9.953 1.00 1.61 H new ATOM 1813 N ASN A 111 -5.422 4.452 -8.388 1.00 0.42 N ATOM 1814 CA ASN A 111 -5.992 3.125 -8.464 1.00 0.48 C ATOM 1815 C ASN A 111 -7.394 3.231 -7.957 1.00 0.42 C ATOM 1816 O ASN A 111 -7.763 4.271 -7.438 1.00 0.50 O ATOM 1817 CB ASN A 111 -5.182 2.107 -7.646 1.00 0.60 C ATOM 1818 CG ASN A 111 -5.295 0.707 -8.206 1.00 1.17 C ATOM 1819 OD1 ASN A 111 -5.527 0.519 -9.399 1.00 1.86 O ATOM 1820 ND2 ASN A 111 -5.116 -0.282 -7.354 1.00 1.75 N ATOM 0 H ASN A 111 -5.827 5.051 -7.669 1.00 0.42 H new ATOM 0 HA ASN A 111 -5.973 2.762 -9.492 1.00 0.48 H new ATOM 0 HB2 ASN A 111 -4.134 2.407 -7.630 1.00 0.60 H new ATOM 0 HB3 ASN A 111 -5.531 2.113 -6.613 1.00 0.60 H new ATOM 0 HD21 ASN A 111 -5.168 -1.248 -7.676 1.00 1.75 H new ATOM 0 HD22 ASN A 111 -4.926 -0.081 -6.372 1.00 1.75 H new ATOM 1827 N LYS A 112 -8.195 2.214 -8.112 1.00 0.59 N ATOM 1828 CA LYS A 112 -9.558 2.332 -7.710 1.00 0.60 C ATOM 1829 C LYS A 112 -10.097 1.063 -7.117 1.00 0.72 C ATOM 1830 O LYS A 112 -9.987 -0.016 -7.697 1.00 0.84 O ATOM 1831 CB LYS A 112 -10.418 2.747 -8.885 1.00 0.72 C ATOM 1832 CG LYS A 112 -10.359 1.825 -10.108 1.00 1.33 C ATOM 1833 CD LYS A 112 -9.076 1.997 -10.914 1.00 1.68 C ATOM 1834 CE LYS A 112 -9.028 1.054 -12.110 1.00 2.31 C ATOM 1835 NZ LYS A 112 -9.057 -0.377 -11.702 1.00 2.93 N ATOM 0 H LYS A 112 -7.930 1.312 -8.507 1.00 0.59 H new ATOM 0 HA LYS A 112 -9.592 3.097 -6.935 1.00 0.60 H new ATOM 0 HB2 LYS A 112 -11.453 2.810 -8.550 1.00 0.72 H new ATOM 0 HB3 LYS A 112 -10.121 3.749 -9.193 1.00 0.72 H new ATOM 0 HG2 LYS A 112 -10.441 0.789 -9.781 1.00 1.33 H new ATOM 0 HG3 LYS A 112 -11.216 2.025 -10.751 1.00 1.33 H new ATOM 0 HD2 LYS A 112 -9.000 3.028 -11.261 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -8.215 1.813 -10.271 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -9.874 1.260 -12.766 1.00 2.31 H new ATOM 0 HE3 LYS A 112 -8.123 1.247 -12.686 1.00 2.31 H new ATOM 0 HZ1 LYS A 112 -8.803 -0.975 -12.514 1.00 2.93 H new ATOM 0 HZ2 LYS A 112 -8.376 -0.532 -10.932 1.00 2.93 H new ATOM 0 HZ3 LYS A 112 -10.012 -0.625 -11.375 1.00 2.93 H new ATOM 1849 N TRP A 113 -10.712 1.223 -5.976 1.00 0.77 N ATOM 1850 CA TRP A 113 -11.341 0.126 -5.294 1.00 0.97 C ATOM 1851 C TRP A 113 -12.642 -0.225 -5.993 1.00 1.02 C ATOM 1852 O TRP A 113 -13.086 0.488 -6.892 1.00 1.12 O ATOM 1853 CB TRP A 113 -11.604 0.472 -3.841 1.00 1.07 C ATOM 1854 CG TRP A 113 -12.232 1.828 -3.664 1.00 0.99 C ATOM 1855 CD1 TRP A 113 -11.587 2.998 -3.380 1.00 0.86 C ATOM 1856 CD2 TRP A 113 -13.623 2.156 -3.777 1.00 1.35 C ATOM 1857 NE1 TRP A 113 -12.487 4.031 -3.326 1.00 1.06 N ATOM 1858 CE2 TRP A 113 -13.743 3.541 -3.559 1.00 1.36 C ATOM 1859 CE3 TRP A 113 -14.778 1.417 -4.043 1.00 1.82 C ATOM 1860 CZ2 TRP A 113 -14.969 4.199 -3.603 1.00 1.79 C ATOM 