USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=22 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: A2126 HIS : no HD1:sc= 0 X(o=-1.3,f=-1.3) USER MOD Set 1.2: A2130 GLN : amide:sc= -1.35 K(o=-1.3,f=-2.3!) USER MOD Single : A2057 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A2058 GLN :FLIP amide:sc= -0.165 F(o=-1.1,f=-0.17) USER MOD Single : A2059 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2060 GLN :FLIP amide:sc= -1.64! C(o=-2.3!,f=-1.6!) USER MOD Single : A2061 GLN : amide:sc= -0.499 X(o=-0.5,f=-0.38) USER MOD Single : A2062 THR OG1 : rot 59:sc= 0.427 USER MOD Single : A2065 THR OG1 : rot 81:sc= 0.661 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A2073 THR OG1 : rot 73:sc= 1.2 USER MOD Single : A2077 HIS : no HE2:sc= -4 K(o=-4,f=-5.2!) USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2079 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A2082 SER OG : rot -37:sc= 0.964 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 170:sc= 0.629 USER MOD Single : A2104 ASN : amide:sc= -0.842 K(o=-0.84,f=-3.6!) USER MOD Single : A2105 THR OG1 : rot 76:sc= 0.398 USER MOD Single : A2107 THR OG1 : rot -42:sc= -1.12! USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.798 K(o=0.8,f=-0.0014) USER MOD Single : A2110 THR OG1 : rot -77:sc= 0.38 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.348 USER MOD Single : A2122 HIS : no HD1:sc= -0.286 K(o=-0.29,f=-0.95) USER MOD Single : A2124 THR OG1 : rot 180:sc= -0.323 USER MOD Single : A2129 THR OG1 : rot 62:sc= 0.951 USER MOD Single : A2131 HIS :FLIP no HD1:sc= -0.277 F(o=-1.4,f=-0.28) USER MOD Single : A2133 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A2134 THR OG1 : rot 81:sc= 1.33 USER MOD Single : A2137 THR OG1 : rot -90:sc= 1.3 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -14.370 -6.656 4.317 1.00 0.67 N ATOM 151 CA PRO A2056 -13.299 -5.739 4.710 1.00 0.61 C ATOM 152 C PRO A2056 -11.911 -6.375 4.684 1.00 0.54 C ATOM 153 O PRO A2056 -10.980 -5.802 4.116 1.00 0.50 O ATOM 154 CB PRO A2056 -13.697 -5.361 6.128 1.00 0.71 C ATOM 155 CG PRO A2056 -15.187 -5.385 6.106 1.00 0.86 C ATOM 156 CD PRO A2056 -15.592 -6.430 5.104 1.00 0.81 C ATOM 0 HA PRO A2056 -13.209 -4.897 4.024 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.298 -6.067 6.856 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.318 -4.376 6.399 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.584 -5.622 7.093 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -15.585 -4.409 5.828 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.927 -7.344 5.593 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.414 -6.085 4.476 1.00 0.81 H new ATOM 164 N GLN A2057 -11.788 -7.569 5.262 1.00 0.58 N ATOM 165 CA GLN A2057 -10.511 -8.273 5.323 1.00 0.60 C ATOM 166 C GLN A2057 -9.983 -8.588 3.922 1.00 0.57 C ATOM 167 O GLN A2057 -8.777 -8.541 3.680 1.00 0.57 O ATOM 168 CB GLN A2057 -10.660 -9.564 6.121 1.00 0.71 C ATOM 169 CG GLN A2057 -9.332 -10.204 6.476 1.00 0.83 C ATOM 170 CD GLN A2057 -9.492 -11.477 7.278 1.00 1.19 C ATOM 171 OE1 GLN A2057 -10.454 -11.636 8.030 1.00 1.63 O ATOM 172 NE2 GLN A2057 -8.546 -12.389 7.131 1.00 1.95 N ATOM 0 H GLN A2057 -12.563 -8.070 5.697 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.793 -7.621 5.820 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -11.212 -9.355 7.038 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.255 -10.273 5.545 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.783 -10.423 5.560 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.732 -9.494 7.045 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -7.766 -12.217 6.497 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -8.597 -13.265 7.652 1.00 1.95 H new ATOM 181 N GLN A2058 -10.890 -8.894 3.004 1.00 0.59 N ATOM 182 CA GLN A2058 -10.523 -9.154 1.617 1.00 0.64 C ATOM 183 C GLN A2058 -9.963 -7.891 0.981 1.00 0.57 C ATOM 184 O GLN A2058 -8.962 -7.933 0.264 1.00 0.59 O ATOM 185 CB GLN A2058 -11.732 -9.653 0.821 1.00 0.75 C ATOM 186 CG GLN A2058 -12.227 -11.022 1.254 1.00 0.83 C ATOM 187 CD GLN A2058 -11.166 -12.105 1.128 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.275 -11.963 0.160 1.00 1.44 O flip ATOM 189 NE2 GLN A2058 -11.155 -13.066 1.896 1.00 1.60 N flip ATOM 0 H GLN A2058 -11.889 -8.969 3.195 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.758 -9.930 1.602 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.545 -8.934 0.923 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.470 -9.689 -0.236 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.564 -10.970 2.289 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.092 -11.297 0.651 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -11.859 -13.140 2.630 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -10.442 -13.789 1.799 1.00 1.60 H new ATOM 198 N GLN A2059 -10.604 -6.760 1.260 1.00 0.54 N ATOM 199 CA GLN A2059 -10.096 -5.483 0.790 1.00 0.52 C ATOM 200 C GLN A2059 -8.744 -5.202 1.426 1.00 0.47 C ATOM 201 O GLN A2059 -7.854 -4.696 0.771 1.00 0.49 O ATOM 202 CB GLN A2059 -11.058 -4.333 1.087 1.00 0.57 C ATOM 203 CG GLN A2059 -12.369 -4.408 0.322 1.00 0.72 C ATOM 204 CD GLN A2059 -13.114 -3.087 0.330 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.915 -2.816 1.224 1.00 1.50 O ATOM 206 NE2 GLN A2059 -12.854 -2.250 -0.669 1.00 1.19 N ATOM 0 H GLN A2059 -11.466 -6.705 1.803 1.00 0.54 H new ATOM 0 HA GLN A2059 -9.992 -5.550 -0.293 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.273 -4.320 2.155 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.565 -3.390 0.850 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.170 -4.705 -0.708 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -13.000 -5.181 0.760 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -12.183 -2.511 -1.392 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -13.325 -1.346 -0.713 1.00 1.19 H new ATOM 215 N GLN A2060 -8.592 -5.545 2.703 1.00 0.44 N ATOM 216 CA GLN A2060 -7.305 -5.399 3.379 1.00 0.42 C ATOM 217 C GLN A2060 -6.238 -6.166 2.629 1.00 0.39 C ATOM 218 O GLN A2060 -5.214 -5.607 2.261 1.00 0.37 O ATOM 219 CB GLN A2060 -7.381 -5.900 4.820 1.00 0.45 C ATOM 220 CG GLN A2060 -8.459 -5.221 5.634 1.00 0.50 C ATOM 221 CD GLN A2060 -8.630 -5.817 7.019 1.00 0.60 C ATOM 222 OE1 GLN A2060 -7.551 -6.337 7.586 1.00 0.78 O flip ATOM 223 NE2 GLN A2060 -9.729 -5.809 7.574 1.00 0.95 N flip ATOM 0 H GLN A2060 -9.338 -5.923 3.287 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.050 -4.340 3.396 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.563 -6.975 4.814 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.417 -5.742 5.303 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.220 -4.162 5.729 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.406 -5.288 5.098 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -10.535 -5.399 7.103 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -9.833 -6.213 8.505 1.00 0.95 H new ATOM 232 N GLN A2061 -6.506 -7.442 2.386 1.00 0.41 N ATOM 233 CA GLN A2061 -5.613 -8.293 1.605 1.00 0.42 C ATOM 234 C GLN A2061 -5.262 -7.654 0.269 1.00 0.43 C ATOM 235 O GLN A2061 -4.180 -7.868 -0.271 1.00 0.41 O ATOM 236 CB GLN A2061 -6.267 -9.635 1.364 1.00 0.51 C ATOM 237 CG GLN A2061 -6.452 -10.436 2.634 1.00 0.56 C ATOM 238 CD GLN A2061 -7.225 -11.724 2.417 1.00 0.67 C ATOM 239 OE1 GLN A2061 -7.164 -12.329 1.345 1.00 1.03 O ATOM 240 NE2 GLN A2061 -7.958 -12.153 3.432 1.00 1.32 N ATOM 0 H GLN A2061 -7.344 -7.916 2.722 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.692 -8.423 2.173 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -7.238 -9.481 0.893 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.660 -10.209 0.664 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -5.474 -10.672 3.053 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.975 -9.825 3.369 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -7.982 -11.623 4.303 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -8.499 -13.013 3.343 1.00 1.32 H new ATOM 249 N THR A2062 -6.199 -6.893 -0.261 1.00 0.49 N ATOM 250 CA THR A2062 -5.970 -6.105 -1.464 1.00 0.55 C ATOM 251 C THR A2062 -4.770 -5.163 -1.289 1.00 0.49 C ATOM 252 O THR A2062 -3.813 -5.252 -2.051 1.00 0.48 O ATOM 253 CB THR A2062 -7.222 -5.299 -1.848 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.316 -6.195 -2.104 1.00 0.73 O ATOM 255 CG2 THR A2062 -6.968 -4.432 -3.074 1.00 0.77 C ATOM 0 H THR A2062 -7.138 -6.801 0.126 1.00 0.49 H new ATOM 0 HA THR A2062 -5.748 -6.803 -2.271 1.00 0.55 H new ATOM 0 HB THR A2062 -7.472 -4.642 -1.015 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.487 -6.739 -1.307 1.00 0.73 H new ATOM 0 HG21 THR A2062 -7.872 -3.875 -3.319 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.158 -3.734 -2.864 1.00 0.77 H new ATOM 0 HG23 THR A2062 -6.692 -5.066 -3.917 1.00 0.77 H new ATOM 263 N LEU A2063 -4.796 -4.286 -0.274 1.00 0.50 N ATOM 264 CA LEU A2063 -3.682 -3.408 -0.001 1.00 0.53 C ATOM 265 C LEU A2063 -2.497 -4.231 0.421 1.00 0.44 C ATOM 266 O LEU A2063 -1.361 -3.952 0.082 1.00 0.47 O ATOM 267 CB LEU A2063 -4.029 -2.481 1.146 1.00 0.69 C ATOM 268 CG LEU A2063 -5.269 -1.620 0.981 1.00 0.64 C ATOM 269 CD1 LEU A2063 -5.412 -1.099 -0.440 1.00 1.32 C ATOM 270 CD2 LEU A2063 -6.533 -2.313 1.452 1.00 1.22 C ATOM 0 H LEU A2063 -5.584 -4.177 0.364 1.00 0.50 H new ATOM 0 HA LEU A2063 -3.458 -2.833 -0.899 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.152 -3.085 2.045 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -3.178 -1.822 1.319 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.129 -0.758 1.633 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -6.312 -0.488 -0.515 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -4.541 -0.495 -0.696 