USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=21 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= -6.44! C(o=-6.7!,f=-8.8!) USER MOD Set 1.2: A2079 THR OG1 : rot -170:sc= -0.235 USER MOD Set 2.1: A2059 GLN : amide:sc= 0.333 K(o=0.25,f=-2.9!) USER MOD Set 2.2: A2133 HIS : no HD1:sc= -0.0866 K(o=0.25,f=-3.1) USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.37) USER MOD Single : A2060 GLN :FLIP amide:sc= -0.399 F(o=-1.1,f=-0.4) USER MOD Single : A2061 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A2062 THR OG1 : rot 70:sc= 1.29 USER MOD Single : A2065 THR OG1 : rot 80:sc= 1.2 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A2073 THR OG1 : rot 77:sc= 0.854 USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=-0.0054) USER MOD Single : A2082 SER OG : rot -41:sc= 0.531 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+ 153:sc= 0.606 (180deg=0.247) USER MOD Single : A2096 SER OG : rot 180:sc= 0.00164 USER MOD Single : A2098 THR OG1 : rot 170:sc= 0.544 USER MOD Single : A2104 ASN : amide:sc= -0.42 K(o=-0.42,f=-4.8!) USER MOD Single : A2105 THR OG1 : rot 70:sc= 0.252 USER MOD Single : A2107 THR OG1 : rot -60:sc= 0.337 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= -0.824! C(o=-0.82!,f=-1.6!) USER MOD Single : A2110 THR OG1 : rot -85:sc= 0.344 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.512 USER MOD Single : A2122 HIS : no HD1:sc= -0.453 X(o=-0.45,f=-0.46) USER MOD Single : A2124 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 43:sc= 0.691 USER MOD Single : A2130 GLN : amide:sc= -0.313 X(o=-0.31,f=0) USER MOD Single : A2131 HIS : no HD1:sc= -0.2 X(o=-0.2,f=-0.008) USER MOD Single : A2134 THR OG1 : rot 72:sc= 0.84 USER MOD Single : A2137 THR OG1 : rot -86:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -13.894 -6.714 5.576 1.00 0.67 N ATOM 151 CA PRO A2056 -12.737 -5.849 5.819 1.00 0.61 C ATOM 152 C PRO A2056 -11.400 -6.548 5.610 1.00 0.54 C ATOM 153 O PRO A2056 -10.557 -6.053 4.868 1.00 0.50 O ATOM 154 CB PRO A2056 -12.929 -5.454 7.271 1.00 0.71 C ATOM 155 CG PRO A2056 -14.402 -5.354 7.406 1.00 0.86 C ATOM 156 CD PRO A2056 -14.972 -6.452 6.547 1.00 0.81 C ATOM 0 HA PRO A2056 -12.696 -5.010 5.124 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -12.513 -6.199 7.949 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -12.439 -4.507 7.498 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -14.708 -5.473 8.445 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -14.759 -4.377 7.079 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.210 -7.339 7.133 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -15.892 -6.140 6.053 1.00 0.81 H new ATOM 164 N GLN A2057 -11.233 -7.714 6.228 1.00 0.58 N ATOM 165 CA GLN A2057 -9.991 -8.475 6.135 1.00 0.60 C ATOM 166 C GLN A2057 -9.679 -8.858 4.685 1.00 0.57 C ATOM 167 O GLN A2057 -8.524 -8.815 4.260 1.00 0.57 O ATOM 168 CB GLN A2057 -10.092 -9.731 6.992 1.00 0.71 C ATOM 169 CG GLN A2057 -8.783 -10.477 7.143 1.00 0.83 C ATOM 170 CD GLN A2057 -8.952 -11.791 7.873 1.00 1.19 C ATOM 171 OE1 GLN A2057 -9.165 -12.836 7.258 1.00 1.63 O ATOM 172 NE2 GLN A2057 -8.866 -11.749 9.190 1.00 1.95 N ATOM 0 H GLN A2057 -11.950 -8.156 6.804 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.179 -7.846 6.500 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.458 -9.456 7.981 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -10.832 -10.400 6.553 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.358 -10.664 6.157 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.072 -9.852 7.684 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -8.688 -10.862 9.661 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -8.977 -12.603 9.736 1.00 1.95 H new ATOM 181 N GLN A2058 -10.717 -9.221 3.932 1.00 0.59 N ATOM 182 CA GLN A2058 -10.568 -9.540 2.513 1.00 0.64 C ATOM 183 C GLN A2058 -9.999 -8.341 1.772 1.00 0.57 C ATOM 184 O GLN A2058 -9.088 -8.467 0.952 1.00 0.59 O ATOM 185 CB GLN A2058 -11.918 -9.941 1.898 1.00 0.75 C ATOM 186 CG GLN A2058 -12.480 -11.236 2.455 1.00 0.83 C ATOM 187 CD GLN A2058 -11.557 -12.414 2.217 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.689 -12.715 3.036 1.00 1.44 O ATOM 189 NE2 GLN A2058 -11.731 -13.085 1.094 1.00 1.60 N ATOM 0 H GLN A2058 -11.672 -9.301 4.282 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.883 -10.383 2.419 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.637 -9.140 2.068 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.801 -10.040 0.819 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.653 -11.124 3.525 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.448 -11.437 1.995 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -12.462 -12.804 0.440 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -11.135 -13.884 0.880 1.00 1.60 H new ATOM 198 N GLN A2059 -10.534 -7.173 2.091 1.00 0.54 N ATOM 199 CA GLN A2059 -10.068 -5.926 1.506 1.00 0.52 C ATOM 200 C GLN A2059 -8.649 -5.627 1.964 1.00 0.47 C ATOM 201 O GLN A2059 -7.824 -5.151 1.188 1.00 0.49 O ATOM 202 CB GLN A2059 -10.979 -4.775 1.913 1.00 0.57 C ATOM 203 CG GLN A2059 -12.448 -5.022 1.640 1.00 0.72 C ATOM 204 CD GLN A2059 -13.293 -3.829 2.019 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.690 -3.672 3.173 1.00 1.50 O ATOM 206 NE2 GLN A2059 -13.580 -2.988 1.045 1.00 1.19 N ATOM 0 H GLN A2059 -11.298 -7.063 2.758 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.084 -6.032 0.421 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -10.846 -4.580 2.977 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.668 -3.875 1.382 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.589 -5.247 0.583 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.780 -5.896 2.199 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -13.228 -3.159 0.103 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -14.154 -2.166 1.233 1.00 1.19 H new ATOM 215 N GLN A2060 -8.373 -5.906 3.235 1.00 0.44 N ATOM 216 CA GLN A2060 -7.055 -5.668 3.798 1.00 0.42 C ATOM 217 C GLN A2060 -6.015 -6.474 3.060 1.00 0.39 C ATOM 218 O GLN A2060 -5.096 -5.911 2.502 1.00 0.37 O ATOM 219 CB GLN A2060 -6.999 -6.022 5.282 1.00 0.45 C ATOM 220 CG GLN A2060 -8.039 -5.308 6.117 1.00 0.50 C ATOM 221 CD GLN A2060 -8.009 -5.710 7.580 1.00 0.60 C ATOM 222 OE1 GLN A2060 -6.828 -6.008 8.098 1.00 0.78 O flip ATOM 223 NE2 GLN A2060 -9.045 -5.732 8.248 1.00 0.95 N flip ATOM 0 H GLN A2060 -9.048 -6.297 3.892 1.00 0.44 H new ATOM 0 HA GLN A2060 -6.848 -4.603 3.689 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.131 -7.098 5.395 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.008 -5.780 5.667 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -7.882 -4.232 6.039 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.028 -5.516 5.710 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -9.937 -5.496 7.813 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -9.010 -5.986 9.235 1.00 0.95 H new ATOM 232 N GLN A2061 -6.181 -7.787 3.046 1.00 0.41 N ATOM 233 CA GLN A2061 -5.238 -8.676 2.369 1.00 0.42 C ATOM 234 C GLN A2061 -5.041 -8.279 0.915 1.00 0.43 C ATOM 235 O GLN A2061 -3.957 -8.440 0.353 1.00 0.41 O ATOM 236 CB GLN A2061 -5.723 -10.104 2.453 1.00 0.51 C ATOM 237 CG GLN A2061 -5.708 -10.640 3.866 1.00 0.56 C ATOM 238 CD GLN A2061 -6.202 -12.068 3.959 1.00 0.67 C ATOM 239 OE1 GLN A2061 -7.393 -12.318 4.146 1.00 1.03 O ATOM 240 NE2 GLN A2061 -5.290 -13.015 3.820 1.00 1.32 N ATOM 0 H GLN A2061 -6.961 -8.266 3.496 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.275 -8.588 2.873 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.737 -10.164 2.056 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.096 -10.735 1.822 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.693 -10.586 4.259 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.329 -10.004 4.497 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -4.313 -12.764 3.666 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -5.563 -13.997 3.866 1.00 1.32 H new ATOM 249 N THR A2062 -6.101 -7.774 0.314 1.00 0.49 N ATOM 250 CA THR A2062 -6.027 -7.177 -1.013 1.00 0.55 C ATOM 251 C THR A2062 -4.940 -6.102 -1.065 1.00 0.49 C ATOM 252 O THR A2062 -4.046 -6.140 -1.912 1.00 0.48 O ATOM 253 CB THR A2062 -7.370 -6.543 -1.405 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.389 -7.550 -1.449 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.266 -5.856 -2.758 1.00 0.77 C ATOM 0 H THR A2062 -7.034 -7.764 0.726 1.00 0.49 H new ATOM 0 HA THR A2062 -5.785 -7.975 -1.715 1.00 0.55 H new ATOM 0 HB THR A2062 -7.631 -5.795 -0.656 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.586 -7.856 -0.539 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.228 -5.414 -3.016 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.508 -5.074 -2.712 1.00 0.77 H new ATOM 0 HG23 THR A2062 -6.987 -6.587 -3.517 1.00 0.77 H new ATOM 263 N LEU A2063 -5.005 -5.173 -0.123 1.00 0.50 N ATOM 264 CA LEU A2063 -4.090 -4.054 -0.065 1.00 0.53 C ATOM 265 C LEU A2063 -2.781 -4.496 0.557 1.00 0.44 C ATOM 266 O LEU A2063 -1.727 -3.918 0.321 1.00 0.47 O ATOM 267 CB LEU A2063 -4.730 -2.963 0.776 1.00 0.69 C ATOM 268 CG LEU A2063 -6.095 -2.506 0.273 1.00 0.64 C ATOM 269 CD1 LEU A2063 -6.916 -1.940 1.412 1.00 1.32 C ATOM 270 CD2 LEU A2063 -5.935 -1.483 -0.836 1.00 1.22 C ATOM 0 H LEU A2063 -5.699 -5.179 0.624 1.00 0.50 H new ATOM 0 HA LEU A2063 -3.884 -3.678 -1.067 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.834 -3.323 1.800 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -4.060 -2.104 0.807 1.00 0.69 H new ATOM 0 HG LEU A2063 -6.623 -3.369 -0.132 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -7.887 -1.619 1.036 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -7.058 -2.706 2.174 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -6.395 -1.087 1.847 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -6.918 -1.167 -1.184 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -5.389 -0.619 -0.458 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -5.383 -1.927 -1.664 1.00 1.22 H new ATOM 282 N ALA A2064 -2.878 -5.556 1.333 1.00 0.39 N ATOM 283 CA ALA A2064 -1.748 -6.152 2.007 1.00 0.38 C ATOM 284 C ALA A2064 -0.825 -6.758 0.972 1.00 0.37 C ATOM 285 O ALA A2064 0.395 -6.804 1.132 1.00 0.51 O ATOM 286 CB ALA A2064 -2.245 -7.217 2.974 1.00 0.38 C ATOM 0 H ALA A2064 -3.761 -6.034 1.515 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.201 -5.398 2.572 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.395 -7.670 3.485 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -2.909 -6.761 3.708 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.787 -7.985 2.422 1.00 0.38 H new ATOM 292 N THR A2065 -1.453 -7.219 -0.093 1.00 0.28 N ATOM 293 CA THR A2065 -0.771 -7.758 -1.244 1.00 0.28 C ATOM 294 C THR A2065 -0.386 -6.634 -2.205 1.00 0.27 C ATOM 295 O THR A2065 0.666 -6.679 -2.835 1.00 0.25 O ATOM 296 CB THR A2065 -1.691 -8.764 -1.948 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.036 -9.814 -1.033 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.038 -9.353 -3.190 1.00 0.41 C ATOM 0 H THR A2065 -2.469 -7.228 -0.180 1.00 0.28 H new ATOM 0 HA THR A2065 0.140 -8.262 -0.922 1.00 0.28 H new ATOM 0 HB THR A2065 -2.589 -8.236 -2.268 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.750 -9.506 -0.436 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.721 -10.060 -3.660 1.00 0.41 H new ATOM 0 HG22 THR A2065 -0.805 -8.553 -3.893 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.120 -9.868 -2.909 1.00 0.41 H new ATOM 306 N LEU A2066 -1.246 -5.619 -2.286 1.00 0.29 N ATOM 307 CA LEU A2066 -1.012 -4.454 -3.125 1.00 0.28 C ATOM 308 C LEU A2066 0.273 -3.769 -2.687 1.00 0.23 C ATOM 309 O LEU A2066 1.224 -3.634 -3.454 1.00 0.22 O ATOM 310 CB LEU A2066 -2.180 -3.481 -2.964 1.00 0.32 C ATOM 311 CG LEU A2066 -2.411 -2.468 -4.090 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.910 -1.158 -3.506 1.00 0.92 C ATOM 313 CD2 LEU A2066 -1.165 -2.234 -4.934 1.00 1.35 C ATOM 0 H LEU A2066 -2.125 -5.586 -1.769 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.926 -4.761 -4.167 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.092 -4.066 -2.844 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.032 -2.927 -2.037 1.00 0.32 H new ATOM 0 HG LEU A2066 -3.165 -2.886 -4.756 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -3.073 -0.440 -4.310 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.847 -1.329 -2.977 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.168 -0.763 -2.812 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -1.386 -1.508 -5.716 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.363 -1.853 -4.301 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.852 -3.174 -5.389 1.00 1.35 H new ATOM 325 N VAL A2067 0.275 -3.356 -1.433 1.00 0.21 N ATOM 326 CA VAL A2067 1.396 -2.658 -0.842 1.00 0.18 C ATOM 327 C VAL A2067 2.675 -3.473 -0.976 1.00 0.16 C ATOM 328 O VAL A2067 3.747 -2.949 -1.284 1.00 0.17 O ATOM 329 CB VAL A2067 1.118 -2.377 0.646 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.360 -1.879 1.345 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.018 -1.379 0.802 1.00 0.22 C ATOM 0 H VAL A2067 -0.507 -3.498 -0.794 1.00 0.21 H new ATOM 0 HA VAL A2067 1.526 -1.715 -1.373 1.00 0.18 H new ATOM 0 HB VAL A2067 0.819 -3.315 1.114 1.00 0.19 H new ATOM 0 HG11 VAL A2067 2.135 -1.688 2.394 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.145 -2.632 1.273 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.698 -0.956 0.873 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.198 -1.195 1.861 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.250 -0.443 0.311 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -0.922 -1.782 0.345 1.00 0.22 H new ATOM 341 N ALA A2068 2.534 -4.761 -0.753 1.00 0.15 N ATOM 342 CA ALA A2068 3.639 -5.685 -0.846 1.00 0.15 C ATOM 343 C ALA A2068 4.170 -5.767 -2.275 1.00 0.14 C ATOM 344 O ALA A2068 5.375 -5.679 -2.501 1.00 0.13 O ATOM 345 CB ALA A2068 3.178 -7.037 -0.341 1.00 0.17 C ATOM 0 H ALA A2068 1.647 -5.197 -0.501 1.00 0.15 H new ATOM 0 HA ALA A2068 4.466 -5.334 -0.229 1.00 0.15 H new ATOM 0 HB1 ALA A2068 4.001 -7.749 -0.404 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.854 -6.947 0.696 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.346 -7.389 -0.951 1.00 0.17 H new ATOM 351 N ALA A2069 3.264 -5.918 -3.236 1.00 0.17 N ATOM 352 CA ALA A2069 3.622 -5.942 -4.650 1.00 0.18 C ATOM 353 C ALA A2069 4.277 -4.636 -5.068 1.00 0.19 C ATOM 354 O ALA A2069 5.141 -4.609 -5.950 1.00 0.21 O ATOM 355 CB ALA A2069 2.388 -6.195 -5.502 1.00 0.23 C ATOM 0 H ALA A2069 2.266 -6.027 -3.058 1.00 0.17 H new ATOM 0 HA ALA A2069 4.336 -6.751 -4.803 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.670 -6.210 -6.555 1.00 0.23 H new ATOM 0 HB2 ALA A2069 1.948 -7.155 -5.230 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.660 -5.402 -5.333 1.00 0.23 H new ATOM 361 N ALA A2070 3.862 -3.555 -4.420 1.00 0.19 N ATOM 362 CA ALA A2070 4.390 -2.239 -4.703 1.00 0.21 C ATOM 363 C ALA A2070 5.872 -2.186 -4.388 1.00 0.20 C ATOM 364 O ALA A2070 6.672 -1.727 -5.204 1.00 0.23 O ATOM 365 CB ALA A2070 3.638 -1.185 -3.909 1.00 0.24 C ATOM 0 H ALA A2070 3.153 -3.572 -3.687 1.00 0.19 H new ATOM 0 HA ALA A2070 4.256 -2.031 -5.765 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.047 -0.200 -4.133 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.583 -1.210 -4.180 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.744 -1.388 -2.843 1.00 0.24 H new ATOM 371 N THR A2071 6.253 -2.685 -3.218 1.00 0.18 N ATOM 372 CA THR A2071 7.642 -2.594 -2.812 1.00 0.21 C ATOM 373 C THR A2071 8.432 -3.776 -3.343 1.00 0.21 C ATOM 374 O THR A2071 9.631 -3.683 -3.562 1.00 0.27 O ATOM 375 CB THR A2071 7.797 -2.424 -1.294 1.00 0.22 C ATOM 376 OG1 THR A2071 9.156 -2.161 -0.955 1.00 0.28 O ATOM 377 CG2 THR A2071 7.319 -3.639 -0.542 1.00 0.23 C ATOM 0 H THR A2071 5.634 -3.145 -2.551 1.00 0.18 H new ATOM 0 HA THR A2071 8.058 -1.690 -3.256 1.00 0.21 H new ATOM 0 HB THR A2071 7.177 -1.576 -1.003 1.00 0.22 H new ATOM 0 HG1 THR A2071 9.236 -2.054 0.016 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.446 -3.478 0.528 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.265 -3.811 -0.761 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.900 -4.509 -0.849 1.00 0.23 H new ATOM 385 N ALA A2072 7.743 -4.870 -3.596 1.00 0.18 N ATOM 386 CA ALA A2072 8.314 -5.967 -4.355 1.00 0.22 C ATOM 387 C ALA A2072 8.912 -5.427 -5.646 1.00 0.26 C ATOM 388 O ALA A2072 10.041 -5.753 -6.014 1.00 0.31 O ATOM 389 CB ALA A2072 7.225 -6.977 -4.650 1.00 0.22 C ATOM 0 H ALA A2072 6.783 -5.025 -3.286 1.00 0.18 H new ATOM 0 HA ALA A2072 9.104 -6.454 -3.784 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.643 -7.806 -5.220 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.813 -7.352 -3.713 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.434 -6.500 -5.229 1.00 0.22 H new ATOM 395 N THR A2073 8.153 -4.568 -6.304 1.00 0.27 N ATOM 396 CA THR A2073 8.603 -3.901 -7.506 1.00 0.34 C ATOM 397 C THR A2073 9.667 -2.851 -7.179 1.00 0.37 C ATOM 398 O THR A2073 10.731 -2.815 -7.796 1.00 0.43 O ATOM 399 CB THR A2073 7.412 -3.226 -8.205 1.00 0.38 C ATOM 400 OG1 THR A2073 6.401 -4.203 -8.487 1.00 0.40 O ATOM 401 CG2 THR A2073 7.852 -2.549 -9.489 1.00 0.46 C ATOM 0 H THR A2073 7.207 -4.315 -6.017 1.00 0.27 H new ATOM 0 HA THR A2073 9.042 -4.647 -8.169 1.00 0.34 H new ATOM 0 HB THR A2073 7.005 -2.464 -7.540 1.00 0.38 H new ATOM 0 HG1 THR A2073 5.909 -4.411 -7.665 1.00 0.40 H new ATOM 0 HG21 THR A2073 6.992 -2.079 -9.965 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.601 -1.790 -9.262 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.280 -3.291 -10.163 1.00 0.46 H new ATOM 409 N VAL A2074 9.367 -2.017 -6.190 1.00 0.36 N ATOM 410 CA VAL A2074 10.208 -0.909 -5.803 1.00 0.41 C ATOM 411 C VAL A2074 11.625 -1.341 -5.370 1.00 0.47 C ATOM 412 O VAL A2074 12.607 -0.691 -5.735 1.00 0.56 O ATOM 413 CB VAL A2074 9.477 -0.135 -4.691 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.279 -0.030 -3.409 1.00 0.38 C ATOM 415 CG2 VAL A2074 9.035 1.222 -5.183 1.00 0.37 C ATOM 0 H VAL A2074 8.518 -2.100 -5.631 1.00 0.36 H new ATOM 0 HA VAL A2074 10.372 -0.267 -6.669 1.00 0.41 H new ATOM 0 HB VAL A2074 8.590 -0.716 -4.438 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.707 0.527 -2.667 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.490 -1.030 -3.029 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.217 0.488 -3.608 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.521 1.750 -4.380 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.906 1.797 -5.496 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.358 1.100 -6.029 1.00 0.37 H new ATOM 425 N LEU A2075 11.737 -2.427 -4.600 1.00 0.43 N ATOM 426 CA LEU A2075 13.039 -2.899 -4.144 1.00 0.52 C ATOM 427 C LEU A2075 13.739 -3.671 -5.254 1.00 0.60 C ATOM 428 O LEU A2075 14.965 -3.775 -5.283 1.00 0.74 O ATOM 429 CB LEU A2075 12.890 -3.796 -2.913 1.00 0.49 C ATOM 430 CG LEU A2075 11.837 -3.343 -1.899 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.566 -4.433 -0.880 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.251 -2.058 -1.200 1.00 0.52 C ATOM 0 H LEU A2075 10.947 -2.989 -4.284 1.00 0.43 H new ATOM 0 HA LEU A2075 13.639 -2.029 -3.876 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.641 -4.804 -3.246 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.854 -3.856 -2.409 1.00 0.49 H new ATOM 0 HG LEU A2075 10.918 -3.144 -2.450 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.814 -4.088 -0.170 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.202 -5.325 -1.390 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.487 -4.670 -0.347 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.479 -1.767 -0.487 1.00 0.52 H new ATOM 0 HD22 LEU A2075 13.191 -2.218 -0.672 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.380 -1.267 -1.939 1.00 0.52 H new ATOM 444 N GLY A2076 12.940 -4.206 -6.169 1.00 0.57 N ATOM 445 CA GLY A2076 13.480 -4.949 -7.286 1.00 0.67 C ATOM 446 C GLY A2076 13.522 -6.441 -7.029 1.00 0.65 C ATOM 447 O GLY A2076 14.559 -7.075 -7.212 1.00 0.93 O ATOM 0 H GLY A2076 11.922 -4.137 -6.155 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.877 -4.754 -8.173 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.487 -4.593 -7.501 1.00 0.67 H new ATOM 451 N HIS A2077 12.399 -7.013 -6.607 1.00 0.51 N ATOM 452 CA HIS A2077 12.345 -8.449 -6.357 1.00 0.66 C ATOM 453 C HIS A2077 10.997 -9.049 -6.769 1.00 0.68 C ATOM 454 O HIS A2077 10.800 -10.258 -6.674 1.00 0.97 O ATOM 455 CB HIS A2077 12.680 -8.756 -4.890 1.00 0.81 C ATOM 456 CG HIS A2077 11.623 -8.449 -3.888 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.890 -9.422 -3.255 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.256 -7.280 -3.331 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.123 -8.863 -2.348 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.325 -7.558 -2.369 1.00 0.80 N ATOM 0 H HIS A2077 11.527 -6.514 -6.433 1.00 0.51 H new ATOM 0 HA HIS A2077 13.102 -8.925 -6.981 1.00 0.66 H new ATOM 0 HB2 HIS A2077 12.927 -9.815 -4.811 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.577 -8.198 -4.621 1.00 0.81 H new ATOM 0 HD1 HIS A2077 10.934 -10.421 -3.457 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.629 -6.301 -3.596 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.440 -9.384 -1.693 1.00 0.61 H new ATOM 469 N HIS A2078 10.085 -8.182 -7.214 1.00 0.62 N ATOM 470 CA HIS A2078 8.805 -8.570 -7.832 1.00 0.69 C ATOM 471 C HIS A2078 7.815 -9.270 -6.895 1.00 0.80 C ATOM 472 O HIS A2078 6.628 -8.949 -6.922 1.00 1.56 O ATOM 473 CB HIS A2078 9.026 -9.416 -9.088 1.00 0.81 C ATOM 474 CG HIS A2078 9.249 -8.592 -10.318 1.00 0.88 C ATOM 475 ND1 HIS A2078 8.248 -7.854 -10.917 1.00 0.93 N ATOM 476 CD2 HIS A2078 10.366 -8.365 -11.044 1.00 0.96 C ATOM 477 CE1 HIS A2078 8.744 -7.210 -11.956 1.00 1.03 C ATOM 478 NE2 HIS A2078 10.025 -7.501 -12.053 1.00 1.05 N ATOM 0 H HIS A2078 10.213 -7.172 -7.156 1.00 0.62 H new ATOM 0 HA HIS A2078 8.339 -7.622 -8.099 1.00 0.69 H new ATOM 0 HB2 HIS A2078 9.886 -10.068 -8.933 1.00 0.81 H new ATOM 0 HB3 HIS A2078 8.161 -10.061 -9.242 1.00 0.81 H new ATOM 0 HD2 HIS A2078 11.344 -8.785 -10.863 1.00 0.96 H new ATOM 0 HE1 HIS A2078 8.193 -6.555 -12.615 1.00 1.03 H new ATOM 0 HE2 HIS A2078 10.661 -7.141 -12.764 1.00 1.05 H new ATOM 487 N THR A2079 8.269 -10.209 -6.076 1.00 0.64 N ATOM 488 CA THR A2079 7.348 -10.985 -5.258 1.00 0.67 C ATOM 489 C THR A2079 6.760 -10.200 -4.087 1.00 0.44 C ATOM 490 O THR A2079 7.484 -9.691 -3.237 1.00 0.54 O ATOM 491 CB THR A2079 7.984 -12.228 -4.672 1.00 1.02 C ATOM 492 OG1 THR A2079 9.281 -11.923 -4.142 1.00 1.82 O ATOM 493 CG2 THR A2079 8.078 -13.342 -5.685 1.00 0.59 C ATOM 0 H THR A2079 9.254 -10.449 -5.961 1.00 0.64 H new ATOM 0 HA THR A2079 6.557 -11.253 -5.959 1.00 0.67 H new ATOM 0 HB THR A2079 7.342 -12.575 -3.863 1.00 1.02 H new ATOM 0 HG1 THR A2079 9.744 -12.755 -3.911 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.540 -14.215 -5.224 1.00 0.59 H new ATOM 0 HG22 THR A2079 7.079 -13.602 -6.034 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.683 -13.015 -6.530 1.00 0.59 H new ATOM 501 N PRO A2080 5.430 -10.127 -4.015 1.00 0.29 N ATOM 502 CA PRO A2080 4.706 -9.514 -2.906 1.00 0.32 C ATOM 503 C PRO A2080 4.527 -10.506 -1.764 1.00 0.45 C ATOM 504 O PRO A2080 4.165 -10.146 -0.645 1.00 0.51 O ATOM 505 CB PRO A2080 3.344 -9.165 -3.534 1.00 0.39 C ATOM 506 CG PRO A2080 3.489 -9.498 -4.985 1.00 0.39 C ATOM 507 CD PRO A2080 4.504 -10.596 -5.026 1.00 0.32 C ATOM 0 HA PRO A2080 5.222 -8.653 -2.480 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.539 -9.740 -3.076 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.103 -8.111 -3.393 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.540 -9.820 -5.413 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.820 -8.632 -5.558 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.076 -11.568 -4.779 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.972 -10.693 -6.006 1.00 0.32 H new ATOM 515 N GLU A2081 4.782 -11.768 -2.073 1.00 0.53 N ATOM 516 CA GLU A2081 4.711 -12.837 -1.093 1.00 0.64 C ATOM 517 C GLU A2081 5.996 -12.899 -0.277 1.00 0.56 C ATOM 518 O GLU A2081 6.026 -13.469 0.811 1.00 0.70 O ATOM 519 CB GLU A2081 4.447 -14.172 -1.792 1.00 0.84 C ATOM 520 CG GLU A2081 5.321 -14.405 -3.016 1.00 0.93 C ATOM 521 CD GLU A2081 5.044 -15.734 -3.683 1.00 1.28 C ATOM 522 OE1 GLU A2081 3.969 -15.882 -4.295 1.00 1.54 O ATOM 523 OE2 GLU A2081 5.902 -16.634 -3.598 1.00 1.45 O ATOM 0 H GLU A2081 5.043 -12.078 -3.009 1.00 0.53 H new ATOM 0 HA GLU A2081 3.886 -12.634 -0.410 1.00 0.64 H new ATOM 0 HB2 GLU A2081 4.609 -14.982 -1.081 1.00 0.84 H new ATOM 0 HB3 GLU A2081 3.400 -14.215 -2.091 1.00 0.84 H new ATOM 0 HG2 GLU A2081 5.157 -13.601 -3.734 1.00 0.93 H new ATOM 0 HG3 GLU A2081 6.370 -14.361 -2.723 1.00 0.93 H new ATOM 530 N SER A2082 7.047 -12.282 -0.803 1.00 0.43 N ATOM 531 CA SER A2082 8.330 -12.230 -0.113 1.00 0.43 C ATOM 532 C SER A2082 8.420 -10.957 0.734 1.00 0.33 C ATOM 533 O SER A2082 9.497 -10.538 1.155 1.00 0.38 O ATOM 534 CB SER A2082 9.456 -12.289 -1.145 1.00 0.54 C ATOM 535 OG SER A2082 10.737 -12.364 -0.544 1.00 0.63 O ATOM 0 H SER A2082 7.036 -11.810 -1.707 1.00 0.43 H new ATOM 0 HA SER A2082 8.426 -13.083 0.558 1.00 0.43 H new ATOM 0 HB2 SER A2082 9.309 -13.155 -1.790 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.408 -11.406 -1.782 1.00 0.54 H new ATOM 0 HG SER A2082 10.772 -11.762 0.228 1.00 0.63 H new ATOM 541 N ILE A2083 7.270 -10.352 0.986 1.00 0.25 N ATOM 542 CA ILE A2083 7.202 -9.100 1.727 1.00 0.17 C ATOM 543 C ILE A2083 6.753 -9.349 3.159 1.00 0.15 C ATOM 544 O ILE A2083 5.703 -9.948 3.392 1.00 0.22 O ATOM 545 CB ILE A2083 6.220 -8.123 1.051 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.557 -7.997 -0.432 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.258 -6.751 1.724 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.795 -7.190 -0.705 1.00 0.22 C ATOM 0 H ILE A2083 6.363 -10.710 0.686 1.00 0.25 H new ATOM 0 HA ILE A2083 8.200 -8.661 1.734 1.00 0.17 H new ATOM 0 HB ILE A2083 5.210 -8.519 1.157 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.685 -8.995 -0.852 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.714 -7.539 -0.949 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.556 -6.082 1.227 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.981 -6.853 2.773 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.264 -6.338 1.653 1.00 0.12 H new ATOM 0 HD11 ILE A2083 7.970 -7.145 -1.780 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.664 -6.180 -0.316 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.650 -7.659 -0.218 1.00 0.22 H new ATOM 560 N SER A2084 7.553 -8.896 4.112 1.00 0.14 N ATOM 561 CA SER A2084 7.222 -9.042 5.520 1.00 0.14 C ATOM 562 C SER A2084 6.434 -7.827 6.009 1.00 0.12 C ATOM 563 O SER A2084 6.988 -6.736 6.133 1.00 0.12 O ATOM 564 CB SER A2084 8.504 -9.202 6.335 1.00 0.19 C ATOM 565 OG SER A2084 9.330 -10.215 5.783 1.00 0.28 O ATOM 0 H SER A2084 8.439 -8.423 3.934 1.00 0.14 H new ATOM 0 HA SER A2084 6.603 -9.930 5.649 1.00 0.14 H new ATOM 0 HB2 SER A2084 9.046 -8.257 6.357 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.256 -9.451 7.367 1.00 0.19 H new ATOM 0 HG SER A2084 10.146 -10.300 6.319 1.00 0.28 H new ATOM 571 N PRO A2085 5.128 -8.000 6.289 1.00 0.12 N ATOM 572 CA PRO A2085 4.259 -6.902 6.725 1.00 0.12 C ATOM 573 C PRO A2085 4.648 -6.357 8.079 1.00 0.12 C ATOM 574 O PRO A2085 4.380 -5.196 8.394 1.00 0.13 O ATOM 575 CB PRO A2085 2.870 -7.527 6.814 1.00 0.15 C ATOM 576 CG PRO A2085 3.100 -8.998 6.897 1.00 0.15 C ATOM 577 CD PRO A2085 4.401 -9.273 6.196 1.00 0.14 C ATOM 0 HA PRO A2085 4.323 -6.062 6.033 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.332 -7.164 7.689 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.268 -7.272 5.941 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.144 -9.325 7.936 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.283 -9.544 6.425 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.950 -10.083 6.676 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.242 -9.567 5.159 1.00 0.14 H new ATOM 585 N ALA A2086 5.262 -7.206 8.878 1.00 0.11 N ATOM 586 CA ALA A2086 5.646 -6.825 10.221 1.00 0.12 C ATOM 587 C ALA A2086 6.914 -5.985 10.217 1.00 0.11 C ATOM 588 O ALA A2086 7.100 -5.129 11.082 1.00 0.14 O ATOM 589 CB ALA A2086 5.832 -8.060 11.079 1.00 0.14 C ATOM 0 H ALA A2086 5.505 -8.163 8.621 1.00 0.11 H new ATOM 0 HA ALA A2086 4.846 -6.216 10.642 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.121 -7.763 12.087 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.897 -8.619 11.119 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.612 -8.688 10.649 1.00 0.14 H new ATOM 595 N THR A2087 7.783 -6.226 9.246 1.00 0.10 N ATOM 596 CA THR A2087 8.982 -5.432 9.099 1.00 0.11 C ATOM 597 C THR A2087 8.627 -4.087 8.517 1.00 0.10 C ATOM 598 O THR A2087 7.710 -3.960 7.707 1.00 0.10 O ATOM 599 CB THR A2087 10.009 -6.093 8.171 1.00 0.14 C ATOM 600 OG1 THR A2087 10.283 -7.431 8.605 1.00 0.16 O ATOM 601 CG2 THR A2087 11.307 -5.285 8.107 1.00 0.16 C ATOM 0 H THR A2087 7.675 -6.965 8.552 1.00 0.10 H new ATOM 0 HA THR A2087 9.423 -5.334 10.091 1.00 0.11 H new ATOM 0 HB THR A2087 9.581 -6.122 7.169 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.938 -7.842 8.004 1.00 0.16 H new ATOM 0 HG21 THR A2087 12.012 -5.782 7.441 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.095 -4.285 7.730 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.740 -5.212 9.105 1.00 0.16 H new ATOM 609 N ALA A2088 9.366 -3.096 8.926 1.00 0.12 N ATOM 610 CA ALA A2088 9.170 -1.757 8.433 1.00 0.12 C ATOM 611 C ALA A2088 9.841 -1.614 7.090 1.00 0.11 C ATOM 612 O ALA A2088 10.915 -2.168 6.861 1.00 0.12 O ATOM 613 CB ALA A2088 9.710 -0.739 9.416 1.00 0.15 C ATOM 0 H ALA A2088 10.119 -3.189 9.608 1.00 0.12 H new ATOM 0 HA ALA A2088 8.102 -1.572 8.318 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.551 0.265 9.023 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.191 -0.842 10.369 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.777 -0.906 9.564 1.00 0.15 H new ATOM 619 N PHE A2089 9.183 -0.885 6.204 1.00 0.10 N ATOM 620 CA PHE A2089 9.692 -0.638 4.857 1.00 0.09 C ATOM 621 C PHE A2089 11.151 -0.237 4.858 1.00 0.09 C ATOM 622 O PHE A2089 11.901 -0.617 3.961 1.00 0.12 O ATOM 623 CB PHE A2089 8.888 0.459 4.191 1.00 0.09 C ATOM 624 CG PHE A2089 7.575 -0.008 3.662 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.517 -0.907 2.618 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.395 0.458 4.213 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.304 -1.334 2.131 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.181 0.033 3.728 1.00 0.12 C ATOM 629 CZ PHE A2089 5.149 -0.883 2.676 1.00 0.10 C ATOM 0 H PHE A2089 8.282 -0.446 6.394 1.00 0.10 H new ATOM 0 HA PHE A2089 9.595 -1.574 4.306 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.718 1.261 4.909 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.471 0.882 3.373 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.431 -1.279 2.179 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.428 1.162 5.031 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.272 -2.033 1.309 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.262 0.404 4.157 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.201 -1.233 2.295 1.00 0.10 H new ATOM 639 N LYS A2090 11.536 0.550 5.849 1.00 0.12 N ATOM 640 CA LYS A2090 12.916 0.936 6.023 1.00 0.16 C ATOM 641 C LYS A2090 13.821 -0.281 5.969 1.00 0.17 C ATOM 642 O LYS A2090 14.644 -0.426 5.064 1.00 0.20 O ATOM 643 CB LYS A2090 13.102 1.619 7.369 1.00 0.21 C ATOM 644 CG LYS A2090 14.545 1.960 7.656 1.00 0.29 C ATOM 645 CD LYS A2090 15.056 2.941 6.637 1.00 0.38 C ATOM 646 CE LYS A2090 16.017 2.294 5.666 1.00 1.54 C ATOM 647 NZ LYS A2090 16.403 3.216 4.566 1.00 1.69 N ATOM 0 H LYS A2090 10.901 0.934 6.549 1.00 0.12 H new ATOM 0 HA LYS A2090 13.178 1.622 5.217 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.506 2.531 7.394 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.723 0.968 8.157 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.635 2.383 8.657 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.152 1.055 7.637 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.215 3.365 6.088 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.554 3.767 7.145 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.911 1.973 6.201 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.559 1.399 5.245 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.344 2.955 4.208 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.708 3.147 3.795 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 16.428 4.192 4.924 1.00 1.69 H new ATOM 661 N ASP A2091 13.643 -1.149 6.949 1.00 0.17 N ATOM 662 CA ASP A2091 14.433 -2.364 7.066 1.00 0.20 C ATOM 663 C ASP A2091 14.313 -3.226 5.811 1.00 0.20 C ATOM 664 O ASP A2091 15.246 -3.938 5.438 1.00 0.32 O ATOM 665 CB ASP A2091 13.990 -3.171 8.287 1.00 0.24 C ATOM 666 CG ASP A2091 14.276 -2.465 9.595 1.00 1.23 C ATOM 667 OD1 ASP A2091 13.816 -1.317 9.765 1.00 2.27 O ATOM 668 OD2 ASP A2091 14.957 -3.052 10.462 1.00 1.15 O ATOM 0 H ASP A2091 12.948 -1.033 7.686 1.00 0.17 H new ATOM 0 HA ASP A2091 15.476 -2.071 7.185 1.00 0.20 H new ATOM 0 HB2 ASP A2091 12.921 -3.372 8.215 1.00 0.24 H new ATOM 0 HB3 ASP A2091 14.497 -4.136 8.282 1.00 0.24 H new ATOM 673 N LEU A2092 13.156 -3.146 5.166 1.00 0.16 N ATOM 674 CA LEU A2092 12.881 -3.904 3.953 1.00 0.18 C ATOM 675 C LEU A2092 13.671 -3.385 2.755 1.00 0.19 C ATOM 676 O LEU A2092 13.773 -4.063 1.735 1.00 0.24 O ATOM 677 CB LEU A2092 11.382 -3.867 3.666 1.00 0.17 C ATOM 678 CG LEU A2092 10.541 -4.594 4.710 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.066 -4.296 4.553 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.788 -6.083 4.621 1.00 0.23 C ATOM 0 H LEU A2092 12.383 -2.554 5.469 1.00 0.16 H new ATOM 0 HA LEU A2092 13.201 -4.933 4.116 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.057 -2.828 3.610 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.197 -4.312 2.689 1.00 0.17 H new ATOM 0 HG LEU A2092 10.843 -4.233 5.693 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.503 -4.833 5.316 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.897 -3.225 4.665 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.734 -4.615 3.565 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.185 -6.597 5.369 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.515 -6.438 3.627 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.843 -6.288 4.802 1.00 0.23 H new ATOM 692 N GLY A2093 14.231 -2.189 2.874 1.00 0.16 N ATOM 693 CA GLY A2093 15.084 -1.675 1.822 1.00 0.18 C ATOM 694 C GLY A2093 14.556 -0.409 1.183 1.00 0.15 C ATOM 695 O GLY A2093 15.137 0.087 0.215 1.00 0.20 O ATOM 0 H GLY A2093 14.111 -1.569 3.675 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.075 -1.480 2.231 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.201 -2.439 1.054 1.00 0.18 H new ATOM 699 N ILE A2094 13.459 0.117 1.708 1.00 0.13 N ATOM 700 CA ILE A2094 12.870 1.328 1.175 1.00 0.12 C ATOM 701 C ILE A2094 13.735 2.558 1.429 1.00 0.12 C ATOM 702 O ILE A2094 14.239 2.771 2.537 1.00 0.16 O ATOM 703 CB ILE A2094 11.460 1.529 1.761 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.481 0.623 1.022 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.028 2.986 1.699 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.134 1.113 -0.361 1.00 0.32 C ATOM 0 H ILE A2094 12.961 -0.280 2.505 1.00 0.13 H new ATOM 0 HA ILE A2094 12.801 1.209 0.094 1.00 0.12 H new ATOM 0 HB ILE A2094 11.472 1.257 2.816 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.909 -0.377 0.948 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.566 0.536 1.608 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.028 3.087 2.122 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.727 3.597 2.270 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.019 3.319 0.661 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.434 0.420 -0.827 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.677 2.100 -0.293 1.00 0.32 H new ATOM 0 HD13 ILE A2094 11.040 1.174 -0.964 1.00 0.32 H new ATOM 718 N ASP A2095 13.916 3.347 0.378 1.00 0.15 N ATOM 719 CA ASP A2095 14.595 4.630 0.473 1.00 0.19 C ATOM 720 C ASP A2095 13.572 5.745 0.263 1.00 0.16 C ATOM 721 O ASP A2095 12.456 5.460 -0.158 1.00 0.17 O ATOM 722 CB ASP A2095 15.718 4.715 -0.568 1.00 0.28 C ATOM 723 CG ASP A2095 16.468 6.030 -0.527 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.293 6.223 0.390 1.00 1.23 O ATOM 725 OD2 ASP A2095 16.239 6.879 -1.415 1.00 1.86 O ATOM 0 H ASP A2095 13.596 3.115 -0.562 1.00 0.15 H new ATOM 0 HA ASP A2095 15.047 4.738 1.459 1.00 0.19 H new ATOM 0 HB2 ASP A2095 16.420 3.898 -0.404 1.00 0.28 H new ATOM 0 HB3 ASP A2095 15.294 4.576 -1.563 1.00 0.28 H new ATOM 730 N SER A2096 13.931 6.990 0.548 1.00 0.19 N ATOM 731 CA SER A2096 12.994 8.109 0.426 1.00 0.20 C ATOM 732 C SER A2096 12.329 8.152 -0.958 1.00 0.17 C ATOM 733 O SER A2096 11.133 8.429 -1.072 1.00 0.20 O ATOM 734 CB SER A2096 13.730 9.417 0.692 1.00 0.26 C ATOM 735 OG SER A2096 14.479 9.335 1.893 1.00 1.32 O ATOM 0 H SER A2096 14.863 7.255 0.866 1.00 0.19 H new ATOM 0 HA SER A2096 12.203 7.969 1.163 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.394 9.642 -0.142 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.014 10.236 0.759 1.00 0.26 H new ATOM 0 HG SER A2096 14.946 10.183 2.046 1.00 1.32 H new ATOM 741 N LEU A2097 13.108 7.859 -1.996 1.00 0.17 N ATOM 742 CA LEU A2097 12.633 7.836 -3.354 1.00 0.19 C ATOM 743 C LEU A2097 11.585 6.766 -3.541 1.00 0.18 C ATOM 744 O LEU A2097 10.478 7.036 -3.990 1.00 0.24 O ATOM 745 CB LEU A2097 13.831 7.534 -4.223 1.00 0.23 C ATOM 746 CG LEU A2097 13.733 7.959 -5.664 1.00 1.07 C ATOM 747 CD1 LEU A2097 13.367 9.429 -5.748 1.00 1.61 C ATOM 748 CD2 LEU A2097 15.061 7.694 -6.330 1.00 1.55 C ATOM 0 H LEU A2097 14.098 7.630 -1.904 1.00 0.17 H new ATOM 0 HA LEU A2097 12.175 8.790 -3.615 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.704 8.016 -3.783 1.00 0.23 H new ATOM 0 HB3 LEU A2097 14.012 6.460 -4.195 1.00 0.23 H new ATOM 0 HG LEU A2097 12.953 7.393 -6.174 1.00 1.07 H new ATOM 0 HD11 LEU A2097 13.298 9.728 -6.794 1.00 1.61 H new ATOM 0 HD12 LEU A2097 12.406 9.593 -5.260 1.00 1.61 H new ATOM 0 HD13 LEU A2097 14.133 10.024 -5.250 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.010 7.996 -7.376 1.00 1.55 H new ATOM 0 HD22 LEU A2097 15.841 8.264 -5.826 1.00 1.55 H new ATOM 0 HD23 LEU A2097 15.292 6.631 -6.270 1.00 1.55 H new ATOM 760 N THR A2098 11.938 5.551 -3.198 1.00 0.14 N ATOM 761 CA THR A2098 11.025 4.448 -3.356 1.00 0.15 C