1861 CZ3 TRP A 113 -15.993 2.070 -4.084 1.00 2.23 C ATOM 1862 CH2 TRP A 113 -16.081 3.449 -3.865 1.00 2.20 C ATOM 0 H TRP A 113 -10.791 2.118 -5.494 1.00 0.77 H new ATOM 0 HA TRP A 113 -10.671 -0.734 -5.320 1.00 0.97 H new ATOM 0 HB2 TRP A 113 -12.257 -0.284 -3.406 1.00 1.07 H new ATOM 0 HB3 TRP A 113 -10.665 0.438 -3.289 1.00 1.07 H new ATOM 0 HD1 TRP A 113 -10.523 3.095 -3.221 1.00 0.86 H new ATOM 0 HE1 TRP A 113 -12.257 5.008 -3.142 1.00 1.06 H new ATOM 0 HE3 TRP A 113 -14.721 0.352 -4.214 1.00 1.82 H new ATOM 0 HZ2 TRP A 113 -15.039 5.264 -3.436 1.00 1.79 H new ATOM 0 HZ3 TRP A 113 -16.891 1.507 -4.289 1.00 2.23 H new ATOM 0 HH2 TRP A 113 -17.047 3.930 -3.904 1.00 2.20 H new ATOM 1873 N ARG A 114 -13.271 -1.293 -5.558 1.00 1.34 N ATOM 1874 CA ARG A 114 -14.344 -1.886 -6.331 1.00 1.50 C ATOM 1875 C ARG A 114 -15.548 -2.199 -5.498 1.00 1.82 C ATOM 1876 O ARG A 114 -16.609 -2.581 -5.989 1.00 2.41 O ATOM 1877 CB ARG A 114 -13.807 -3.153 -6.912 1.00 1.80 C ATOM 1878 CG ARG A 114 -13.976 -3.304 -8.422 1.00 2.76 C ATOM 1879 CD ARG A 114 -13.071 -2.364 -9.217 1.00 3.56 C ATOM 1880 NE ARG A 114 -13.476 -0.962 -9.107 1.00 4.38 N ATOM 1881 CZ ARG A 114 -13.694 -0.154 -10.144 1.00 5.34 C ATOM 1882 NH1 ARG A 114 -13.523 -0.592 -11.385 1.00 5.63 N ATOM 1883 NH2 ARG A 114 -14.079 1.100 -9.933 1.00 6.29 N ATOM 0 H ARG A 114 -13.062 -1.768 -4.680 1.00 1.34 H new ATOM 0 HA ARG A 114 -14.667 -1.179 -7.095 1.00 1.50 H new ATOM 0 HB2 ARG A 114 -12.746 -3.221 -6.674 1.00 1.80 H new ATOM 0 HB3 ARG A 114 -14.298 -3.994 -6.423 1.00 1.80 H new ATOM 0 HG2 ARG A 114 -13.761 -4.334 -8.706 1.00 2.76 H new ATOM 0 HG3 ARG A 114 -15.015 -3.111 -8.688 1.00 2.76 H new ATOM 0 HD2 ARG A 114 -12.045 -2.470 -8.865 1.00 3.56 H new ATOM 0 HD3 ARG A 114 -13.080 -2.659 -10.266 1.00 3.56 H new ATOM 0 HE ARG A 114 -13.600 -0.576 -8.171 1.00 4.38 H new ATOM 0 HH11 ARG A 114 -13.223 -1.553 -11.550 1.00 5.63 H new ATOM 0 HH12 ARG A 114 -13.692 0.032 -12.174 1.00 5.63 H new ATOM 0 HH21 ARG A 114 -14.207 1.441 -8.980 1.00 6.29 H new ATOM 0 HH22 ARG A 114 -14.247 1.722 -10.724 1.00 6.29 H new ATOM 1897 N SER A 115 -15.328 -2.057 -4.254 1.00 2.02 N ATOM 1898 CA SER A 115 -16.317 -2.354 -3.233 1.00 2.76 C ATOM 1899 C SER A 115 -17.382 -1.257 -3.141 1.00 3.19 C ATOM 1900 O SER A 115 -17.376 -0.489 -2.156 1.00 3.60 O ATOM 1901 CB SER A 115 -15.617 -2.532 -1.898 1.00 3.33 C ATOM 1902 OG SER A 115 -14.532 -3.439 -2.012 1.00 4.01 O ATOM 1903 OXT SER A 115 -18.230 -1.172 -4.056 1.00 3.62 O ATOM 0 H SER A 115 -14.440 -1.724 -3.879 1.00 2.02 H new ATOM 0 HA SER A 115 -16.830 -3.277 -3.505 1.00 2.76 H new ATOM 0 HB2 SER A 115 -15.254 -1.568 -1.542 1.00 3.33 H new ATOM 0 HB3 SER A 115 -16.327 -2.899 -1.157 1.00 3.33 H new ATOM 0 HG SER A 115 -13.717 -2.946 -2.242 1.00 4.01 H new