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -5.486 -1.940 -1.130 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.386 -1.650 1.310 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -6.683 -3.226 0.876 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -6.439 -2.562 2.509 1.00 1.22 H new ATOM 282 N ALA A2064 -2.815 -5.265 1.156 1.00 0.39 N ATOM 283 CA ALA A2064 -1.834 -6.155 1.739 1.00 0.38 C ATOM 284 C ALA A2064 -0.976 -6.783 0.648 1.00 0.37 C ATOM 285 O ALA A2064 0.208 -7.058 0.830 1.00 0.51 O ATOM 286 CB ALA A2064 -2.566 -7.216 2.542 1.00 0.38 C ATOM 0 H ALA A2064 -3.779 -5.520 1.372 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.167 -5.601 2.399 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.842 -7.897 2.990 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.150 -6.738 3.329 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -3.232 -7.775 1.885 1.00 0.38 H new ATOM 292 N THR A2065 -1.609 -6.986 -0.488 1.00 0.28 N ATOM 293 CA THR A2065 -0.967 -7.504 -1.674 1.00 0.28 C ATOM 294 C THR A2065 -0.407 -6.364 -2.521 1.00 0.27 C ATOM 295 O THR A2065 0.719 -6.430 -3.003 1.00 0.25 O ATOM 296 CB THR A2065 -1.996 -8.301 -2.487 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.384 -9.478 -1.762 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.461 -8.685 -3.861 1.00 0.41 C ATOM 0 H THR A2065 -2.602 -6.792 -0.614 1.00 0.28 H new ATOM 0 HA THR A2065 -0.140 -8.152 -1.383 1.00 0.28 H new ATOM 0 HB THR A2065 -2.865 -7.662 -2.641 1.00 0.36 H new ATOM 0 HG1 THR A2065 -3.064 -9.243 -1.096 1.00 0.40 H new ATOM 0 HG21 THR A2065 -2.221 -9.248 -4.403 1.00 0.41 H new ATOM 0 HG22 THR A2065 -1.210 -7.783 -4.419 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.568 -9.300 -3.745 1.00 0.41 H new ATOM 306 N LEU A2066 -1.208 -5.318 -2.667 1.00 0.29 N ATOM 307 CA LEU A2066 -0.851 -4.135 -3.429 1.00 0.28 C ATOM 308 C LEU A2066 0.435 -3.528 -2.910 1.00 0.23 C ATOM 309 O LEU A2066 1.423 -3.402 -3.630 1.00 0.22 O ATOM 310 CB LEU A2066 -1.975 -3.117 -3.302 1.00 0.32 C ATOM 311 CG LEU A2066 -1.566 -1.704 -3.643 1.00 0.57 C ATOM 312 CD1 LEU A2066 -1.456 -1.536 -5.139 1.00 0.92 C ATOM 313 CD2 LEU A2066 -2.521 -0.693 -3.034 1.00 1.35 C ATOM 0 H LEU A2066 -2.138 -5.269 -2.252 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.703 -4.415 -4.472 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -2.796 -3.414 -3.955 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.356 -3.138 -2.281 1.00 0.32 H new ATOM 0 HG LEU A2066 -0.583 -1.516 -3.210 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -1.160 -0.512 -5.369 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -0.708 -2.226 -5.529 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.420 -1.748 -5.601 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -2.200 0.315 -3.297 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -3.527 -0.865 -3.418 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -2.523 -0.802 -1.949 1.00 1.35 H new ATOM 325 N VAL A2067 0.385 -3.154 -1.654 1.00 0.21 N ATOM 326 CA VAL A2067 1.500 -2.558 -0.958 1.00 0.18 C ATOM 327 C VAL A2067 2.744 -3.438 -1.049 1.00 0.16 C ATOM 328 O VAL A2067 3.854 -2.953 -1.277 1.00 0.17 O ATOM 329 CB VAL A2067 1.134 -2.327 0.523 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.346 -1.905 1.324 1.00 0.20 C ATOM 331 CG2 VAL A2067 0.029 -1.286 0.649 1.00 0.22 C ATOM 0 H VAL A2067 -0.449 -3.258 -1.076 1.00 0.21 H new ATOM 0 HA VAL A2067 1.722 -1.603 -1.434 1.00 0.18 H new ATOM 0 HB VAL A2067 0.770 -3.272 0.927 1.00 0.19 H new ATOM 0 HG11 VAL A2067 2.059 -1.749 2.364 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.107 -2.684 1.271 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.747 -0.977 0.916 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.214 -1.138 1.701 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.367 -0.343 0.219 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -0.858 -1.631 0.117 1.00 0.22 H new ATOM 341 N ALA A2068 2.545 -4.733 -0.887 1.00 0.15 N ATOM 342 CA ALA A2068 3.641 -5.678 -0.912 1.00 0.15 C ATOM 343 C ALA A2068 4.215 -5.821 -2.318 1.00 0.14 C ATOM 344 O ALA A2068 5.430 -5.785 -2.502 1.00 0.13 O ATOM 345 CB ALA A2068 3.165 -7.011 -0.369 1.00 0.17 C ATOM 0 H ALA A2068 1.628 -5.154 -0.736 1.00 0.15 H new ATOM 0 HA ALA A2068 4.447 -5.307 -0.279 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.988 -7.726 -0.386 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.817 -6.883 0.656 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.347 -7.384 -0.986 1.00 0.17 H new ATOM 351 N ALA A2069 3.338 -5.966 -3.303 1.00 0.17 N ATOM 352 CA ALA A2069 3.748 -6.056 -4.698 1.00 0.18 C ATOM 353 C ALA A2069 4.406 -4.756 -5.141 1.00 0.19 C ATOM 354 O ALA A2069 5.257 -4.740 -6.035 1.00 0.21 O ATOM 355 CB ALA A2069 2.552 -6.364 -5.584 1.00 0.23 C ATOM 0 H ALA A2069 2.330 -6.024 -3.159 1.00 0.17 H new ATOM 0 HA ALA A2069 4.471 -6.866 -4.793 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.876 -6.428 -6.623 1.00 0.23 H new ATOM 0 HB2 ALA A2069 2.111 -7.314 -5.282 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.811 -5.571 -5.483 1.00 0.23 H new ATOM 361 N ALA A2070 4.004 -3.666 -4.497 1.00 0.19 N ATOM 362 CA ALA A2070 4.544 -2.354 -4.786 1.00 0.21 C ATOM 363 C ALA A2070 6.017 -2.308 -4.436 1.00 0.20 C ATOM 364 O ALA A2070 6.839 -1.853 -5.231 1.00 0.23 O ATOM 365 CB ALA A2070 3.790 -1.289 -4.013 1.00 0.24 C ATOM 0 H ALA A2070 3.296 -3.673 -3.763 1.00 0.19 H new ATOM 0 HA ALA A2070 4.428 -2.157 -5.852 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.208 -0.309 -4.242 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.738 -1.310 -4.297 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.881 -1.482 -2.944 1.00 0.24 H new ATOM 371 N THR A2071 6.361 -2.800 -3.252 1.00 0.18 N ATOM 372 CA THR A2071 7.736 -2.733 -2.818 1.00 0.21 C ATOM 373 C THR A2071 8.513 -3.927 -3.335 1.00 0.21 C ATOM 374 O THR A2071 9.714 -3.850 -3.530 1.00 0.27 O ATOM 375 CB THR A2071 7.867 -2.559 -1.298 1.00 0.22 C ATOM 376 OG1 THR A2071 9.229 -2.354 -0.926 1.00 0.28 O ATOM 377 CG2 THR A2071 7.312 -3.742 -0.547 1.00 0.23 C ATOM 0 H THR A2071 5.718 -3.239 -2.594 1.00 0.18 H new ATOM 0 HA THR A2071 8.177 -1.835 -3.251 1.00 0.21 H new ATOM 0 HB THR A2071 7.283 -1.679 -1.029 1.00 0.22 H new ATOM 0 HG1 THR A2071 9.290 -2.244 0.046 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.425 -3.578 0.525 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.255 -3.862 -0.787 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.854 -4.643 -0.835 1.00 0.23 H new ATOM 385 N ALA A2072 7.816 -5.016 -3.608 1.00 0.18 N ATOM 386 CA ALA A2072 8.385 -6.096 -4.396 1.00 0.22 C ATOM 387 C ALA A2072 9.010 -5.499 -5.654 1.00 0.26 C ATOM 388 O ALA A2072 10.187 -5.709 -5.950 1.00 0.31 O ATOM 389 CB ALA A2072 7.287 -7.087 -4.754 1.00 0.22 C ATOM 0 H ALA A2072 6.858 -5.176 -3.297 1.00 0.18 H new ATOM 0 HA ALA A2072 9.153 -6.624 -3.831 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.709 -7.900 -5.345 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.850 -7.492 -3.841 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.514 -6.581 -5.332 1.00 0.22 H new ATOM 395 N THR A2073 8.219 -4.698 -6.349 1.00 0.27 N ATOM 396 CA THR A2073 8.675 -3.980 -7.522 1.00 0.34 C ATOM 397 C THR A2073 9.792 -2.990 -7.167 1.00 0.37 C ATOM 398 O THR A2073 10.859 -2.988 -7.782 1.00 0.43 O ATOM 399 CB THR A2073 7.499 -3.214 -8.152 1.00 0.38 C ATOM 400 OG1 THR A2073 6.428 -4.120 -8.458 1.00 0.40 O ATOM 401 CG2 THR A2073 7.935 -2.489 -9.410 1.00 0.46 C ATOM 0 H THR A2073 7.241 -4.529 -6.113 1.00 0.27 H new ATOM 0 HA THR A2073 9.069 -4.708 -8.231 1.00 0.34 H new ATOM 0 HB THR A2073 7.151 -2.474 -7.432 1.00 0.38 H new ATOM 0 HG1 THR A2073 5.992 -4.404 -7.627 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.085 -1.956 -9.836 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.724 -1.778 -9.165 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.310 -3.212 -10.135 1.00 0.46 H new ATOM 409 N VAL A2074 9.530 -2.167 -6.159 1.00 0.36 N ATOM 410 CA VAL A2074 10.420 -1.106 -5.741 1.00 0.41 C ATOM 411 C VAL A2074 11.803 -1.607 -5.282 1.00 0.47 C ATOM 412 O VAL A2074 12.822 -1.006 -5.624 1.00 0.56 O ATOM 413 CB VAL A2074 9.704 -0.310 -4.637 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.512 -0.201 -3.360 1.00 0.38 C ATOM 415 CG2 VAL A2074 9.280 1.049 -5.141 1.00 0.37 C ATOM 0 H VAL A2074 8.677 -2.224 -5.603 1.00 0.36 H new ATOM 0 HA VAL A2074 10.636 -0.468 -6.598 1.00 0.41 H new ATOM 0 HB VAL A2074 8.809 -0.876 -4.377 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.951 0.372 -2.622 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.711 -1.199 -2.969 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.456 0.302 -3.569 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.776 1.592 -4.342 1.00 0.37 H new ATOM 0 HG22 VAL A2074 10.159 1.608 -5.462 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.599 0.928 -5.983 1.00 0.37 H new ATOM 425 N LEU A2075 11.851 -2.700 -4.520 1.00 0.43 N ATOM 426 CA LEU A2075 13.114 -3.210 -4.007 1.00 0.52 C ATOM 427 C LEU A2075 13.883 -3.941 -5.099 1.00 0.60 C ATOM 428 O LEU A2075 15.113 -3.980 -5.084 1.00 0.74 O ATOM 429 CB LEU A2075 12.865 -4.151 -2.829 1.00 0.49 C ATOM 430 CG LEU A2075 11.844 -3.642 -1.805 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.514 -4.718 -0.791 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.333 -2.386 -1.103 1.00 0.52 C ATOM 0 H LEU A2075 11.032 -3.244 -4.248 1.00 0.43 H new ATOM 0 HA LEU A2075 13.711 -2.363 -3.668 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.524 -5.111 -3.215 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.811 -4.331 -2.319 1.00 0.49 H new ATOM 0 HG LEU A2075 10.936 -3.387 -2.351 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.788 -4.333 -0.075 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.095 -5.584 -1.303 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.422 -5.012 -0.264 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.583 -2.055 -0.385 1.00 0.52 H new ATOM 0 HD22 LEU A2075 13.265 -2.601 -0.581 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.502 -1.600 -1.839 1.00 0.52 H new ATOM 444 N GLY A2076 13.155 -4.506 -6.052 1.00 0.57 N ATOM 445 CA GLY A2076 13.789 -5.233 -7.132 1.00 0.67 C ATOM 446 C GLY A2076 13.524 -6.722 -7.064 1.00 0.65 C ATOM 447 O GLY A2076 14.177 -7.507 -7.751 1.00 0.93 O ATOM 0 H GLY A2076 12.136 -4.474 -6.096 1.00 0.57 H new ATOM 0 HA2 GLY A2076 13.429 -4.847 -8.086 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.864 -5.057 -7.102 1.00 0.67 H new ATOM 451 N HIS A2077 12.568 -7.114 -6.235 1.00 0.51 N ATOM 452 CA HIS A2077 12.178 -8.511 -6.132 1.00 0.66 C ATOM 453 C HIS A2077 10.688 -8.635 -6.441 1.00 0.68 C ATOM 454 O HIS A2077 9.843 -8.434 -5.585 1.00 0.97 O ATOM 455 CB HIS A2077 12.565 -9.093 -4.755 1.00 0.81 C ATOM 456 CG HIS A2077 11.719 -8.714 -3.582 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.663 -9.479 -3.146 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.819 -7.686 -2.717 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.151 -8.937 -2.067 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.833 -7.846 -1.778 1.00 0.80 N ATOM 0 H HIS A2077 12.048 -6.484 -5.624 1.00 0.51 H new ATOM 0 HA HIS A2077 12.720 -9.107 -6.866 1.00 0.66 H new ATOM 0 HB2 HIS A2077 12.560 -10.180 -4.836 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.591 -8.794 -4.540 1.00 0.81 H new ATOM 0 HD1 HIS A2077 10.330 -10.334 -3.592 1.00 0.54 H new ATOM 0 HD2 HIS A2077 12.542 -6.885 -2.756 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.310 -9.321 -1.508 1.00 0.61 H new ATOM 469 N HIS A2078 10.393 -8.961 -7.691 1.00 0.62 N ATOM 470 CA HIS A2078 9.058 -8.774 -8.265 1.00 0.69 C ATOM 471 C HIS A2078 7.908 -9.318 -7.423 1.00 0.80 C ATOM 472 O HIS A2078 6.833 -8.720 -7.414 1.00 1.56 O ATOM 473 CB HIS A2078 8.981 -9.374 -9.661 1.00 0.81 C ATOM 474 CG HIS A2078 9.259 -8.385 -10.751 1.00 0.88 C ATOM 475 ND1 HIS A2078 8.268 -7.645 -11.356 1.00 0.93 N ATOM 476 CD2 HIS A2078 10.417 -8.012 -11.345 1.00 0.96 C ATOM 477 CE1 HIS A2078 8.802 -6.863 -12.273 1.00 1.03 C ATOM 478 NE2 HIS A2078 10.105 -7.066 -12.289 1.00 1.05 N ATOM 0 H HIS A2078 11.069 -9.363 -8.340 1.00 0.62 H new ATOM 0 HA HIS A2078 8.927 -7.692 -8.297 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.694 -10.195 -9.735 1.00 0.81 H new ATOM 0 HB3 HIS A2078 7.989 -9.799 -9.811 1.00 0.81 H new ATOM 0 HD2 HIS A2078 11.403 -8.389 -11.118 1.00 0.96 H new ATOM 0 HE1 HIS A2078 8.263 -6.172 -12.905 1.00 1.03 H new ATOM 0 HE2 HIS A2078 10.771 -6.597 -12.902 1.00 1.05 H new ATOM 487 N THR A2079 8.090 -10.431 -6.731 1.00 0.64 N ATOM 488 CA THR A2079 6.969 -10.981 -5.989 1.00 0.67 C ATOM 489 C THR A2079 6.871 -10.410 -4.576 1.00 0.44 C ATOM 490 O THR A2079 7.873 -10.145 -3.906 1.00 0.54 O ATOM 491 CB THR A2079 6.959 -12.516 -5.901 1.00 1.02 C ATOM 492 OG1 THR A2079 5.900 -12.987 -5.060 1.00 1.82 O ATOM 493 CG2 THR A2079 8.259 -12.999 -5.355 1.00 0.59 C ATOM 0 H THR A2079 8.964 -10.953 -6.667 1.00 0.64 H new ATOM 0 HA THR A2079 6.101 -10.677 -6.573 1.00 0.67 H new ATOM 0 HB THR A2079 6.803 -12.904 -6.908 1.00 1.02 H new ATOM 0 HG1 THR A2079 5.920 -13.966 -5.026 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.247 -14.087 -5.295 1.00 0.59 H new ATOM 0 HG22 THR A2079 9.070 -12.681 -6.011 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.413 -12.582 -4.360 1.00 0.59 H new ATOM 501 N PRO A2080 5.632 -10.251 -4.119 1.00 0.29 N ATOM 502 CA PRO A2080 5.285 -9.744 -2.800 1.00 0.32 C ATOM 503 C PRO A2080 5.279 -10.846 -1.748 1.00 0.45 C ATOM 504 O PRO A2080 5.050 -10.591 -0.564 1.00 0.51 O ATOM 505 CB PRO A2080 3.854 -9.216 -2.990 1.00 0.39 C ATOM 506 CG PRO A2080 3.484 -9.522 -4.405 1.00 0.39 C ATOM 507 CD PRO A2080 4.439 -10.575 -4.872 1.00 0.32 C ATOM 0 HA PRO A2080 5.999 -8.997 -2.452 1.00 0.32 H new ATOM 0 HB2 PRO A2080 3.166 -9.696 -2.295 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.805 -8.144 -2.797 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.455 -9.875 -4.470 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.555 -8.630 -5.027 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.078 -11.580 -4.653 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.609 -10.525 -5.948 1.00 0.32 H new ATOM 515 N GLU A2081 5.534 -12.075 -2.186 1.00 0.53 N ATOM 516 CA GLU A2081 5.491 -13.228 -1.300 1.00 0.64 C ATOM 517 C GLU A2081 6.587 -13.135 -0.238 1.00 0.56 C ATOM 518 O GLU A2081 6.508 -13.771 0.813 1.00 0.70 O ATOM 519 CB GLU A2081 5.637 -14.523 -2.105 1.00 0.84 C ATOM 520 CG GLU A2081 7.065 -14.856 -2.504 1.00 0.93 C ATOM 521 CD GLU A2081 7.190 -16.249 -3.077 1.00 1.28 C ATOM 522 OE1 GLU A2081 6.807 -16.457 -4.248 1.00 1.54 O ATOM 523 OE2 GLU A2081 7.668 -17.150 -2.359 1.00 1.45 O ATOM 0 H GLU A2081 5.773 -12.296 -3.153 1.00 0.53 H new ATOM 0 HA GLU A2081 4.525 -13.237 -0.795 1.00 0.64 H new ATOM 0 HB2 GLU A2081 5.235 -15.349 -1.518 1.00 0.84 H new ATOM 0 HB3 GLU A2081 5.029 -14.447 -3.006 1.00 0.84 H new ATOM 0 HG2 GLU A2081 7.413 -14.130 -3.239 1.00 0.93 H new ATOM 0 HG3 GLU A2081 7.714 -14.764 -1.633 1.00 0.93 H new ATOM 530 N SER A2082 7.583 -12.302 -0.506 1.00 0.43 N ATOM 531 CA SER A2082 8.735 -12.172 0.368 1.00 0.43 C ATOM 532 C SER A2082 8.668 -10.850 1.132 1.00 0.33 C ATOM 533 O SER A2082 9.673 -10.357 1.639 1.00 0.38 O ATOM 534 CB SER A2082 10.021 -12.268 -0.466 1.00 0.54 C ATOM 535 OG SER A2082 11.189 -12.119 0.328 1.00 0.63 O ATOM 0 H SER A2082 7.613 -11.702 -1.330 1.00 0.43 H new ATOM 0 HA SER A2082 8.735 -12.980 1.099 1.00 0.43 H new ATOM 0 HB2 SER A2082 10.051 -13.231 -0.975 1.00 0.54 H new ATOM 0 HB3 SER A2082 10.009 -11.499 -1.239 1.00 0.54 H new ATOM 0 HG SER A2082 11.024 -11.457 1.032 1.00 0.63 H new ATOM 541 N ILE A2083 7.476 -10.279 1.206 1.00 0.25 N ATOM 542 CA ILE A2083 7.274 -9.015 1.898 1.00 0.17 C ATOM 543 C ILE A2083 6.738 -9.258 3.301 1.00 0.15 C ATOM 544 O ILE A2083 5.621 -9.745 3.466 1.00 0.22 O ATOM 545 CB ILE A2083 6.287 -8.117 1.121 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.753 -7.961 -0.325 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.148 -6.747 1.779 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.988 -7.113 -0.473 1.00 0.22 C ATOM 0 H ILE A2083 6.630 -10.673 0.794 1.00 0.25 H new ATOM 0 HA ILE A2083 8.238 -8.510 1.962 1.00 0.17 H new ATOM 0 HB ILE A2083 5.308 -8.597 1.135 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.948 -8.948 -0.743 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.947 -7.520 -0.912 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.446 -6.139 1.208 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.778 -6.868 2.797 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.120 -6.254 1.802 1.00 0.12 H new ATOM 0 HD11 ILE A2083 8.260 -7.047 -1.526 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.792 -6.113 -0.085 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.808 -7.564 0.086 1.00 0.22 H new ATOM 560 N SER A2084 7.550 -8.948 4.301 1.00 0.14 N ATOM 561 CA SER A2084 7.136 -9.078 5.689 1.00 0.14 C ATOM 562 C SER A2084 6.344 -7.849 6.118 1.00 0.12 C ATOM 563 O SER A2084 6.894 -6.752 6.197 1.00 0.12 O ATOM 564 CB SER A2084 8.358 -9.246 6.588 1.00 0.19 C ATOM 565 OG SER A2084 9.137 -10.359 6.186 1.00 0.28 O ATOM 0 H SER A2084 8.502 -8.604 4.176 1.00 0.14 H new ATOM 0 HA SER A2084 6.502 -9.959 5.783 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.965 -8.342 6.554 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.038 -9.376 7.622 1.00 0.19 H new ATOM 0 HG SER A2084 9.915 -10.444 6.776 1.00 0.28 H new ATOM 571 N PRO A2085 5.042 -8.017 6.397 1.00 0.12 N ATOM 572 CA PRO A2085 4.174 -6.907 6.793 1.00 0.12 C ATOM 573 C PRO A2085 4.564 -6.313 8.131 1.00 0.12 C ATOM 574 O PRO A2085 4.331 -5.130 8.386 1.00 0.13 O ATOM 575 CB PRO A2085 2.784 -7.529 6.889 1.00 0.15 C ATOM 576 CG PRO A2085 3.012 -8.996 7.026 1.00 0.15 C ATOM 577 CD PRO A2085 4.314 -9.294 6.338 1.00 0.14 C ATOM 0 HA PRO A2085 4.238 -6.087 6.077 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.236 -7.135 7.745 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.192 -7.305 6.002 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.054 -9.285 8.076 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.196 -9.559 6.572 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.861 -10.090 6.844 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.158 -9.618 5.309 1.00 0.14 H new ATOM 585 N ALA A2086 5.149 -7.140 8.980 1.00 0.11 N ATOM 586 CA ALA A2086 5.533 -6.701 10.310 1.00 0.12 C ATOM 587 C ALA A2086 6.829 -5.900 10.281 1.00 0.11 C ATOM 588 O ALA A2086 7.036 -5.012 11.110 1.00 0.14 O ATOM 589 CB ALA A2086 5.669 -7.890 11.243 1.00 0.14 C ATOM 0 H ALA A2086 5.368 -8.115 8.773 1.00 0.11 H new ATOM 0 HA ALA A2086 4.745 -6.047 10.683 1.00 0.12 H new ATOM 0 HB1 ALA A2086 5.957 -7.543 12.235 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.716 -8.415 11.305 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.432 -8.568 10.860 1.00 0.14 H new ATOM 595 N THR A2087 7.701 -6.214 9.333 1.00 0.10 N ATOM 596 CA THR A2087 8.921 -5.458 9.159 1.00 0.11 C ATOM 597 C THR A2087 8.595 -4.134 8.508 1.00 0.10 C ATOM 598 O THR A2087 7.702 -4.035 7.669 1.00 0.10 O ATOM 599 CB THR A2087 9.941 -6.189 8.276 1.00 0.14 C ATOM 600 OG1 THR A2087 10.198 -7.504 8.790 1.00 0.16 O ATOM 601 CG2 THR A2087 11.249 -5.406 8.164 1.00 0.16 C ATOM 0 H THR A2087 7.582 -6.986 8.677 1.00 0.10 H new ATOM 0 HA THR A2087 9.361 -5.321 10.147 1.00 0.11 H new ATOM 0 HB THR A2087 9.512 -6.273 7.278 