USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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: A2057 GLN :FLIP amide:sc= -0.477 X(o=-0.92,f=-0.49) USER MOD Set 1.2: A2061 GLN : amide:sc= -0.0128 X(o=-0.49,f=-0.92) USER MOD Single : A2058 GLN : amide:sc= -0.075 K(o=-0.075,f=-0.89) USER MOD Single : A2059 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A2060 GLN : amide:sc= -1.77! C(o=-1.8!,f=-6.3!) USER MOD Single : A2062 THR OG1 : rot 80:sc= 1.29 USER MOD Single : A2065 THR OG1 : rot 77:sc= 1.27 USER MOD Single : A2071 THR OG1 : rot -170:sc= -0.997 USER MOD Single : A2073 THR OG1 : rot 75:sc= 0.9 USER MOD Single : A2077 HIS : no HE2:sc= -4.52 K(o=-4.5,f=-5.7!) USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2079 THR OG1 : rot -175:sc= -0.201 USER MOD Single : A2082 SER OG : rot -32:sc= 0.975 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= -0.051 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2096 SER OG : rot 180:sc= 0 USER MOD Single : A2098 THR OG1 : rot -170:sc= 0.755 USER MOD Single : A2104 ASN : amide:sc= -1.23 K(o=-1.2,f=-4.9!) USER MOD Single : A2105 THR OG1 : rot 76:sc= 0.195 USER MOD Single : A2107 THR OG1 : rot -44:sc= -0.0542 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.598 K(o=0.6,f=-0.025) USER MOD Single : A2110 THR OG1 : rot -74:sc= 0.174 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A2122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2124 THR OG1 : rot 151:sc= 0.229 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 57:sc= 1.05 USER MOD Single : A2130 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A2131 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A2133 HIS : no HD1:sc= -0.778 X(o=-0.78,f=-1) USER MOD Single : A2134 THR OG1 : rot 69:sc= 0.192 USER MOD Single : A2137 THR OG1 : rot -7:sc= 0.623 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -14.062 -7.022 4.553 1.00 0.67 N ATOM 151 CA PRO A2056 -13.032 -6.040 4.883 1.00 0.61 C ATOM 152 C PRO A2056 -11.617 -6.593 4.738 1.00 0.54 C ATOM 153 O PRO A2056 -10.780 -5.994 4.061 1.00 0.50 O ATOM 154 CB PRO A2056 -13.336 -5.712 6.336 1.00 0.71 C ATOM 155 CG PRO A2056 -14.813 -5.872 6.448 1.00 0.86 C ATOM 156 CD PRO A2056 -15.214 -6.934 5.463 1.00 0.81 C ATOM 0 HA PRO A2056 -13.055 -5.179 4.215 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -12.810 -6.384 7.014 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.025 -4.698 6.588 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.094 -6.159 7.461 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -15.321 -4.932 6.230 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.407 -7.886 5.958 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.125 -6.662 4.930 1.00 0.81 H new ATOM 164 N GLN A2057 -11.377 -7.755 5.338 1.00 0.58 N ATOM 165 CA GLN A2057 -10.070 -8.393 5.303 1.00 0.60 C ATOM 166 C GLN A2057 -9.667 -8.763 3.876 1.00 0.57 C ATOM 167 O GLN A2057 -8.505 -8.625 3.504 1.00 0.57 O ATOM 168 CB GLN A2057 -10.075 -9.642 6.178 1.00 0.71 C ATOM 169 CG GLN A2057 -8.708 -10.280 6.327 1.00 0.83 C ATOM 170 CD GLN A2057 -8.740 -11.551 7.146 1.00 1.19 C ATOM 171 OE1 GLN A2057 -7.846 -12.474 6.834 1.00 1.63 O flip ATOM 172 NE2 GLN A2057 -9.561 -11.707 8.050 1.00 1.95 N flip ATOM 0 H GLN A2057 -12.081 -8.277 5.859 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.340 -7.681 5.687 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.456 -9.383 7.166 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -10.764 -10.372 5.752 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.305 -10.500 5.338 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.029 -9.568 6.796 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -10.235 -10.970 8.260 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -9.568 -12.573 8.589 1.00 1.95 H new ATOM 181 N GLN A2058 -10.629 -9.229 3.083 1.00 0.59 N ATOM 182 CA GLN A2058 -10.374 -9.559 1.682 1.00 0.64 C ATOM 183 C GLN A2058 -9.917 -8.315 0.940 1.00 0.57 C ATOM 184 O GLN A2058 -8.963 -8.351 0.162 1.00 0.59 O ATOM 185 CB GLN A2058 -11.630 -10.127 1.012 1.00 0.75 C ATOM 186 CG GLN A2058 -12.060 -11.475 1.554 1.00 0.83 C ATOM 187 CD GLN A2058 -11.091 -12.584 1.199 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.429 -12.542 0.161 1.00 1.44 O ATOM 189 NE2 GLN A2058 -11.005 -13.589 2.056 1.00 1.60 N ATOM 0 H GLN A2058 -11.590 -9.387 3.385 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.593 -10.319 1.645 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.449 -9.418 1.137 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.449 -10.218 -0.059 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.153 -11.413 2.638 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.047 -11.721 1.163 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -11.571 -13.585 2.905 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -10.373 -14.367 1.868 1.00 1.60 H new ATOM 198 N GLN A2059 -10.603 -7.212 1.206 1.00 0.54 N ATOM 199 CA GLN A2059 -10.241 -5.928 0.632 1.00 0.52 C ATOM 200 C GLN A2059 -8.856 -5.517 1.104 1.00 0.47 C ATOM 201 O GLN A2059 -8.054 -5.002 0.326 1.00 0.49 O ATOM 202 CB GLN A2059 -11.264 -4.863 1.023 1.00 0.57 C ATOM 203 CG GLN A2059 -12.674 -5.183 0.566 1.00 0.72 C ATOM 204 CD GLN A2059 -13.656 -4.094 0.931 1.00 1.02 C ATOM 205 OE1 GLN A2059 -14.224 -4.088 2.022 1.00 1.50 O ATOM 206 NE2 GLN A2059 -13.880 -3.177 0.007 1.00 1.19 N ATOM 0 H GLN A2059 -11.417 -7.183 1.819 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.232 -6.022 -0.454 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.259 -4.746 2.107 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.961 -3.906 0.598 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.680 -5.327 -0.514 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.994 -6.123 1.015 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -13.386 -3.220 -0.885 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -14.546 -2.426 0.185 1.00 1.19 H new ATOM 215 N GLN A2060 -8.578 -5.759 2.384 1.00 0.44 N ATOM 216 CA GLN A2060 -7.267 -5.465 2.942 1.00 0.42 C ATOM 217 C GLN A2060 -6.209 -6.265 2.235 1.00 0.39 C ATOM 218 O GLN A2060 -5.317 -5.698 1.664 1.00 0.37 O ATOM 219 CB GLN A2060 -7.196 -5.775 4.435 1.00 0.45 C ATOM 220 CG GLN A2060 -8.238 -5.063 5.256 1.00 0.50 C ATOM 221 CD GLN A2060 -8.143 -5.388 6.730 1.00 0.60 C ATOM 222 OE1 GLN A2060 -8.771 -6.329 7.209 1.00 0.78 O ATOM 223 NE2 GLN A2060 -7.360 -4.613 7.459 1.00 0.95 N ATOM 0 H GLN A2060 -9.242 -6.156 3.048 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.095 -4.398 2.801 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.306 -6.850 4.579 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.208 -5.504 4.806 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.131 -3.987 5.118 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.229 -5.334 4.892 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -6.856 -3.842 7.022 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -7.260 -4.786 8.459 1.00 0.95 H new ATOM 232 N GLN A2061 -6.327 -7.582 2.271 1.00 0.41 N ATOM 233 CA GLN A2061 -5.357 -8.468 1.629 1.00 0.42 C ATOM 234 C GLN A2061 -5.108 -8.071 0.182 1.00 0.43 C ATOM 235 O GLN A2061 -3.993 -8.188 -0.321 1.00 0.41 O ATOM 236 CB GLN A2061 -5.852 -9.895 1.698 1.00 0.51 C ATOM 237 CG GLN A2061 -5.875 -10.425 3.113 1.00 0.56 C ATOM 238 CD GLN A2061 -6.652 -11.718 3.250 1.00 0.67 C ATOM 239 OE1 GLN A2061 -7.612 -11.965 2.522 1.00 1.03 O ATOM 240 NE2 GLN A2061 -6.239 -12.558 4.187 1.00 1.32 N ATOM 0 H GLN A2061 -7.090 -8.069 2.741 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.411 -8.380 2.163 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.855 -9.950 1.275 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.212 -10.530 1.085 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.851 -10.586 3.451 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.313 -9.673 3.769 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -5.438 -12.317 4.771 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -6.722 -13.446 4.325 1.00 1.32 H new ATOM 249 N THR A2062 -6.152 -7.604 -0.472 1.00 0.49 N ATOM 250 CA THR A2062 -6.035 -7.047 -1.811 1.00 0.55 C ATOM 251 C THR A2062 -5.056 -5.869 -1.840 1.00 0.49 C ATOM 252 O THR A2062 -4.080 -5.875 -2.592 1.00 0.48 O ATOM 253 CB THR A2062 -7.394 -6.564 -2.330 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.331 -7.651 -2.337 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.250 -6.002 -3.735 1.00 0.77 C ATOM 0 H THR A2062 -7.100 -7.598 -0.097 1.00 0.49 H new ATOM 0 HA THR A2062 -5.661 -7.846 -2.452 1.00 0.55 H new ATOM 0 HB THR A2062 -7.761 -5.778 -1.670 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.686 -7.783 -1.433 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.222 -5.662 -4.092 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.555 -5.163 -3.722 1.00 0.77 H new ATOM 0 HG23 THR A2062 -6.870 -6.778 -4.400 1.00 0.77 H new ATOM 263 N LEU A2063 -5.307 -4.873 -0.995 1.00 0.50 N ATOM 264 CA LEU A2063 -4.503 -3.667 -0.966 1.00 0.53 C ATOM 265 C LEU A2063 -3.199 -3.943 -0.233 1.00 0.44 C ATOM 266 O LEU A2063 -2.211 -3.229 -0.372 1.00 0.47 O ATOM 267 CB LEU A2063 -5.302 -2.546 -0.296 1.00 0.69 C ATOM 268 CG LEU A2063 -5.754 -2.794 1.141 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.703 -2.334 2.127 1.00 1.32 C ATOM 270 CD2 LEU A2063 -7.077 -2.097 1.408 1.00 1.22 C ATOM 0 H LEU A2063 -6.069 -4.884 -0.318 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.256 -3.350 -1.979 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.696 -1.640 -0.311 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.186 -2.349 -0.902 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.893 -3.867 1.273 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -5.050 -2.522 3.143 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.777 -2.881 1.953 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.524 -1.267 1.997 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.385 -2.284 2.437 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -6.961 -1.024 1.253 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.835 -2.482 0.726 1.00 1.22 H new ATOM 282 N ALA A2064 -3.232 -5.010 0.532 1.00 0.39 N ATOM 283 CA ALA A2064 -2.088 -5.523 1.248 1.00 0.38 C ATOM 284 C ALA A2064 -1.094 -6.056 0.238 1.00 0.37 C ATOM 285 O ALA A2064 0.092 -5.739 0.263 1.00 0.51 O ATOM 286 CB ALA A2064 -2.538 -6.634 2.189 1.00 0.38 C ATOM 0 H ALA A2064 -4.079 -5.560 0.677 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.620 -4.736 1.840 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.676 -7.023 2.731 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.264 -6.238 2.899 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.996 -7.437 1.611 1.00 0.38 H new ATOM 292 N THR A2065 -1.630 -6.861 -0.669 1.00 0.28 N ATOM 293 CA THR A2065 -0.893 -7.377 -1.802 1.00 0.28 C ATOM 294 C THR A2065 -0.435 -6.232 -2.702 1.00 0.27 C ATOM 295 O THR A2065 0.645 -6.283 -3.279 1.00 0.25 O ATOM 296 CB THR A2065 -1.775 -8.354 -2.599 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.145 -9.462 -1.769 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.065 -8.862 -3.846 1.00 0.41 C ATOM 0 H THR A2065 -2.600 -7.174 -0.634 1.00 0.28 H new ATOM 0 HA THR A2065 -0.013 -7.907 -1.437 1.00 0.28 H new ATOM 0 HB THR A2065 -2.668 -7.815 -2.917 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.854 -9.186 -1.151 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.719 -9.549 -4.383 1.00 0.41 H new ATOM 0 HG22 THR A2065 -0.816 -8.020 -4.491 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.151 -9.381 -3.558 1.00 0.41 H new ATOM 306 N LEU A2066 -1.265 -5.198 -2.802 1.00 0.29 N ATOM 307 CA LEU A2066 -0.920 -3.994 -3.542 1.00 0.28 C ATOM 308 C LEU A2066 0.352 -3.409 -2.952 1.00 0.23 C ATOM 309 O LEU A2066 1.379 -3.311 -3.623 1.00 0.22 O ATOM 310 CB LEU A2066 -2.062 -2.984 -3.409 1.00 0.32 C ATOM 311 CG LEU A2066 -2.108 -1.818 -4.402 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.709 -0.604 -3.717 1.00 0.92 C ATOM 313 CD2 LEU A2066 -0.745 -1.474 -4.985 1.00 1.35 C ATOM 0 H LEU A2066 -2.190 -5.173 -2.374 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.764 -4.227 -4.595 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.002 -3.530 -3.490 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.023 -2.565 -2.403 1.00 0.32 H new ATOM 0 HG LEU A2066 -2.729 -2.129 -5.242 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.744 0.229 -4.419 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.719 -0.839 -3.381 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.096 -0.330 -2.859 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -0.846 -0.641 -5.680 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.065 -1.194 -4.180 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.346 -2.340 -5.513 1.00 1.35 H new ATOM 325 N VAL A2067 0.256 -3.037 -1.687 1.00 0.21 N ATOM 326 CA VAL A2067 1.359 -2.438 -0.968 1.00 0.18 C ATOM 327 C VAL A2067 2.609 -3.311 -1.053 1.00 0.16 C ATOM 328 O VAL A2067 3.709 -2.829 -1.331 1.00 0.17 O ATOM 329 CB VAL A2067 0.984 -2.224 0.514 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.194 -1.800 1.326 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.129 -1.196 0.644 1.00 0.22 C ATOM 0 H VAL A2067 -0.593 -3.144 -1.131 1.00 0.21 H new ATOM 0 HA VAL A2067 1.572 -1.475 -1.431 1.00 0.18 H new ATOM 0 HB VAL A2067 0.625 -3.174 0.909 1.00 0.19 H new ATOM 0 HG11 VAL A2067 1.902 -1.656 2.366 1.00 0.20 H new ATOM 0 HG12 VAL A2067 2.960 -2.573 1.268 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.590 -0.866 0.928 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.378 -1.060 1.696 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.202 -0.246 0.224 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -1.010 -1.544 0.105 1.00 0.22 H new ATOM 341 N ALA A2068 2.415 -4.600 -0.833 1.00 0.15 N ATOM 342 CA ALA A2068 3.505 -5.556 -0.837 1.00 0.15 C ATOM 343 C ALA A2068 4.130 -5.698 -2.224 1.00 0.14 C ATOM 344 O ALA A2068 5.349 -5.678 -2.361 1.00 0.13 O ATOM 345 CB ALA A2068 3.006 -6.894 -0.324 1.00 0.17 C ATOM 0 H ALA A2068 1.500 -5.011 -0.647 1.00 0.15 H new ATOM 0 HA ALA A2068 4.289 -5.188 -0.175 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.825 -7.613 -0.327 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.630 -6.777 0.692 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.204 -7.255 -0.968 1.00 0.17 H new ATOM 351 N ALA A2069 3.296 -5.836 -3.248 1.00 0.17 N ATOM 352 CA ALA A2069 3.773 -5.959 -4.620 1.00 0.18 C ATOM 353 C ALA A2069 4.467 -4.676 -5.061 1.00 0.19 C ATOM 354 O ALA A2069 5.401 -4.698 -5.868 1.00 0.21 O ATOM 355 CB ALA A2069 2.619 -6.279 -5.558 1.00 0.23 C ATOM 0 H ALA A2069 2.281 -5.866 -3.153 1.00 0.17 H new ATOM 0 HA ALA A2069 4.493 -6.776 -4.660 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.993 -6.367 -6.578 1.00 0.23 H new ATOM 0 HB2 ALA A2069 2.157 -7.219 -5.258 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.879 -5.480 -5.511 1.00 0.23 H new ATOM 361 N ALA A2070 4.008 -3.558 -4.508 1.00 0.19 N ATOM 362 CA ALA A2070 4.582 -2.260 -4.805 1.00 0.21 C ATOM 363 C ALA A2070 6.014 -2.197 -4.320 1.00 0.20 C ATOM 364 O ALA A2070 6.906 -1.746 -5.040 1.00 0.23 O ATOM 365 CB ALA A2070 3.766 -1.155 -4.161 1.00 0.24 C ATOM 0 H ALA A2070 3.232 -3.531 -3.846 1.00 0.19 H new ATOM 0 HA ALA A2070 4.568 -2.118 -5.886 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.213 -0.189 -4.395 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.746 -1.186 -4.544 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.752 -1.296 -3.080 1.00 0.24 H new ATOM 371 N THR A2071 6.244 -2.673 -3.105 1.00 0.18 N ATOM 372 CA THR A2071 7.566 -2.603 -2.535 1.00 0.21 C ATOM 373 C THR A2071 8.391 -3.800 -2.966 1.00 0.21 C ATOM 374 O THR A2071 9.604 -3.737 -3.017 1.00 0.27 O ATOM 375 CB THR A2071 7.530 -2.439 -1.014 1.00 0.22 C ATOM 376 OG1 THR A2071 8.845 -2.354 -0.476 1.00 0.28 O ATOM 377 CG2 THR A2071 6.772 -3.560 -0.348 1.00 0.23 C ATOM 0 H THR A2071 5.538 -3.105 -2.508 1.00 0.18 H new ATOM 0 HA THR A2071 8.052 -1.707 -2.920 1.00 0.21 H new ATOM 0 HB THR A2071 7.005 -1.506 -0.808 1.00 0.22 H new ATOM 0 HG1 THR A2071 8.803 -2.409 0.502 1.00 0.28 H new ATOM 0 HG21 THR A2071 6.769 -3.407 0.731 1.00 0.23 H new ATOM 0 HG22 THR A2071 5.746 -3.574 -0.715 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.252 -4.511 -0.578 1.00 0.23 H new ATOM 385 N ALA A2072 7.726 -4.878 -3.325 1.00 0.18 N ATOM 386 CA ALA A2072 8.391 -5.982 -3.994 1.00 0.22 C ATOM 387 C ALA A2072 9.144 -5.453 -5.203 1.00 0.26 C ATOM 388 O ALA A2072 10.310 -5.780 -5.428 1.00 0.31 O ATOM 389 CB ALA A2072 7.376 -7.012 -4.428 1.00 0.22 C ATOM 0 H ALA A2072 6.728 -5.016 -3.166 1.00 0.18 H new ATOM 0 HA ALA A2072 9.093 -6.453 -3.306 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.885 -7.836 -4.929 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.845 -7.391 -3.554 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.664 -6.554 -5.115 1.00 0.22 H new ATOM 395 N THR A2073 8.457 -4.614 -5.957 1.00 0.27 N ATOM 396 CA THR A2073 9.033 -3.927 -7.094 1.00 0.34 C ATOM 397 C THR A2073 10.124 -2.956 -6.642 1.00 0.37 C ATOM 398 O THR A2073 11.244 -2.969 -7.154 1.00 0.43 O ATOM 399 CB THR A2073 7.933 -3.147 -7.833 1.00 0.38 C ATOM 400 OG1 THR A2073 6.879 -4.041 -8.216 1.00 0.40 O ATOM 401 CG2 THR A2073 8.488 -2.440 -9.054 1.00 0.46 C ATOM 0 H THR A2073 7.475 -4.390 -5.794 1.00 0.27 H new ATOM 0 HA THR A2073 9.476 -4.668 -7.760 1.00 0.34 H new ATOM 0 HB THR A2073 7.537 -2.389 -7.157 1.00 0.38 H new ATOM 0 HG1 THR A2073 6.344 -4.273 -7.428 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.687 -1.897 -9.556 1.00 0.46 H new ATOM 0 HG22 THR A2073 9.264 -1.739 -8.747 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.912 -3.175 -9.738 1.00 0.46 H new ATOM 409 N VAL A2074 9.776 -2.139 -5.663 1.00 0.36 N ATOM 410 CA VAL A2074 10.632 -1.089 -5.156 1.00 0.41 C ATOM 411 C VAL A2074 11.936 -1.617 -4.530 1.00 0.47 C ATOM 412 O VAL A2074 13.012 -1.076 -4.792 1.00 0.56 O ATOM 413 CB VAL A2074 9.810 -0.266 -4.154 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.516 -0.048 -2.829 1.00 0.38 C ATOM 415 CG2 VAL A2074 9.374 1.043 -4.771 1.00 0.37 C ATOM 0 H VAL A2074 8.873 -2.191 -5.192 1.00 0.36 H new ATOM 0 HA VAL A2074 10.961 -0.465 -5.987 1.00 0.41 H new ATOM 0 HB VAL A2074 8.923 -0.856 -3.921 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.878 0.541 -2.169 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.726 -1.012 -2.366 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.452 0.484 -2.999 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.793 1.612 -4.045 1.00 0.37 H new ATOM 0 HG22 VAL A2074 10.253 1.618 -5.063 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.762 0.845 -5.651 1.00 0.37 H new ATOM 425 N LEU A2075 11.847 -2.669 -3.717 1.00 0.43 N ATOM 426 CA LEU A2075 13.014 -3.205 -3.032 1.00 0.52 C ATOM 427 C LEU A2075 13.884 -4.005 -3.999 1.00 0.60 C ATOM 428 O LEU A2075 15.101 -4.078 -3.837 1.00 0.74 O ATOM 429 CB LEU A2075 12.584 -4.091 -1.858 1.00 0.49 C ATOM 430 CG LEU A2075 11.464 -3.527 -0.974 1.00 0.44 C ATOM 431 CD1 LEU A2075 10.919 -4.599 -0.049 1.00 0.46 C ATOM 432 CD2 LEU A2075 11.924 -2.325 -0.165 1.00 0.52 C ATOM 0 H LEU A2075 10.978 -3.164 -3.519 1.00 0.43 H new ATOM 0 HA LEU A2075 13.598 -2.369 -2.647 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.260 -5.054 -2.253 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.456 -4.281 -1.232 1.00 0.49 H