ATOM 762 C THR A2098 9.858 4.504 -2.386 1.00 0.16 C ATOM 763 O THR A2098 8.786 3.968 -2.670 1.00 0.17 O ATOM 764 CB THR A2098 11.732 3.103 -3.276 1.00 0.15 C ATOM 765 OG1 THR A2098 12.900 3.203 -2.445 1.00 0.17 O ATOM 766 CG2 THR A2098 12.104 2.665 -4.677 1.00 0.19 C ATOM 0 H THR A2098 12.848 5.303 -2.809 1.00 0.14 H new ATOM 0 HA THR A2098 10.612 4.550 -4.359 1.00 0.15 H new ATOM 0 HB THR A2098 11.069 2.361 -2.830 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.254 2.306 -2.269 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.612 1.702 -4.634 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.201 2.573 -5.281 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.767 3.405 -5.126 1.00 0.19 H new ATOM 774 N ALA A2099 10.058 5.151 -1.248 1.00 0.16 N ATOM 775 CA ALA A2099 8.958 5.446 -0.344 1.00 0.18 C ATOM 776 C ALA A2099 7.928 6.305 -1.067 1.00 0.21 C ATOM 777 O ALA A2099 6.739 6.304 -0.745 1.00 0.24 O ATOM 778 CB ALA A2099 9.466 6.164 0.896 1.00 0.18 C ATOM 0 H ALA A2099 10.969 5.481 -0.930 1.00 0.16 H new ATOM 0 HA ALA A2099 8.493 4.512 -0.029 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.629 6.377 1.561 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.188 5.532 1.412 1.00 0.18 H new ATOM 0 HB3 ALA A2099 9.945 7.099 0.605 1.00 0.18 H new ATOM 784 N LEU A2100 8.404 7.010 -2.074 1.00 0.20 N ATOM 785 CA LEU A2100 7.576 7.882 -2.867 1.00 0.24 C ATOM 786 C LEU A2100 7.000 7.094 -4.042 1.00 0.20 C ATOM 787 O LEU A2100 5.841 7.270 -4.414 1.00 0.21 O ATOM 788 CB LEU A2100 8.427 9.081 -3.320 1.00 0.30 C ATOM 789 CG LEU A2100 8.337 9.455 -4.794 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.024 10.159 -5.082 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.513 10.317 -5.203 1.00 1.15 C ATOM 0 H LEU A2100 9.382 6.990 -2.363 1.00 0.20 H new ATOM 0 HA LEU A2100 6.734 8.266 -2.291 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.137 9.949 -2.729 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.470 8.869 -3.084 1.00 0.30 H new ATOM 0 HG LEU A2100 8.371 8.539 -5.384 1.00 0.24 H new ATOM 0 HD11 LEU A2100 6.975 10.420 -6.139 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.194 9.498 -4.833 1.00 1.03 H new ATOM 0 HD13 LEU A2100 6.958 11.066 -4.481 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.427 10.572 -6.259 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.518 11.231 -4.609 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.441 9.770 -5.036 1.00 1.15 H new ATOM 803 N GLU A2101 7.810 6.192 -4.593 1.00 0.21 N ATOM 804 CA GLU A2101 7.386 5.347 -5.704 1.00 0.20 C ATOM 805 C GLU A2101 6.275 4.397 -5.271 1.00 0.17 C ATOM 806 O GLU A2101 5.351 4.119 -6.039 1.00 0.17 O ATOM 807 CB GLU A2101 8.574 4.561 -6.240 1.00 0.23 C ATOM 808 CG GLU A2101 9.746 5.448 -6.599 1.00 0.28 C ATOM 809 CD GLU A2101 10.813 4.729 -7.400 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.006 4.854 -7.061 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.461 4.035 -8.379 1.00 0.45 O ATOM 0 H GLU A2101 8.768 6.028 -4.285 1.00 0.21 H new ATOM 0 HA GLU A2101 6.995 5.987 -6.495 1.00 0.20 H new ATOM 0 HB2 GLU A2101 8.890 3.833 -5.493 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.265 3.999 -7.122 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.385 6.303 -7.171 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.190 5.841 -5.684 1.00 0.28 H new ATOM 818 N LEU A2102 6.373 3.892 -4.044 1.00 0.16 N ATOM 819 CA LEU A2102 5.297 3.119 -3.453 1.00 0.16 C ATOM 820 C LEU A2102 4.023 3.912 -3.472 1.00 0.16 C ATOM 821 O LEU A2102 3.023 3.496 -4.043 1.00 0.21 O ATOM 822 CB LEU A2102 5.613 2.781 -2.010 1.00 0.22 C ATOM 823 CG LEU A2102 6.705 1.757 -1.810 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.608 1.181 -0.423 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.601 0.671 -2.851 1.00 1.13 C ATOM 0 H LEU A2102 7.189 4.007 -3.443 1.00 0.16 H new ATOM 0 HA LEU A2102 5.186 2.204 -4.034 1.00 0.16 H new ATOM 0 HB2 LEU A2102 5.898 3.698 -1.494 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.704 2.416 -1.532 1.00 0.22 H new ATOM 0 HG LEU A2102 7.676 2.239 -1.922 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.397 0.442 -0.280 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.721 1.979 0.311 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.636 0.704 -0.294 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.394 -0.060 -2.695 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.632 0.179 -2.768 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.701 1.108 -3.844 1.00 1.13 H new ATOM 837 N ARG A2103 4.092 5.059 -2.830 1.00 0.18 N ATOM 838 CA ARG A2103 3.001 6.004 -2.799 1.00 0.25 C ATOM 839 C ARG A2103 2.447 6.242 -4.202 1.00 0.22 C ATOM 840 O ARG A2103 1.235 6.260 -4.401 1.00 0.24 O ATOM 841 CB ARG A2103 3.502 7.309 -2.178 1.00 0.37 C ATOM 842 CG ARG A2103 2.571 8.489 -2.353 1.00 0.72 C ATOM 843 CD ARG A2103 2.966 9.351 -3.547 1.00 0.65 C ATOM 844 NE ARG A2103 2.152 10.559 -3.640 1.00 1.21 N ATOM 845 CZ ARG A2103 2.245 11.458 -4.615 1.00 1.49 C ATOM 846 NH1 ARG A2103 3.078 11.271 -5.629 1.00 1.92 N ATOM 847 NH2 ARG A2103 1.487 12.544 -4.580 1.00 2.11 N ATOM 0 H ARG A2103 4.916 5.362 -2.311 1.00 0.18 H new ATOM 0 HA ARG A2103 2.187 5.603 -2.195 1.00 0.25 H new ATOM 0 HB2 ARG A2103 3.668 7.149 -1.113 1.00 0.37 H new ATOM 0 HB3 ARG A2103 4.468 7.557 -2.617 1.00 0.37 H new ATOM 0 HG2 ARG A2103 1.550 8.130 -2.486 1.00 0.72 H new ATOM 0 HG3 ARG A2103 2.580 9.096 -1.448 1.00 0.72 H new ATOM 0 HD2 ARG A2103 4.017 9.627 -3.463 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.861 8.771 -4.464 1.00 0.65 H new ATOM 0 HE ARG A2103 1.464 10.725 -2.906 1.00 1.21 H new ATOM 0 HH11 ARG A2103 3.655 10.431 -5.666 1.00 1.92 H new ATOM 0 HH12 ARG A2103 3.142 11.967 -6.372 1.00 1.92 H new ATOM 0 HH21 ARG A2103 0.836 12.687 -3.808 1.00 2.11 H new ATOM 0 HH22 ARG A2103 1.554 13.237 -5.325 1.00 2.11 H new ATOM 861 N ASN A2104 3.347 6.399 -5.162 1.00 0.21 N ATOM 862 CA ASN A2104 2.983 6.603 -6.554 1.00 0.22 C ATOM 863 C ASN A2104 2.149 5.440 -7.087 1.00 0.23 C ATOM 864 O ASN A2104 1.140 5.647 -7.762 1.00 0.29 O ATOM 865 CB ASN A2104 4.252 6.772 -7.390 1.00 0.23 C ATOM 866 CG ASN A2104 4.852 8.157 -7.264 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.157 9.125 -6.956 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.140 8.265 -7.533 1.00 0.36 N ATOM 0 H ASN A2104 4.353 6.388 -4.995 1.00 0.21 H new ATOM 0 HA ASN A2104 2.374 7.504 -6.625 1.00 0.22 H new ATOM 0 HB2 ASN A2104 4.989 6.031 -7.079 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.022 6.573 -8.437 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.595 9.177 -7.489 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.680 7.437 -7.784 1.00 0.36 H new ATOM 875 N THR A2105 2.567 4.225 -6.769 1.00 0.21 N ATOM 876 CA THR A2105 1.869 3.027 -7.215 1.00 0.24 C ATOM 877 C THR A2105 0.579 2.807 -6.416 1.00 0.22 C ATOM 878 O THR A2105 -0.458 2.445 -6.978 1.00 0.24 O ATOM 879 CB THR A2105 2.781 1.787 -7.083 1.00 0.28 C ATOM 880 OG1 THR A2105 3.999 1.991 -7.816 1.00 0.33 O ATOM 881 CG2 THR A2105 2.081 0.536 -7.596 1.00 0.28 C ATOM 0 H THR A2105 3.393 4.041 -6.199 1.00 0.21 H new ATOM 0 HA THR A2105 1.607 3.169 -8.263 1.00 0.24 H new ATOM 0 HB THR A2105 3.010 1.648 -6.026 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.540 2.674 -7.368 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.746 -0.322 -7.491 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.173 0.364 -7.018 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.823 0.669 -8.647 1.00 0.28 H new ATOM 889 N LEU A2106 0.648 3.043 -5.111 1.00 0.20 N ATOM 890 CA LEU A2106 -0.486 2.822 -4.221 1.00 0.19 C ATOM 891 C LEU A2106 -1.607 3.818 -4.490 1.00 0.18 C ATOM 892 O LEU A2106 -2.766 3.430 -4.614 1.00 0.22 O ATOM 893 CB LEU A2106 -0.040 2.931 -2.763 1.00 0.28 C ATOM 894 CG LEU A2106 1.071 1.965 -2.350 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.446 2.177 -0.893 1.00 1.25 C ATOM 896 CD2 LEU A2106 0.647 0.525 -2.589 1.00 1.47 C ATOM 0 H LEU A2106 1.485 3.390 -4.643 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.868 1.819 -4.412 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.299 3.950 -2.578 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.905 2.761 -2.121 1.00 0.28 H new ATOM 0 HG LEU A2106 1.948 2.168 -2.964 1.00 0.50 H new ATOM 0 HD11 LEU A2106 2.238 1.481 -0.616 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.796 3.200 -0.752 1.00 1.25 H new ATOM 0 HD13 LEU A2106 0.573 2.002 -0.264 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.452 -0.146 -2.289 1.00 1.47 H new ATOM 0 HD22 LEU A2106 -0.246 0.306 -2.003 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.430 0.380 -3.647 1.00 1.47 H new ATOM 908 N THR A2107 -1.261 5.096 -4.588 1.00 0.19 N ATOM 909 CA THR A2107 -2.253 6.134 -4.836 1.00 0.27 C ATOM 910 C THR A2107 -2.866 5.945 -6.228 1.00 0.29 C ATOM 911 O THR A2107 -4.007 6.330 -6.482 1.00 0.33 O ATOM 912 CB THR A2107 -1.646 7.555 -4.674 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.677 8.512 -4.431 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.852 7.985 -5.896 1.00 0.44 C ATOM 0 H THR A2107 -0.304 5.437 -4.500 1.00 0.19 H new ATOM 0 HA THR A2107 -3.043 6.041 -4.091 1.00 0.27 H new ATOM 0 HB THR A2107 -0.966 7.510 -3.823 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.305 8.514 -5.183 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.448 8.984 -5.734 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.033 7.285 -6.063 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.504 7.994 -6.769 1.00 0.44 H new ATOM 922 N HIS A2108 -2.091 5.337 -7.119 1.00 0.29 N ATOM 923 CA HIS A2108 -2.563 4.972 -8.448 1.00 0.35 C ATOM 924 C HIS A2108 -3.559 