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.849 -7.958 8.215 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.948 -5.953 7.531 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.051 -4.428 7.725 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.682 -5.277 9.156 1.00 0.16 H new ATOM 609 N ALA A2088 9.332 -3.132 8.891 1.00 0.12 N ATOM 610 CA ALA A2088 9.120 -1.801 8.375 1.00 0.12 C ATOM 611 C ALA A2088 9.815 -1.645 7.046 1.00 0.11 C ATOM 612 O ALA A2088 10.876 -2.227 6.824 1.00 0.12 O ATOM 613 CB ALA A2088 9.598 -0.754 9.357 1.00 0.15 C ATOM 0 H ALA A2088 10.094 -3.208 9.565 1.00 0.12 H new ATOM 0 HA ALA A2088 8.050 -1.654 8.230 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.426 0.239 8.942 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.050 -0.856 10.293 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.663 -0.890 9.544 1.00 0.15 H new ATOM 619 N PHE A2089 9.204 -0.870 6.172 1.00 0.10 N ATOM 620 CA PHE A2089 9.740 -0.629 4.836 1.00 0.09 C ATOM 621 C PHE A2089 11.210 -0.242 4.875 1.00 0.09 C ATOM 622 O PHE A2089 11.988 -0.652 4.011 1.00 0.12 O ATOM 623 CB PHE A2089 8.944 0.466 4.151 1.00 0.09 C ATOM 624 CG PHE A2089 7.626 -0.001 3.623 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.562 -0.921 2.593 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.446 0.487 4.158 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.346 -1.346 2.107 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.228 0.065 3.674 1.00 0.12 C ATOM 629 CZ PHE A2089 5.190 -0.877 2.646 1.00 0.10 C ATOM 0 H PHE A2089 8.325 -0.389 6.361 1.00 0.10 H new ATOM 0 HA PHE A2089 9.654 -1.559 4.275 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.777 1.279 4.857 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.533 0.873 3.329 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.474 -1.310 2.166 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.481 1.206 4.963 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.311 -2.056 1.294 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.311 0.459 4.086 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.240 -1.234 2.278 1.00 0.10 H new ATOM 639 N LYS A2090 11.573 0.555 5.866 1.00 0.12 N ATOM 640 CA LYS A2090 12.953 0.907 6.111 1.00 0.16 C ATOM 641 C LYS A2090 13.845 -0.330 6.088 1.00 0.17 C ATOM 642 O LYS A2090 14.744 -0.451 5.253 1.00 0.20 O ATOM 643 CB LYS A2090 13.067 1.573 7.475 1.00 0.21 C ATOM 644 CG LYS A2090 14.494 1.789 7.916 1.00 0.29 C ATOM 645 CD LYS A2090 15.184 2.796 7.035 1.00 0.38 C ATOM 646 CE LYS A2090 14.928 4.204 7.515 1.00 1.54 C ATOM 647 NZ LYS A2090 15.770 5.198 6.798 1.00 1.69 N ATOM 0 H LYS A2090 10.914 0.975 6.522 1.00 0.12 H new ATOM 0 HA LYS A2090 13.279 1.588 5.325 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.553 2.534 7.447 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.554 0.959 8.215 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.511 2.133 8.950 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.035 0.843 7.886 1.00 0.29 H new ATOM 0 HD2 LYS A2090 16.256 2.601 7.026 1.00 0.38 H new ATOM 0 HD3 LYS A2090 14.831 2.688 6.009 1.00 0.38 H new ATOM 0 HE2 LYS A2090 13.876 4.450 7.372 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.127 4.264 8.585 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 15.563 6.152 7.158 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 16.775 4.979 6.954 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 15.562 5.159 5.780 1.00 1.69 H new ATOM 661 N ASP A2091 13.571 -1.250 7.005 1.00 0.17 N ATOM 662 CA ASP A2091 14.354 -2.478 7.140 1.00 0.20 C ATOM 663 C ASP A2091 14.203 -3.384 5.920 1.00 0.20 C ATOM 664 O ASP A2091 15.008 -4.292 5.702 1.00 0.32 O ATOM 665 CB ASP A2091 13.951 -3.232 8.407 1.00 0.24 C ATOM 666 CG ASP A2091 14.287 -2.463 9.667 1.00 1.23 C ATOM 667 OD1 ASP A2091 13.404 -1.751 10.188 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.440 -2.556 10.139 1.00 1.15 O ATOM 0 H ASP A2091 12.805 -1.169 7.674 1.00 0.17 H new ATOM 0 HA ASP A2091 15.403 -2.190 7.213 1.00 0.20 H new ATOM 0 HB2 ASP A2091 12.880 -3.433 8.382 1.00 0.24 H new ATOM 0 HB3 ASP A2091 14.456 -4.198 8.428 1.00 0.24 H new ATOM 673 N LEU A2092 13.173 -3.133 5.128 1.00 0.16 N ATOM 674 CA LEU A2092 12.918 -3.901 3.920 1.00 0.18 C ATOM 675 C LEU A2092 13.722 -3.375 2.732 1.00 0.19 C ATOM 676 O LEU A2092 13.853 -4.058 1.714 1.00 0.24 O ATOM 677 CB LEU A2092 11.420 -3.882 3.621 1.00 0.17 C ATOM 678 CG LEU A2092 10.578 -4.564 4.694 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.096 -4.374 4.457 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.915 -6.037 4.750 1.00 0.23 C ATOM 0 H LEU A2092 12.492 -2.394 5.303 1.00 0.16 H new ATOM 0 HA LEU A2092 13.242 -4.929 4.085 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.092 -2.848 3.515 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.242 -4.373 2.664 1.00 0.17 H new ATOM 0 HG LEU A2092 10.816 -4.098 5.650 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.534 -4.876 5.245 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.860 -3.310 4.465 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.825 -4.799 3.491 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.311 -6.520 5.518 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.706 -6.495 3.783 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.971 -6.160 4.989 1.00 0.23 H new ATOM 692 N GLY A2093 14.267 -2.173 2.863 1.00 0.16 N ATOM 693 CA GLY A2093 15.123 -1.640 1.822 1.00 0.18 C ATOM 694 C GLY A2093 14.556 -0.408 1.147 1.00 0.15 C ATOM 695 O GLY A2093 15.039 -0.001 0.089 1.00 0.20 O ATOM 0 H GLY A2093 14.133 -1.560 3.667 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.095 -1.395 2.251 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.292 -2.411 1.071 1.00 0.18 H new ATOM 699 N ILE A2094 13.523 0.175 1.731 1.00 0.13 N ATOM 700 CA ILE A2094 12.930 1.384 1.198 1.00 0.12 C ATOM 701 C ILE A2094 13.775 2.625 1.480 1.00 0.12 C ATOM 702 O ILE A2094 14.238 2.836 2.602 1.00 0.16 O ATOM 703 CB ILE A2094 11.511 1.550 1.770 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.556 0.655 0.988 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.064 3.001 1.759 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.214 1.188 -0.381 1.00 0.32 C ATOM 0 H ILE A2094 13.077 -0.174 2.579 1.00 0.13 H new ATOM 0 HA ILE A2094 12.882 1.284 0.114 1.00 0.12 H new ATOM 0 HB ILE A2094 11.509 1.244 2.816 1.00 0.12 H new ATOM 0 HG12 ILE A2094 11.002 -0.334 0.883 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.637 0.531 1.560 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.057 3.075 2.171 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.748 3.597 2.363 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.065 3.374 0.735 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.531 0.500 -0.879 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.739 2.164 -0.283 1.00 0.32 H new ATOM 0 HD13 ILE A2094 11.125 1.286 -0.971 1.00 0.32 H new ATOM 718 N ASP A2095 13.981 3.430 0.439 1.00 0.15 N ATOM 719 CA ASP A2095 14.633 4.728 0.577 1.00 0.19 C ATOM 720 C ASP A2095 13.595 5.823 0.402 1.00 0.16 C ATOM 721 O ASP A2095 12.425 5.523 0.196 1.00 0.17 O ATOM 722 CB ASP A2095 15.750 4.912 -0.458 1.00 0.28 C ATOM 723 CG ASP A2095 16.927 3.984 -0.236 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.659 4.176 0.760 1.00 1.23 O ATOM 725 OD2 ASP A2095 17.120 3.057 -1.052 1.00 1.86 O ATOM 0 H ASP A2095 13.703 3.202 -0.516 1.00 0.15 H new ATOM 0 HA ASP A2095 15.083 4.783 1.568 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.344 4.742 -1.455 1.00 0.28 H new ATOM 0 HB3 ASP A2095 16.099 5.944 -0.428 1.00 0.28 H new ATOM 730 N SER A2096 14.004 7.081 0.459 1.00 0.19 N ATOM 731 CA SER A2096 13.054 8.183 0.335 1.00 0.20 C ATOM 732 C SER A2096 12.398 8.193 -1.051 1.00 0.17 C ATOM 733 O SER A2096 11.204 8.475 -1.181 1.00 0.20 O ATOM 734 CB SER A2096 13.748 9.516 0.613 1.00 0.26 C ATOM 735 OG SER A2096 14.380 9.501 1.884 1.00 1.32 O ATOM 0 H SER A2096 14.975 7.366 0.589 1.00 0.19 H new ATOM 0 HA SER A2096 12.267 8.039 1.075 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.487 9.715 -0.163 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.019 10.325 0.574 1.00 0.26 H new ATOM 0 HG SER A2096 14.819 10.363 2.041 1.00 1.32 H new ATOM 741 N LEU A2097 13.182 7.874 -2.074 1.00 0.17 N ATOM 742 CA LEU A2097 12.719 7.801 -3.434 1.00 0.19 C ATOM 743 C LEU A2097 11.659 6.739 -3.581 1.00 0.18 C ATOM 744 O LEU A2097 10.555 7.003 -4.042 1.00 0.24 O ATOM 745 CB LEU A2097 13.920 7.443 -4.279 1.00 0.23 C ATOM 746 CG LEU A2097 13.842 7.802 -5.739 1.00 1.07 C ATOM 747 CD1 LEU A2097 13.496 9.271 -5.895 1.00 1.61 C ATOM 748 CD2 LEU A2097 15.174 7.490 -6.378 1.00 1.55 C ATOM 0 H LEU A2097 14.173 7.657 -1.968 1.00 0.17 H new ATOM 0 HA LEU A2097 12.279 8.749 -3.742 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.796 7.933 -3.853 1.00 0.23 H new ATOM 0 HB3 LEU A2097 14.086 6.369 -4.200 1.00 0.23 H new ATOM 0 HG LEU A2097 13.060 7.223 -6.230 1.00 1.07 H new ATOM 0 HD11 LEU A2097 13.442 9.522 -6.954 1.00 1.61 H new ATOM 0 HD12 LEU A2097 12.533 9.470 -5.425 1.00 1.61 H new ATOM 0 HD13 LEU A2097 14.265 9.879 -5.417 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.138 7.744 -7.437 1.00 1.55 H new ATOM 0 HD22 LEU A2097 15.956 8.073 -5.892 1.00 1.55 H new ATOM 0 HD23 LEU A2097 15.391 6.428 -6.266 1.00 1.55 H new ATOM 760 N THR A2098 12.001 5.536 -3.182 1.00 0.14 N ATOM 761 CA THR A2098 11.086 4.433 -3.307 1.00 0.15 C ATOM 762 C THR A2098 9.918 4.525 -2.343 1.00 0.16 C ATOM 763 O THR A2098 8.843 3.988 -2.613 1.00 0.17 O ATOM 764 CB THR A2098 11.793 3.089 -3.185 1.00 0.15 C ATOM 765 OG1 THR A2098 12.937 3.207 -2.327 1.00 0.17 O ATOM 766 CG2 THR A2098 12.199 2.626 -4.569 1.00 0.19 C ATOM 0 H THR A2098 12.904 5.300 -2.770 1.00 