new ATOM 0 HG LEU A2075 10.670 -3.193 -1.641 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.126 -4.178 0.569 1.00 0.46 H new ATOM 0 HD12 LEU A2075 10.519 -5.422 -0.641 1.00 0.46 H new ATOM 0 HD13 LEU A2075 11.720 -4.969 0.591 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.098 -1.960 0.445 1.00 0.52 H new ATOM 0 HD22 LEU A2075 12.752 -2.617 0.481 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.252 -1.536 -0.841 1.00 0.52 H new ATOM 444 N GLY A2076 13.254 -4.606 -5.006 1.00 0.57 N ATOM 445 CA GLY A2076 14.009 -5.303 -6.031 1.00 0.67 C ATOM 446 C GLY A2076 13.796 -6.808 -6.038 1.00 0.65 C ATOM 447 O GLY A2076 14.761 -7.569 -6.063 1.00 0.93 O ATOM 0 H GLY A2076 12.242 -4.622 -5.129 1.00 0.57 H new ATOM 0 HA2 GLY A2076 13.733 -4.903 -7.007 1.00 0.67 H new ATOM 0 HA3 GLY A2076 15.070 -5.097 -5.890 1.00 0.67 H new ATOM 451 N HIS A2077 12.542 -7.249 -6.014 1.00 0.51 N ATOM 452 CA HIS A2077 12.242 -8.680 -6.137 1.00 0.66 C ATOM 453 C HIS A2077 10.977 -8.947 -6.940 1.00 0.68 C ATOM 454 O HIS A2077 10.690 -10.095 -7.280 1.00 0.97 O ATOM 455 CB HIS A2077 12.127 -9.397 -4.785 1.00 0.81 C ATOM 456 CG HIS A2077 11.735 -8.577 -3.605 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.594 -8.834 -2.889 1.00 0.54 N ATOM 458 CD2 HIS A2077 12.374 -7.584 -2.947 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.550 -8.045 -1.842 1.00 0.61 C ATOM 460 NE2 HIS A2077 11.618 -7.271 -1.848 1.00 0.80 N ATOM 0 H HIS A2077 11.724 -6.649 -5.912 1.00 0.51 H new ATOM 0 HA HIS A2077 13.100 -9.087 -6.672 1.00 0.66 H new ATOM 0 HB2 HIS A2077 11.400 -10.202 -4.892 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.089 -9.862 -4.568 1.00 0.81 H new ATOM 0 HD1 HIS A2077 9.889 -9.530 -3.133 1.00 0.54 H new ATOM 0 HD2 HIS A2077 13.307 -7.123 -3.234 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.768 -8.031 -1.097 1.00 0.61 H new ATOM 469 N HIS A2078 10.223 -7.892 -7.227 1.00 0.62 N ATOM 470 CA HIS A2078 8.987 -7.983 -8.008 1.00 0.69 C ATOM 471 C HIS A2078 7.846 -8.661 -7.253 1.00 0.80 C ATOM 472 O HIS A2078 6.737 -8.127 -7.217 1.00 1.56 O ATOM 473 CB HIS A2078 9.203 -8.692 -9.342 1.00 0.81 C ATOM 474 CG HIS A2078 9.971 -7.884 -10.339 1.00 0.88 C ATOM 475 ND1 HIS A2078 9.380 -6.963 -11.175 1.00 0.93 N ATOM 476 CD2 HIS A2078 11.294 -7.852 -10.623 1.00 0.96 C ATOM 477 CE1 HIS A2078 10.305 -6.399 -11.927 1.00 1.03 C ATOM 478 NE2 HIS A2078 11.473 -6.921 -11.614 1.00 1.05 N ATOM 0 H HIS A2078 10.449 -6.944 -6.925 1.00 0.62 H new ATOM 0 HA HIS A2078 8.696 -6.949 -8.195 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.731 -9.629 -9.163 1.00 0.81 H new ATOM 0 HB3 HIS A2078 8.233 -8.949 -9.767 1.00 0.81 H new ATOM 0 HD2 HIS A2078 12.064 -8.448 -10.157 1.00 0.96 H new ATOM 0 HE1 HIS A2078 10.134 -5.638 -12.674 1.00 1.03 H new ATOM 0 HE2 HIS A2078 12.366 -6.673 -12.040 1.00 1.05 H new ATOM 487 N THR A2079 8.084 -9.827 -6.656 1.00 0.64 N ATOM 488 CA THR A2079 7.003 -10.517 -5.972 1.00 0.67 C ATOM 489 C THR A2079 6.892 -10.102 -4.509 1.00 0.44 C ATOM 490 O THR A2079 7.894 -9.874 -3.813 1.00 0.54 O ATOM 491 CB THR A2079 7.089 -12.055 -6.034 1.00 1.02 C ATOM 492 OG1 THR A2079 6.067 -12.674 -5.241 1.00 1.82 O ATOM 493 CG2 THR A2079 8.416 -12.509 -5.531 1.00 0.59 C ATOM 0 H THR A2079 8.988 -10.299 -6.633 1.00 0.64 H new ATOM 0 HA THR A2079 6.113 -10.210 -6.521 1.00 0.67 H new ATOM 0 HB THR A2079 6.952 -12.347 -7.075 1.00 1.02 H new ATOM 0 HG1 THR A2079 6.195 -13.646 -5.243 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.470 -13.597 -5.578 1.00 0.59 H new ATOM 0 HG22 THR A2079 9.205 -12.080 -6.148 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.545 -12.183 -4.499 1.00 0.59 H new ATOM 501 N PRO A2080 5.652 -10.037 -4.034 1.00 0.29 N ATOM 502 CA PRO A2080 5.288 -9.631 -2.685 1.00 0.32 C ATOM 503 C PRO A2080 5.330 -10.807 -1.720 1.00 0.45 C ATOM 504 O PRO A2080 5.016 -10.678 -0.537 1.00 0.51 O ATOM 505 CB PRO A2080 3.839 -9.138 -2.852 1.00 0.39 C ATOM 506 CG PRO A2080 3.466 -9.418 -4.274 1.00 0.39 C ATOM 507 CD PRO A2080 4.475 -10.394 -4.793 1.00 0.32 C ATOM 0 HA PRO A2080 5.966 -8.883 -2.274 1.00 0.32 H new ATOM 0 HB2 PRO A2080 3.170 -9.655 -2.165 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.762 -8.073 -2.631 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.459 -9.830 -4.337 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.473 -8.502 -4.865 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.173 -11.426 -4.617 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.633 -10.287 -5.866 1.00 0.32 H new ATOM 515 N GLU A2081 5.732 -11.955 -2.242 1.00 0.53 N ATOM 516 CA GLU A2081 5.785 -13.182 -1.464 1.00 0.64 C ATOM 517 C GLU A2081 6.967 -13.154 -0.497 1.00 0.56 C ATOM 518 O GLU A2081 7.151 -14.056 0.320 1.00 0.70 O ATOM 519 CB GLU A2081 5.882 -14.376 -2.411 1.00 0.84 C ATOM 520 CG GLU A2081 7.265 -14.608 -2.984 1.00 0.93 C ATOM 521 CD GLU A2081 7.270 -15.724 -4.000 1.00 1.28 C ATOM 522 OE1 GLU A2081 6.806 -15.497 -5.139 1.00 1.54 O ATOM 523 OE2 GLU A2081 7.753 -16.829 -3.670 1.00 1.45 O ATOM 0 H GLU A2081 6.029 -12.062 -3.212 1.00 0.53 H new ATOM 0 HA GLU A2081 4.875 -13.273 -0.871 1.00 0.64 H new ATOM 0 HB2 GLU A2081 5.567 -15.273 -1.878 1.00 0.84 H new ATOM 0 HB3 GLU A2081 5.181 -14.231 -3.233 1.00 0.84 H new ATOM 0 HG2 GLU A2081 7.624 -13.690 -3.450 1.00 0.93 H new ATOM 0 HG3 GLU A2081 7.957 -14.848 -2.177 1.00 0.93 H new ATOM 530 N SER A2082 7.758 -12.101 -0.601 1.00 0.43 N ATOM 531 CA SER A2082 8.904 -11.907 0.266 1.00 0.43 C ATOM 532 C SER A2082 8.738 -10.620 1.073 1.00 0.33 C ATOM 533 O SER A2082 9.702 -10.072 1.607 1.00 0.38 O ATOM 534 CB SER A2082 10.185 -11.868 -0.579 1.00 0.54 C ATOM 535 OG SER A2082 11.340 -11.647 0.218 1.00 0.63 O ATOM 0 H SER A2082 7.624 -11.359 -1.287 1.00 0.43 H new ATOM 0 HA SER A2082 8.977 -12.738 0.968 1.00 0.43 H new ATOM 0 HB2 SER A2082 10.292 -12.808 -1.120 1.00 0.54 H new ATOM 0 HB3 SER A2082 10.103 -11.078 -1.326 1.00 0.54 H new ATOM 0 HG SER A2082 11.106 -11.080 0.982 1.00 0.63 H new ATOM 541 N ILE A2083 7.503 -10.141 1.156 1.00 0.25 N ATOM 542 CA ILE A2083 7.209 -8.905 1.865 1.00 0.17 C ATOM 543 C ILE A2083 6.609 -9.196 3.229 1.00 0.15 C ATOM 544 O ILE A2083 5.440 -9.566 3.335 1.00 0.22 O ATOM 545 CB ILE A2083 6.233 -8.028 1.063 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.784 -7.785 -0.336 1.00 0.18 C ATOM 547 CG2 ILE A2083 5.988 -6.699 1.771 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.924 -6.802 -0.370 1.00 0.22 C ATOM 0 H ILE A2083 6.688 -10.592 0.740 1.00 0.25 H new ATOM 0 HA ILE A2083 8.150 -8.370 1.991 1.00 0.17 H new ATOM 0 HB ILE A2083 5.281 -8.553 0.987 1.00 0.13 H new ATOM 0 HG12 ILE A2083 7.120 -8.733 -0.755 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.981 -7.420 -0.976 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.295 -6.097 1.184 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.562 -6.885 2.757 1.00 0.12 H new ATOM 0 HG23 ILE A2083 6.932 -6.164 1.878 1.00 0.12 H new ATOM 0 HD11 ILE A2083 8.267 -6.677 -1.397 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.588 -5.841 0.019 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.744 -7.175 0.243 1.00 0.22 H new ATOM 560 N SER A2084 7.417 -9.051 4.263 1.00 0.14 N ATOM 561 CA SER A2084 6.943 -9.220 5.624 1.00 0.14 C ATOM 562 C SER A2084 6.221 -7.958 6.082 1.00 0.12 C ATOM 563 O SER A2084 6.828 -6.893 6.179 1.00 0.12 O ATOM 564 CB SER A2084 8.118 -9.525 6.547 1.00 0.19 C ATOM 565 OG SER A2084 8.887 -10.606 6.042 1.00 0.28 O ATOM 0 H SER A2084 8.407 -8.816 4.186 1.00 0.14 H new ATOM 0 HA SER A2084 6.243 -10.055 5.660 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.747 -8.641 6.647 1.00 0.19 H new ATOM 0 HB3 SER A2084 7.750 -9.769 7.544 1.00 0.19 H new ATOM 0 HG SER A2084 9.637 -10.785 6.647 1.00 0.28 H new ATOM 571 N PRO A2085 4.912 -8.062 6.355 1.00 0.12 N ATOM 572 CA PRO A2085 4.093 -6.912 6.737 1.00 0.12 C ATOM 573 C PRO A2085 4.506 -6.324 8.068 1.00 0.12 C ATOM 574 O PRO A2085 4.324 -5.132 8.310 1.00 0.13 O ATOM 575 CB PRO A2085 2.677 -7.470 6.836 1.00 0.15 C ATOM 576 CG PRO A2085 2.835 -8.947 6.966 1.00 0.15 C ATOM 577 CD PRO A2085 4.132 -9.308 6.303 1.00 0.14 C ATOM 0 HA PRO A2085 4.194 -6.104 6.013 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.152 -7.055 7.696 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.093 -7.215 5.952 1.00 0.15 H new ATOM 0 HG2 PRO A2085 2.842 -9.244 8.015 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.002 -9.467 6.493 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.638 -10.118 6.828 1.00 0.14 H new ATOM 0 HD3 PRO A2085 3.977 -9.641 5.277 1.00 0.14 H new ATOM 585 N ALA A2086 5.046 -7.170 8.925 1.00 0.11 N ATOM 586 CA ALA A2086 5.473 -6.736 10.240 1.00 0.12 C ATOM 587 C ALA A2086 6.801 -5.991 10.168 1.00 0.11 C ATOM 588 O ALA A2086 7.066 -5.102 10.976 1.00 0.14 O ATOM 589 CB ALA A2086 5.576 -7.921 11.180 1.00 0.14 C ATOM 0 H ALA A2086 5.199 -8.160 8.734 1.00 0.11 H new ATOM 0 HA ALA A2086 4.723 -6.047 10.629 1.00 0.12 H new ATOM 0 HB1 ALA A2086 5.898 -7.578 12.163 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.603 -8.404 11.265 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.302 -8.634 10.789 1.00 0.14 H new ATOM 595 N THR A2087 7.634 -6.352 9.199 1.00 0.10 N ATOM 596 CA THR A2087 8.867 -5.633 8.972 1.00 0.11 C ATOM 597 C THR A2087 8.552 -4.308 8.320 1.00 0.10 C ATOM 598 O THR A2087 7.631 -4.192 7.513 1.00 0.10 O ATOM 599 CB THR A2087 9.837 -6.400 8.060 1.00 0.14 C ATOM 600 OG1 THR A2087 10.047 -7.725 8.568 1.00 0.16 O ATOM 601 CG2 THR A2087 11.175 -5.667 7.930 1.00 0.16 C ATOM 0 H THR A2087 7.473 -7.135 8.565 1.00 0.10 H new ATOM 0 HA THR A2087 9.348 -5.500 9.941 1.00 0.11 H new ATOM 0 HB THR A2087 9.390 -6.462 7.068 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.665 -8.207 