USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=23 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: A2077 HIS : no HE2:sc= -5.73! C(o=-5.9!,f=-7.6!) USER MOD Set 1.2: A2079 THR OG1 : rot -170:sc= -0.174 USER MOD Single : A2057 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A2058 GLN : amide:sc= -0.135 X(o=-0.14,f=-0.26) USER MOD Single : A2059 GLN :FLIP amide:sc= -0.0348 F(o=-0.99,f=-0.035) USER MOD Single : A2060 GLN :FLIP amide:sc= -0.272 F(o=-0.93,f=-0.27) USER MOD Single : A2061 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A2062 THR OG1 : rot 95:sc= 1.23 USER MOD Single : A2065 THR OG1 : rot 81:sc= 0.308 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A2073 THR OG1 : rot 76:sc= 0.944 USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2082 SER OG : rot -42:sc= 0.714 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= 0 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 180:sc= 0.458 USER MOD Single : A2104 ASN : amide:sc= -0.225 K(o=-0.23,f=-1.9!) USER MOD Single : A2105 THR OG1 : rot 77:sc= 1.25 USER MOD Single : A2107 THR OG1 : rot -57:sc= 0.388 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.188 X(o=0.19,f=-0.091) USER MOD Single : A2110 THR OG1 : rot -83:sc= -0.145 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.712 USER MOD Single : A2122 HIS : no HD1:sc= -0.15 K(o=-0.15,f=-0.79) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.231 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 84:sc= 1.2 USER MOD Single : A2130 GLN : amide:sc= -0.162 K(o=-0.16,f=-1.6!) USER MOD Single : A2131 HIS : no HE2:sc=-0.00434 K(o=-0.0043,f=-0.51) USER MOD Single : A2133 HIS : no HE2:sc= -0.306 X(o=-0.31,f=-0.68) USER MOD Single : A2134 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A2137 THR OG1 : rot 1:sc= 0.894 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -14.029 -6.721 5.168 1.00 0.67 N ATOM 151 CA PRO A2056 -12.796 -5.986 5.464 1.00 0.61 C ATOM 152 C PRO A2056 -11.524 -6.729 5.082 1.00 0.54 C ATOM 153 O PRO A2056 -10.744 -6.235 4.274 1.00 0.50 O ATOM 154 CB PRO A2056 -12.882 -5.789 6.967 1.00 0.71 C ATOM 155 CG PRO A2056 -14.336 -5.621 7.215 1.00 0.86 C ATOM 156 CD PRO A2056 -15.033 -6.525 6.232 1.00 0.81 C ATOM 0 HA PRO A2056 -12.729 -5.063 4.888 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -12.480 -6.646 7.507 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -12.317 -4.915 7.290 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -14.590 -5.890 8.240 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -14.639 -4.583 7.073 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.320 -7.471 6.691 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -15.944 -6.069 5.844 1.00 0.81 H new ATOM 164 N GLN A2057 -11.339 -7.922 5.631 1.00 0.58 N ATOM 165 CA GLN A2057 -10.126 -8.694 5.396 1.00 0.60 C ATOM 166 C GLN A2057 -9.938 -9.025 3.912 1.00 0.57 C ATOM 167 O GLN A2057 -8.817 -8.973 3.403 1.00 0.57 O ATOM 168 CB GLN A2057 -10.161 -9.972 6.226 1.00 0.71 C ATOM 169 CG GLN A2057 -8.920 -10.825 6.073 1.00 0.83 C ATOM 170 CD GLN A2057 -8.929 -12.028 6.988 1.00 1.19 C ATOM 171 OE1 GLN A2057 -9.985 -12.566 7.321 1.00 1.63 O ATOM 172 NE2 GLN A2057 -7.752 -12.451 7.415 1.00 1.95 N ATOM 0 H GLN A2057 -12.015 -8.377 6.244 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.275 -8.085 5.701 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.285 -9.710 7.277 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.033 -10.559 5.939 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.838 -11.160 5.039 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.038 -10.219 6.283 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -6.900 -11.977 7.115 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -7.695 -13.252 8.044 1.00 1.95 H new ATOM 181 N GLN A2058 -11.033 -9.346 3.222 1.00 0.59 N ATOM 182 CA GLN A2058 -10.983 -9.614 1.785 1.00 0.64 C ATOM 183 C GLN A2058 -10.437 -8.399 1.050 1.00 0.57 C ATOM 184 O GLN A2058 -9.627 -8.519 0.129 1.00 0.59 O ATOM 185 CB GLN A2058 -12.377 -9.962 1.248 1.00 0.75 C ATOM 186 CG GLN A2058 -12.941 -11.260 1.796 1.00 0.83 C ATOM 187 CD GLN A2058 -12.075 -12.458 1.475 1.00 0.99 C ATOM 188 OE1 GLN A2058 -11.168 -12.805 2.230 1.00 1.44 O ATOM 189 NE2 GLN A2058 -12.354 -13.102 0.358 1.00 1.60 N ATOM 0 H GLN A2058 -11.963 -9.427 3.634 1.00 0.59 H new ATOM 0 HA GLN A2058 -10.324 -10.466 1.617 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -13.062 -9.149 1.489 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -12.331 -10.028 0.161 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -13.050 -11.176 2.877 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.939 -11.419 1.387 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -13.115 -12.780 -0.240 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -11.808 -13.922 0.092 1.00 1.60 H new ATOM 198 N GLN A2059 -10.882 -7.229 1.479 1.00 0.54 N ATOM 199 CA GLN A2059 -10.394 -5.978 0.927 1.00 0.52 C ATOM 200 C GLN A2059 -8.936 -5.758 1.306 1.00 0.47 C ATOM 201 O GLN A2059 -8.122 -5.374 0.467 1.00 0.49 O ATOM 202 CB GLN A2059 -11.231 -4.803 1.433 1.00 0.57 C ATOM 203 CG GLN A2059 -12.660 -4.788 0.916 1.00 0.72 C ATOM 204 CD GLN A2059 -13.398 -3.496 1.231 1.00 1.02 C ATOM 205 OE1 GLN A2059 -12.714 -2.363 1.133 1.00 1.50 O flip ATOM 206 NE2 GLN A2059 -14.596 -3.505 1.505 1.00 1.19 N flip ATOM 0 H GLN A2059 -11.584 -7.121 2.211 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.478 -6.036 -0.158 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.251 -4.828 2.523 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.742 -3.872 1.145 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.651 -4.939 -0.163 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -13.206 -5.626 1.351 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -15.097 -4.391 1.574 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -15.090 -2.627 1.664 1.00 1.19 H new ATOM 215 N GLN A2060 -8.617 -6.007 2.570 1.00 0.44 N ATOM 216 CA GLN A2060 -7.276 -5.768 3.087 1.00 0.42 C ATOM 217 C GLN A2060 -6.253 -6.572 2.333 1.00 0.39 C ATOM 218 O GLN A2060 -5.378 -6.001 1.731 1.00 0.37 O ATOM 219 CB GLN A2060 -7.179 -6.114 4.573 1.00 0.45 C ATOM 220 CG GLN A2060 -8.215 -5.425 5.429 1.00 0.50 C ATOM 221 CD GLN A2060 -8.209 -5.891 6.873 1.00 0.60 C ATOM 222 OE1 GLN A2060 -7.054 -6.318 7.360 1.00 0.78 O flip ATOM 223 NE2 GLN A2060 -9.241 -5.875 7.543 1.00 0.95 N flip ATOM 0 H GLN A2060 -9.273 -6.376 3.259 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.073 -4.705 2.954 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.282 -7.193 4.693 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.186 -5.846 4.935 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.042 -4.349 5.401 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.203 -5.600 5.002 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -10.111 -5.538 7.131 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -9.226 -6.198 8.510 1.00 0.95 H new ATOM 232 N GLN A2061 -6.378 -7.888 2.357 1.00 0.41 N ATOM 233 CA GLN A2061 -5.409 -8.765 1.699 1.00 0.42 C ATOM 234 C GLN A2061 -5.152 -8.340 0.260 1.00 0.43 C ATOM 235 O GLN A2061 -4.030 -8.418 -0.232 1.00 0.41 O ATOM 236 CB GLN A2061 -5.908 -10.189 1.732 1.00 0.51 C ATOM 237 CG GLN A2061 -5.993 -10.737 3.136 1.00 0.56 C ATOM 238 CD GLN A2061 -6.625 -12.111 3.197 1.00 0.67 C ATOM 239 OE1 GLN A2061 -7.455 -12.467 2.357 1.00 1.03 O ATOM 240 NE2 GLN A2061 -6.235 -12.892 4.190 1.00 1.32 N ATOM 0 H GLN A2061 -7.140 -8.379 2.824 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.466 -8.691 2.241 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.892 -10.237 1.266 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.244 -10.818 1.139 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.991 -10.785 3.563 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.571 -10.050 3.754 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -5.545 -12.556 4.862 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -6.624 -13.830 4.284 1.00 1.32 H new ATOM 249 N THR A2062 -6.203 -7.891 -0.395 1.00 0.49 N ATOM 250 CA THR A2062 -6.104 -7.325 -1.730 1.00 0.55 C ATOM 251 C THR A2062 -5.111 -6.160 -1.773 1.00 0.49 C ATOM 252 O THR A2062 -4.161 -6.158 -2.560 1.00 0.48 O ATOM 253 CB THR A2062 -7.473 -6.815 -2.189 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.429 -7.886 -2.172 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.381 -6.218 -3.583 1.00 0.77 C ATOM 0 H THR A2062 -7.151 -7.907 -0.019 1.00 0.49 H new ATOM 0 HA THR A2062 -5.752 -8.115 -2.393 1.00 0.55 H new ATOM 0 HB THR A2062 -7.801 -6.036 -1.501 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.916 -7.877 -1.321 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.364 -5.861 -3.892 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.678 -5.385 -3.576 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.035 -6.979 -4.283 1.00 0.77 H new ATOM 263 N LEU A2063 -5.328 -5.182 -0.906 1.00 0.50 N ATOM 264 CA LEU A2063 -4.522 -3.979 -0.883 1.00 0.53 C ATOM 265 C LEU A2063 -3.217 -4.252 -0.149 1.00 0.44 C ATOM 266 O LEU A2063 -2.223 -3.550 -0.310 1.00 0.47 O ATOM 267 CB LEU A2063 -5.323 -2.859 -0.219 1.00 0.69 C ATOM 268 CG LEU A2063 -5.791 -3.109 1.211 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.765 -2.619 2.209 1.00 1.32 C ATOM 270 CD2 LEU A2063 -7.133 -2.438 1.447 1.00 1.22 C ATOM 0 H LEU A2063 -6.066 -5.203 -0.202 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.271 -3.667 -1.897 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.714 -1.955 -0.225 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.200 -2.657 -0.834 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.908 -4.183 1.353 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -5.122 -2.809 3.221 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.824 -3.146 2.052 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.609 -1.549 2.074 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.457 -2.623 2.471 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -7.036 -1.364 1.285 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.870 -2.844 0.754 1.00 1.22 H new ATOM 282 N ALA A2064 -3.256 -5.305 0.636 1.00 0.39 N ATOM 283 CA ALA A2064 -2.117 -5.803 1.372 1.00 0.38 C ATOM 284 C ALA A2064 -1.095 -6.328 0.380 1.00 0.37 C ATOM 285 O ALA A2064 0.090 -5.997 0.433 1.00 0.51 O ATOM 286 CB ALA A2064 -2.578 -6.910 2.315 1.00 0.38 C ATOM 0 H ALA A2064 -4.104 -5.853 0.784 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.662 -5.010 1.966 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.723 -7.291 2.874 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.318 -6.512 3.010 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -3.023 -7.719 1.736 1.00 0.38 H new ATOM 292 N THR A2065 -1.596 -7.134 -0.544 1.00 0.28 N ATOM 293 CA THR A2065 -0.818 -7.634 -1.654 1.00 0.28 C ATOM 294 C THR A2065 -0.408 -6.497 -2.590 1.00 0.27 C ATOM 295 O THR A2065 0.684 -6.518 -3.147 1.00 0.25 O ATOM 296 CB THR A2065 -1.622 -8.699 -2.422 1.00 0.36 C ATOM 297 OG1 THR A2065 -1.804 -9.857 -1.593 1.00 0.40 O ATOM 298 CG2 THR A2065 -0.932 -9.102 -3.719 1.00 0.41 C ATOM 0 H THR A2065 -2.563 -7.459 -0.539 1.00 0.28 H new ATOM 0 HA THR A2065 0.090 -8.090 -1.261 1.00 0.28 H new ATOM 0 HB THR A2065 -2.589 -8.267 -2.678 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.549 -9.703 -0.975 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.531 -9.855 -4.231 1.00 0.41 H new ATOM 0 HG22 THR A2065 -0.823 -8.227 -4.360 1.00 0.41 H new ATOM 0 HG23 THR A2065 0.053 -9.512 -3.495 1.00 0.41 H new ATOM 306 N LEU A2066 -1.280 -5.497 -2.742 1.00 0.29 N ATOM 307 CA LEU A2066 -0.975 -4.325 -3.552 1.00 0.28 C ATOM 308 C LEU A2066 0.289 -3.666 -3.017 1.00 0.23 C ATOM 309 O LEU A2066 1.283 -3.517 -3.726 1.00 0.22 O ATOM 310 CB LEU A2066 -2.139 -3.338 -3.475 1.00 0.32 C ATOM 311 CG LEU A2066 -2.255 -2.299 -4.597 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.760 -0.988 -4.024 1.00 0.92 C ATOM 313 CD2 LEU A2066 -0.944 -2.081 -5.343 1.00 1.35 C ATOM 0 H LEU A2066 -2.205 -5.480 -2.311 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.822 -4.622 -4.590 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.066 -3.911 -3.449 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.067 -2.804 -2.527 1.00 0.32 H new ATOM 0 HG LEU A2066 -2.965 -2.687 -5.327 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.842 -0.250 -4.822 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.739 -1.142 -3.570 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.062 -0.629 -3.268 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -1.090 -1.335 -6.124 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.182 -1.732 -4.646 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.621 -3.020 -5.793 1.00 1.35 H new ATOM 325 N VAL A2067 0.233 -3.295 -1.749 1.00 0.21 N ATOM 326 CA VAL A2067 1.342 -2.645 -1.077 1.00 0.18 C ATOM 327 C VAL A2067 2.609 -3.492 -1.160 1.00 0.16 C ATOM 328 O VAL A2067 3.704 -2.992 -1.430 1.00 0.17 O ATOM 329 CB VAL A2067 0.997 -2.388 0.404 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.218 -1.935 1.183 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.122 -1.364 0.523 1.00 0.22 C ATOM 0 H VAL A2067 -0.585 -3.437 -1.157 1.00 0.21 H new ATOM 0 HA VAL A2067 1.522 -1.695 -1.580 1.00 0.18 H new ATOM 0 HB VAL A2067 0.655 -3.329 0.835 1.00 0.19 H new ATOM 0 HG11 VAL A2067 1.942 -1.762 2.223 1.00 0.20 H new ATOM 0 HG12 VAL A2067 2.987 -2.706 1.135 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.603 -1.011 0.751 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.351 -1.196 1.575 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.193 -0.426 0.066 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -1.011 -1.735 0.013 1.00 0.22 H new ATOM 341 N ALA A2068 2.439 -4.779 -0.932 1.00 0.15 N ATOM 342 CA ALA A2068 3.539 -5.719 -0.951 1.00 0.15 C ATOM 343 C ALA A2068 4.144 -5.843 -2.349 1.00 0.14 C ATOM 344 O ALA A2068 5.361 -5.779 -2.510 1.00 0.13 O ATOM 345 CB ALA A2068 3.045 -7.058 -0.437 1.00 0.17 C ATOM 0 H ALA A2068 1.533 -5.202 -0.728 1.00 0.15 H new ATOM 0 HA ALA A2068 4.336 -5.356 -0.301 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.865 -7.776 -0.446 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.675 -6.943 0.582 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.240 -7.419 -1.077 1.00 0.17 H new ATOM 351 N ALA A2069 3.290 -6.008 -3.352 1.00 0.17 N ATOM 352 CA ALA A2069 3.724 -6.084 -4.740 1.00 0.18 C ATOM 353 C ALA A2069 4.388 -4.784 -5.169 1.00 0.19 C ATOM 354 O ALA A2069 5.286 -4.777 -6.018 1.00 0.21 O ATOM 355 CB ALA A2069 2.542 -6.389 -5.647 1.00 0.23 C ATOM 0 H ALA A2069 2.281 -6.092 -3.226 1.00 0.17 H new ATOM 0 HA ALA A2069 4.453 -6.890 -4.825 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.881 -6.443 -6.681 1.00 0.23 H new ATOM 0 HB2 ALA A2069 2.100 -7.343 -5.360 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.796 -5.600 -5.551 1.00 0.23 H new ATOM 361 N ALA A2070 3.950 -3.689 -4.559 1.00 0.19 N ATOM 362 CA ALA A2070 4.491 -2.379 -4.846 1.00 0.21 C ATOM 363 C ALA A2070 5.962 -2.328 -4.483 1.00 0.20 C ATOM 364 O ALA A2070 6.793 -1.901 -5.284 1.00 0.23 O ATOM 365 CB ALA A2070 3.726 -1.315 -4.083 1.00 0.24 C ATOM 0 H ALA A2070 3.212 -3.691 -3.855 1.00 0.19 H new ATOM 0 HA ALA A2070 4.387 -2.185 -5.914 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.144 -0.334 -4.309 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.677 -1.339 -4.378 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.806 -1.506 -3.013 1.00 0.24 H new ATOM 371 N THR A2071 6.295 -2.795 -3.285 1.00 0.18 N ATOM 372 CA THR A2071 7.671 -2.717 -2.836 1.00 0.21 C ATOM 373 C THR A2071 8.462 -3.912 -3.334 1.00 0.21 C ATOM 374 O THR A2071 9.663 -3.827 -3.540 1.00 0.27 O ATOM 375 CB THR A2071 7.785 -2.540 -1.316 1.00 0.22 C ATOM 376 OG1 THR A2071 9.140 -2.302 -0.943 1.00 0.28 O ATOM 377 CG2 THR A2071 7.268 -3.739 -0.564 1.00 0.23 C ATOM 0 H THR A2071 5.645 -3.221 -2.624 1.00 0.18 H new ATOM 0 HA THR A2071 8.108 -1.819 -3.272 1.00 0.21 H new ATOM 0 HB THR A2071 7.169 -1.681 -1.051 1.00 0.22 H new ATOM 0 HG1 THR A2071 9.197 -2.190 0.029 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.369 -3.568 0.508 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.218 -3.897 -0.809 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.843 -4.621 -0.846 1.00 0.23 H new ATOM 385 N ALA A2072 7.778 -5.013 -3.573 1.00 0.18 N ATOM 386 CA ALA A2072 8.363 -6.118 -4.308 1.00 0.22 C ATOM 387 C ALA A2072 8.970 -5.593 -5.599 1.00 0.26 C ATOM 388 O ALA A2072 10.114 -5.900 -5.935 1.00 0.31 O ATOM 389 CB ALA A2072 7.286 -7.142 -4.602 1.00 0.22 C ATOM 0 H ALA A2072 6.817 -5.167 -3.269 1.00 0.18 H new ATOM 0 HA ALA A2072 9.148 -6.592 -3.719 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.718 -7.976 -5.155 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.865 -7.507 -3.665 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.499 -6.681 -5.198 1.00 0.22 H new ATOM 395 N THR A2073 8.205 -4.769 -6.295 1.00 0.27 N ATOM 396 CA THR A2073 8.670 -4.128 -7.506 1.00 0.34 C ATOM 397 C THR A2073 9.722 -3.059 -7.192 1.00 0.37 C ATOM 398 O THR A2073 10.783 -3.019 -7.812 1.00 0.43 O ATOM 399 CB THR A2073 7.492 -3.478 -8.253 1.00 0.38 C ATOM 400 OG1 THR A2073 6.492 -4.465 -8.554 1.00 0.40 O ATOM 401 CG2 THR A2073 7.972 -2.818 -9.530 1.00 0.46 C ATOM 0 H THR A2073 7.248 -4.528 -6.035 1.00 0.27 H new ATOM 0 HA THR A2073 9.123 -4.894 -8.136 1.00 0.34 H new ATOM 0 HB THR A2073 7.054 -2.714 -7.611 1.00 0.38 H new ATOM 0 HG1 THR A2073 5.985 -4.675 -7.742 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.126 -2.364 -10.045 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.705 -2.049 -9.288 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.431 -3.566 -10.176 1.00 0.46 H new ATOM 409 N VAL A2074 9.417 -2.211 -6.215 1.00 0.36 N ATOM 410 CA VAL A2074 10.257 -1.096 -5.839 1.00 0.41 C ATOM 411 C VAL A2074 11.673 -1.526 -5.400 1.00 0.47 C ATOM 412 O VAL A2074 12.657 -0.891 -5.778 1.00 0.56 O ATOM 413 CB VAL A2074 9.521 -0.310 -4.738 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.323 -0.177 -3.464 1.00 0.38 C ATOM 415 CG2 VAL A2074 9.070 1.038 -5.246 1.00 0.37 C ATOM 0 H VAL A2074 8.565 -2.286 -5.659 1.00 0.36 H new ATOM 0 HA VAL A2074 10.424 -0.461 -6.709 1.00 0.41 H new ATOM 0 HB VAL A2074 8.639 -0.895 -4.479 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.748 0.387 -2.729 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.544 -1.168 -3.068 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.256 0.346 -3.674 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.553 1.573 -4.449 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.937 1.615 -5.567 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.393 0.901 -6.089 1.00 0.37 H new ATOM 425 N LEU A2075 11.781 -2.600 -4.614 1.00 0.43 N ATOM 426 CA LEU A2075 13.085 -3.086 -4.173 1.00 0.52 C ATOM 427 C LEU A2075 13.736 -3.909 -5.279 1.00 0.60 C ATOM 428 O LEU A2075 14.954 -4.098 -5.302 1.00 0.74 O ATOM 429 CB LEU A2075 12.942 -3.937 -2.910 1.00 0.49 C ATOM 430 CG LEU A2075 11.876 -3.461 -1.919 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.609 -4.518 -0.864 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.274 -2.151 -1.263 1.00 0.52 C ATOM 0 H LEU A2075 10.988 -3.143 -4.274 1.00 0.43 H new ATOM 0 HA LEU A2075 13.715 -2.226 -3.946 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.709 -4.960 -3.205 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.904 -3.964 -2.399 1.00 0.49 H new ATOM 0 HG LEU A2075 10.958 -3.291 -2.482 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.848 -4.157 -0.172 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.258 -5.431 -1.345 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.528 -4.726 -0.317 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.495 -1.842 -0.566 1.00 0.52 H new ATOM 0 HD22 LEU A2075 13.212 -2.284 -0.724 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.401 -1.385 -2.028 1.00 0.52 H new ATOM 444 N GLY A2076 12.904 -4.398 -6.193 1.00 0.57 N ATOM 445 CA GLY A2076 13.392 -5.140 -7.337 1.00 0.67 C ATOM 446 C GLY A2076 13.472 -6.633 -7.094 1.00 0.65 C ATOM 447 O GLY A2076 14.385 -7.295 -7.582 1.00 0.93 O ATOM 0 H GLY A2076 11.890 -4.291 -6.159 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.738 -4.952 -8.189 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.381 -4.769 -7.607 1.00 0.67 H new ATOM 451 N HIS A2077 12.515 -7.175 -6.347 1.00 0.51 N ATOM 452 CA HIS A2077 12.503 -8.610 -6.075 1.00 0.66 C ATOM 453 C HIS A2077 11.183 -9.244 -6.523 1.00 0.68 C ATOM 454 O HIS A2077 11.034 -10.463 -6.525 1.00 0.97 O ATOM 455 CB HIS A2077 12.810 -8.891 -4.596 1.00 0.81 C ATOM 456 CG HIS A2077 11.715 -8.612 -3.626 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.970 -9.603 -3.040 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.305 -7.456 -3.068 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.152 -9.068 -2.162 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.335 -7.762 -2.154 1.00 0.80 N ATOM 0 H HIS A2077 11.748 -6.652 -5.924 1.00 0.51 H new ATOM 0 HA HIS A2077 13.295 -9.077 -6.661 1.00 0.66 H new ATOM 0 HB2 HIS A2077 13.093 -9.939 -4.499 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.679 -8.299 -4.309 1.00 0.81 H new ATOM 0 HD1 HIS A2077 11.040 -10.598 -3.252 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.675 -6.468 -3.300 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.446 -9.608 -1.548 1.00 0.61 H new ATOM 469 N HIS A2078 10.231 -8.381 -6.880 1.00 0.62 N ATOM 470 CA HIS A2078 9.002 -8.757 -7.597 1.00 0.69 C ATOM 471 C HIS A2078 7.985 -9.536 -6.762 1.00 0.80 C ATOM 472 O HIS A2078 6.784 -9.395 -6.988 1.00 1.56 O ATOM 473 CB HIS A2078 9.330 -9.517 -8.884 1.00 0.81 C ATOM 474 CG HIS A2078 10.004 -8.659 -9.907 1.00 0.88 C ATOM 475 ND1 HIS A2078 9.318 -7.949 -10.865 1.00 0.93 N ATOM 476 CD2 HIS A2078 11.312 -8.371 -10.096 1.00 0.96 C ATOM 477 CE1 HIS A2078 10.174 -7.262 -11.596 1.00 1.03 C ATOM 478 NE2 HIS A2078 11.393 -7.499 -11.151 1.00 1.05 N ATOM 0 H HIS A2078 10.289 -7.383 -6.678 1.00 0.62 H new ATOM 0 HA HIS A2078 8.518 -7.811 -7.839 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.973 -10.365 -8.646 1.00 0.81 H new ATOM 0 HB3 HIS A2078 8.410 -9.923 -9.305 1.00 0.81 H new ATOM 0 HD2 HIS A2078 12.141 -8.757 -9.521 1.00 0.96 H new ATOM 0 HE1 HIS A2078 9.919 -6.614 -12.421 1.00 1.03 H new ATOM 0 HE2 HIS A2078 12.252 -7.100 -11.529 1.00 1.05 H new ATOM 487 N THR A2079 8.423 -10.342 -5.809 1.00 0.64 N ATOM 488 CA THR A2079 7.478 -11.122 -5.026 1.00 0.67 C ATOM 489 C THR A2079 6.830 -10.327 -3.897 1.00 0.44 C ATOM 490 O THR A2079 7.510 -9.780 -3.036 1.00 0.54 O ATOM 491 CB THR A2079 8.098 -12.343 -4.385 1.00 1.02 C ATOM 492 OG1 THR A2079 9.358 -12.011 -3.795 1.00 1.82 O ATOM 493 CG2 THR A2079 8.258 -13.475 -5.369 1.00 0.59 C ATOM 0 H THR A2079 9.404 -10.473 -5.562 1.00 0.64 H new ATOM 0 HA THR A2079 6.730 -11.416 -5.763 1.00 0.67 H new ATOM 0 HB THR A2079 7.419 -12.683 -3.603 1.00 1.02 H new ATOM 0 HG1 THR A2079 9.819 -12.832 -3.525 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.707 -14.332 -4.867 1.00 0.59 H new ATOM 0 HG22 THR A2079 7.281 -13.756 -5.763 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.902 -13.156 -6.189 1.00 0.59 H new ATOM 501 N PRO A2080 5.500 -10.285 -3.877 1.00 0.29 N ATOM 502 CA PRO A2080 4.720 -9.695 -2.796 1.00 0.32 C ATOM 503 C PRO A2080 4.491 -10.713 -1.684 1.00 0.45 C ATOM 504 O PRO A2080 4.024 -10.384 -0.592 1.00 0.51 O ATOM 505 CB PRO A2080 3.394 -9.330 -3.489 1.00 0.39 C ATOM 506 CG PRO A2080 3.608 -9.661 -4.932 1.00 0.39 C ATOM 507 CD PRO A2080 4.621 -10.763 -4.921 1.00 0.32 C ATOM 0 HA PRO A2080 5.206 -8.842 -2.324 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.562 -9.898 -3.073 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.157 -8.274 -3.357 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.680 -9.980 -5.407 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.970 -8.796 -5.488 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.181 -11.732 -4.684 1.00 0.32 H new ATOM 0 HD3 PRO A2080 5.131 -10.870 -5.878 1.00 0.32 H new ATOM 515 N GLU A2081 4.826 -11.961 -1.988 1.00 0.53 N ATOM 516 CA GLU A2081 4.737 -13.049 -1.030 1.00 0.64 C ATOM 517 C GLU A2081 5.963 -13.053 -0.127 1.00 0.56 C ATOM 518 O GLU A2081 5.950 -13.633 0.955 1.00 0.70 O ATOM 519 CB GLU A2081 4.608 -14.387 -1.763 1.00 0.84 C ATOM 520 CG GLU A2081 5.725 -14.648 -2.762 1.00 0.93 C ATOM 521 CD GLU A2081 5.558 -15.960 -3.500 1.00 1.28 C ATOM 522 OE1 GLU A2081 4.946 -15.961 -4.590 1.00 1.54 O ATOM 523 OE2 GLU A2081 6.041 -16.994 -2.999 1.00 1.45 O ATOM 0 H GLU A2081 5.167 -12.244 -2.907 1.00 0.53 H new ATOM 0 HA GLU A2081 3.851 -12.905 -0.412 1.00 0.64 H new ATOM 0 HB2 GLU A2081 4.593 -15.193 -1.029 1.00 0.84 H new ATOM 0 HB3 GLU A2081 3.652 -14.414 -2.286 1.00 0.84 H new ATOM 0 HG2 GLU A2081 5.758 -13.832 -3.484 1.00 0.93 H new ATOM 0 HG3 GLU A2081 6.681 -14.650 -2.239 1.00 0.93 H new ATOM 530 N SER A2082 7.020 -12.387 -0.577 1.00 0.43 N ATOM 531 CA SER A2082 8.251 -12.296 0.196 1.00 0.43 C ATOM 532 C SER A2082 8.301 -10.977 0.965 1.00 0.33 C ATOM 533 O SER A2082 9.370 -10.502 1.349 1.00 0.38 O ATOM 534 CB SER A2082 9.454 -12.422 -0.735 1.00 0.54 C ATOM 535 OG SER A2082 10.674 -12.457 -0.015 1.00 0.63 O ATOM 0 H SER A2082 7.048 -11.902 -1.474 1.00 0.43 H new ATOM 0 HA SER A2082 8.279 -13.111 0.919 1.00 0.43 H new ATOM 0 HB2 SER A2082 9.358 -13.329 -1.332 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.466 -11.582 -1.430 1.00 0.54 H new ATOM 0 HG SER A2082 10.648 -11.793 0.705 1.00 0.63 H new ATOM 541 N ILE A2083 7.136 -10.391 1.179 1.00 0.25 N ATOM 542 CA ILE A2083 7.031 -9.109 1.864 1.00 0.17 C ATOM 543 C ILE A2083 6.537 -9.300 3.293 1.00 0.15 C ATOM 544 O ILE A2083 5.408 -9.741 3.512 1.00 0.22 O ATOM 545 CB ILE A2083 6.063 -8.172 1.113 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.446 -8.104 -0.361 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.065 -6.774 1.724 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.704 -7.320 -0.625 1.00 0.22 C ATOM 0 H ILE A2083 6.241 -10.784 0.887 1.00 0.25 H new ATOM 0 HA ILE A2083 8.024 -8.660 1.886 1.00 0.17 H new ATOM 0 HB ILE A2083 5.055 -8.577 1.204 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.574 -9.118 -0.741 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.625 -7.655 -0.920 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.374 -6.136 1.174 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.754 -6.832 2.767 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.069 -6.354 1.668 1.00 0.12 H new ATOM 0 HD11 ILE A2083 7.912 -7.316 -1.695 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.574 -6.295 -0.277 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.538 -7.780 -0.095 1.00 0.22 H new ATOM 560 N SER A2084 7.390 -8.985 4.257 1.00 0.14 N ATOM 561 CA SER A2084 7.021 -9.064 5.662 1.00 0.14 C ATOM 562 C SER A2084 6.280 -7.799 6.088 1.00 0.12 C ATOM 563 O SER A2084 6.862 -6.716 6.114 1.00 0.12 O ATOM 564 CB SER A2084 8.269 -9.248 6.526 1.00 0.19 C ATOM 565 OG SER A2084 8.981 -10.413 6.146 1.00 0.28 O ATOM 0 H SER A2084 8.346 -8.671 4.090 1.00 0.14 H new ATOM 0 HA SER A2084 6.363 -9.922 5.799 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.915 -8.375 6.430 1.00 0.19 H new ATOM 0 HB3 SER A2084 7.982 -9.318 7.575 1.00 0.19 H new ATOM 0 HG SER A2084 9.776 -10.509 6.711 1.00 0.28 H new ATOM 571 N PRO A2085 4.983 -7.919 6.427 1.00 0.12 N ATOM 572 CA PRO A2085 4.171 -6.773 6.841 1.00 0.12 C ATOM 573 C PRO A2085 4.608 -6.212 8.178 1.00 0.12 C ATOM 574 O PRO A2085 4.399 -5.035 8.468 1.00 0.13 O ATOM 575 CB PRO A2085 2.757 -7.337 6.962 1.00 0.15 C ATOM 576 CG PRO A2085 2.927 -8.811 7.107 1.00 0.15 C ATOM 577 CD PRO A2085 4.211 -9.174 6.415 1.00 0.14 C ATOM 0 HA PRO A2085 4.258 -5.953 6.128 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.239 -6.915 7.823 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.161 -7.095 6.082 1.00 0.15 H new ATOM 0 HG2 PRO A2085 2.962 -9.094 8.159 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.085 -9.342 6.662 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.736 -9.972 6.940 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.033 -9.524 5.398 1.00 0.14 H new ATOM 585 N ALA A2086 5.203 -7.068 8.989 1.00 0.11 N ATOM 586 CA ALA A2086 5.628 -6.676 10.318 1.00 0.12 C ATOM 587 C ALA A2086 6.910 -5.856 10.272 1.00 0.11 C ATOM 588 O ALA A2086 7.144 -5.009 11.135 1.00 0.14 O ATOM 589 CB ALA A2086 5.809 -7.901 11.197 1.00 0.14 C ATOM 0 H ALA A2086 5.402 -8.039 8.749 1.00 0.11 H new ATOM 0 HA ALA A2086 4.848 -6.047 10.748 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.128 -7.591 12.192 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.864 -8.439 11.270 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.565 -8.554 10.760 1.00 0.14 H new ATOM 595 N THR A2087 7.744 -6.110 9.274 1.00 0.10 N ATOM 596 CA THR A2087 8.941 -5.323 9.083 1.00 0.11 C ATOM 597 C THR A2087 8.575 -3.992 8.477 1.00 0.10 C ATOM 598 O THR A2087 7.659 -3.890 7.659 1.00 0.10 O ATOM 599 CB THR A2087 9.943 -6.002 8.146 1.00 0.14 C ATOM 600 OG1 THR A2087 10.197 -7.345 8.576 1.00 0.16 O ATOM 601 CG2 THR A2087 