0.14 H new ATOM 0 HA THR A2098 10.672 4.502 -4.313 1.00 0.15 H new ATOM 0 HB THR A2098 11.121 2.353 -2.743 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.288 2.315 -2.126 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.707 1.664 -4.497 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.311 2.522 -5.193 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.872 3.359 -5.015 1.00 0.19 H new ATOM 774 N ALA A2099 10.118 5.208 -1.225 1.00 0.16 N ATOM 775 CA ALA A2099 9.016 5.526 -0.332 1.00 0.18 C ATOM 776 C ALA A2099 7.991 6.376 -1.072 1.00 0.21 C ATOM 777 O ALA A2099 6.805 6.397 -0.742 1.00 0.24 O ATOM 778 CB ALA A2099 9.517 6.259 0.903 1.00 0.18 C ATOM 0 H ALA A2099 11.028 5.550 -0.917 1.00 0.16 H new ATOM 0 HA ALA A2099 8.547 4.598 -0.006 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.675 6.487 1.557 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.230 5.630 1.435 1.00 0.18 H new ATOM 0 HB3 ALA A2099 10.005 7.186 0.603 1.00 0.18 H new ATOM 784 N LEU A2100 8.469 7.047 -2.101 1.00 0.20 N ATOM 785 CA LEU A2100 7.646 7.899 -2.921 1.00 0.24 C ATOM 786 C LEU A2100 7.065 7.069 -4.070 1.00 0.20 C ATOM 787 O LEU A2100 5.913 7.250 -4.468 1.00 0.21 O ATOM 788 CB LEU A2100 8.504 9.075 -3.423 1.00 0.30 C ATOM 789 CG LEU A2100 8.415 9.379 -4.912 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.094 10.048 -5.239 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.574 10.243 -5.359 1.00 1.15 C ATOM 0 H LEU A2100 9.447 7.013 -2.390 1.00 0.20 H new ATOM 0 HA LEU A2100 6.810 8.311 -2.356 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.216 9.970 -2.872 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.546 8.870 -3.176 1.00 0.30 H new ATOM 0 HG LEU A2100 8.469 8.435 -5.455 1.00 0.24 H new ATOM 0 HD11 LEU A2100 7.047 10.258 -6.308 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.273 9.386 -4.963 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.011 10.981 -4.682 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.486 10.445 -6.426 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.560 11.184 -4.809 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.512 9.723 -5.164 1.00 1.15 H new ATOM 803 N GLU A2101 7.866 6.137 -4.576 1.00 0.21 N ATOM 804 CA GLU A2101 7.453 5.268 -5.671 1.00 0.20 C ATOM 805 C GLU A2101 6.345 4.312 -5.235 1.00 0.17 C ATOM 806 O GLU A2101 5.427 4.017 -6.005 1.00 0.17 O ATOM 807 CB GLU A2101 8.651 4.484 -6.185 1.00 0.23 C ATOM 808 CG GLU A2101 9.819 5.377 -6.543 1.00 0.28 C ATOM 809 CD GLU A2101 10.924 4.644 -7.270 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.109 4.872 -6.943 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.615 3.816 -8.148 1.00 0.45 O ATOM 0 H GLU A2101 8.814 5.964 -4.241 1.00 0.21 H new ATOM 0 HA GLU A2101 7.057 5.893 -6.472 1.00 0.20 H new ATOM 0 HB2 GLU A2101 8.965 3.768 -5.426 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.355 3.909 -7.063 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.464 6.198 -7.166 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.223 5.820 -5.633 1.00 0.28 H new ATOM 818 N LEU A2102 6.443 3.819 -4.005 1.00 0.16 N ATOM 819 CA LEU A2102 5.398 2.993 -3.430 1.00 0.16 C ATOM 820 C LEU A2102 4.075 3.713 -3.436 1.00 0.16 C ATOM 821 O LEU A2102 3.134 3.301 -4.108 1.00 0.21 O ATOM 822 CB LEU A2102 5.731 2.632 -1.995 1.00 0.22 C ATOM 823 CG LEU A2102 6.846 1.625 -1.821 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.775 1.014 -0.444 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.756 0.559 -2.883 1.00 1.13 C ATOM 0 H LEU A2102 7.240 3.980 -3.389 1.00 0.16 H new ATOM 0 HA LEU A2102 5.329 2.091 -4.038 1.00 0.16 H new ATOM 0 HB2 LEU A2102 6.001 3.544 -1.462 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.832 2.239 -1.519 1.00 0.22 H new ATOM 0 HG LEU A2102 7.805 2.132 -1.927 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.581 0.290 -0.325 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.877 1.797 0.307 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.815 0.513 -0.317 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.564 -0.160 -2.747 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.797 0.046 -2.804 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.841 1.018 -3.868 1.00 1.13 H new ATOM 837 N ARG A2103 4.023 4.788 -2.668 1.00 0.18 N ATOM 838 CA ARG A2103 2.819 5.599 -2.556 1.00 0.25 C ATOM 839 C ARG A2103 2.298 5.978 -3.939 1.00 0.22 C ATOM 840 O ARG A2103 1.099 6.075 -4.139 1.00 0.24 O ATOM 841 CB ARG A2103 3.091 6.861 -1.719 1.00 0.37 C ATOM 842 CG ARG A2103 3.782 7.981 -2.484 1.00 0.72 C ATOM 843 CD ARG A2103 2.782 9.008 -3.006 1.00 0.65 C ATOM 844 NE ARG A2103 3.299 9.746 -4.160 1.00 1.21 N ATOM 845 CZ ARG A2103 2.788 10.897 -4.609 1.00 1.49 C ATOM 846 NH1 ARG A2103 1.785 11.485 -3.970 1.00 1.92 N ATOM 847 NH2 ARG A2103 3.281 11.458 -5.705 1.00 2.11 N ATOM 0 H ARG A2103 4.807 5.123 -2.108 1.00 0.18 H new ATOM 0 HA ARG A2103 2.055 5.009 -2.049 1.00 0.25 H new ATOM 0 HB2 ARG A2103 2.145 7.234 -1.327 1.00 0.37 H new ATOM 0 HB3 ARG A2103 3.706 6.589 -0.861 1.00 0.37 H new ATOM 0 HG2 ARG A2103 4.504 8.474 -1.834 1.00 0.72 H new ATOM 0 HG3 ARG A2103 4.341 7.560 -3.320 1.00 0.72 H new ATOM 0 HD2 ARG A2103 1.857 8.503 -3.284 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.535 9.710 -2.209 1.00 0.65 H new ATOM 0 HE ARG A2103 4.102 9.356 -4.654 1.00 1.21 H new ATOM 0 HH11 ARG A2103 1.397 11.059 -3.128 1.00 1.92 H new ATOM 0 HH12 ARG A2103 1.402 12.363 -4.320 1.00 1.92 H new ATOM 0 HH21 ARG A2103 4.050 11.011 -6.205 1.00 2.11 H new ATOM 0 HH22 ARG A2103 2.891 12.336 -6.048 1.00 2.11 H new ATOM 861 N ASN A2104 3.214 6.190 -4.882 1.00 0.21 N ATOM 862 CA ASN A2104 2.853 6.473 -6.267 1.00 0.22 C ATOM 863 C ASN A2104 2.002 5.347 -6.840 1.00 0.23 C ATOM 864 O ASN A2104 0.903 5.576 -7.341 1.00 0.29 O ATOM 865 CB ASN A2104 4.113 6.669 -7.116 1.00 0.23 C ATOM 866 CG ASN A2104 4.474 8.129 -7.301 1.00 0.31 C ATOM 867 OD1 ASN A2104 3.616 9.006 -7.237 1.00 0.40 O ATOM 868 ND2 ASN A2104 5.747 8.402 -7.547 1.00 0.36 N ATOM 0 H ASN A2104 4.219 6.170 -4.708 1.00 0.21 H new ATOM 0 HA ASN A2104 2.269 7.393 -6.289 1.00 0.22 H new ATOM 0 HB2 ASN A2104 4.948 6.150 -6.645 1.00 0.23 H new ATOM 0 HB3 ASN A2104 3.963 6.210 -8.093 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.043 9.367 -7.691 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.431 7.647 -7.593 1.00 0.36 H new ATOM 875 N THR A2105 2.507 4.127 -6.730 1.00 0.21 N ATOM 876 CA THR A2105 1.794 2.948 -7.205 1.00 0.24 C ATOM 877 C THR A2105 0.505 2.737 -6.404 1.00 0.22 C ATOM 878 O THR A2105 -0.545 2.415 -6.962 1.00 0.24 O ATOM 879 CB THR A2105 2.689 1.696 -7.082 1.00 0.28 C ATOM 880 OG1 THR A2105 3.989 1.970 -7.629 1.00 0.33 O ATOM 881 CG2 THR A2105 2.071 0.506 -7.803 1.00 0.28 C ATOM 0 H THR A2105 3.416 3.926 -6.312 1.00 0.21 H new ATOM 0 HA THR A2105 1.537 3.106 -8.253 1.00 0.24 H new ATOM 0 HB THR A2105 2.780 1.447 -6.025 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.500 2.520 -6.999 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.723 -0.361 -7.699 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.097 0.282 -7.367 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.949 0.744 -8.860 1.00 0.28 H new ATOM 889 N LEU A2106 0.602 2.941 -5.095 1.00 0.20 N ATOM 890 CA LEU A2106 -0.532 2.786 -4.184 1.00 0.19 C ATOM 891 C LEU A2106 -1.639 3.782 -4.501 1.00 0.18 C ATOM 892 O LEU A2106 -2.787 3.398 -4.699 1.00 0.22 O ATOM 893 CB LEU A2106 -0.072 2.995 -2.736 1.00 0.28 C ATOM 894 CG LEU A2106 0.491 1.766 -2.009 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.503 1.022 -2.862 1.00 1.25 C ATOM 896 CD2 LEU A2106 1.126 2.187 -0.694 1.00 1.47 C ATOM 0 H LEU A2106 1.468 3.219 -4.633 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.924 1.777 -4.311 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.691 3.773 -2.730 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.917 3.373 -2.161 1.00 0.28 H new ATOM 0 HG LEU A2106 -0.338 1.087 -1.812 1.00 0.50 H new ATOM 0 HD11 LEU A2106 1.878 0.159 -2.312 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.026 0.686 -3.783 1.00 1.25 H new ATOM 0 HD13 LEU A2106 2.333 1.686 -3.104 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.523 1.309 -0.184 1.00 1.47 H new ATOM 0 HD22 LEU A2106 1.936 2.890 -0.890 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.375 2.664 -0.064 1.00 1.47 H new ATOM 908 N THR A2107 -1.286 5.058 -4.549 1.00 0.19 N ATOM 909 CA THR A2107 -2.254 6.123 -4.767 1.00 0.27 C ATOM 910 C THR A2107 -2.868 6.005 -6.166 1.00 0.29 C ATOM 911 O THR A2107 -4.016 6.381 -6.391 1.00 0.33 O ATOM 912 CB THR A2107 -1.596 7.515 -4.551 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.585 8.518 -4.345 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.716 7.920 -5.721 1.00 0.44 C ATOM 0 H THR A2107 -0.326 5.383 -4.439 1.00 0.19 H new ATOM 0 HA THR A2107 -3.057 6.022 -4.037 1.00 0.27 H new ATOM 0 HB THR A2107 -0.970 7.427 -3.663 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.324 8.382 -4.974 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.278 8.899 -5.525 1.00 0.44 H new ATOM 0 HG22 THR A2107 0.079 7.186 -5.849 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.317 7.967 -6.629 1.00 0.44 H new ATOM 922 N HIS A2108 -2.092 5.445 -7.086 1.00 0.29 N ATOM 923 CA HIS A2108 -2.550 5.165 -8.440 1.00 0.35 C ATOM 924 C HIS A2108 -3.562 4.024 -8.431 1.00 0.35 C ATOM 925 O HIS A2108 -4.612 4.089 -9.072 1.00 0.47 O ATOM 926 CB HIS A2108 -1.340 4.787 -9.292 1.00 0.38 C ATOM 927 CG HIS A2108 -1.638 4.561 -10.739 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.661 5.568 -11.677 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.911 3.421 -11.403 1.00 1.06 C ATOM 930 CE1 HIS A2108 -1.942 5.055 -12.859 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.099 