7.980 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.839 -6.235 7.279 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.008 -4.678 7.504 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.632 -5.566 8.915 1.00 0.16 H new ATOM 609 N ALA A2088 9.328 -3.326 8.663 1.00 0.12 N ATOM 610 CA ALA A2088 9.115 -1.994 8.159 1.00 0.12 C ATOM 611 C ALA A2088 9.823 -1.817 6.836 1.00 0.11 C ATOM 612 O ALA A2088 10.883 -2.401 6.607 1.00 0.12 O ATOM 613 CB ALA A2088 9.573 -0.952 9.162 1.00 0.15 C ATOM 0 H ALA A2088 10.123 -3.418 9.295 1.00 0.12 H new ATOM 0 HA ALA A2088 8.046 -1.853 8.001 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.401 0.045 8.756 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.012 -1.068 10.089 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.636 -1.083 9.363 1.00 0.15 H new ATOM 619 N PHE A2089 9.208 -1.033 5.972 1.00 0.10 N ATOM 620 CA PHE A2089 9.790 -0.668 4.678 1.00 0.09 C ATOM 621 C PHE A2089 11.261 -0.293 4.821 1.00 0.09 C ATOM 622 O PHE A2089 12.085 -0.657 3.983 1.00 0.12 O ATOM 623 CB PHE A2089 8.998 0.490 4.089 1.00 0.09 C ATOM 624 CG PHE A2089 7.651 0.069 3.594 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.525 -0.869 2.585 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.506 0.628 4.133 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.278 -1.239 2.123 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.261 0.261 3.675 1.00 0.12 C ATOM 629 CZ PHE A2089 5.164 -0.748 2.685 1.00 0.10 C ATOM 0 H PHE A2089 8.288 -0.626 6.140 1.00 0.10 H new ATOM 0 HA PHE A2089 9.737 -1.527 4.009 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.878 1.266 4.845 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.562 0.931 3.267 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.410 -1.315 2.155 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.590 1.361 4.922 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.199 -1.932 1.299 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.372 0.735 4.064 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.196 -1.120 2.384 1.00 0.10 H new ATOM 639 N LYS A2090 11.568 0.431 5.888 1.00 0.12 N ATOM 640 CA LYS A2090 12.934 0.745 6.259 1.00 0.16 C ATOM 641 C LYS A2090 13.841 -0.483 6.171 1.00 0.17 C ATOM 642 O LYS A2090 14.729 -0.557 5.321 1.00 0.20 O ATOM 643 CB LYS A2090 12.947 1.277 7.691 1.00 0.21 C ATOM 644 CG LYS A2090 14.336 1.524 8.240 1.00 0.29 C ATOM 645 CD LYS A2090 15.038 2.595 7.451 1.00 0.38 C ATOM 646 CE LYS A2090 16.134 2.012 6.593 1.00 1.54 C ATOM 647 NZ LYS A2090 16.837 3.053 5.795 1.00 1.69 N ATOM 0 H LYS A2090 10.869 0.818 6.522 1.00 0.12 H new ATOM 0 HA LYS A2090 13.314 1.493 5.563 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.381 2.208 7.728 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.432 0.566 8.337 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.271 1.820 9.287 1.00 0.29 H new ATOM 0 HG3 LYS A2090 14.915 0.601 8.205 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.318 3.117 6.821 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.460 3.334 8.132 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.854 1.495 7.228 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.709 1.267 5.921 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.581 2.607 5.221 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 16.156 3.529 5.169 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 17.266 3.751 6.436 1.00 1.69 H new ATOM 661 N ASP A2091 13.599 -1.442 7.056 1.00 0.17 N ATOM 662 CA ASP A2091 14.422 -2.647 7.148 1.00 0.20 C ATOM 663 C ASP A2091 14.414 -3.436 5.841 1.00 0.20 C ATOM 664 O ASP A2091 15.376 -4.132 5.511 1.00 0.32 O ATOM 665 CB ASP A2091 13.947 -3.537 8.300 1.00 0.24 C ATOM 666 CG ASP A2091 14.804 -4.780 8.466 1.00 1.23 C ATOM 667 OD1 ASP A2091 14.326 -5.885 8.138 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.961 -4.662 8.918 1.00 1.15 O ATOM 0 H ASP A2091 12.832 -1.410 7.728 1.00 0.17 H new ATOM 0 HA ASP A2091 15.446 -2.328 7.342 1.00 0.20 H new ATOM 0 HB2 ASP A2091 13.960 -2.964 9.227 1.00 0.24 H new ATOM 0 HB3 ASP A2091 12.913 -3.833 8.123 1.00 0.24 H new ATOM 673 N LEU A2092 13.334 -3.304 5.092 1.00 0.16 N ATOM 674 CA LEU A2092 13.159 -4.049 3.854 1.00 0.18 C ATOM 675 C LEU A2092 13.936 -3.425 2.694 1.00 0.19 C ATOM 676 O LEU A2092 14.128 -4.063 1.655 1.00 0.24 O ATOM 677 CB LEU A2092 11.670 -4.147 3.533 1.00 0.17 C ATOM 678 CG LEU A2092 10.878 -4.999 4.526 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.396 -4.691 4.455 1.00 0.18 C ATOM 680 CD2 LEU A2092 11.122 -6.478 4.268 1.00 0.23 C ATOM 0 H LEU A2092 12.558 -2.683 5.320 1.00 0.16 H new ATOM 0 HA LEU A2092 13.566 -5.051 3.992 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.246 -3.143 3.511 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.550 -4.565 2.534 1.00 0.17 H new ATOM 0 HG LEU A2092 11.225 -4.753 5.529 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.860 -5.313 5.173 1.00 0.18 H new ATOM 0 HD12 LEU A2092 9.231 -3.640 4.691 1.00 0.18 H new ATOM 0 HD13 LEU A2092 9.029 -4.899 3.450 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.551 -7.071 4.983 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.806 -6.728 3.255 1.00 0.23 H new ATOM 0 HD23 LEU A2092 12.184 -6.697 4.381 1.00 0.23 H new ATOM 692 N GLY A2093 14.382 -2.185 2.866 1.00 0.16 N ATOM 693 CA GLY A2093 15.246 -1.575 1.871 1.00 0.18 C ATOM 694 C GLY A2093 14.649 -0.346 1.208 1.00 0.15 C ATOM 695 O GLY A2093 15.117 0.074 0.150 1.00 0.20 O ATOM 0 H GLY A2093 14.163 -1.595 3.669 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.189 -1.299 2.343 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.478 -2.313 1.103 1.00 0.18 H new ATOM 699 N ILE A2094 13.625 0.231 1.814 1.00 0.13 N ATOM 700 CA ILE A2094 12.995 1.430 1.281 1.00 0.12 C ATOM 701 C ILE A2094 13.818 2.685 1.563 1.00 0.12 C ATOM 702 O ILE A2094 14.309 2.884 2.675 1.00 0.16 O ATOM 703 CB ILE A2094 11.571 1.579 1.855 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.589 0.826 0.956 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.182 3.041 2.025 1.00 0.18 C ATOM 706 CD1 ILE A2094 9.856 1.706 -0.027 1.00 0.32 C ATOM 0 H ILE A2094 13.210 -0.113 2.680 1.00 0.13 H new ATOM 0 HA ILE A2094 12.938 1.319 0.198 1.00 0.12 H new ATOM 0 HB ILE A2094 11.541 1.142 2.853 1.00 0.12 H new ATOM 0 HG12 ILE A2094 11.132 0.058 0.405 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.859 0.313 1.582 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.173 3.104 2.431 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.879 3.526 2.708 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.215 3.541 1.057 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.180 1.097 -0.627 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.283 2.458 0.515 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.575 2.199 -0.680 1.00 0.32 H new ATOM 718 N ASP A2095 13.984 3.509 0.534 1.00 0.15 N ATOM 719 CA ASP A2095 14.601 4.821 0.688 1.00 0.19 C ATOM 720 C ASP A2095 13.547 5.898 0.491 1.00 0.16 C ATOM 721 O ASP A2095 12.392 5.581 0.216 1.00 0.17 O ATOM 722 CB ASP A2095 15.736 5.035 -0.318 1.00 0.28 C ATOM 723 CG ASP A2095 16.904 4.097 -0.106 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.612 4.246 0.911 1.00 1.23 O ATOM 725 OD2 ASP A2095 17.113 3.200 -0.946 1.00 1.86 O ATOM 0 H ASP A2095 13.698 3.290 -0.420 1.00 0.15 H new ATOM 0 HA ASP A2095 15.023 4.879 1.691 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.348 4.900 -1.328 1.00 0.28 H new ATOM 0 HB3 ASP A2095 16.087 6.064 -0.246 1.00 0.28 H new ATOM 730 N SER A2096 13.932 7.158 0.596 1.00 0.19 N ATOM 731 CA SER A2096 12.985 8.255 0.421 1.00 0.20 C ATOM 732 C SER A2096 12.419 8.265 -0.999 1.00 0.17 C ATOM 733 O SER A2096 11.255 8.602 -1.223 1.00 0.20 O ATOM 734 CB SER A2096 13.676 9.584 0.723 1.00 0.26 C ATOM 735 OG SER A2096 14.838 9.752 -0.076 1.00 1.32 O ATOM 0 H SER A2096 14.888 7.450 0.800 1.00 0.19 H new ATOM 0 HA SER A2096 12.156 8.113 1.115 1.00 0.20 H new ATOM 0 HB2 SER A2096 12.984 10.406 0.541 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.948 9.624 1.778 1.00 0.26 H new ATOM 0 HG SER A2096 15.260 10.611 0.136 1.00 1.32 H new ATOM 741 N LEU A2097 13.256 7.859 -1.939 1.00 0.17 N ATOM 742 CA LEU A2097 12.911 7.846 -3.353 1.00 0.19 C ATOM 743 C LEU A2097 11.870 6.792 -3.632 1.00 0.18 C ATOM 744 O LEU A2097 10.881 7.031 -4.316 1.00 0.24 O ATOM 745 CB LEU A2097 14.154 7.531 -4.171 1.00 0.23 C ATOM 746 CG LEU A2097 15.371 8.396 -3.868 1.00 1.07 C ATOM 747 CD1 LEU A2097 16.548 7.987 -4.740 1.00 1.61 C ATOM 748 CD2 LEU A2097 15.048 9.870 -4.058 1.00 1.55 C ATOM 0 H LEU A2097 14.200 7.527 -1.743 1.00 0.17 H new ATOM 0 HA LEU A2097 12.514 8.824 -3.624 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.421 6.487 -4.007 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.909 7.635 -5.228 1.00 0.23 H new ATOM 0 HG LEU A2097 15.647 8.242 -2.825 1.00 1.07 H new ATOM 0 HD11 LEU A2097 17.408 8.616 -4.509 1.00 1.61 H new ATOM 0 HD12 LEU A2097 16.799 6.944 -4.547 1.00 1.61 H new ATOM 0 HD13 LEU A2097 16.282 8.107 -5.790 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.932 10.468 -3.836 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.741 10.045 -5.089 1.00 1.55 H new ATOM 0 HD23 LEU A2097 14.239 10.155 -3.385 1.00 1.55 H new ATOM 760 N THR A2098 12.120 5.611 -3.127 1.00 0.14 N ATOM 761 CA THR A2098 11.184 4.522 -3.286 1.00 0.15 C ATOM 762 C THR A2098 9.965 4.652 -2.389 1.00 0.16 C ATOM 763 O THR A2098 8.895 4.132 -2.712 1.00 0.17 O ATOM 764 CB THR A2098 11.839 3.170 -3.085 1.00 0.15 C ATOM 765 OG1 THR A2098 12.949 3.286 -2.181 1.00 0.17 O ATOM 766 CG2 THR A2098 12.287 2.636 -4.428 1.00 0.19 C ATOM 0 H THR A2098 12.963 5.377 -2.602 1.00 0.14 H new ATOM 0 HA THR A2098 10.840 4.587 -4.318 