11.250 -5.217 8.073 1.00 0.16 C ATOM 0 H THR A2087 7.610 -6.854 8.589 1.00 0.10 H new ATOM 0 HA THR A2087 9.404 -5.206 10.063 1.00 0.11 H new ATOM 0 HB THR A2087 9.505 -6.026 7.148 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.838 -7.768 7.967 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.942 -5.724 7.400 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.051 -4.213 7.700 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.692 -5.153 9.067 1.00 0.16 H new ATOM 609 N ALA A2088 9.305 -2.987 8.865 1.00 0.12 N ATOM 610 CA ALA A2088 9.084 -1.657 8.360 1.00 0.12 C ATOM 611 C ALA A2088 9.754 -1.508 7.018 1.00 0.11 C ATOM 612 O ALA A2088 10.837 -2.056 6.808 1.00 0.12 O ATOM 613 CB ALA A2088 9.592 -0.612 9.336 1.00 0.15 C ATOM 0 H ALA A2088 10.068 -3.062 9.538 1.00 0.12 H new ATOM 0 HA ALA A2088 8.012 -1.500 8.241 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.412 0.383 8.929 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.068 -0.716 10.286 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.661 -0.752 9.495 1.00 0.15 H new ATOM 619 N PHE A2089 9.101 -0.804 6.111 1.00 0.10 N ATOM 620 CA PHE A2089 9.639 -0.588 4.766 1.00 0.09 C ATOM 621 C PHE A2089 11.109 -0.206 4.809 1.00 0.09 C ATOM 622 O PHE A2089 11.910 -0.691 4.007 1.00 0.12 O ATOM 623 CB PHE A2089 8.852 0.504 4.061 1.00 0.09 C ATOM 624 CG PHE A2089 7.518 0.050 3.563 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.431 -0.895 2.556 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.356 0.569 4.096 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.204 -1.316 2.092 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.127 0.153 3.634 1.00 0.12 C ATOM 629 CZ PHE A2089 5.052 -0.792 2.631 1.00 0.10 C ATOM 0 H PHE A2089 8.194 -0.368 6.275 1.00 0.10 H new ATOM 0 HA PHE A2089 9.545 -1.525 4.216 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.710 1.339 4.747 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.437 0.878 3.221 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.334 -1.307 2.130 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.411 1.308 4.882 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.147 -2.056 1.307 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.223 0.566 4.056 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.089 -1.120 2.269 1.00 0.10 H new ATOM 639 N LYS A2090 11.439 0.668 5.745 1.00 0.12 N ATOM 640 CA LYS A2090 12.806 1.055 6.011 1.00 0.16 C ATOM 641 C LYS A2090 13.745 -0.148 6.008 1.00 0.17 C ATOM 642 O LYS A2090 14.635 -0.252 5.162 1.00 0.20 O ATOM 643 CB LYS A2090 12.871 1.729 7.375 1.00 0.21 C ATOM 644 CG LYS A2090 14.266 2.145 7.765 1.00 0.29 C ATOM 645 CD LYS A2090 14.750 3.256 6.875 1.00 0.38 C ATOM 646 CE LYS A2090 14.054 4.555 7.206 1.00 1.54 C ATOM 647 NZ LYS A2090 14.446 5.650 6.284 1.00 1.69 N ATOM 0 H LYS A2090 10.756 1.131 6.345 1.00 0.12 H new ATOM 0 HA LYS A2090 13.126 1.736 5.223 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.225 2.607 7.371 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.478 1.047 8.129 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.277 2.472 8.805 1.00 0.29 H new ATOM 0 HG3 LYS A2090 14.941 1.292 7.692 1.00 0.29 H new ATOM 0 HD2 LYS A2090 15.827 3.376 6.990 1.00 0.38 H new ATOM 0 HD3 LYS A2090 14.568 2.997 5.832 1.00 0.38 H new ATOM 0 HE2 LYS A2090 12.975 4.410 7.157 1.00 1.54 H new ATOM 0 HE3 LYS A2090 14.291 4.842 8.230 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 13.945 6.522 6.548 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.472 5.807 6.348 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 14.196 5.389 5.309 1.00 1.69 H new ATOM 661 N ASP A2091 13.527 -1.048 6.959 1.00 0.17 N ATOM 662 CA ASP A2091 14.357 -2.241 7.104 1.00 0.20 C ATOM 663 C ASP A2091 14.289 -3.114 5.852 1.00 0.20 C ATOM 664 O ASP A2091 15.259 -3.778 5.485 1.00 0.32 O ATOM 665 CB ASP A2091 13.919 -3.046 8.329 1.00 0.24 C ATOM 666 CG ASP A2091 14.906 -4.137 8.694 1.00 1.23 C ATOM 667 OD1 ASP A2091 14.700 -5.302 8.290 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.898 -3.832 9.393 1.00 1.15 O ATOM 0 H ASP A2091 12.777 -0.975 7.647 1.00 0.17 H new ATOM 0 HA ASP A2091 15.389 -1.919 7.240 1.00 0.20 H new ATOM 0 HB2 ASP A2091 13.798 -2.372 9.177 1.00 0.24 H new ATOM 0 HB3 ASP A2091 12.944 -3.493 8.135 1.00 0.24 H new ATOM 673 N LEU A2092 13.142 -3.076 5.185 1.00 0.16 N ATOM 674 CA LEU A2092 12.894 -3.879 3.994 1.00 0.18 C ATOM 675 C LEU A2092 13.695 -3.395 2.789 1.00 0.19 C ATOM 676 O LEU A2092 13.784 -4.092 1.780 1.00 0.24 O ATOM 677 CB LEU A2092 11.399 -3.863 3.679 1.00 0.17 C ATOM 678 CG LEU A2092 10.543 -4.570 4.723 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.067 -4.295 4.520 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.809 -6.056 4.677 1.00 0.23 C ATOM 0 H LEU A2092 12.355 -2.486 5.456 1.00 0.16 H new ATOM 0 HA LEU A2092 13.222 -4.897 4.201 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.067 -2.829 3.590 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.236 -4.334 2.710 1.00 0.17 H new ATOM 0 HG LEU A2092 10.816 -4.179 5.703 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.491 -4.817 5.284 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.883 -3.223 4.595 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.764 -4.647 3.534 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.196 -6.559 5.425 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.562 -6.439 3.687 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.862 -6.244 4.886 1.00 0.23 H new ATOM 692 N GLY A2093 14.274 -2.209 2.889 1.00 0.16 N ATOM 693 CA GLY A2093 15.102 -1.708 1.811 1.00 0.18 C ATOM 694 C GLY A2093 14.476 -0.535 1.092 1.00 0.15 C ATOM 695 O GLY A2093 14.897 -0.177 -0.010 1.00 0.20 O ATOM 0 H GLY A2093 14.187 -1.587 3.692 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.071 -1.409 2.211 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.286 -2.510 1.097 1.00 0.18 H new ATOM 699 N ILE A2094 13.456 0.052 1.698 1.00 0.13 N ATOM 700 CA ILE A2094 12.800 1.206 1.131 1.00 0.12 C ATOM 701 C ILE A2094 13.578 2.488 1.389 1.00 0.12 C ATOM 702 O ILE A2094 13.797 2.883 2.538 1.00 0.16 O ATOM 703 CB ILE A2094 11.376 1.313 1.693 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.482 0.317 0.968 1.00 0.18 C ATOM 705 CG2 ILE A2094 10.831 2.723 1.587 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.059 0.780 -0.403 1.00 0.32 C ATOM 0 H ILE A2094 13.067 -0.259 2.588 1.00 0.13 H new ATOM 0 HA ILE A2094 12.756 1.075 0.050 1.00 0.12 H new ATOM 0 HB ILE A2094 11.398 1.073 2.756 1.00 0.12 H new ATOM 0 HG12 ILE A2094 11.009 -0.633 0.876 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.593 0.132 1.571 1.00 0.18 H new ATOM 0 HG21 ILE A2094 9.821 2.754 1.996 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.471 3.404 2.148 1.00 0.18 H new ATOM 0 HG23 ILE A2094 10.808 3.027 0.540 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.424 0.023 -0.863 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.505 1.715 -0.316 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.942 0.938 -1.022 1.00 0.32 H new ATOM 718 N ASP A2095 14.001 3.127 0.305 1.00 0.15 N ATOM 719 CA ASP A2095 14.646 4.428 0.385 1.00 0.19 C ATOM 720 C ASP A2095 13.585 5.511 0.293 1.00 0.16 C ATOM 721 O ASP A2095 12.415 5.197 0.124 1.00 0.17 O ATOM 722 CB ASP A2095 15.674 4.610 -0.738 1.00 0.28 C ATOM 723 CG ASP A2095 16.944 3.813 -0.521 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.799 4.251 0.275 1.00 1.23 O ATOM 725 OD2 ASP A2095 17.081 2.730 -1.128 1.00 1.86 O ATOM 0 H ASP A2095 13.907 2.762 -0.643 1.00 0.15 H new ATOM 0 HA ASP A2095 15.175 4.498 1.336 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.224 4.313 -1.685 1.00 0.28 H new ATOM 0 HB3 ASP A2095 15.926 5.667 -0.823 1.00 0.28 H new ATOM 730 N SER A2096 13.969 6.770 0.382 1.00 0.19 N ATOM 731 CA SER A2096 12.995 7.853 0.313 1.00 0.20 C ATOM 732 C SER A2096 12.392 7.954 -1.091 1.00 0.17 C ATOM 733 O SER A2096 11.229 8.324 -1.255 1.00 0.20 O ATOM 734 CB SER A2096 13.649 9.172 0.723 1.00 0.26 C ATOM 735 OG SER A2096 14.231 9.064 2.014 1.00 1.32 O ATOM 0 H SER A2096 14.936 7.071 0.501 1.00 0.19 H new ATOM 0 HA SER A2096 12.183 7.638 1.008 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.413 9.446 -0.004 1.00 0.26 H new ATOM 0 HB3 SER A2096 12.905 9.969 0.719 1.00 0.26 H new ATOM 0 HG SER A2096 14.646 9.918 2.258 1.00 1.32 H new ATOM 741 N LEU A2097 13.180 7.587 -2.096 1.00 0.17 N ATOM 742 CA LEU A2097 12.728 7.601 -3.483 1.00 0.19 C ATOM 743 C LEU A2097 11.747 6.488 -3.720 1.00 0.18 C ATOM 744 O LEU A2097 10.690 6.688 -4.295 1.00 0.24 O ATOM 745 CB LEU A2097 13.910 7.409 -4.416 1.00 0.23 C ATOM 746 CG LEU A2097 15.049 8.396 -4.220 1.00 1.07 C ATOM 747 CD1 LEU A2097 16.194 8.088 -5.167 1.00 1.61 C ATOM 748 CD2 LEU A2097 14.564 9.827 -4.410 1.00 1.55 C ATOM 0 H LEU A2097 14.143 7.274 -1.974 1.00 0.17 H new ATOM 0 HA LEU A2097 12.251 8.561 -3.678 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.298 6.399 -4.284 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.558 7.483 -5.445 1.00 0.23 H new ATOM 0 HG LEU A2097 15.414 8.294 -3.198 1.00 1.07 H new ATOM 0 HD11 LEU A2097 16.999 8.806 -5.010 1.00 1.61 H new ATOM 0 HD12 LEU A2097 16.564 7.081 -4.975 1.00 1.61 H new ATOM 0 HD13 LEU A2097 15.843 8.156 -6.197 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.396 10.516 -4.265 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.166 9.946 -5.418 1.00 1.55 H new ATOM 0 HD23 LEU A2097 13.781 10.045 -3.683 1.00 1.55 H new ATOM 760 N THR A2098 12.106 5.305 -3.296 1.00 0.14 N ATOM 761 CA THR A2098 11.209 4.177 -3.440 1.00 0.15 C ATOM 762 C THR A2098 10.034 4.227 -2.477 1.00 0.16 C ATOM 763 O THR A2098 8.966 3.698 -2.779 1.00 0.17 O ATOM 764 CB THR A2098 11.925 