3.752 -12.722 1.00 1.29 N ATOM 0 H HIS A2108 -1.125 5.172 -6.913 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.037 6.048 -8.855 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.593 5.577 -9.208 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.893 3.881 -8.882 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.971 2.430 -10.977 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.029 5.608 -13.783 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.323 3.098 -13.472 1.00 1.29 H new ATOM 940 N ASN A2109 -3.221 2.983 -7.696 1.00 0.27 N ATOM 941 CA ASN A2109 -4.035 1.770 -7.614 1.00 0.28 C ATOM 942 C ASN A2109 -5.311 1.970 -6.800 1.00 0.28 C ATOM 943 O ASN A2109 -6.367 1.451 -7.154 1.00 0.36 O ATOM 944 CB ASN A2109 -3.212 0.641 -7.006 1.00 0.28 C ATOM 945 CG ASN A2109 -2.584 -0.247 -8.062 1.00 0.35 C ATOM 946 OD1 ASN A2109 -3.176 -1.236 -8.496 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.380 0.101 -8.479 1.00 0.39 N ATOM 0 H ASN A2109 -2.370 2.948 -7.134 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.337 1.516 -8.630 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.428 1.064 -6.377 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.849 0.038 -6.359 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.904 -0.458 -9.188 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.926 0.928 -8.092 1.00 0.39 H new ATOM 954 N THR A2110 -5.208 2.715 -5.716 1.00 0.25 N ATOM 955 CA THR A2110 -6.340 2.948 -4.833 1.00 0.26 C ATOM 956 C THR A2110 -7.227 4.032 -5.418 1.00 0.27 C ATOM 957 O THR A2110 -8.418 4.117 -5.115 1.00 0.33 O ATOM 958 CB THR A2110 -5.857 3.340 -3.424 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.967 4.462 -3.507 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.139 2.174 -2.762 1.00 0.29 C ATOM 0 H THR A2110 -4.346 3.174 -5.422 1.00 0.25 H new ATOM 0 HA THR A2110 -6.918 2.028 -4.745 1.00 0.26 H new ATOM 0 HB THR A2110 -6.727 3.607 -2.824 1.00 0.27 H new ATOM 0 HG1 THR A2110 -4.086 4.159 -3.811 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.805 2.470 -1.767 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.820 1.327 -2.679 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.277 1.888 -3.364 1.00 0.29 H new ATOM 968 N GLY A2111 -6.630 4.842 -6.285 1.00 0.23 N ATOM 969 CA GLY A2111 -7.363 5.880 -6.972 1.00 0.26 C ATOM 970 C GLY A2111 -7.454 7.145 -6.154 1.00 0.29 C ATOM 971 O GLY A2111 -8.055 8.132 -6.569 1.00 0.36 O ATOM 0 H GLY A2111 -5.640 4.794 -6.524 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.877 6.098 -7.923 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.367 5.524 -7.201 1.00 0.26 H new ATOM 975 N LEU A2112 -6.842 7.111 -4.986 1.00 0.28 N ATOM 976 CA LEU A2112 -6.873 8.227 -4.060 1.00 0.34 C ATOM 977 C LEU A2112 -5.644 9.081 -4.245 1.00 0.29 C ATOM 978 O LEU A2112 -4.993 9.045 -5.293 1.00 0.29 O ATOM 979 CB LEU A2112 -6.896 7.722 -2.622 1.00 0.43 C ATOM 980 CG LEU A2112 -7.274 6.263 -2.437 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.786 5.806 -1.089 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.771 6.056 -2.553 1.00 0.47 C ATOM 0 H LEU A2112 -6.309 6.308 -4.652 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.771 8.811 -4.259 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -5.909 7.880 -2.186 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.597 8.334 -2.054 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.805 5.674 -3.226 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.051 4.759 -0.942 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.703 5.917 -1.037 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.250 6.410 -0.310 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.004 5.000 -2.415 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.280 6.643 -1.788 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.107 6.376 -3.539 1.00 0.47 H new ATOM 994 N ASP A2113 -5.341 9.846 -3.219 1.00 0.28 N ATOM 995 CA ASP A2113 -4.171 10.695 -3.223 1.00 0.28 C ATOM 996 C ASP A2113 -3.512 10.672 -1.867 1.00 0.30 C ATOM 997 O ASP A2113 -4.074 11.111 -0.859 1.00 0.35 O ATOM 998 CB ASP A2113 -4.536 12.109 -3.599 1.00 0.34 C ATOM 999 CG ASP A2113 -3.344 13.050 -3.584 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -2.583 13.079 -4.575 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.154 13.757 -2.570 1.00 0.43 O ATOM 0 H ASP A2113 -5.895 9.897 -2.364 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.471 10.313 -3.966 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -4.982 12.112 -4.593 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.294 12.479 -2.909 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.333 10.120 -1.865 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.547 9.945 -0.666 1.00 0.30 C ATOM 1008 C LEU A2114 -0.257 10.750 -0.750 1.00 0.30 C ATOM 1009 O LEU A2114 0.277 10.972 -1.836 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.205 8.465 -0.474 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.378 7.526 -0.160 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -3.268 8.112 0.923 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.185 7.208 -1.407 1.00 0.91 C ATOM 0 H LEU A2114 -1.878 9.771 -2.709 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.134 10.298 0.182 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.715 8.108 -1.380 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.478 8.385 0.334 1.00 0.32 H new ATOM 0 HG LEU A2114 -1.959 6.591 0.211 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -4.091 7.428 1.127 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -2.685 8.260 1.832 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -3.667 9.070 0.588 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.007 6.541 -1.148 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.585 8.131 -1.827 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -2.543 6.723 -2.142 1.00 0.91 H new ATOM 1025 N PRO A2115 0.264 11.175 0.407 1.00 0.29 N ATOM 1026 CA PRO A2115 1.525 11.924 0.500 1.00 0.31 C ATOM 1027 C PRO A2115 2.731 11.035 0.221 1.00 0.28 C ATOM 1028 O PRO A2115 2.661 9.814 0.377 1.00 0.25 O ATOM 1029 CB PRO A2115 1.546 12.358 1.967 1.00 0.33 C ATOM 1030 CG PRO A2115 0.809 11.270 2.659 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.328 10.944 1.738 1.00 0.30 C ATOM 0 HA PRO A2115 1.578 12.741 -0.219 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.565 12.455 2.343 1.00 0.33 H new ATOM 0 HB3 PRO A2115 1.061 13.324 2.107 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.447 10.402 2.826 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.449 11.593 3.636 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.666 9.915 1.859 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.191 11.586 1.915 1.00 0.30 H new ATOM 1039 N PRO A2116 3.865 11.628 -0.182 1.00 0.33 N ATOM 1040 CA PRO A2116 5.105 10.881 -0.372 1.00 0.36 C ATOM 1041 C PRO A2116 5.751 10.529 0.967 1.00 0.34 C ATOM 1042 O PRO A2116 6.774 9.852 1.024 1.00 0.43 O ATOM 1043 CB PRO A2116 5.974 11.842 -1.184 1.00 0.44 C ATOM 1044 CG PRO A2116 5.505 13.197 -0.786 1.00 0.46 C ATOM 1045 CD PRO A2116 4.031 13.062 -0.496 1.00 0.43 C ATOM 0 HA PRO A2116 4.956 9.924 -0.872 1.00 0.36 H new ATOM 0 HB2 PRO A2116 7.032 11.706 -0.959 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.852 11.679 -2.255 1.00 0.44 H new ATOM 0 HG2 PRO A2116 6.044 13.553 0.092 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.681 13.920 -1.583 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.728 13.692 0.340 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.426 13.357 -1.353 1.00 0.43 H new ATOM 1053 N THR A2117 5.128 10.998 2.044 1.00 0.27 N ATOM 1054 CA THR A2117 5.557 10.680 3.396 1.00 0.24 C ATOM 1055 C THR A2117 4.732 9.534 3.972 1.00 0.17 C ATOM 1056 O THR A2117 4.878 9.186 5.139 1.00 0.15 O ATOM 1057 CB THR A2117 5.431 11.911 4.307 1.00 0.27 C ATOM 1058 OG1 THR A2117 4.165 12.548 4.081 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.561 12.898 4.049 1.00 0.36 C ATOM 0 H THR A2117 4.312 11.609 2.001 1.00 0.27 H new ATOM 0 HA THR A2117 6.602 10.374 3.350 1.00 0.24 H new ATOM 0 HB THR A2117 5.496 11.583 5.344 1.00 0.27 H new ATOM 0 HG1 THR A2117 4.085 13.332 4.664 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.448 13.760 4.707 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.518 12.415 4.245 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.527 13.227 3.010 1.00 0.36 H new ATOM 1067 N LEU A2118 3.856 8.966 3.142 1.00 0.16 N ATOM 1068 CA LEU A2118 3.034 7.828 3.499 1.00 0.16 C ATOM 1069 C LEU A2118 3.811 6.753 4.251 1.00 0.16 C ATOM 1070 O LEU A2118 3.456 6.377 5.369 1.00 0.19 O ATOM 1071 CB LEU A2118 2.519 7.246 2.207 1.00 0.23 C ATOM 1072 CG LEU A2118 1.299 6.375 2.322 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.164 7.168 2.931 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.949 5.872 0.949 1.00 0.77 C ATOM 0 H LEU A2118 3.701 9.295 2.189 1.00 0.16 H new ATOM 0 HA LEU A2118 2.235 8.160 4.162 1.00 0.16 H new ATOM 0 HB2 LEU A2118 2.294 8.066 1.525 1.00 0.23 H new ATOM 0 HB3 LEU A2118 3.318 6.662 1.750 1.00 0.23 H new ATOM 0 HG LEU A2118 1.489 5.522 2.973 1.00 0.33 H new ATOM 0 HD11 LEU A2118 -0.719 6.535 3.013 1.00 0.79 H new ATOM 0 HD12 LEU A2118 0.454 7.516 3.922 1.00 0.79 H new ATOM 0 HD13 LEU A2118 -0.062 8.025 2.297 1.00 0.79 H new ATOM 0 HD21 LEU A2118 0.065 5.237 1.009 1.00 0.77 H new ATOM 0 HD22 LEU A2118 0.744 6.718 0.293 1.00 0.77 H new ATOM 0 HD23 LEU A2118 1.783 5.296 0.549 1.00 0.77 H new ATOM 1086 N ILE A2119 4.859 6.262 3.605 1.00 0.15 N ATOM 1087 CA ILE A2119 5.710 5.210 4.161 1.00 0.18 C ATOM 1088 C ILE A2119 6.265 5.607 5.526 1.00 0.20 C ATOM 1089 O ILE A2119 6.493 4.766 6.386 1.00 0.28 O ATOM 1090 CB ILE A2119 