1.00 0.15 H new ATOM 0 HB THR A2098 11.124 2.474 -2.646 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.459 2.449 -2.180 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.760 1.663 -4.293 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.423 2.532 -5.085 1.00 0.19 H new ATOM 0 HG23 THR A2098 13.001 3.328 -4.875 1.00 0.19 H new ATOM 774 N ALA A2099 10.119 5.340 -1.264 1.00 0.16 N ATOM 775 CA ALA A2099 8.976 5.687 -0.430 1.00 0.18 C ATOM 776 C ALA A2099 7.993 6.523 -1.240 1.00 0.21 C ATOM 777 O ALA A2099 6.802 6.604 -0.940 1.00 0.24 O ATOM 778 CB ALA A2099 9.429 6.452 0.803 1.00 0.18 C ATOM 0 H ALA A2099 11.018 5.667 -0.910 1.00 0.16 H new ATOM 0 HA ALA A2099 8.484 4.772 -0.101 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.562 6.703 1.414 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.115 5.835 1.383 1.00 0.18 H new ATOM 0 HB3 ALA A2099 9.935 7.368 0.497 1.00 0.18 H new ATOM 784 N LEU A2100 8.527 7.113 -2.293 1.00 0.20 N ATOM 785 CA LEU A2100 7.775 7.930 -3.208 1.00 0.24 C ATOM 786 C LEU A2100 7.116 7.022 -4.237 1.00 0.20 C ATOM 787 O LEU A2100 5.915 7.109 -4.494 1.00 0.21 O ATOM 788 CB LEU A2100 8.770 8.923 -3.836 1.00 0.30 C ATOM 789 CG LEU A2100 8.391 9.633 -5.135 1.00 0.24 C ATOM 790 CD1 LEU A2100 8.517 8.722 -6.347 1.00 1.03 C ATOM 791 CD2 LEU A2100 7.003 10.248 -5.035 1.00 1.15 C ATOM 0 H LEU A2100 9.515 7.032 -2.535 1.00 0.20 H new ATOM 0 HA LEU A2100 6.978 8.493 -2.723 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.982 9.691 -3.092 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.702 8.386 -4.015 1.00 0.30 H new ATOM 0 HG LEU A2100 9.106 10.443 -5.281 1.00 0.24 H new ATOM 0 HD11 LEU A2100 8.237 9.271 -7.246 1.00 1.03 H new ATOM 0 HD12 LEU A2100 9.547 8.378 -6.438 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.857 7.863 -6.227 1.00 1.03 H new ATOM 0 HD21 LEU A2100 6.758 10.747 -5.972 1.00 1.15 H new ATOM 0 HD22 LEU A2100 6.271 9.464 -4.839 1.00 1.15 H new ATOM 0 HD23 LEU A2100 6.984 10.974 -4.222 1.00 1.15 H new ATOM 803 N GLU A2101 7.928 6.149 -4.807 1.00 0.21 N ATOM 804 CA GLU A2101 7.466 5.188 -5.805 1.00 0.20 C ATOM 805 C GLU A2101 6.306 4.340 -5.291 1.00 0.17 C ATOM 806 O GLU A2101 5.343 4.102 -6.019 1.00 0.17 O ATOM 807 CB GLU A2101 8.621 4.293 -6.224 1.00 0.23 C ATOM 808 CG GLU A2101 9.834 5.079 -6.666 1.00 0.28 C ATOM 809 CD GLU A2101 10.868 4.225 -7.370 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.070 4.356 -7.060 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.484 3.417 -8.239 1.00 0.45 O ATOM 0 H GLU A2101 8.924 6.083 -4.595 1.00 0.21 H new ATOM 0 HA GLU A2101 7.101 5.750 -6.665 1.00 0.20 H new ATOM 0 HB2 GLU A2101 8.896 3.646 -5.391 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.297 3.644 -7.038 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.517 5.881 -7.333 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.291 5.550 -5.796 1.00 0.28 H new ATOM 818 N LEU A2102 6.403 3.877 -4.048 1.00 0.16 N ATOM 819 CA LEU A2102 5.328 3.113 -3.434 1.00 0.16 C ATOM 820 C LEU A2102 4.010 3.847 -3.499 1.00 0.16 C ATOM 821 O LEU A2102 3.081 3.415 -4.175 1.00 0.21 O ATOM 822 CB LEU A2102 5.638 2.829 -1.976 1.00 0.22 C ATOM 823 CG LEU A2102 6.698 1.781 -1.729 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.507 1.172 -0.361 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.649 0.717 -2.800 1.00 1.13 C ATOM 0 H LEU A2102 7.216 4.019 -3.448 1.00 0.16 H new ATOM 0 HA LEU A2102 5.248 2.181 -3.994 1.00 0.16 H new ATOM 0 HB2 LEU A2102 5.953 3.758 -1.502 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.719 2.515 -1.482 1.00 0.22 H new ATOM 0 HG LEU A2102 7.680 2.253 -1.767 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.274 0.417 -0.188 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.587 1.950 0.398 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.522 0.708 -0.303 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.419 -0.030 -2.607 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.670 0.238 -2.793 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.823 1.173 -3.774 1.00 1.13 H new ATOM 837 N ARG A2103 3.942 4.948 -2.772 1.00 0.18 N ATOM 838 CA ARG A2103 2.734 5.765 -2.709 1.00 0.25 C ATOM 839 C ARG A2103 2.223 6.084 -4.113 1.00 0.22 C ATOM 840 O ARG A2103 1.023 6.176 -4.331 1.00 0.24 O ATOM 841 CB ARG A2103 3.008 7.061 -1.927 1.00 0.37 C ATOM 842 CG ARG A2103 3.735 8.130 -2.730 1.00 0.72 C ATOM 843 CD ARG A2103 2.780 9.215 -3.200 1.00 0.65 C ATOM 844 NE ARG A2103 3.298 9.956 -4.351 1.00 1.21 N ATOM 845 CZ ARG A2103 3.017 11.236 -4.608 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.256 11.935 -3.777 1.00 1.92 N ATOM 847 NH2 ARG A2103 3.492 11.813 -5.703 1.00 2.11 N ATOM 0 H ARG A2103 4.716 5.303 -2.210 1.00 0.18 H new ATOM 0 HA ARG A2103 1.962 5.200 -2.187 1.00 0.25 H new ATOM 0 HB2 ARG A2103 2.060 7.468 -1.576 1.00 0.37 H new ATOM 0 HB3 ARG A2103 3.599 6.821 -1.043 1.00 0.37 H new ATOM 0 HG2 ARG A2103 4.521 8.574 -2.119 1.00 0.72 H new ATOM 0 HG3 ARG A2103 4.221 7.672 -3.592 1.00 0.72 H new ATOM 0 HD2 ARG A2103 1.823 8.764 -3.463 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.591 9.908 -2.380 1.00 0.65 H new ATOM 0 HE ARG A2103 3.913 9.463 -4.998 1.00 1.21 H new ATOM 0 HH11 ARG A2103 1.882 11.495 -2.936 1.00 1.92 H new ATOM 0 HH12 ARG A2103 2.045 12.912 -3.979 1.00 1.92 H new ATOM 0 HH21 ARG A2103 4.073 11.279 -6.350 1.00 2.11 H new ATOM 0 HH22 ARG A2103 3.277 12.791 -5.899 1.00 2.11 H new ATOM 861 N ASN A2104 3.148 6.248 -5.052 1.00 0.21 N ATOM 862 CA ASN A2104 2.813 6.467 -6.452 1.00 0.22 C ATOM 863 C ASN A2104 2.001 5.298 -7.015 1.00 0.23 C ATOM 864 O ASN A2104 0.923 5.496 -7.572 1.00 0.29 O ATOM 865 CB ASN A2104 4.095 6.689 -7.263 1.00 0.23 C ATOM 866 CG ASN A2104 4.513 8.147 -7.297 1.00 0.31 C ATOM 867 OD1 ASN A2104 3.689 9.046 -7.134 1.00 0.40 O ATOM 868 ND2 ASN A2104 5.788 8.394 -7.533 1.00 0.36 N ATOM 0 H ASN A2104 4.150 6.233 -4.863 1.00 0.21 H new ATOM 0 HA ASN A2104 2.192 7.359 -6.527 1.00 0.22 H new ATOM 0 HB2 ASN A2104 4.901 6.093 -6.834 1.00 0.23 H new ATOM 0 HB3 ASN A2104 3.943 6.334 -8.282 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.120 9.357 -7.585 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.442 7.622 -7.663 1.00 0.36 H new ATOM 875 N THR A2105 2.508 4.083 -6.844 1.00 0.21 N ATOM 876 CA THR A2105 1.801 2.880 -7.280 1.00 0.24 C ATOM 877 C THR A2105 0.515 2.679 -6.466 1.00 0.22 C ATOM 878 O THR A2105 -0.523 2.284 -7.005 1.00 0.24 O ATOM 879 CB THR A2105 2.701 1.637 -7.123 1.00 0.28 C ATOM 880 OG1 THR A2105 3.984 1.878 -7.716 1.00 0.33 O ATOM 881 CG2 THR A2105 2.064 0.414 -7.768 1.00 0.28 C ATOM 0 H THR A2105 3.410 3.902 -6.404 1.00 0.21 H new ATOM 0 HA THR A2105 1.542 3.009 -8.331 1.00 0.24 H new ATOM 0 HB THR A2105 2.822 1.444 -6.057 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.513 2.456 -7.127 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.720 -0.447 -7.642 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.104 0.211 -7.294 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.911 0.601 -8.831 1.00 0.28 H new ATOM 889 N LEU A2106 0.597 2.965 -5.173 1.00 0.20 N ATOM 890 CA LEU A2106 -0.533 2.815 -4.256 1.00 0.19 C ATOM 891 C LEU A2106 -1.668 3.766 -4.607 1.00 0.18 C ATOM 892 O LEU A2106 -2.805 3.339 -4.791 1.00 0.22 O ATOM 893 CB LEU A2106 -0.076 3.085 -2.817 1.00 0.28 C ATOM 894 CG LEU A2106 0.487 1.892 -2.040 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.509 1.121 -2.859 1.00 1.25 C ATOM 896 CD2 LEU A2106 1.113 2.368 -0.741 1.00 1.47 C ATOM 0 H LEU A2106 1.448 3.308 -4.727 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.900 1.793 -4.347 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.685 3.865 -2.842 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.923 3.485 -2.260 1.00 0.28 H new ATOM 0 HG LEU A2106 -0.340 1.217 -1.820 1.00 0.50 H new ATOM 0 HD11 LEU A2106 1.886 0.282 -2.274 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.039 0.747 -3.769 1.00 1.25 H new ATOM 0 HD13 LEU A2106 2.336 1.780 -3.122 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.511 1.513 -0.194 1.00 1.47 H new ATOM 0 HD22 LEU A2106 1.921 3.066 -0.961 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.357 2.867 -0.134 1.00 1.47 H new ATOM 908 N THR A2107 -1.358 5.054 -4.696 1.00 0.19 N ATOM 909 CA THR A2107 -2.366 6.070 -4.966 1.00 0.27 C ATOM 910 C THR A2107 -2.956 5.869 -6.362 1.00 0.29 C ATOM 911 O THR A2107 -4.109 6.206 -6.619 1.00 0.33 O ATOM 912 CB THR A2107 -1.782 7.499 -4.800 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.826 8.457 -4.655 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.905 7.903 -5.971 1.00 0.44 C ATOM 0 H THR A2107 -0.412 5.420 -4.584 1.00 0.19 H new ATOM 0 HA THR A2107 -3.168 5.963 -4.236 1.00 0.27 H new ATOM 0 HB THR A2107 -1.167 7.478 -3.901 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.531 8.274 -5.310 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.521 8.910 -5.807 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.071 7.206 -6.059 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.492 7.883 -6.889 1.00 0.44 H new ATOM 922 N HIS A2108 -2.150 5.295 -7.246 1.00 0.29 N ATOM 923 CA HIS A2108 -2.599 4.901 -8.572 1.00 0.35 C ATOM 924 C HIS A2108 -3.621 3.775 -8.469 1.00 0.35 C ATOM 925 O HIS A2108 -4.724 3.860 -9.004 1.00 0.47 O ATOM 926 CB HIS A2108 -1.393 4.440 -9.387 1.00 0.38 C ATOM 927 CG HIS A2108 -1.704 4.073 -10.802 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.716 4.979 -11.837 1.00 0.71 N ATOM 929 CD2 HIS A2108 -2.013 2.877 -11.346 1.00 1.06 C ATOM 930 CE1 HIS A2108 -2.025 4.355 -12.958 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.210 3.077 -12.687 1.00 1.29 N ATOM 0 H HIS A2108 -1.168 5.090 -7.063 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.072 