2.845 -3.337 1.00 0.15 C ATOM 765 OG1 THR A2098 13.087 2.965 -2.504 1.00 0.17 O ATOM 766 CG2 THR A2098 12.300 2.385 -4.727 1.00 0.19 C ATOM 0 H THR A2098 13.000 5.093 -2.853 1.00 0.14 H new ATOM 0 HA THR A2098 10.807 4.262 -4.450 1.00 0.15 H new ATOM 0 HB THR A2098 11.267 2.106 -2.880 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.538 2.097 -2.445 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.816 1.427 -4.666 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.398 2.274 -5.329 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.956 3.122 -5.189 1.00 0.19 H new ATOM 774 N ALA A2099 10.211 4.870 -1.332 1.00 0.16 N ATOM 775 CA ALA A2099 9.081 5.190 -0.471 1.00 0.18 C ATOM 776 C ALA A2099 8.118 6.067 -1.247 1.00 0.21 C ATOM 777 O ALA A2099 6.913 6.100 -0.990 1.00 0.24 O ATOM 778 CB ALA A2099 9.537 5.911 0.789 1.00 0.18 C ATOM 0 H ALA A2099 11.117 5.178 -0.980 1.00 0.16 H new ATOM 0 HA ALA A2099 8.592 4.265 -0.165 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.672 6.137 1.412 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.227 5.274 1.343 1.00 0.18 H new ATOM 0 HB3 ALA A2099 10.039 6.839 0.516 1.00 0.18 H new ATOM 784 N LEU A2100 8.676 6.755 -2.224 1.00 0.20 N ATOM 785 CA LEU A2100 7.939 7.655 -3.060 1.00 0.24 C ATOM 786 C LEU A2100 7.339 6.893 -4.226 1.00 0.20 C ATOM 787 O LEU A2100 6.186 7.097 -4.593 1.00 0.21 O ATOM 788 CB LEU A2100 8.883 8.774 -3.511 1.00 0.30 C ATOM 789 CG LEU A2100 8.578 9.404 -4.853 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.287 10.198 -4.789 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.739 10.262 -5.305 1.00 1.15 C ATOM 0 H LEU A2100 9.668 6.697 -2.455 1.00 0.20 H new ATOM 0 HA LEU A2100 7.108 8.107 -2.518 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.872 9.558 -2.754 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.897 8.375 -3.542 1.00 0.30 H new ATOM 0 HG LEU A2100 8.440 8.614 -5.591 1.00 0.24 H new ATOM 0 HD11 LEU A2100 7.085 10.643 -5.763 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.466 9.536 -4.515 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.381 10.987 -4.042 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.506 10.709 -6.271 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.915 11.051 -4.573 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.633 9.645 -5.396 1.00 1.15 H new ATOM 803 N GLU A2101 8.114 5.991 -4.780 1.00 0.21 N ATOM 804 CA GLU A2101 7.632 5.126 -5.837 1.00 0.20 C ATOM 805 C GLU A2101 6.464 4.278 -5.345 1.00 0.17 C ATOM 806 O GLU A2101 5.528 3.996 -6.097 1.00 0.17 O ATOM 807 CB GLU A2101 8.762 4.249 -6.333 1.00 0.23 C ATOM 808 CG GLU A2101 9.958 5.060 -6.760 1.00 0.28 C ATOM 809 CD GLU A2101 10.887 4.311 -7.688 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.089 4.195 -7.364 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.416 3.805 -8.726 1.00 0.45 O ATOM 0 H GLU A2101 9.087 5.835 -4.516 1.00 0.21 H new ATOM 0 HA GLU A2101 7.275 5.740 -6.664 1.00 0.20 H new ATOM 0 HB2 GLU A2101 9.056 3.556 -5.545 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.413 3.648 -7.172 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.615 5.968 -7.256 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.513 5.371 -5.875 1.00 0.28 H new ATOM 818 N LEU A2102 6.523 3.873 -4.079 1.00 0.16 N ATOM 819 CA LEU A2102 5.426 3.160 -3.451 1.00 0.16 C ATOM 820 C LEU A2102 4.138 3.954 -3.470 1.00 0.16 C ATOM 821 O LEU A2102 3.208 3.600 -4.181 1.00 0.21 O ATOM 822 CB LEU A2102 5.765 2.820 -2.013 1.00 0.22 C ATOM 823 CG LEU A2102 6.764 1.696 -1.839 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.647 1.106 -0.459 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.551 0.636 -2.896 1.00 1.13 C ATOM 0 H LEU A2102 7.326 4.030 -3.469 1.00 0.16 H new ATOM 0 HA LEU A2102 5.278 2.249 -4.030 1.00 0.16 H new ATOM 0 HB2 LEU A2102 6.158 3.713 -1.527 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.846 2.552 -1.492 1.00 0.22 H new ATOM 0 HG LEU A2102 7.770 2.098 -1.957 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.370 0.299 -0.346 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.845 1.878 0.285 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.640 0.714 -0.315 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.276 -0.166 -2.758 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.542 0.232 -2.808 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.680 1.077 -3.885 1.00 1.13 H new ATOM 837 N ARG A2103 4.080 5.016 -2.678 1.00 0.18 N ATOM 838 CA ARG A2103 2.851 5.812 -2.573 1.00 0.25 C ATOM 839 C ARG A2103 2.415 6.331 -3.943 1.00 0.22 C ATOM 840 O ARG A2103 1.230 6.557 -4.169 1.00 0.24 O ATOM 841 CB ARG A2103 2.975 6.960 -1.548 1.00 0.37 C ATOM 842 CG ARG A2103 3.504 8.283 -2.073 1.00 0.72 C ATOM 843 CD ARG A2103 4.998 8.218 -2.219 1.00 0.65 C ATOM 844 NE ARG A2103 5.657 9.522 -2.156 1.00 1.21 N ATOM 845 CZ ARG A2103 6.693 9.783 -1.346 1.00 1.49 C ATOM 846 NH1 ARG A2103 7.039 8.909 -0.409 1.00 1.92 N ATOM 847 NH2 ARG A2103 7.379 10.915 -1.467 1.00 2.11 N ATOM 0 H ARG A2103 4.855 5.348 -2.104 1.00 0.18 H new ATOM 0 HA ARG A2103 2.073 5.146 -2.199 1.00 0.25 H new ATOM 0 HB2 ARG A2103 1.992 7.135 -1.111 1.00 0.37 H new ATOM 0 HB3 ARG A2103 3.628 6.628 -0.741 1.00 0.37 H new ATOM 0 HG2 ARG A2103 3.046 8.511 -3.035 1.00 0.72 H new ATOM 0 HG3 ARG A2103 3.232 9.089 -1.392 1.00 0.72 H new ATOM 0 HD2 ARG A2103 5.402 7.579 -1.434 1.00 0.65 H new ATOM 0 HD3 ARG A2103 5.240 7.745 -3.171 1.00 0.65 H new ATOM 0 HE ARG A2103 5.312 10.270 -2.758 1.00 1.21 H new ATOM 0 HH11 ARG A2103 6.517 8.039 -0.305 1.00 1.92 H new ATOM 0 HH12 ARG A2103 7.827 9.107 0.207 1.00 1.92 H new ATOM 0 HH21 ARG A2103 7.119 11.595 -2.181 1.00 2.11 H new ATOM 0 HH22 ARG A2103 8.165 11.104 -0.846 1.00 2.11 H new ATOM 861 N ASN A2104 3.372 6.487 -4.855 1.00 0.21 N ATOM 862 CA ASN A2104 3.064 6.791 -6.245 1.00 0.22 C ATOM 863 C ASN A2104 2.210 5.679 -6.851 1.00 0.23 C ATOM 864 O ASN A2104 1.103 5.918 -7.329 1.00 0.29 O ATOM 865 CB ASN A2104 4.353 6.956 -7.059 1.00 0.23 C ATOM 866 CG ASN A2104 4.860 8.386 -7.091 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.094 9.335 -6.916 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.151 8.549 -7.341 1.00 0.36 N ATOM 0 H ASN A2104 4.369 6.407 -4.653 1.00 0.21 H new ATOM 0 HA ASN A2104 2.507 7.728 -6.276 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.126 6.313 -6.638 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.177 6.617 -8.080 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.545 9.488 -7.395 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.750 7.735 -7.480 1.00 0.36 H new ATOM 875 N THR A2105 2.733 4.459 -6.795 1.00 0.21 N ATOM 876 CA THR A2105 2.041 3.279 -7.303 1.00 0.24 C ATOM 877 C THR A2105 0.741 3.032 -6.531 1.00 0.22 C ATOM 878 O THR A2105 -0.301 2.731 -7.120 1.00 0.24 O ATOM 879 CB THR A2105 2.946 2.032 -7.186 1.00 0.28 C ATOM 880 OG1 THR A2105 4.216 2.289 -7.807 1.00 0.33 O ATOM 881 CG2 THR A2105 2.301 0.814 -7.835 1.00 0.28 C ATOM 0 H THR A2105 3.650 4.260 -6.396 1.00 0.21 H new ATOM 0 HA THR A2105 1.802 3.459 -8.351 1.00 0.24 H new ATOM 0 HB THR A2105 3.088 1.821 -6.126 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.763 2.846 -7.215 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.964 -0.045 -7.735 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.352 0.600 -7.344 1.00 0.28 H new ATOM 0 HG23 THR A2105 2.125 1.015 -8.892 1.00 0.28 H new ATOM 889 N LEU A2106 0.817 3.176 -5.213 1.00 0.20 N ATOM 890 CA LEU A2106 -0.316 2.943 -4.323 1.00 0.19 C ATOM 891 C LEU A2106 -1.469 3.887 -4.621 1.00 0.18 C ATOM 892 O LEU A2106 -2.566 3.436 -4.922 1.00 0.22 O ATOM 893 CB LEU A2106 0.114 3.114 -2.862 1.00 0.28 C ATOM 894 CG LEU A2106 0.635 1.859 -2.155 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.663 1.130 -3.002 1.00 1.25 C ATOM 896 CD2 LEU A2106 1.235 2.233 -0.811 1.00 1.47 C ATOM 0 H LEU A2106 1.669 3.459 -4.729 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.657 1.922 -4.492 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.892 3.877 -2.822 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.737 3.496 -2.298 1.00 0.28 H new ATOM 0 HG LEU A2106 -0.208 1.185 -2.000 1.00 0.50 H new ATOM 0 HD11 LEU A2106 2.011 0.245 -2.470 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.210 0.830 -3.947 1.00 1.25 H new ATOM 0 HD13 LEU A2106 2.507 1.791 -3.198 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.603 1.335 -0.314 1.00 1.47 H new ATOM 0 HD22 LEU A2106 2.060 2.929 -0.962 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.473 2.704 -0.191 1.00 1.47 H new ATOM 908 N THR A2107 -1.224 5.190 -4.546 1.00 0.19 N ATOM 909 CA THR A2107 -2.291 6.167 -4.727 1.00 0.27 C ATOM 910 C THR A2107 -2.853 6.083 -6.151 1.00 0.29 C ATOM 911 O THR A2107 -4.023 6.373 -6.389 1.00 0.33 O ATOM 912 CB THR A2107 -1.821 7.604 -4.384 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.943 8.443 -4.108 1.00 0.67 O ATOM 914 CG2 THR A2107 -1.006 8.222 -5.504 1.00 0.44 C ATOM 0 H THR A2107 -0.305 5.592 -4.363 1.00 0.19 H new ATOM 0 HA THR A2107 -3.092 5.925 -4.028 1.00 0.27 H new ATOM 0 HB THR A2107 -1.186 7.526 -3.502 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.548 8.445 -4.879 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.699 9.228 -5.218 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.122 7.612 -5.690 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.610 8.271 -6.410 1.00 0.44 H new ATOM 922 N HIS A2108 -2.008 5.656 -7.084 1.00 0.29 N ATOM 923 CA HIS A2108 -2.426 5.388 -8.455 1.00 0.35 C ATOM 924 C HIS A2108 -3.384 4.198 -8.498 1.00 0.35 C ATOM 925 O HIS A2108 -4.480 4.277 -9.053 1.00 0.47 O ATOM 926 CB HIS A2108 -1.187 5.098 -9.303 1.00 0.38 C ATOM 927 CG HIS A2108 -1.464 4.822 -10.746 