3.820 -8.361 1.00 0.35 C ATOM 925 O HIS A2108 -4.664 3.895 -8.894 1.00 0.47 O ATOM 926 CB HIS A2108 -1.373 4.571 -9.313 1.00 0.38 C ATOM 927 CG HIS A2108 -1.725 4.244 -10.728 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.881 5.195 -11.709 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.943 3.054 -11.320 1.00 1.06 C ATOM 930 CE1 HIS A2108 -2.182 4.600 -12.848 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.225 3.299 -12.640 1.00 1.29 N ATOM 0 H HIS A2108 -1.119 5.084 -6.940 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.067 5.828 -8.896 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.646 5.383 -9.310 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.886 3.706 -8.863 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.903 2.086 -10.843 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.362 5.095 -13.791 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.434 2.591 -13.344 1.00 1.29 H new ATOM 940 N ASN A2109 -3.141 2.761 -7.685 1.00 0.27 N ATOM 941 CA ASN A2109 -3.961 1.558 -7.520 1.00 0.28 C ATOM 942 C ASN A2109 -5.275 1.850 -6.799 1.00 0.28 C ATOM 943 O ASN A2109 -6.335 1.378 -7.207 1.00 0.36 O ATOM 944 CB ASN A2109 -3.179 0.489 -6.754 1.00 0.28 C ATOM 945 CG ASN A2109 -2.466 -0.487 -7.671 1.00 0.35 C ATOM 946 OD1 ASN A2109 -3.012 -1.532 -8.029 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.244 -0.157 -8.056 1.00 0.39 N ATOM 0 H ASN A2109 -2.228 2.705 -7.234 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.205 1.194 -8.518 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.448 0.974 -6.107 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.862 -0.061 -6.106 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.718 -0.777 -8.672 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.828 0.718 -7.737 1.00 0.39 H new ATOM 954 N THR A2110 -5.201 2.639 -5.741 1.00 0.25 N ATOM 955 CA THR A2110 -6.369 2.954 -4.938 1.00 0.26 C ATOM 956 C THR A2110 -7.211 4.012 -5.634 1.00 0.27 C ATOM 957 O THR A2110 -8.435 4.067 -5.478 1.00 0.33 O ATOM 958 CB THR A2110 -5.956 3.419 -3.533 1.00 0.27 C ATOM 959 OG1 THR A2110 -5.022 4.503 -3.635 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.324 2.271 -2.762 1.00 0.29 C ATOM 0 H THR A2110 -4.338 3.076 -5.417 1.00 0.25 H new ATOM 0 HA THR A2110 -6.969 2.051 -4.827 1.00 0.26 H new ATOM 0 HB THR A2110 -6.845 3.756 -3.000 1.00 0.27 H new ATOM 0 HG1 THR A2110 -4.116 4.145 -3.739 1.00 0.24 H new ATOM 0 HG21 THR A2110 -5.036 2.615 -1.768 1.00 0.29 H new ATOM 0 HG22 THR A2110 -6.042 1.456 -2.670 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.440 1.918 -3.294 1.00 0.29 H new ATOM 968 N GLY A2111 -6.538 4.835 -6.431 1.00 0.23 N ATOM 969 CA GLY A2111 -7.214 5.843 -7.217 1.00 0.26 C ATOM 970 C GLY A2111 -7.390 7.135 -6.453 1.00 0.29 C ATOM 971 O GLY A2111 -8.056 8.062 -6.913 1.00 0.36 O ATOM 0 H GLY A2111 -5.525 4.818 -6.545 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.645 6.035 -8.127 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.190 5.468 -7.525 1.00 0.26 H new ATOM 975 N LEU A2112 -6.785 7.187 -5.284 1.00 0.28 N ATOM 976 CA LEU A2112 -6.893 8.333 -4.401 1.00 0.34 C ATOM 977 C LEU A2112 -5.687 9.229 -4.568 1.00 0.29 C ATOM 978 O LEU A2112 -5.000 9.194 -5.591 1.00 0.29 O ATOM 979 CB LEU A2112 -6.962 7.876 -2.950 1.00 0.43 C ATOM 980 CG LEU A2112 -7.296 6.410 -2.727 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.807 6.010 -1.364 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.785 6.138 -2.848 1.00 0.47 C ATOM 0 H LEU A2112 -6.203 6.434 -4.917 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.801 8.879 -4.658 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -6.002 8.085 -2.478 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.709 8.480 -2.435 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.802 5.821 -3.500 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.039 4.960 -1.188 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.729 6.158 -1.306 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.298 6.622 -0.607 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -8.976 5.078 -2.681 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.324 6.725 -2.104 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.126 6.415 -3.846 1.00 0.47 H new ATOM 994 N ASP A2113 -5.451 10.036 -3.556 1.00 0.28 N ATOM 995 CA ASP A2113 -4.322 10.943 -3.541 1.00 0.28 C ATOM 996 C ASP A2113 -3.650 10.896 -2.187 1.00 0.30 C ATOM 997 O ASP A2113 -4.282 11.118 -1.152 1.00 0.35 O ATOM 998 CB ASP A2113 -4.778 12.353 -3.858 1.00 0.34 C ATOM 999 CG ASP A2113 -3.665 13.377 -3.747 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -2.741 13.356 -4.588 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.702 14.209 -2.818 1.00 0.43 O ATOM 0 H ASP A2113 -6.035 10.082 -2.721 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.605 10.635 -4.302 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.187 12.378 -4.868 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.586 12.628 -3.180 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.371 10.610 -2.209 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.615 10.321 -1.001 1.00 0.30 C ATOM 1008 C LEU A2114 -0.293 11.078 -0.976 1.00 0.30 C ATOM 1009 O LEU A2114 0.243 11.438 -2.022 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.343 8.818 -0.932 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.587 7.935 -0.984 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.205 6.468 -0.971 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.508 8.266 0.177 1.00 0.91 C ATOM 0 H LEU A2114 -1.818 10.569 -3.065 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.203 10.642 -0.141 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.687 8.544 -1.758 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.802 8.604 -0.010 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.118 8.133 -1.915 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.107 5.857 -1.009 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.580 6.247 -1.837 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.653 6.244 -0.058 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.393 7.631 0.132 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -2.985 8.093 1.117 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.808 9.312 0.116 1.00 0.91 H new ATOM 1025 N PRO A2115 0.245 11.321 0.228 1.00 0.29 N ATOM 1026 CA PRO A2115 1.551 11.963 0.412 1.00 0.31 C ATOM 1027 C PRO A2115 2.698 10.974 0.242 1.00 0.28 C ATOM 1028 O PRO A2115 2.535 9.777 0.475 1.00 0.25 O ATOM 1029 CB PRO A2115 1.493 12.413 1.868 1.00 0.33 C ATOM 1030 CG PRO A2115 0.686 11.350 2.523 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.385 10.999 1.527 1.00 0.30 C ATOM 0 HA PRO A2115 1.728 12.760 -0.310 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.488 12.489 2.305 1.00 0.33 H new ATOM 0 HB3 PRO A2115 1.025 13.392 1.968 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.299 10.482 2.764 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.253 11.704 3.459 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.664 9.947 1.590 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.293 11.580 1.690 1.00 0.30 H new ATOM 1039 N PRO A2116 3.885 11.458 -0.143 1.00 0.33 N ATOM 1040 CA PRO A2116 5.077 10.616 -0.227 1.00 0.36 C ATOM 1041 C PRO A2116 5.629 10.283 1.161 1.00 0.34 C ATOM 1042 O PRO A2116 6.638 9.594 1.297 1.00 0.43 O ATOM 1043 CB PRO A2116 6.060 11.477 -1.024 1.00 0.44 C ATOM 1044 CG PRO A2116 5.654 12.880 -0.736 1.00 0.46 C ATOM 1045 CD PRO A2116 4.161 12.854 -0.536 1.00 0.43 C ATOM 0 HA PRO A2116 4.880 9.650 -0.692 1.00 0.36 H new ATOM 0 HB2 PRO A2116 7.089 11.291 -0.716 1.00 0.44 H new ATOM 0 HB3 PRO A2116 6.003 11.259 -2.090 1.00 0.44 H new ATOM 0 HG2 PRO A2116 6.159 13.256 0.153 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.925 13.540 -1.560 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.848 13.557 0.236 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.630 13.126 -1.448 1.00 0.43 H new ATOM 1053 N THR A2117 4.947 10.776 2.193 1.00 0.27 N ATOM 1054 CA THR A2117 5.345 10.523 3.568 1.00 0.24 C ATOM 1055 C THR A2117 4.578 9.351 4.173 1.00 0.17 C ATOM 1056 O THR A2117 4.780 9.023 5.340 1.00 0.15 O ATOM 1057 CB THR A2117 5.135 11.766 4.444 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.832 12.312 4.201 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.197 12.815 4.162 1.00 0.36 C ATOM 0 H THR A2117 4.113 11.355 2.097 1.00 0.27 H new ATOM 0 HA THR A2117 6.406 10.273 3.543 1.00 0.24 H new ATOM 0 HB THR A2117 5.218 11.470 5.490 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.699 13.104 4.762 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.026 13.685 4.795 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.183 12.401 4.373 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.145 13.113 3.115 1.00 0.36 H new ATOM 1067 N LEU A2118 3.683 8.747 3.383 1.00 0.16 N ATOM 1068 CA LEU A2118 2.971 7.526 3.780 1.00 0.16 C ATOM 1069 C LEU A2118 3.859 6.576 4.551 1.00 0.16 C ATOM 1070 O LEU A2118 3.603 6.252 5.709 1.00 0.19 O ATOM 1071 CB LEU A2118 2.509 6.764 2.550 1.00 0.23 C ATOM 1072 CG LEU A2118 1.336 7.341 1.796 1.00 0.33 C ATOM 1073 CD1 LEU A2118 1.055 6.459 0.595 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.130 7.426 2.709 1.00 0.77 C ATOM 0 H LEU A2118 3.432 9.088 2.455 1.00 0.16 H new ATOM 0 HA LEU A2118 2.135 7.851 4.400 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.351 6.686 1.862 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.252 5.750 2.855 1.00 0.23 H new ATOM 0 HG LEU A2118 1.563 8.350 1.451 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.209 6.862 0.038 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.934 