6.897 4.907 3.219 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.413 4.667 1.786 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.703 3.713 3.717 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.358 3.597 1.643 1.00 0.20 C ATOM 0 H ILE A2119 5.147 6.580 2.679 1.00 0.15 H new ATOM 0 HA ILE A2119 5.087 4.322 4.269 1.00 0.18 H new ATOM 0 HB ILE A2119 7.549 5.780 3.218 1.00 0.19 H new ATOM 0 HG12 ILE A2119 6.017 5.602 1.390 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.270 4.397 1.169 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.531 3.523 3.035 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.094 3.927 4.712 1.00 0.24 H new ATOM 0 HG23 ILE A2119 7.061 2.833 3.761 1.00 0.24 H new ATOM 0 HD11 ILE A2119 5.079 3.499 0.594 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.752 2.647 2.004 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.480 3.871 2.228 1.00 0.20 H new ATOM 1105 N PHE A2120 6.472 6.898 5.711 1.00 0.17 N ATOM 1106 CA PHE A2120 7.051 7.420 6.929 1.00 0.19 C ATOM 1107 C PHE A2120 5.990 7.620 8.011 1.00 0.20 C ATOM 1108 O PHE A2120 6.274 7.513 9.206 1.00 0.26 O ATOM 1109 CB PHE A2120 7.744 8.734 6.603 1.00 0.19 C ATOM 1110 CG PHE A2120 8.991 8.534 5.798 1.00 0.24 C ATOM 1111 CD1 PHE A2120 9.980 7.660 6.218 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.183 9.247 4.629 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.137 7.501 5.478 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.331 9.092 3.888 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.290 8.106 4.303 1.00 0.38 C ATOM 0 H PHE A2120 6.242 7.612 5.019 1.00 0.17 H new ATOM 0 HA PHE A2120 7.772 6.704 7.323 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.058 9.377 6.052 1.00 0.19 H new ATOM 0 HB3 PHE A2120 7.991 9.252 7.530 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.846 7.098 7.131 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.421 9.935 4.293 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.930 6.875 5.860 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.508 9.699 3.012 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.127 7.858 3.667 1.00 0.38 H new ATOM 1125 N ASP A2121 4.769 7.904 7.575 1.00 0.17 N ATOM 1126 CA ASP A2121 3.652 8.173 8.481 1.00 0.22 C ATOM 1127 C ASP A2121 3.046 6.879 9.009 1.00 0.20 C ATOM 1128 O ASP A2121 2.569 6.812 10.142 1.00 0.29 O ATOM 1129 CB ASP A2121 2.574 8.974 7.751 1.00 0.29 C ATOM 1130 CG ASP A2121 1.550 9.574 8.694 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.339 9.451 8.419 1.00 1.34 O ATOM 1132 OD2 ASP A2121 1.953 10.180 9.709 1.00 0.88 O ATOM 0 H ASP A2121 4.522 7.955 6.587 1.00 0.17 H new ATOM 0 HA ASP A2121 4.034 8.746 9.325 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.046 9.772 7.178 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.067 8.326 7.036 1.00 0.29 H new ATOM 1137 N HIS A2122 3.053 5.860 8.166 1.00 0.14 N ATOM 1138 CA HIS A2122 2.524 4.544 8.513 1.00 0.14 C ATOM 1139 C HIS A2122 3.467 3.491 7.965 1.00 0.14 C ATOM 1140 O HIS A2122 3.215 2.901 6.915 1.00 0.14 O ATOM 1141 CB HIS A2122 1.126 4.326 7.924 1.00 0.16 C ATOM 1142 CG HIS A2122 0.117 5.349 8.341 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.695 5.214 9.444 1.00 0.34 N ATOM 1144 CD2 HIS A2122 -0.199 6.537 7.788 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.467 6.279 9.550 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -1.187 7.102 8.557 1.00 0.40 N ATOM 0 H HIS A2122 3.426 5.918 7.218 1.00 0.14 H new ATOM 0 HA HIS A2122 2.444 4.473 9.598 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.198 4.326 6.836 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.770 3.339 8.220 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.244 6.966 6.902 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.205 6.449 10.320 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.630 8.005 8.389 1.00 0.40 H new ATOM 1155 N PRO A2123 4.569 3.242 8.664 1.00 0.16 N ATOM 1156 CA PRO A2123 5.631 2.428 8.141 1.00 0.17 C ATOM 1157 C PRO A2123 5.479 0.964 8.507 1.00 0.15 C ATOM 1158 O PRO A2123 5.698 0.568 9.650 1.00 0.19 O ATOM 1159 CB PRO A2123 6.854 3.025 8.841 1.00 0.20 C ATOM 1160 CG PRO A2123 6.338 3.713 10.072 1.00 0.25 C ATOM 1161 CD PRO A2123 4.833 3.681 10.011 1.00 0.20 C ATOM 0 HA PRO A2123 5.672 2.437 7.052 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.572 2.247 9.102 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.370 3.729 8.189 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.696 3.211 10.971 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.698 4.741 10.116 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.414 2.995 10.748 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.401 4.662 10.207 1.00 0.20 H new ATOM 1169 N THR A2124 5.034 0.216 7.512 1.00 0.12 N ATOM 1170 CA THR A2124 5.138 -1.230 7.374 1.00 0.10 C ATOM 1171 C THR A2124 4.201 -1.595 6.240 1.00 0.10 C ATOM 1172 O THR A2124 3.294 -0.805 5.956 1.00 0.11 O ATOM 1173 CB THR A2124 4.791 -2.046 8.637 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.720 -1.443 9.364 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.008 -2.185 9.519 1.00 0.11 C ATOM 0 H THR A2124 4.553 0.635 6.716 1.00 0.12 H new ATOM 0 HA THR A2124 6.181 -1.485 7.186 1.00 0.10 H new ATOM 0 HB THR A2124 4.467 -3.037 8.320 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.520 -1.981 10.158 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.750 -2.763 10.407 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.799 -2.697 8.970 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.356 -1.196 9.818 1.00 0.11 H new ATOM 1183 N PRO A2125 4.358 -2.727 5.553 1.00 0.11 N ATOM 1184 CA PRO A2125 3.355 -3.134 4.579 1.00 0.12 C ATOM 1185 C PRO A2125 1.984 -3.217 5.240 1.00 0.13 C ATOM 1186 O PRO A2125 0.978 -2.792 4.668 1.00 0.14 O ATOM 1187 CB PRO A2125 3.824 -4.506 4.105 1.00 0.12 C ATOM 1188 CG PRO A2125 5.279 -4.541 4.416 1.00 0.12 C ATOM 1189 CD PRO A2125 5.485 -3.665 5.625 1.00 0.11 C ATOM 0 HA PRO A2125 3.254 -2.430 3.753 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.291 -5.305 4.619 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.645 -4.638 3.038 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.607 -5.561 4.617 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.864 -4.178 3.571 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.470 -4.243 6.549 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.443 -3.147 5.589 1.00 0.11 H new ATOM 1197 N HIS A2126 1.967 -3.709 6.481 1.00 0.13 N ATOM 1198 CA HIS A2126 0.736 -3.822 7.246 1.00 0.15 C ATOM 1199 C HIS A2126 0.178 -2.452 7.624 1.00 0.14 C ATOM 1200 O HIS A2126 -1.012 -2.227 7.465 1.00 0.16 O ATOM 1201 CB HIS A2126 0.966 -4.689 8.487 1.00 0.18 C ATOM 1202 CG HIS A2126 -0.182 -4.701 9.451 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.372 -5.346 9.196 1.00 0.35 N ATOM 1204 CD2 HIS A2126 -0.321 -4.127 10.668 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -2.193 -5.165 10.214 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.580 -4.431 11.119 1.00 0.40 N ATOM 0 H HIS A2126 2.798 -4.035 6.974 1.00 0.13 H new ATOM 0 HA HIS A2126 -0.011 -4.306 6.617 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.169 -5.712 8.169 1.00 0.18 H new ATOM 0 HB3 HIS A2126 1.857 -4.333 9.005 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.421 -3.539 11.188 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -3.198 -5.553 10.291 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.977 -4.136 12.011 1.00 0.40 H new ATOM 1215 N ALA A2127 1.025 -1.535 8.101 1.00 0.13 N ATOM 1216 CA ALA A2127 0.556 -0.194 8.487 1.00 0.12 C ATOM 1217 C ALA A2127 -0.168 0.482 7.329 1.00 0.11 C ATOM 1218 O ALA A2127 -1.154 1.195 7.522 1.00 0.11 O ATOM 1219 CB ALA A2127 1.709 0.689 8.962 1.00 0.13 C ATOM 0 H ALA A2127 2.025 -1.689 8.229 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.141 -0.323 9.315 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.325 1.671 9.239 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.187 0.229 9.827 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.439 0.797 8.160 1.00 0.13 H new ATOM 1225 N LEU A2128 0.320 0.247 6.124 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.300 0.799 4.943 1.00 0.11 C ATOM 1227 C LEU A2128 -1.528 0.003 4.539 1.00 0.13 C ATOM 1228 O LEU A2128 -2.483 0.561 4.002 1.00 0.14 O ATOM 1229 CB LEU A2128 0.707 0.842 3.816 1.00 0.11 C ATOM 1230 CG LEU A2128 1.800 1.876 4.000 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.678 1.897 2.775 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.198 3.252 4.274 1.00 0.12 C ATOM 0 H LEU A2128 1.145 -0.324 5.942 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.631 1.813 5.166 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.166 -0.142 3.716 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.183 1.046 2.882 1.00 0.11 H new ATOM 0 HG LEU A2128 2.410 1.609 4.863 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.465 2.640 2.904 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.127 0.914 2.632 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.078 2.152 1.902 1.00 0.12 H new ATOM 0 HD21 LEU A2128 1.999 3.980 4.403 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.570 3.548 3.434 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.595 3.211 5.181 1.00 0.12 H new ATOM 1244 N THR A2129 -1.510 -1.294 4.820 1.00 0.15 N ATOM 1245 CA THR A2129 -2.664 -2.138 4.572 1.00 0.17 C ATOM 1246 C THR A2129 -3.858 -1.582 5.330 1.00 0.17 C ATOM 1247 O THR A2129 -4.995 -1.641 4.864 1.00 0.20 O ATOM 1248 CB THR A2129 -2.414 -3.601 5.009 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.239 -4.123 4.375 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.596 -4.485 4.660 1.00 0.18 C ATOM 