5.751 -9.064 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.646 5.233 -9.387 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.944 3.579 -8.892 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -2.091 1.936 -10.821 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.112 4.813 -13.932 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.459 2.356 -13.365 1.00 1.29 H new ATOM 940 N ASN A2109 -3.228 2.729 -7.763 1.00 0.27 N ATOM 941 CA ASN A2109 -4.036 1.518 -7.617 1.00 0.28 C ATOM 942 C ASN A2109 -5.328 1.761 -6.843 1.00 0.28 C ATOM 943 O ASN A2109 -6.397 1.293 -7.237 1.00 0.36 O ATOM 944 CB ASN A2109 -3.210 0.440 -6.922 1.00 0.28 C ATOM 945 CG ASN A2109 -2.574 -0.523 -7.903 1.00 0.35 C ATOM 946 OD1 ASN A2109 -3.160 -1.545 -8.257 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.369 -0.204 -8.345 1.00 0.39 N ATOM 0 H ASN A2109 -2.336 2.690 -7.270 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.322 1.193 -8.617 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.431 0.912 -6.324 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.848 -0.115 -6.234 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.890 -0.816 -9.006 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.919 0.654 -8.025 1.00 0.39 H new ATOM 954 N THR A2110 -5.229 2.496 -5.749 1.00 0.25 N ATOM 955 CA THR A2110 -6.376 2.783 -4.908 1.00 0.26 C ATOM 956 C THR A2110 -7.237 3.848 -5.572 1.00 0.27 C ATOM 957 O THR A2110 -8.445 3.946 -5.338 1.00 0.33 O ATOM 958 CB THR A2110 -5.924 3.243 -3.512 1.00 0.27 C ATOM 959 OG1 THR A2110 -5.054 4.377 -3.631 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.196 2.118 -2.791 1.00 0.29 C ATOM 0 H THR A2110 -4.356 2.908 -5.421 1.00 0.25 H new ATOM 0 HA THR A2110 -6.965 1.874 -4.785 1.00 0.26 H new ATOM 0 HB THR A2110 -6.807 3.519 -2.935 1.00 0.27 H new ATOM 0 HG1 THR A2110 -4.176 4.083 -3.952 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.883 2.461 -1.805 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.863 1.263 -2.683 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.319 1.823 -3.368 1.00 0.29 H new ATOM 968 N GLY A2111 -6.592 4.636 -6.426 1.00 0.23 N ATOM 969 CA GLY A2111 -7.286 5.641 -7.195 1.00 0.26 C ATOM 970 C GLY A2111 -7.467 6.925 -6.420 1.00 0.29 C ATOM 971 O GLY A2111 -8.085 7.875 -6.901 1.00 0.36 O ATOM 0 H GLY A2111 -5.587 4.591 -6.597 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.729 5.846 -8.110 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.262 5.258 -7.494 1.00 0.26 H new ATOM 975 N LEU A2112 -6.918 6.942 -5.220 1.00 0.28 N ATOM 976 CA LEU A2112 -7.018 8.083 -4.327 1.00 0.34 C ATOM 977 C LEU A2112 -5.838 9.002 -4.534 1.00 0.29 C ATOM 978 O LEU A2112 -5.202 8.998 -5.589 1.00 0.29 O ATOM 979 CB LEU A2112 -7.018 7.625 -2.873 1.00 0.43 C ATOM 980 CG LEU A2112 -7.386 6.170 -2.631 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.912 5.774 -1.260 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.880 5.940 -2.756 1.00 0.47 C ATOM 0 H LEU A2112 -6.387 6.161 -4.834 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.949 8.606 -4.548 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -6.026 7.802 -2.457 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.714 8.252 -2.316 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.902 5.556 -3.390 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.170 4.732 -1.073 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.831 5.897 -1.199 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.392 6.406 -0.513 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.103 4.888 -2.576 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.405 6.552 -2.023 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.208 6.214 -3.759 1.00 0.47 H new ATOM 994 N ASP A2113 -5.568 9.792 -3.519 1.00 0.28 N ATOM 995 CA ASP A2113 -4.457 10.719 -3.536 1.00 0.28 C ATOM 996 C ASP A2113 -3.722 10.642 -2.219 1.00 0.30 C ATOM 997 O ASP A2113 -4.311 10.819 -1.154 1.00 0.35 O ATOM 998 CB ASP A2113 -4.957 12.126 -3.781 1.00 0.34 C ATOM 999 CG ASP A2113 -3.861 13.166 -3.678 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -3.098 13.333 -4.654 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.755 13.823 -2.622 1.00 0.43 O ATOM 0 H ASP A2113 -6.113 9.810 -2.657 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.774 10.453 -4.343 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.409 12.178 -4.771 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.741 12.359 -3.060 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.443 10.371 -2.305 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.642 10.051 -1.135 1.00 0.30 C ATOM 1008 C LEU A2114 -0.384 10.900 -1.062 1.00 0.30 C ATOM 1009 O LEU A2114 0.148 11.331 -2.087 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.249 8.575 -1.179 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.417 7.600 -1.308 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -1.910 6.173 -1.395 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.370 7.766 -0.138 1.00 0.91 C ATOM 0 H LEU A2114 -1.923 10.364 -3.183 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.243 10.262 -0.251 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.571 8.420 -2.018 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.693 8.335 -0.272 1.00 0.32 H new ATOM 0 HG LEU A2114 -2.960 7.822 -2.227 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -2.756 5.491 -1.486 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.264 6.069 -2.267 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.345 5.932 -0.494 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.199 7.065 -0.241 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -2.840 7.567 0.794 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.756 8.785 -0.125 1.00 0.91 H new ATOM 1025 N PRO A2115 0.108 11.143 0.160 1.00 0.29 N ATOM 1026 CA PRO A2115 1.366 11.850 0.389 1.00 0.31 C ATOM 1027 C PRO A2115 2.562 10.927 0.211 1.00 0.28 C ATOM 1028 O PRO A2115 2.444 9.709 0.358 1.00 0.25 O ATOM 1029 CB PRO A2115 1.254 12.264 1.853 1.00 0.33 C ATOM 1030 CG PRO A2115 0.482 11.154 2.472 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.528 10.741 1.434 1.00 0.30 C ATOM 0 HA PRO A2115 1.516 12.678 -0.304 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.235 12.376 2.314 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.740 13.219 1.961 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.134 10.322 2.738 1.00 0.29 H new ATOM 0 HG3 PRO A2115 -0.008 11.480 3.389 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.722 9.669 1.466 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.484 11.242 1.582 1.00 0.30 H new ATOM 1039 N PRO A2116 3.735 11.483 -0.100 1.00 0.33 N ATOM 1040 CA PRO A2116 4.958 10.699 -0.194 1.00 0.36 C ATOM 1041 C PRO A2116 5.524 10.381 1.187 1.00 0.34 C ATOM 1042 O PRO A2116 6.548 9.714 1.315 1.00 0.43 O ATOM 1043 CB PRO A2116 5.899 11.612 -0.976 1.00 0.44 C ATOM 1044 CG PRO A2116 5.451 12.992 -0.640 1.00 0.46 C ATOM 1045 CD PRO A2116 3.966 12.911 -0.397 1.00 0.43 C ATOM 0 HA PRO A2116 4.805 9.731 -0.671 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.938 11.451 -0.687 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.833 11.424 -2.048 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.969 13.364 0.244 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.674 13.682 -1.454 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.661 13.547 0.434 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.400 13.235 -1.270 1.00 0.43 H new ATOM 1053 N THR A2117 4.839 10.860 2.223 1.00 0.27 N ATOM 1054 CA THR A2117 5.277 10.637 3.587 1.00 0.24 C ATOM 1055 C THR A2117 4.576 9.439 4.225 1.00 0.17 C ATOM 1056 O THR A2117 4.830 9.123 5.384 1.00 0.15 O ATOM 1057 CB THR A2117 5.054 11.887 4.458 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.733 12.410 4.241 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.089 12.956 4.145 1.00 0.36 C ATOM 0 H THR A2117 3.980 11.404 2.138 1.00 0.27 H new ATOM 0 HA THR A2117 6.345 10.423 3.537 1.00 0.24 H new ATOM 0 HB THR A2117 5.160 11.598 5.504 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.599 13.204 4.800 1.00 0.32 H new ATOM 0 HG21 THR A2117 5.911 13.829 4.772 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.087 12.565 4.342 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.012 13.241 3.096 1.00 0.36 H new ATOM 1067 N LEU A2118 3.686 8.790 3.467 1.00 0.16 N ATOM 1068 CA LEU A2118 3.040 7.544 3.901 1.00 0.16 C ATOM 1069 C LEU A2118 4.004 6.619 4.612 1.00 0.16 C ATOM 1070 O LEU A2118 3.831 6.279 5.780 1.00 0.19 O ATOM 1071 CB LEU A2118 2.527 6.766 2.703 1.00 0.23 C ATOM 1072 CG LEU A2118 1.275 7.280 2.036 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.908 6.326 0.917 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.152 7.397 3.050 1.00 0.77 C ATOM 0 H LEU A2118 3.394 9.109 2.543 1.00 0.16 H new ATOM 0 HA LEU A2118 2.235 7.844 4.571 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.320 6.734 1.956 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.345 5.739 3.019 1.00 0.23 H new ATOM 0 HG LEU A2118 1.445 8.274 1.622 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.004 6.679 0.420 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.724 6.280 0.196 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.731 5.332 1.329 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.746 7.769 2.557 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.051 6.417 3.483 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.445 8.089 3.840 1.00 0.77 H new ATOM 1086 N ILE A2119 5.004 6.212 3.857 1.00 0.15 N ATOM 1087 CA ILE A2119 5.991 5.231 4.290 1.00 0.18 C ATOM 1088 C ILE A2119 6.711 5.676 5.564 1.00 0.20 C ATOM 1089 O ILE A2119 