6.431 -0.049 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.820 5.449 0.932 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.714 7.843 2.159 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.127 6.429 3.066 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.362 8.067 3.559 1.00 0.77 H new ATOM 1086 N ILE A2119 4.892 6.134 3.862 1.00 0.15 N ATOM 1087 CA ILE A2119 5.817 5.132 4.367 1.00 0.18 C ATOM 1088 C ILE A2119 6.453 5.564 5.686 1.00 0.20 C ATOM 1089 O ILE A2119 6.881 4.734 6.477 1.00 0.28 O ATOM 1090 CB ILE A2119 6.943 4.876 3.345 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.398 4.844 1.909 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.675 3.584 3.666 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.283 3.852 1.661 1.00 0.20 C ATOM 0 H ILE A2119 5.118 6.463 2.923 1.00 0.15 H new ATOM 0 HA ILE A2119 5.240 4.222 4.532 1.00 0.18 H new ATOM 0 HB ILE A2119 7.650 5.703 3.416 1.00 0.19 H new ATOM 0 HG12 ILE A2119 6.039 5.841 1.652 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.221 4.617 1.231 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.465 3.422 2.933 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.112 3.651 4.662 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.973 2.750 3.633 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.970 3.909 0.618 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.637 2.844 1.879 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.437 4.087 2.307 1.00 0.20 H new ATOM 1105 N PHE A2120 6.519 6.863 5.906 1.00 0.17 N ATOM 1106 CA PHE A2120 7.149 7.411 7.083 1.00 0.19 C ATOM 1107 C PHE A2120 6.158 7.584 8.234 1.00 0.20 C ATOM 1108 O PHE A2120 6.520 7.452 9.403 1.00 0.26 O ATOM 1109 CB PHE A2120 7.793 8.734 6.705 1.00 0.19 C ATOM 1110 CG PHE A2120 9.006 8.527 5.854 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.019 7.696 6.291 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.127 9.134 4.615 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.131 7.469 5.516 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.244 8.915 3.832 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.248 8.079 4.284 1.00 0.38 C ATOM 0 H PHE A2120 6.137 7.564 5.272 1.00 0.17 H new ATOM 0 HA PHE A2120 7.909 6.716 7.441 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.072 9.352 6.169 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.069 9.277 7.609 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.936 7.218 7.256 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.342 9.784 4.258 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.913 6.814 5.871 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.333 9.396 2.869 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.122 7.904 3.674 1.00 0.38 H new ATOM 1125 N ASP A2121 4.907 7.870 7.897 1.00 0.17 N ATOM 1126 CA ASP A2121 3.868 8.067 8.907 1.00 0.22 C ATOM 1127 C ASP A2121 3.254 6.735 9.313 1.00 0.20 C ATOM 1128 O ASP A2121 2.862 6.536 10.461 1.00 0.29 O ATOM 1129 CB ASP A2121 2.772 8.989 8.375 1.00 0.29 C ATOM 1130 CG ASP A2121 1.903 9.551 9.483 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.872 8.935 9.818 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.248 10.623 10.026 1.00 0.88 O ATOM 0 H ASP A2121 4.585 7.971 6.935 1.00 0.17 H new ATOM 0 HA ASP A2121 4.332 8.527 9.780 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.228 9.810 7.822 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.148 8.439 7.671 1.00 0.29 H new ATOM 1137 N HIS A2122 3.184 5.828 8.356 1.00 0.14 N ATOM 1138 CA HIS A2122 2.609 4.508 8.571 1.00 0.14 C ATOM 1139 C HIS A2122 3.556 3.472 8.002 1.00 0.14 C ATOM 1140 O HIS A2122 3.303 2.899 6.941 1.00 0.14 O ATOM 1141 CB HIS A2122 1.252 4.371 7.877 1.00 0.16 C ATOM 1142 CG HIS A2122 0.302 5.497 8.135 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.648 5.473 9.132 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.153 6.686 7.505 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.342 6.594 9.101 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.877 7.349 8.124 1.00 0.40 N ATOM 0 H HIS A2122 3.524 5.983 7.407 1.00 0.14 H new ATOM 0 HA HIS A2122 2.463 4.362 9.641 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.415 4.290 6.802 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.787 3.440 8.200 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.736 7.046 6.670 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.155 6.851 9.764 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.226 8.273 7.870 1.00 0.40 H new ATOM 1155 N PRO A2123 4.666 3.219 8.686 1.00 0.16 N ATOM 1156 CA PRO A2123 5.719 2.397 8.154 1.00 0.17 C ATOM 1157 C PRO A2123 5.565 0.938 8.529 1.00 0.15 C ATOM 1158 O PRO A2123 5.819 0.553 9.666 1.00 0.19 O ATOM 1159 CB PRO A2123 6.958 2.982 8.843 1.00 0.20 C ATOM 1160 CG PRO A2123 6.456 3.781 10.012 1.00 0.25 C ATOM 1161 CD PRO A2123 4.956 3.662 10.024 1.00 0.20 C ATOM 0 HA PRO A2123 5.746 2.408 7.064 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.629 2.189 9.174 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.523 3.612 8.156 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.879 3.406 10.944 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.758 4.824 9.922 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.612 2.947 10.771 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.476 4.614 10.249 1.00 0.20 H new ATOM 1169 N THR A2124 5.101 0.180 7.550 1.00 0.12 N ATOM 1170 CA THR A2124 5.195 -1.270 7.419 1.00 0.10 C ATOM 1171 C THR A2124 4.240 -1.631 6.296 1.00 0.10 C ATOM 1172 O THR A2124 3.324 -0.844 6.037 1.00 0.11 O ATOM 1173 CB THR A2124 4.851 -2.087 8.686 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.735 -1.523 9.376 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.045 -2.180 9.606 1.00 0.11 C ATOM 0 H THR A2124 4.607 0.594 6.759 1.00 0.12 H new ATOM 0 HA THR A2124 6.236 -1.529 7.227 1.00 0.10 H new ATOM 0 HB THR A2124 4.580 -3.094 8.367 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.538 -2.059 10.172 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.779 -2.759 10.490 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.868 -2.670 9.086 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.351 -1.178 9.907 1.00 0.11 H new ATOM 1183 N PRO A2125 4.390 -2.754 5.591 1.00 0.11 N ATOM 1184 CA PRO A2125 3.371 -3.151 4.628 1.00 0.12 C ATOM 1185 C PRO A2125 2.008 -3.251 5.304 1.00 0.13 C ATOM 1186 O PRO A2125 0.992 -2.851 4.735 1.00 0.14 O ATOM 1187 CB PRO A2125 3.840 -4.511 4.123 1.00 0.12 C ATOM 1188 CG PRO A2125 5.303 -4.541 4.407 1.00 0.12 C ATOM 1189 CD PRO A2125 5.522 -3.688 5.630 1.00 0.11 C ATOM 0 HA PRO A2125 3.252 -2.432 3.817 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.322 -5.322 4.634 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.642 -4.627 3.057 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.643 -5.562 4.581 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.870 -4.156 3.560 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.522 -4.284 6.543 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.478 -3.165 5.591 1.00 0.11 H new ATOM 1197 N HIS A2126 2.004 -3.738 6.550 1.00 0.13 N ATOM 1198 CA HIS A2126 0.772 -3.849 7.322 1.00 0.15 C ATOM 1199 C HIS A2126 0.219 -2.477 7.699 1.00 0.14 C ATOM 1200 O HIS A2126 -0.981 -2.259 7.597 1.00 0.16 O ATOM 1201 CB HIS A2126 0.997 -4.712 8.569 1.00 0.18 C ATOM 1202 CG HIS A2126 -0.137 -4.665 9.555 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.360 -5.255 9.322 1.00 0.35 N ATOM 1204 CD2 HIS A2126 -0.235 -4.068 10.768 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -2.161 -5.023 10.346 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.503 -4.308 11.237 1.00 0.40 N ATOM 0 H HIS A2126 2.839 -4.059 7.039 1.00 0.13 H new ATOM 0 HA HIS A2126 0.027 -4.337 6.694 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.154 -5.745 8.260 1.00 0.18 H new ATOM 0 HB3 HIS A2126 1.911 -4.385 9.065 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.539 -3.508 11.271 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -3.182 -5.362 10.438 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.875 -3.985 12.130 1.00 0.40 H new ATOM 1215 N ALA A2127 1.081 -1.555 8.130 1.00 0.13 N ATOM 1216 CA ALA A2127 0.631 -0.206 8.497 1.00 0.12 C ATOM 1217 C ALA A2127 -0.108 0.450 7.340 1.00 0.11 C ATOM 1218 O ALA A2127 -1.137 1.099 7.532 1.00 0.11 O ATOM 1219 CB ALA A2127 1.799 0.676 8.927 1.00 0.13 C ATOM 0 H ALA A2127 2.084 -1.712 8.234 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.049 -0.311 9.342 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.429 1.667 9.191 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.293 0.231 9.791 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.511 0.762 8.107 1.00 0.13 H new ATOM 1225 N LEU A2128 0.411 0.273 6.136 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.233 0.815 4.958 1.00 0.11 C ATOM 1227 C LEU A2128 -1.476 0.024 4.594 1.00 0.13 C ATOM 1228 O LEU A2128 -2.422 0.578 4.040 1.00 0.14 O ATOM 1229 CB LEU A2128 0.734 0.844 3.791 1.00 0.11 C ATOM 1230 CG LEU A2128 1.839 1.877 3.915 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.698 1.843 2.675 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.250 3.267 4.136 1.00 0.12 C ATOM 0 H LEU A2128 1.273 -0.240 5.952 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.540 1.836 5.186 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.186 -0.142 3.685 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.174 1.038 2.876 1.00 0.11 H new ATOM 0 HG LEU A2128 2.460 1.640 4.779 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.492 2.584 2.762 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.137 