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.509 5.800 -11.713 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.696 3.654 -11.383 1.00 1.06 C ATOM 930 CE1 HIS A2108 -1.759 5.244 -12.885 1.00 1.01 C ATOM 931 NE2 HIS A2108 -1.877 3.940 -12.712 1.00 1.29 N ATOM 0 H HIS A2108 -1.017 5.487 -6.911 1.00 0.29 H new ATOM 0 HA HIS A2108 -2.948 6.259 -8.852 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.510 5.949 -9.234 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.666 4.241 -8.877 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.732 2.675 -10.929 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -1.851 5.767 -13.825 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.071 3.258 -13.446 1.00 1.29 H new ATOM 940 N ASN A2109 -2.944 3.104 -7.895 1.00 0.27 N ATOM 941 CA ASN A2109 -3.699 1.846 -7.869 1.00 0.28 C ATOM 942 C ASN A2109 -4.987 1.949 -7.053 1.00 0.28 C ATOM 943 O ASN A2109 -6.017 1.387 -7.426 1.00 0.36 O ATOM 944 CB ASN A2109 -2.821 0.733 -7.294 1.00 0.28 C ATOM 945 CG ASN A2109 -2.189 -0.123 -8.370 1.00 0.35 C ATOM 946 OD1 ASN A2109 -2.765 -1.126 -8.796 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.002 0.262 -8.814 1.00 0.39 N ATOM 0 H ASN A2109 -2.050 3.057 -7.406 1.00 0.27 H new ATOM 0 HA ASN A2109 -3.982 1.619 -8.897 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.037 1.175 -6.679 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.422 0.102 -6.639 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.528 -0.279 -9.537 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.562 1.099 -8.433 1.00 0.39 H new ATOM 954 N THR A2110 -4.913 2.655 -5.942 1.00 0.25 N ATOM 955 CA THR A2110 -6.039 2.826 -5.045 1.00 0.26 C ATOM 956 C THR A2110 -6.998 3.865 -5.604 1.00 0.27 C ATOM 957 O THR A2110 -8.196 3.866 -5.308 1.00 0.33 O ATOM 958 CB THR A2110 -5.549 3.238 -3.654 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.753 4.425 -3.750 1.00 0.24 O ATOM 960 CG2 THR A2110 -4.730 2.121 -3.024 1.00 0.29 C ATOM 0 H THR A2110 -4.064 3.129 -5.634 1.00 0.25 H new ATOM 0 HA THR A2110 -6.569 1.877 -4.956 1.00 0.26 H new ATOM 0 HB THR A2110 -6.417 3.434 -3.024 1.00 0.27 H new ATOM 0 HG1 THR A2110 -3.834 4.184 -3.990 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.390 2.432 -2.036 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.346 1.226 -2.931 1.00 0.29 H new ATOM 0 HG23 THR A2110 -3.867 1.904 -3.653 1.00 0.29 H new ATOM 968 N GLY A2111 -6.454 4.735 -6.446 1.00 0.23 N ATOM 969 CA GLY A2111 -7.237 5.785 -7.047 1.00 0.26 C ATOM 970 C GLY A2111 -7.466 6.919 -6.076 1.00 0.29 C ATOM 971 O GLY A2111 -8.197 7.869 -6.357 1.00 0.36 O ATOM 0 H GLY A2111 -5.472 4.727 -6.723 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.727 6.160 -7.935 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.196 5.385 -7.376 1.00 0.26 H new ATOM 975 N LEU A2112 -6.835 6.794 -4.927 1.00 0.28 N ATOM 976 CA LEU A2112 -6.944 7.763 -3.859 1.00 0.34 C ATOM 977 C LEU A2112 -5.959 8.883 -4.066 1.00 0.29 C ATOM 978 O LEU A2112 -5.360 9.026 -5.136 1.00 0.29 O ATOM 979 CB LEU A2112 -6.638 7.063 -2.537 1.00 0.43 C ATOM 980 CG LEU A2112 -7.329 5.718 -2.361 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.669 4.912 -1.263 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.794 5.912 -2.060 1.00 0.47 C ATOM 0 H LEU A2112 -6.225 6.007 -4.707 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.951 8.180 -3.848 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -5.561 6.917 -2.458 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -6.931 7.718 -1.717 1.00 0.43 H new ATOM 0 HG LEU A2112 -7.235 5.164 -3.295 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.180 3.955 -1.156 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.624 4.738 -1.518 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -6.727 5.461 -0.323 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.272 4.940 -1.937 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -8.903 6.489 -1.142 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.267 6.448 -2.883 1.00 0.47 H new ATOM 994 N ASP A2113 -5.817 9.679 -3.040 1.00 0.28 N ATOM 995 CA ASP A2113 -4.813 10.711 -3.004 1.00 0.28 C ATOM 996 C ASP A2113 -4.167 10.713 -1.643 1.00 0.30 C ATOM 997 O ASP A2113 -4.835 10.858 -0.617 1.00 0.35 O ATOM 998 CB ASP A2113 -5.422 12.060 -3.307 1.00 0.34 C ATOM 999 CG ASP A2113 -4.410 13.186 -3.209 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -3.651 13.401 -4.182 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -4.372 13.867 -2.162 1.00 0.43 O ATOM 0 H ASP A2113 -6.396 9.630 -2.202 1.00 0.28 H new ATOM 0 HA ASP A2113 -4.059 10.511 -3.765 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.850 12.046 -4.309 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -6.241 12.250 -2.614 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.874 10.538 -1.648 1.00 0.30 N ATOM 1007 CA LEU A2114 -2.134 10.262 -0.436 1.00 0.30 C ATOM 1008 C LEU A2114 -0.932 11.183 -0.301 1.00 0.30 C ATOM 1009 O LEU A2114 -0.473 11.771 -1.284 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.684 8.800 -0.463 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.819 7.798 -0.671 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.271 6.391 -0.792 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.826 7.895 0.469 1.00 0.91 C ATOM 0 H LEU A2114 -2.299 10.582 -2.489 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.778 10.441 0.425 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.951 8.672 -1.260 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -1.179 8.570 0.475 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.332 8.040 -1.601 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.094 5.692 -0.940 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.592 6.337 -1.643 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.733 6.131 0.119 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.629 7.176 0.308 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.328 7.677 1.414 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -4.242 8.902 0.502 1.00 0.91 H new ATOM 1025 N PRO A2115 -0.418 11.334 0.926 1.00 0.29 N ATOM 1026 CA PRO A2115 0.777 12.128 1.186 1.00 0.31 C ATOM 1027 C PRO A2115 2.031 11.367 0.802 1.00 0.28 C ATOM 1028 O PRO A2115 2.064 10.135 0.863 1.00 0.25 O ATOM 1029 CB PRO A2115 0.738 12.314 2.700 1.00 0.33 C ATOM 1030 CG PRO A2115 0.113 11.057 3.184 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.952 10.735 2.170 1.00 0.30 C ATOM 0 HA PRO A2115 0.795 13.060 0.621 1.00 0.31 H new ATOM 0 HB2 PRO A2115 1.737 12.452 3.114 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.152 13.189 2.983 1.00 0.33 H new ATOM 0 HG2 PRO A2115 0.846 10.254 3.255 1.00 0.29 H new ATOM 0 HG3 PRO A2115 -0.315 11.186 4.178 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -1.101 9.660 2.069 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.915 11.166 2.445 1.00 0.30 H new ATOM 1039 N PRO A2116 3.094 12.073 0.425 1.00 0.33 N ATOM 1040 CA PRO A2116 4.365 11.440 0.141 1.00 0.36 C ATOM 1041 C PRO A2116 5.134 11.158 1.433 1.00 0.34 C ATOM 1042 O PRO A2116 6.328 10.866 1.427 1.00 0.43 O ATOM 1043 CB PRO A2116 5.063 12.472 -0.734 1.00 0.44 C ATOM 1044 CG PRO A2116 4.574 13.779 -0.219 1.00 0.46 C ATOM 1045 CD PRO A2116 3.155 13.538 0.241 1.00 0.43 C ATOM 0 HA PRO A2116 4.278 10.468 -0.345 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.147 12.393 -0.655 1.00 0.44 H new ATOM 0 HB3 PRO A2116 4.810 12.339 -1.786 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.196 14.132 0.603 1.00 0.46 H new ATOM 0 HG3 PRO A2116 4.608 14.543 -0.996 1.00 0.46 H new ATOM 0 HD2 PRO A2116 2.939 14.068 1.169 1.00 0.43 H new ATOM 0 HD3 PRO A2116 2.430 13.880 -0.498 1.00 0.43 H new ATOM 1053 N THR A2117 4.425 11.258 2.546 1.00 0.27 N ATOM 1054 CA THR A2117 4.975 10.924 3.843 1.00 0.24 C ATOM 1055 C THR A2117 4.408 9.607 4.373 1.00 0.17 C ATOM 1056 O THR A2117 4.729 9.205 5.489 1.00 0.15 O ATOM 1057 CB THR A2117 4.691 12.043 4.855 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.313 12.433 4.767 1.00 0.32 O ATOM 1059 CG2 THR A2117 5.582 13.243 4.595 1.00 0.36 C ATOM 0 H THR A2117 3.455 11.572 2.572 1.00 0.27 H new ATOM 0 HA THR A2117 6.052 10.811 3.716 1.00 0.24 H new ATOM 0 HB THR A2117 4.902 11.668 5.856 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.133 13.146 5.415 1.00 0.32 H new ATOM 0 HG21 THR A2117 5.363 14.023 5.324 1.00 0.36 H new ATOM 0 HG22 THR A2117 6.627 12.946 4.684 1.00 0.36 H new ATOM 0 HG23 THR A2117 5.397 13.623 3.590 1.00 0.36 H new ATOM 1067 N LEU A2118 3.555 8.951 3.576 1.00 0.16 N ATOM 1068 CA LEU A2118 3.003 7.634 3.922 1.00 0.16 C ATOM 1069 C LEU A2118 4.009 6.718 4.593 1.00 0.16 C ATOM 1070 O LEU A2118 3.863 6.367 5.759 1.00 0.19 O ATOM 1071 CB LEU A2118 2.534 6.916 2.671 1.00 0.23 C ATOM 1072 CG LEU A2118 1.180 7.314 2.127 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.833 6.374 0.998 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.131 7.261 3.222 1.00 0.77 C ATOM 0 H LEU A2118 3.230 9.314 2.680 1.00 0.16 H new ATOM 0 HA LEU A2118 2.186 7.837 4.614 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.276 7.076 1.888 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.516 5.846 2.879 1.00 0.23 H new ATOM 0 HG LEU A2118 1.209 8.339 1.756 1.00 0.33 H new ATOM 0 HD11 LEU A2118 -0.141 6.641 0.588 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.589 6.450 0.216 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.801 5.351 1.373 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.837 7.550 2.813 1.00 0.77 H new ATOM 0 HD22 LEU A2118 0.069 6.247 3.618 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.406 7.947 4.023 1.00 0.77 H new ATOM 1086 N ILE A2119 5.015 6.323 3.823 1.00 0.15 N ATOM 1087 CA ILE A2119 