0 H THR A2129 -0.708 -1.781 5.220 1.00 0.15 H new ATOM 0 HA THR A2129 -2.857 -2.140 3.499 1.00 0.17 H new ATOM 0 HB THR A2129 -2.277 -3.599 6.090 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.458 -3.598 4.649 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.392 -5.507 4.979 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.488 -4.117 5.168 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.759 -4.466 3.582 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.572 -0.999 6.485 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.611 -0.405 7.303 1.00 0.18 C ATOM 1260 C GLN A2130 -4.990 0.967 6.759 1.00 0.17 C ATOM 1261 O GLN A2130 -6.170 1.263 6.573 1.00 0.20 O ATOM 1262 CB GLN A2130 -4.171 -0.253 8.764 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.066 -1.204 9.200 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.637 -0.997 10.644 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.478 -1.221 10.991 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.557 -0.570 11.498 1.00 1.13 N ATOM 0 H GLN A2130 -2.632 -0.926 6.873 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.470 -1.076 7.267 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.833 0.771 8.922 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -5.037 -0.406 9.407 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.407 -2.231 9.072 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.203 -1.072 8.548 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.509 -0.394 11.176 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.313 -0.417 12.477 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.985 1.805 6.498 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.234 3.178 6.076 1.00 0.18 C ATOM 1277 C HIS A2131 -4.995 3.235 4.756 1.00 0.18 C ATOM 1278 O HIS A2131 -6.041 3.871 4.674 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.924 3.964 5.968 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.125 5.403 5.597 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -2.749 6.089 4.496 1.00 0.32 N flip ATOM 1282 CD2 HIS A2131 -3.802 6.302 6.391 1.00 0.27 C flip ATOM 1283 CE1 HIS A2131 -3.200 7.377 4.639 1.00 0.35 C flip ATOM 1284 NE2 HIS A2131 -3.836 7.478 5.791 1.00 0.31 N flip ATOM 0 H HIS A2131 -2.999 1.556 6.572 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.857 3.641 6.841 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.397 3.912 6.921 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.284 3.490 5.224 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -4.237 6.080 7.354 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -3.058 8.176 3.927 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -4.279 8.321 6.156 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.471 2.581 3.726 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.133 2.558 2.429 1.00 0.21 C ATOM 1295 C LEU A2132 -6.531 1.954 2.533 1.00 0.21 C ATOM 1296 O LEU A2132 -7.456 2.411 1.866 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.292 1.803 1.390 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.077 2.567 0.848 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.469 3.984 0.483 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.944 2.586 1.855 1.00 0.64 C ATOM 0 H LEU A2132 -3.594 2.062 3.764 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.235 3.591 2.095 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.945 0.871 1.836 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.935 1.535 0.552 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.728 2.049 -0.045 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.598 4.515 0.100 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.245 3.961 -0.282 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.846 4.497 1.368 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.098 3.135 1.441 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.279 3.073 2.771 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.639 1.564 2.079 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.693 0.956 3.400 1.00 0.20 N ATOM 1313 CA HIS A2133 -7.997 0.347 3.618 1.00 0.21 C ATOM 1314 C HIS A2133 -8.935 1.364 4.243 1.00 0.21 C ATOM 1315 O HIS A2133 -10.112 1.442 3.895 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.884 -0.880 4.528 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.191 -1.572 4.754 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.710 -1.814 6.005 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.093 -2.066 3.874 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.871 -2.425 5.888 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.130 -2.589 4.604 1.00 0.31 N ATOM 0 H HIS A2133 -5.939 0.556 3.959 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.393 0.024 2.655 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.179 -1.585 4.089 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.472 -0.574 5.490 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -10.011 -2.051 2.797 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.504 -2.739 6.705 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.964 -3.032 4.218 1.00 0.31 H new ATOM 1330 N THR A2134 -8.398 2.143 5.167 1.00 0.18 N ATOM 1331 CA THR A2134 -9.162 3.177 5.825 1.00 0.22 C ATOM 1332 C THR A2134 -9.586 4.243 4.818 1.00 0.26 C ATOM 1333 O THR A2134 -10.754 4.605 4.746 1.00 0.34 O ATOM 1334 CB THR A2134 -8.360 3.813 6.977 1.00 0.26 C ATOM 1335 OG1 THR A2134 -7.922 2.787 7.883 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.197 4.834 7.734 1.00 0.36 C ATOM 0 H THR A2134 -7.429 2.074 5.477 1.00 0.18 H new ATOM 0 HA THR A2134 -10.055 2.720 6.251 1.00 0.22 H new ATOM 0 HB THR A2134 -7.499 4.326 6.549 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.116 2.358 7.527 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.604 5.265 8.540 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.511 5.624 7.052 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.077 4.345 8.152 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.633 4.696 4.014 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.886 5.706 2.987 1.00 0.32 C ATOM 1346 C ARG A2135 -10.057 5.313 2.082 1.00 0.40 C ATOM 1347 O ARG A2135 -10.961 6.111 1.835 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.633 5.897 2.137 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.456 6.462 2.906 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.692 7.913 3.276 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.539 8.809 2.131 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.508 10.138 2.231 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -6.656 10.720 3.413 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.335 10.886 1.148 1.00 1.64 N ATOM 0 H ARG A2135 -7.665 4.377 4.053 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.146 6.637 3.492 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.347 4.937 1.706 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.866 6.563 1.306 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.292 5.875 3.810 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.551 6.379 2.304 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.695 8.022 3.688 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -5.992 8.205 4.059 1.00 0.33 H new ATOM 0 HE ARG A2135 -6.451 8.394 1.203 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -6.794 10.151 4.248 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -6.632 11.737 3.487 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -6.225 10.444 0.235 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -6.312 11.903 1.229 1.00 1.64 H new ATOM 1368 N LEU A2136 -10.030 4.076 1.600 1.00 0.41 N ATOM 1369 CA LEU A2136 -11.034 3.565 0.680 1.00 0.51 C ATOM 1370 C LEU A2136 -12.417 3.469 1.317 1.00 0.58 C ATOM 1371 O LEU A2136 -13.434 3.543 0.623 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.595 2.185 0.198 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.281 2.168 -0.578 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.779 0.749 -0.773 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.461 2.849 -1.916 1.00 0.75 C ATOM 0 H LEU A2136 -9.307 3.398 1.839 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.115 4.263 -0.153 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.499 1.527 1.062 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.380 1.769 -0.434 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.535 2.712 0.002 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.842 0.768 -1.329 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.615 0.284 0.199 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.519 0.174 -1.330 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.518 2.832 -2.463 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.224 2.324 -2.492 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.771 3.882 -1.760 1.00 0.75 H new ATOM 1387 N THR A2137 -12.455 3.311 2.629 1.00 0.43 N ATOM 1388 CA THR A2137 -13.692 3.011 3.322 1.00 0.47 C ATOM 1389 C THR A2137 -14.257 4.230 4.047 1.00 0.54 C ATOM 1390 O THR A2137 -15.449 4.285 4.361 1.00 0.68 O ATOM 1391 CB THR A2137 -13.462 1.862 4.316 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.376 2.182 5.193 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.135 0.580 3.570 1.00 0.42 C ATOM 0 H THR A2137 -11.639 3.386 3.236 1.00 0.43 H new ATOM 0 HA THR A2137 -14.427 2.712 2.575 1.00 0.47 H new ATOM 0 HB THR A2137 -14.373 1.721 4.897 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.536 1.860 4.805 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.974 -0.226 4.286 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.964 0.321 2.911 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.232 0.724 2.977 1.00 0.42 H new