7.261 4.858 6.299 1.00 0.28 O ATOM 1090 CB ILE A2119 7.036 4.999 3.179 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.374 4.969 1.790 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.809 3.714 3.426 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.266 3.951 1.625 1.00 0.20 C ATOM 0 H ILE A2119 5.160 6.556 2.910 1.00 0.15 H new ATOM 0 HA ILE A2119 5.455 4.305 4.500 1.00 0.18 H new ATOM 0 HB ILE A2119 7.736 5.834 3.202 1.00 0.19 H new ATOM 0 HG12 ILE A2119 5.971 5.959 1.576 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.143 4.770 1.043 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.540 3.571 2.630 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.324 3.778 4.385 1.00 0.24 H new ATOM 0 HG23 ILE A2119 7.118 2.871 3.440 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.866 4.010 0.613 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.662 2.951 1.801 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.472 4.158 2.342 1.00 0.20 H new ATOM 1105 N PHE A2120 6.711 6.975 5.812 1.00 0.17 N ATOM 1106 CA PHE A2120 7.348 7.539 6.981 1.00 0.19 C ATOM 1107 C PHE A2120 6.381 7.627 8.166 1.00 0.20 C ATOM 1108 O PHE A2120 6.786 7.479 9.319 1.00 0.26 O ATOM 1109 CB PHE A2120 7.896 8.912 6.620 1.00 0.19 C ATOM 1110 CG PHE A2120 9.120 8.813 5.765 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.217 8.105 6.217 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.169 9.396 4.511 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.345 7.980 5.441 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.301 9.278 3.725 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.391 8.566 4.191 1.00 0.38 C ATOM 0 H PHE A2120 6.268 7.665 5.206 1.00 0.17 H new ATOM 0 HA PHE A2120 8.163 6.886 7.293 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.130 9.483 6.094 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.133 9.460 7.532 1.00 0.19 H new ATOM 0 HD1 PHE A2120 10.188 7.644 7.193 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.317 9.948 4.143 1.00 0.27 H new ATOM 0 HE1 PHE A2120 12.195 7.424 5.809 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.334 9.741 2.750 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.276 8.468 3.579 1.00 0.38 H new ATOM 1125 N ASP A2121 5.106 7.865 7.875 1.00 0.17 N ATOM 1126 CA ASP A2121 4.086 7.999 8.909 1.00 0.22 C ATOM 1127 C ASP A2121 3.549 6.644 9.343 1.00 0.20 C ATOM 1128 O ASP A2121 3.331 6.395 10.529 1.00 0.29 O ATOM 1129 CB ASP A2121 2.930 8.860 8.403 1.00 0.29 C ATOM 1130 CG ASP A2121 3.201 10.343 8.519 1.00 0.74 C ATOM 1131 OD1 ASP A2121 3.464 10.988 7.483 1.00 1.34 O ATOM 1132 OD2 ASP A2121 3.173 10.873 9.649 1.00 0.88 O ATOM 0 H ASP A2121 4.753 7.970 6.924 1.00 0.17 H new ATOM 0 HA ASP A2121 4.554 8.477 9.770 1.00 0.22 H new ATOM 0 HB2 ASP A2121 2.730 8.614 7.360 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.029 8.616 8.966 1.00 0.29 H new ATOM 1137 N HIS A2122 3.343 5.773 8.372 1.00 0.14 N ATOM 1138 CA HIS A2122 2.770 4.457 8.607 1.00 0.14 C ATOM 1139 C HIS A2122 3.677 3.426 7.975 1.00 0.14 C ATOM 1140 O HIS A2122 3.370 2.876 6.918 1.00 0.14 O ATOM 1141 CB HIS A2122 1.375 4.349 7.988 1.00 0.16 C ATOM 1142 CG HIS A2122 0.448 5.456 8.375 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.392 5.395 9.462 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.237 6.665 7.803 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.082 6.516 9.543 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.720 7.304 8.548 1.00 0.40 N ATOM 0 H HIS A2122 3.569 5.957 7.395 1.00 0.14 H new ATOM 0 HA HIS A2122 2.680 4.291 9.681 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.471 4.333 6.902 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.931 3.398 8.283 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.730 7.053 6.924 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -1.819 6.750 10.297 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.091 8.236 8.364 1.00 0.40 H new ATOM 1155 N PRO A2123 4.816 3.158 8.600 1.00 0.16 N ATOM 1156 CA PRO A2123 5.834 2.351 7.994 1.00 0.17 C ATOM 1157 C PRO A2123 5.699 0.887 8.354 1.00 0.15 C ATOM 1158 O PRO A2123 6.048 0.472 9.453 1.00 0.19 O ATOM 1159 CB PRO A2123 7.099 2.940 8.622 1.00 0.20 C ATOM 1160 CG PRO A2123 6.667 3.564 9.918 1.00 0.25 C ATOM 1161 CD PRO A2123 5.162 3.556 9.942 1.00 0.20 C ATOM 0 HA PRO A2123 5.806 2.371 6.905 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.847 2.165 8.792 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.552 3.682 7.964 1.00 0.20 H new ATOM 0 HG2 PRO A2123 7.067 3.006 10.765 1.00 0.25 H new ATOM 0 HG3 PRO A2123 7.047 4.583 9.999 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.774 2.856 10.683 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.757 4.538 10.188 1.00 0.20 H new ATOM 1169 N THR A2124 5.165 0.156 7.392 1.00 0.12 N ATOM 1170 CA THR A2124 5.187 -1.290 7.258 1.00 0.10 C ATOM 1171 C THR A2124 4.207 -1.599 6.151 1.00 0.10 C ATOM 1172 O THR A2124 3.332 -0.767 5.891 1.00 0.11 O ATOM 1173 CB THR A2124 4.798 -2.088 8.523 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.733 -1.448 9.228 1.00 0.13 O ATOM 1175 CG2 THR A2124 5.995 -2.277 9.426 1.00 0.11 C ATOM 0 H THR A2124 4.663 0.595 6.620 1.00 0.12 H new ATOM 0 HA THR A2124 6.213 -1.598 7.059 1.00 0.10 H new ATOM 0 HB THR A2124 4.449 -3.070 8.204 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.204 -2.122 9.704 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.698 -2.841 10.310 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.772 -2.823 8.891 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.379 -1.303 9.729 1.00 0.11 H new ATOM 1183 N PRO A2125 4.294 -2.731 5.461 1.00 0.11 N ATOM 1184 CA PRO A2125 3.230 -3.108 4.547 1.00 0.12 C ATOM 1185 C PRO A2125 1.898 -3.152 5.290 1.00 0.13 C ATOM 1186 O PRO A2125 0.878 -2.693 4.784 1.00 0.14 O ATOM 1187 CB PRO A2125 3.640 -4.491 4.053 1.00 0.12 C ATOM 1188 CG PRO A2125 5.114 -4.545 4.264 1.00 0.12 C ATOM 1189 CD PRO A2125 5.402 -3.696 5.471 1.00 0.11 C ATOM 0 HA PRO A2125 3.097 -2.406 3.724 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.131 -5.278 4.610 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.385 -4.628 3.002 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.446 -5.571 4.423 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.645 -4.170 3.389 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.416 -4.287 6.387 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.370 -3.201 5.396 1.00 0.11 H new ATOM 1197 N HIS A2126 1.944 -3.645 6.530 1.00 0.13 N ATOM 1198 CA HIS A2126 0.760 -3.747 7.375 1.00 0.15 C ATOM 1199 C HIS A2126 0.213 -2.374 7.763 1.00 0.14 C ATOM 1200 O HIS A2126 -0.988 -2.158 7.667 1.00 0.16 O ATOM 1201 CB HIS A2126 1.082 -4.588 8.614 1.00 0.18 C ATOM 1202 CG HIS A2126 0.057 -4.519 9.705 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.159 -5.162 9.637 1.00 0.35 N ATOM 1204 CD2 HIS A2126 0.073 -3.873 10.895 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.846 -4.914 10.735 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.121 -4.135 11.516 1.00 0.40 N ATOM 0 H HIS A2126 2.800 -3.982 6.971 1.00 0.13 H new ATOM 0 HA HIS A2126 -0.025 -4.243 6.804 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.198 -5.628 8.309 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.042 -4.264 9.016 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.877 -3.265 11.283 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.835 -5.286 10.958 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.403 -3.785 12.432 1.00 0.40 H new ATOM 1215 N ALA A2127 1.076 -1.451 8.194 1.00 0.13 N ATOM 1216 CA ALA A2127 0.620 -0.106 8.577 1.00 0.12 C ATOM 1217 C ALA A2127 -0.119 0.561 7.426 1.00 0.11 C ATOM 1218 O ALA A2127 -1.122 1.248 7.627 1.00 0.11 O ATOM 1219 CB ALA A2127 1.784 0.776 9.024 1.00 0.13 C ATOM 0 H ALA A2127 2.080 -1.603 8.287 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.062 -0.224 9.419 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.409 1.762 9.299 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.275 0.322 9.884 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.500 0.875 8.208 1.00 0.13 H new ATOM 1225 N LEU A2128 0.375 0.354 6.217 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.267 0.898 5.042 1.00 0.11 C ATOM 1227 C LEU A2128 -1.515 0.111 4.676 1.00 0.13 C ATOM 1228 O LEU A2128 -2.465 0.670 4.129 1.00 0.14 O ATOM 1229 CB LEU A2128 0.709 0.923 3.884 1.00 0.11 C ATOM 1230 CG LEU A2128 1.801 1.970 4.009 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.655 1.956 2.763 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.196 3.350 4.247 1.00 0.12 C ATOM 0 H LEU A2128 1.219 -0.187 6.028 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.578 1.918 5.266 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.173 -0.059 3.794 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.156 1.100 2.962 1.00 0.11 H new ATOM 0 HG LEU A2128 2.430 1.735 4.867 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.440 2.707 2.851 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.107 0.972 2.643 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.035 2.179 1.895 1.00 0.12 H new ATOM 0 HD21 LEU A2128 1.994 4.087 4.334 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.549 3.613 3.410 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.612 3.337 5.167 1.00 0.12 H new ATOM 1244 N THR A2129 -1.525 -1.176 5.005 1.00 0.15 N ATOM 1245 CA THR A2129 -2.696 -2.004 4.777 1.00 0.17 C ATOM 1246 C THR A2129 -3.861 -1.458 5.589 1.00 0.17 C ATOM 1247 O THR A2129 -5.029 -1.631 5.239 1.00 0.20 O ATOM 1248 CB THR A2129 -2.442 -3.482 5.159 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.301 -3.988 4.456 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.642 -4.349 4.824 1.00 0.18 C ATOM 0 H THR A2129 -0.736 -1.664 5.429 1.00 0.15 H new ATOM 0 HA THR A2129 -2.928 -1.974 3.712 1.00 0.17 H new ATOM 0 HB THR A2129 -2.265 -3.516 6.234 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.523 -3.424 4.646 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.434 -5.382 5.104 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.513 -3.993 5.374 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.842 -4.296 3.754 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.525 -0.779 6.672 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.526 -0.159 7.513 1.00 0.18 C ATOM 1260 C GLN A2130 -4.968 1.176 6.913 1.00 0.17 C ATOM 1261 O GLN A2130 -6.161 1.415 6.717 1.00 0.20 O ATOM 1262 CB GLN A2130 -3.987 0.057 8.932 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.024 -1.024 9.399 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.755 -0.967 10.887 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.813 -0.315 11.335 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.587 -1.644 11.663 1.00 1.13 N ATOM 0 H GLN A2130 -2.564 -0.645 6.987 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.386 -0.827 7.568 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.482 1.022 8.975 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.827 0.105 9.625 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.433 -2.002 9.146 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.082 -0.923 8.860 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.355 -2.172 11.249 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.460 -1.638 12.675 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.993 2.038 6.603 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.283 3.374 6.082 1.00 0.18 C ATOM 1277 C HIS A2131 -5.085 3.307 4.789 1.00 0.18 C ATOM 1278 O HIS A2131 -6.150 3.915 4.683 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.982 4.156 5.856 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.195 5.546 5.324 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.841 6.536 6.032 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.855 6.099 4.137 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.895 7.635 5.305 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.303 7.397 4.153 1.00 0.31 N ATOM 0 H HIS A2131 -2.999 1.833 6.704 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.887 3.894 6.826 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.437 4.217 6.798 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.353 3.603 5.159 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -2.330 5.611 3.329 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.347 8.569 5.603 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -3.195 8.069 3.394 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.579 2.567 3.812 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.235 2.475 2.513 1.00 0.21 C ATOM 1295 C LEU A2132 -6.601 1.817 2.614 1.00 0.21 C ATOM 1296 O LEU A2132 -7.502 2.130 1.836 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.359 1.734 1.497 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.210 2.560 0.907 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.684 3.967 0.602 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -2.016 2.597 1.844 1.00 0.64 C ATOM 0 H LEU A2132 -3.720 2.023 3.893 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.382 3.496 2.161 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.941 0.849 1.977 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.992 1.385 0.681 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.891 2.081 -0.019 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.861 4.546 0.183 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.502 3.927 -0.117 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -4.031 4.441 1.520 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.220 3.191 1.395 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.312 3.045 2.793 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.658 1.582 2.018 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.772 0.933 3.587 1.00 0.20 N ATOM 1313 CA HIS A2133 -8.048 0.275 3.774 1.00 0.21 C ATOM 1314 C HIS A2133 -9.069 1.290 4.248 1.00 0.21 C ATOM 1315 O HIS A2133 -10.178 1.353 3.724 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.939 -0.878 4.773 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.217 -1.646 4.918 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.696 -2.087 6.129 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.122 -2.041 3.991 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.838 -2.719 5.945 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.125 -2.705 4.655 1.00 0.31 N ATOM 0 H HIS A2133 -6.048 0.660 4.251 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.366 -0.147 2.821 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.148 -1.556 4.453 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.646 -0.483 5.746 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -10.066 -1.866 2.927 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.439 -3.173 6.719 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.952 -3.118 4.225 1.00 0.31 H new ATOM 1330 N THR A2134 -8.683 2.102 5.220 1.00 0.18 N ATOM 1331 CA THR A2134 -9.572 3.118 5.733 1.00 0.22 C ATOM 1332 C THR A2134 -9.889 4.154 4.661 1.00 0.26 C ATOM 1333 O THR A2134 -11.046 4.514 4.476 1.00 0.34 O ATOM 1334 CB THR A2134 -8.996 3.821 6.968 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.652 2.848 7.962 1.00 0.27 O ATOM 1336 CG2 THR A2134 -10.000 4.818 7.545 1.00 0.36 C ATOM 0 H THR A2134 -7.765 2.074 5.663 1.00 0.18 H new ATOM 0 HA THR A2134 -10.489 2.609 6.029 1.00 0.22 H new ATOM 0 HB THR A2134 -8.102 4.368 6.668 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.882 2.326 7.656 1.00 0.27 H new ATOM 0 HG21 THR A2134 -9.568 5.304 8.420 1.00 0.36 H new ATOM 0 HG22 THR A2134 -10.239 5.570 6.793 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.910 4.292 7.834 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.861 4.616 3.947 1.00 0.27 N ATOM 1345 CA ARG A2135 -9.038 5.599 2.883 1.00 0.32 C ATOM 1346 C ARG A2135 -10.160 5.198 1.925 1.00 0.40 C ATOM 1347 O ARG A2135 -11.047 5.994 1.625 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.737 5.766 2.113 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.609 6.337 2.950 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.985 7.681 3.552 1.00 0.33 C ATOM 1351 NE ARG A2135 -7.783 7.568 4.774 1.00 0.85 N ATOM 1352 CZ ARG A2135 -8.833 8.346 5.052 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -9.277 9.218 4.153 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -9.446 8.244 6.224 1.00 1.64 N ATOM 0 H ARG A2135 -7.895 4.322 4.089 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.316 6.546 3.346 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.431 4.798 1.717 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.911 6.419 1.258 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.357 5.638 3.748 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.718 6.451 2.332 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -6.075 8.240 3.771 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -7.543 8.258 2.814 1.00 0.33 H new ATOM 0 HE ARG A2135 -7.522 6.853 5.453 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -8.816 9.295 3.246 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -10.079 9.810 4.369 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -9.116 7.571 6.915 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -10.247 8.839 6.434 1.00 1.64 H new ATOM 1368 N LEU A2136 -10.117 3.955 1.464 1.00 0.41 N ATOM 1369 CA LEU A2136 -11.109 3.432 0.544 1.00 0.51 C ATOM 1370 C LEU A2136 -12.492 3.352 1.175 1.00 0.58 C ATOM 1371 O LEU A2136 -13.496 3.620 0.519 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.671 2.049 0.079 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.395 2.044 -0.751 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.927 0.628 -1.023 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.624 2.789 -2.050 1.00 0.75 C ATOM 0 H LEU A2136 -9.392 3.284 1.719 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.181 4.115 -0.303 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.525 1.414 0.953 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.475 1.604 -0.508 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.612 2.549 -0.185 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -8.014 0.654 -1.618 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.730 0.122 -0.078 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.700 0.088 -1.569 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.707 2.782 -2.640 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.421 2.303 -2.613 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.908 3.819 -1.834 1.00 0.75 H new ATOM 1387 N THR A2137 -12.543 2.976 2.443 1.00 0.43 N ATOM 1388 CA THR A2137 -13.806 2.788 3.125 1.00 0.47 C ATOM 1389 C THR A2137 -14.423 4.121 3.543 1.00 0.54 C ATOM 1390 O THR A2137 -15.642 4.243 3.668 1.00 0.68 O ATOM 1391 CB THR A2137 -13.617 1.885 4.351 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.696 2.483 5.274 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.090 0.523 3.922 1.00 0.42 C ATOM 0 H THR A2137 -11.721 2.796 3.019 1.00 0.43 H new ATOM 0 HA THR A2137 -14.492 2.308 2.427 1.00 0.47 H new ATOM 0 HB THR A2137 -14.583 1.761 4.840 1.00 0.43 H new ATOM 0 HG1 THR A2137 -12.305 3.286 4.871 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.960 -0.110 4.800 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.801 0.056 3.241 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.131 0.646 3.418 1.00 0.42 H new