6.004 5.343 4.263 1.00 0.18 C ATOM 1088 C ILE A2119 6.731 5.805 5.530 1.00 0.20 C ATOM 1089 O ILE A2119 7.305 5.001 6.259 1.00 0.28 O ATOM 1090 CB ILE A2119 7.051 5.081 3.161 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.393 4.965 1.773 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.852 3.826 3.475 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.358 3.869 1.631 1.00 0.20 C ATOM 0 H ILE A2119 5.170 6.671 2.877 1.00 0.15 H new ATOM 0 HA ILE A2119 5.459 4.424 4.479 1.00 0.18 H new ATOM 0 HB ILE A2119 7.728 5.935 3.138 1.00 0.19 H new ATOM 0 HG12 ILE A2119 5.922 5.918 1.533 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.175 4.800 1.032 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.586 3.656 2.687 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.365 3.951 4.428 1.00 0.24 H new ATOM 0 HG23 ILE A2119 7.179 2.970 3.535 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.958 3.875 0.617 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.821 2.903 1.833 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.549 4.039 2.341 1.00 0.20 H new ATOM 1105 N PHE A2120 6.712 7.106 5.776 1.00 0.17 N ATOM 1106 CA PHE A2120 7.333 7.675 6.952 1.00 0.19 C ATOM 1107 C PHE A2120 6.381 7.674 8.149 1.00 0.20 C ATOM 1108 O PHE A2120 6.792 7.414 9.281 1.00 0.26 O ATOM 1109 CB PHE A2120 7.786 9.093 6.635 1.00 0.19 C ATOM 1110 CG PHE A2120 8.984 9.122 5.740 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.088 8.348 6.039 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.004 9.907 4.601 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.194 8.351 5.223 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.112 9.919 3.778 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.210 9.140 4.088 1.00 0.38 C ATOM 0 H PHE A2120 6.266 7.791 5.166 1.00 0.17 H new ATOM 0 HA PHE A2120 8.192 7.062 7.224 1.00 0.19 H new ATOM 0 HB2 PHE A2120 6.968 9.635 6.161 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.017 9.614 7.564 1.00 0.19 H new ATOM 0 HD1 PHE A2120 10.082 7.732 6.926 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.146 10.515 4.354 1.00 0.27 H new ATOM 0 HE1 PHE A2120 12.049 7.738 5.468 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.121 10.537 2.892 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.078 9.147 3.446 1.00 0.38 H new ATOM 1125 N ASP A2121 5.109 7.957 7.891 1.00 0.17 N ATOM 1126 CA ASP A2121 4.114 8.080 8.957 1.00 0.22 C ATOM 1127 C ASP A2121 3.551 6.720 9.343 1.00 0.20 C ATOM 1128 O ASP A2121 3.291 6.444 10.511 1.00 0.29 O ATOM 1129 CB ASP A2121 2.975 8.994 8.514 1.00 0.29 C ATOM 1130 CG ASP A2121 2.081 9.394 9.669 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.865 9.140 9.600 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.594 9.951 10.662 1.00 0.88 O ATOM 0 H ASP A2121 4.739 8.106 6.952 1.00 0.17 H new ATOM 0 HA ASP A2121 4.610 8.511 9.827 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.389 9.889 8.050 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.380 8.488 7.754 1.00 0.29 H new ATOM 1137 N HIS A2122 3.369 5.874 8.345 1.00 0.14 N ATOM 1138 CA HIS A2122 2.842 4.531 8.544 1.00 0.14 C ATOM 1139 C HIS A2122 3.783 3.539 7.893 1.00 0.14 C ATOM 1140 O HIS A2122 3.488 2.996 6.827 1.00 0.14 O ATOM 1141 CB HIS A2122 1.459 4.371 7.913 1.00 0.16 C ATOM 1142 CG HIS A2122 0.453 5.385 8.344 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.461 5.165 9.351 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.202 6.625 7.874 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.233 6.226 9.479 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.852 7.127 8.595 1.00 0.40 N ATOM 0 H HIS A2122 3.582 6.096 7.373 1.00 0.14 H new ATOM 0 HA HIS A2122 2.756 4.353 9.616 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.562 4.420 6.829 1.00 0.16 H new ATOM 0 HB3 HIS A2122 1.079 3.378 8.152 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.732 7.128 7.079 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.040 6.338 10.188 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.272 8.048 8.468 1.00 0.40 H new ATOM 1155 N PRO A2123 4.931 3.294 8.509 1.00 0.16 N ATOM 1156 CA PRO A2123 5.945 2.468 7.922 1.00 0.17 C ATOM 1157 C PRO A2123 5.801 1.021 8.339 1.00 0.15 C ATOM 1158 O PRO A2123 6.153 0.649 9.452 1.00 0.19 O ATOM 1159 CB PRO A2123 7.225 3.063 8.523 1.00 0.20 C ATOM 1160 CG PRO A2123 6.796 3.862 9.721 1.00 0.25 C ATOM 1161 CD PRO A2123 5.300 3.743 9.822 1.00 0.20 C ATOM 0 HA PRO A2123 5.913 2.460 6.833 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.922 2.276 8.810 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.738 3.695 7.798 1.00 0.20 H new ATOM 0 HG2 PRO A2123 7.274 3.486 10.626 1.00 0.25 H new ATOM 0 HG3 PRO A2123 7.093 4.905 9.614 1.00 0.25 H new ATOM 0 HD2 PRO A2123 5.001 3.032 10.592 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.834 4.696 10.070 1.00 0.20 H new ATOM 1169 N THR A2124 5.249 0.258 7.412 1.00 0.12 N ATOM 1170 CA THR A2124 5.253 -1.195 7.334 1.00 0.10 C ATOM 1171 C THR A2124 4.256 -1.525 6.245 1.00 0.10 C ATOM 1172 O THR A2124 3.363 -0.707 6.002 1.00 0.11 O ATOM 1173 CB THR A2124 4.854 -1.944 8.628 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.765 -1.294 9.283 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.030 -2.074 9.567 1.00 0.11 C ATOM 0 H THR A2124 4.744 0.672 6.629 1.00 0.12 H new ATOM 0 HA THR A2124 6.275 -1.524 7.145 1.00 0.10 H new ATOM 0 HB THR A2124 4.533 -2.945 8.341 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.531 -1.788 10.097 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.720 -2.604 10.467 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.828 -2.630 9.075 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.392 -1.082 9.837 1.00 0.11 H new ATOM 1183 N PRO A2125 4.345 -2.656 5.553 1.00 0.11 N ATOM 1184 CA PRO A2125 3.273 -3.040 4.650 1.00 0.12 C ATOM 1185 C PRO A2125 1.947 -3.090 5.404 1.00 0.13 C ATOM 1186 O PRO A2125 0.918 -2.650 4.897 1.00 0.14 O ATOM 1187 CB PRO A2125 3.684 -4.423 4.150 1.00 0.12 C ATOM 1188 CG PRO A2125 5.159 -4.473 4.348 1.00 0.12 C ATOM 1189 CD PRO A2125 5.458 -3.613 5.549 1.00 0.11 C ATOM 0 HA PRO A2125 3.129 -2.338 3.829 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.182 -5.212 4.710 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.420 -4.560 3.101 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.494 -5.497 4.511 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.682 -4.103 3.466 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.490 -4.199 6.467 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.421 -3.112 5.457 1.00 0.11 H new ATOM 1197 N HIS A2126 2.003 -3.568 6.652 1.00 0.13 N ATOM 1198 CA HIS A2126 0.822 -3.646 7.502 1.00 0.15 C ATOM 1199 C HIS A2126 0.261 -2.262 7.830 1.00 0.14 C ATOM 1200 O HIS A2126 -0.939 -2.058 7.708 1.00 0.16 O ATOM 1201 CB HIS A2126 1.151 -4.435 8.777 1.00 0.18 C ATOM 1202 CG HIS A2126 0.148 -4.290 9.886 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.085 -4.905 9.872 1.00 0.35 N ATOM 1204 CD2 HIS A2126 0.201 -3.587 11.043 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.746 -4.586 10.967 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -0.989 -3.790 11.695 1.00 0.40 N ATOM 0 H HIS A2126 2.859 -3.906 7.092 1.00 0.13 H new ATOM 0 HA HIS A2126 0.041 -4.174 6.954 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.238 -5.491 8.521 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.126 -4.114 9.144 1.00 0.18 H new ATOM 0 HD2 HIS A2126 1.026 -2.980 11.388 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.740 -4.921 11.224 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.246 -3.390 12.597 1.00 0.40 H new ATOM 1215 N ALA A2127 1.114 -1.320 8.230 1.00 0.13 N ATOM 1216 CA ALA A2127 0.654 0.034 8.568 1.00 0.12 C ATOM 1217 C ALA A2127 -0.128 0.653 7.419 1.00 0.11 C ATOM 1218 O ALA A2127 -1.152 1.307 7.627 1.00 0.11 O ATOM 1219 CB ALA A2127 1.823 0.942 8.942 1.00 0.13 C ATOM 0 H ALA A2127 2.119 -1.463 8.329 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.005 -0.059 9.431 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.448 1.936 9.186 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.343 0.528 9.806 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.513 1.011 8.101 1.00 0.13 H new ATOM 1225 N LEU A2128 0.349 0.442 6.205 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.322 0.954 5.037 1.00 0.11 C ATOM 1227 C LEU A2128 -1.552 0.130 4.697 1.00 0.13 C ATOM 1228 O LEU A2128 -2.534 0.665 4.183 1.00 0.14 O ATOM 1229 CB LEU A2128 0.642 0.984 3.873 1.00 0.11 C ATOM 1230 CG LEU A2128 1.725 2.045 3.983 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.578 2.021 2.738 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.106 3.426 4.204 1.00 0.12 C ATOM 0 H LEU A2128 1.201 -0.083 6.008 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.661 1.968 5.249 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.116 0.006 3.784 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.079 1.150 2.955 1.00 0.11 H new ATOM 0 HG LEU A2128 2.357 1.829 4.844 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.355 2.781 2.815 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.040 1.039 2.632 1.00 0.12 H new ATOM 0 HD13 LEU A2128 1.956 2.225 1.867 1.00 0.12 H new ATOM 0 HD21 LEU A2128 1.898 4.172 4.280 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.456 3.672 3.365 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.523 3.420 5.125 1.00 0.12 H new ATOM 1244 N THR A2129 -1.513 -1.158 5.018 1.00 0.15 N ATOM 1245 CA THR A2129 -2.657 -2.028 4.801 1.00 0.17 C ATOM 1246 C THR A2129 -3.843 -1.502 5.594 1.00 0.17 C ATOM 1247 O THR A2129 -5.002 -1.699 5.230 1.00 0.20 O ATOM 1248 CB THR A2129 -2.355 -3.491 5.210 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.230 -3.990 4.474 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.548 -4.396 4.949 1.00 0.18 C ATOM 0 H THR A2129 -0.702 -1.620 5.429 1.00 0.15 H new ATOM 0 HA THR A2129 -2.887 -2.028 3.736 1.00 0.17 H new ATOM 0 HB THR A2129 -2.135 -3.492 6.278 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.401 -3.714 4.917 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.303 -5.416 5.247 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.404 -4.045 5.526 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.794 -4.377 3.887 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.537 -0.792 6.666 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.570 -0.188 7.479 1.00 0.18 C ATOM 1260 C GLN A2130 -5.054 1.110 6.833 1.00 0.17 C ATOM 1261 O GLN A2130 -6.259 1.338 6.697 1.00 0.20 O ATOM 1262 CB GLN A2130 -4.060 0.100 8.897 1.00 0.22 C ATOM 1263 CG GLN A2130 -2.975 -0.853 9.378 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.609 -0.632 10.833 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.717 0.157 11.151 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.287 -1.335 11.724 1.00 1.13 N ATOM 0 H GLN A2130 -2.585 -0.622 6.990 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.399 -0.892 7.548 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.674 1.119 8.932 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.901 0.054 9.589 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.313 -1.880 9.244 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.086 -0.727 8.760 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.018 -1.977 11.418 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.079 -1.235 12.718 1.00 1.13 H new ATOM 1275 N HIS A2131 -4.109 1.949 6.412 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.442 3.258 5.862 1.00 0.18 C ATOM 1277 C HIS A2131 -5.202 3.143 4.544 1.00 0.18 C ATOM 1278 O HIS A2131 -6.263 3.743 4.383 1.00 0.19 O ATOM 1279 CB HIS A2131 -3.179 4.097 5.669 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.465 5.484 5.181 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -4.304 6.352 5.839 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -3.047 6.135 4.073 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -4.397 7.474 5.157 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.642 7.374 4.079 1.00 0.31 N ATOM 0 H HIS A2131 -3.110 1.745 6.442 1.00 0.16 H new ATOM 0 HA HIS A2131 -5.094 3.755 6.580 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.640 4.155 6.615 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.522 3.596 4.958 1.00 0.23 H new ATOM 0 HD1 HIS A2131 -4.781 6.157 6.719 1.00 0.32 H new ATOM 0 HD2 HIS A2131 -2.371 5.753 3.322 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.991 8.332 5.433 1.00 0.35 H new ATOM 1293 N LEU A2132 -4.662 2.380 3.603 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.306 2.214 2.302 1.00 0.21 C ATOM 1295 C LEU A2132 -6.667 1.553 2.446 1.00 0.21 C ATOM 1296 O LEU A2132 -7.592 1.859 1.695 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.428 1.404 1.341 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.241 2.158 0.732 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.657 3.553 0.329 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -2.066 2.217 1.688 1.00 0.64 C ATOM 0 H LEU A2132 -3.786 1.869 3.712 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.444 3.210 1.882 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -4.047 0.532 1.873 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -5.055 1.034 0.530 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.921 1.610 -0.154 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.804 4.077 -0.102 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.458 3.495 -0.408 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -4.010 4.095 1.206 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.244 2.759 1.221 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.366 2.730 2.602 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.742 1.205 1.929 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.802 0.674 3.430 1.00 0.20 N ATOM 1313 CA HIS A2133 -8.073 0.023 3.673 1.00 0.21 C ATOM 1314 C HIS A2133 -9.080 1.053 4.143 1.00 0.21 C ATOM 1315 O HIS A2133 -10.238 1.031 3.739 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.944 -1.090 4.715 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.219 -1.853 4.903 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.726 -2.170 6.138 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.108 -2.330 3.998 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.873 -2.802 5.993 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.133 -2.914 4.703 1.00 0.31 N ATOM 0 H HIS A2133 -6.052 0.400 4.065 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.409 -0.432 2.741 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.155 -1.778 4.411 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.640 -0.657 5.668 1.00 0.21 H new ATOM 0 HD1 HIS A2133 -9.283 -1.950 7.030 1.00 0.27 H new ATOM 0 HD2 HIS A2133 -10.026 -2.264 2.923 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.497 -3.168 6.795 1.00 0.30 H new ATOM 1330 N THR A2134 -8.616 1.967 4.977 1.00 0.18 N ATOM 1331 CA THR A2134 -9.466 3.015 5.494 1.00 0.22 C ATOM 1332 C THR A2134 -9.885 3.971 4.380 1.00 0.26 C ATOM 1333 O THR A2134 -11.044 4.368 4.300 1.00 0.34 O ATOM 1334 CB THR A2134 -8.770 3.799 6.622 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.325 2.892 7.644 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.710 4.832 7.231 1.00 0.36 C ATOM 0 H THR A2134 -7.652 2.001 5.309 1.00 0.18 H new ATOM 0 HA THR A2134 -10.355 2.539 5.906 1.00 0.22 H new ATOM 0 HB THR A2134 -7.913 4.321 6.195 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.495 2.457 7.357 1.00 0.27 H new ATOM 0 HG21 THR A2134 -9.193 5.371 8.025 1.00 0.36 H new ATOM 0 HG22 THR A2134 -10.026 5.535 6.461 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.585 4.329 7.644 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.955 4.296 3.489 1.00 0.27 N ATOM 1345 CA ARG A2135 -9.209 5.271 2.446 1.00 0.32 C ATOM 1346 C ARG A2135 -10.238 4.752 1.438 1.00 0.40 C ATOM 1347 O ARG A2135 -11.052 5.515 0.927 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.896 5.617 1.737 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.889 6.323 2.623 1.00 0.28 C ATOM 1350 CD ARG A2135 -7.380 7.699 3.033 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.882 8.766 2.164 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.795 10.047 2.538 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -7.192 10.418 3.752 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.322 10.958 1.699 1.00 1.64 N ATOM 0 H ARG A2135 -8.017 3.895 3.472 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.621 6.169 2.906 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.448 4.700 1.354 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -8.114 6.249 0.876 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.701 5.722 3.513 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.940 6.416 2.095 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -8.470 7.708 3.022 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -7.070 7.899 4.059 1.00 0.33 H new ATOM 0 HE ARG A2135 -6.585 8.519 1.220 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -7.564 9.725 4.401 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -7.124 11.396 4.034 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -6.022 10.683 0.764 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -6.258 11.934 1.989 1.00 1.64 H new ATOM 1368 N LEU A2136 -10.203 3.454 1.163 1.00 0.41 N ATOM 1369 CA LEU A2136 -11.124 2.848 0.219 1.00 0.51 C ATOM 1370 C LEU A2136 -12.491 2.592 0.845 1.00 0.58 C ATOM 1371 O LEU A2136 -13.454 2.271 0.148 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.524 1.548 -0.293 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.225 1.725 -1.068 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.623 0.381 -1.421 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.472 2.552 -2.318 1.00 0.75 C ATOM 0 H LEU A2136 -9.542 2.801 1.584 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.276 3.540 -0.609 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.342 0.886 0.554 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.252 1.052 -0.934 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.512 2.255 -0.437 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.696 0.532 -1.974 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.414 -0.175 -0.507 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.325 -0.182 -2.036 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.537 2.673 -2.865 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.200 2.045 -2.951 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.856 3.532 -2.036 1.00 0.75 H new ATOM 1387 N THR A2137 -12.571 2.717 2.158 1.00 0.43 N ATOM 1388 CA THR A2137 -13.834 2.542 2.853 1.00 0.47 C ATOM 1389 C THR A2137 -14.437 3.891 3.220 1.00 0.54 C ATOM 1390 O THR A2137 -15.654 4.036 3.331 1.00 0.68 O ATOM 1391 CB THR A2137 -13.663 1.676 4.118 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.679 2.253 4.990 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.237 0.265 3.742 1.00 0.42 C ATOM 0 H THR A2137 -11.780 2.938 2.762 1.00 0.43 H new ATOM 0 HA THR A2137 -14.514 2.025 2.176 1.00 0.47 H new ATOM 0 HB THR A2137 -14.622 1.636 4.634 1.00 0.43 H new ATOM 0 HG1 THR A2137 -12.336 3.081 4.594 1.00 0.39 H new ATOM 0 HG21 THR A2137 -13.121 -0.333 4.646 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.996 -0.186 3.103 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.288 0.302 3.207 1.00 0.42 H new