0.852 2.564 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.086 2.068 1.802 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.057 3.995 4.223 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.613 3.531 3.292 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.659 3.270 5.052 1.00 0.12 H new ATOM 1244 N THR A2129 -1.489 -1.261 4.932 1.00 0.15 N ATOM 1245 CA THR A2129 -2.656 -2.090 4.693 1.00 0.17 C ATOM 1246 C THR A2129 -3.848 -1.492 5.421 1.00 0.17 C ATOM 1247 O THR A2129 -4.987 -1.562 4.959 1.00 0.20 O ATOM 1248 CB THR A2129 -2.438 -3.545 5.171 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.269 -4.108 4.561 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.637 -4.409 4.832 1.00 0.18 C ATOM 0 H THR A2129 -0.706 -1.746 5.370 1.00 0.15 H new ATOM 0 HA THR A2129 -2.837 -2.117 3.618 1.00 0.17 H new ATOM 0 HB THR A2129 -2.307 -3.520 6.253 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.544 -3.449 4.573 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.461 -5.428 5.178 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.524 -4.008 5.322 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.789 -4.413 3.753 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.557 -0.863 6.550 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.585 -0.227 7.347 1.00 0.18 C ATOM 1260 C GLN A2130 -4.940 1.139 6.761 1.00 0.17 C ATOM 1261 O GLN A2130 -6.114 1.511 6.695 1.00 0.20 O ATOM 1262 CB GLN A2130 -4.135 -0.060 8.802 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.081 -1.060 9.250 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.847 -1.033 10.745 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -3.480 -1.771 11.497 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -1.947 -0.170 11.185 1.00 1.13 N ATOM 0 H GLN A2130 -2.615 -0.782 6.932 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.465 -0.870 7.329 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.742 0.948 8.935 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -5.005 -0.151 9.452 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.388 -2.063 8.953 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.143 -0.848 8.736 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -1.444 0.424 10.525 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -1.755 -0.098 12.184 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.920 1.882 6.327 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.128 3.225 5.796 1.00 0.18 C ATOM 1277 C HIS A2131 -4.933 3.193 4.501 1.00 0.18 C ATOM 1278 O HIS A2131 -5.950 3.873 4.386 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.789 3.935 5.566 1.00 0.23 C ATOM 1280 CG HIS A2131 -2.944 5.357 5.117 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.464 6.346 5.921 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.670 5.945 3.932 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.508 7.480 5.248 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.030 7.268 4.038 1.00 0.31 N ATOM 0 H HIS A2131 -2.947 1.576 6.334 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.698 3.784 6.538 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.210 3.913 6.489 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.217 3.385 4.819 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -2.247 5.465 3.062 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -3.874 8.423 5.625 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -2.942 7.969 3.302 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.477 2.411 3.527 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.170 2.316 2.250 1.00 0.21 C ATOM 1295 C LEU A2132 -6.580 1.771 2.429 1.00 0.21 C ATOM 1296 O LEU A2132 -7.495 2.148 1.698 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.390 1.457 1.248 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.172 2.140 0.614 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.496 3.581 0.277 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.972 2.084 1.534 1.00 0.64 C ATOM 0 H LEU A2132 -3.636 1.838 3.598 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.239 3.326 1.846 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -4.057 0.550 1.753 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -5.068 1.148 0.453 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.926 1.603 -0.302 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.623 4.055 -0.172 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.328 3.612 -0.426 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.770 4.115 1.187 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.124 2.576 1.057 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.207 2.592 2.470 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.719 1.044 1.739 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.760 0.915 3.427 1.00 0.20 N ATOM 1313 CA HIS A2133 -8.064 0.336 3.688 1.00 0.21 C ATOM 1314 C HIS A2133 -8.989 1.395 4.265 1.00 0.21 C ATOM 1315 O HIS A2133 -10.168 1.458 3.919 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.955 -0.860 4.638 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.253 -1.583 4.827 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.731 -1.955 6.060 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.177 -1.993 3.924 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.892 -2.562 5.916 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.190 -2.601 4.629 1.00 0.31 N ATOM 0 H HIS A2133 -6.023 0.610 4.063 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.479 -0.025 2.747 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.211 -1.557 4.251 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.594 -0.515 5.607 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -10.127 -1.866 2.853 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.498 -2.961 6.716 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -12.031 -3.013 4.225 1.00 0.31 H new ATOM 1330 N THR A2134 -8.445 2.233 5.134 1.00 0.18 N ATOM 1331 CA THR A2134 -9.199 3.343 5.680 1.00 0.22 C ATOM 1332 C THR A2134 -9.601 4.306 4.568 1.00 0.26 C ATOM 1333 O THR A2134 -10.770 4.647 4.431 1.00 0.34 O ATOM 1334 CB THR A2134 -8.401 4.100 6.757 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.097 3.221 7.850 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.181 5.305 7.268 1.00 0.36 C ATOM 0 H THR A2134 -7.486 2.163 5.474 1.00 0.18 H new ATOM 0 HA THR A2134 -10.093 2.931 6.149 1.00 0.22 H new ATOM 0 HB THR A2134 -7.474 4.455 6.307 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.416 2.574 7.570 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.595 5.822 8.028 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.383 5.985 6.441 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.124 4.971 7.702 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.621 4.709 3.768 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.838 5.633 2.660 1.00 0.32 C ATOM 1346 C ARG A2135 -10.047 5.255 1.804 1.00 0.40 C ATOM 1347 O ARG A2135 -10.962 6.056 1.619 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.598 5.669 1.781 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.405 6.330 2.432 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.696 7.783 2.749 1.00 0.33 C ATOM 1351 NE ARG A2135 -7.070 8.548 1.556 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.706 9.813 1.328 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -5.966 10.471 2.212 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -7.105 10.425 0.222 1.00 1.64 N ATOM 0 H ARG A2135 -7.653 4.405 3.869 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.037 6.613 3.093 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.330 4.649 1.505 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.835 6.197 0.857 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.145 5.799 3.348 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.542 6.264 1.770 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.502 7.839 3.481 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -5.817 8.236 3.208 1.00 0.33 H new ATOM 0 HE ARG A2135 -7.646 8.084 0.854 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -5.671 10.011 3.073 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -5.692 11.437 2.030 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -7.689 9.930 -0.453 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -6.829 11.391 0.045 1.00 1.64 H new ATOM 1368 N LEU A2136 -10.038 4.033 1.285 1.00 0.41 N ATOM 1369 CA LEU A2136 -11.070 3.559 0.383 1.00 0.51 C ATOM 1370 C LEU A2136 -12.438 3.504 1.051 1.00 0.58 C ATOM 1371 O LEU A2136 -13.452 3.838 0.436 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.675 2.176 -0.128 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.401 2.163 -0.968 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.919 0.746 -1.212 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.646 2.871 -2.283 1.00 0.75 C ATOM 0 H LEU A2136 -9.311 3.345 1.481 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.153 4.262 -0.446 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.542 1.510 0.724 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.494 1.773 -0.723 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.621 2.689 -0.417 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -8.010 0.769 -1.813 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.710 0.263 -0.257 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.690 0.186 -1.741 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.733 2.859 -2.878 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.441 2.362 -2.828 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.940 3.903 -2.091 1.00 0.75 H new ATOM 1387 N THR A2137 -12.466 3.099 2.309 1.00 0.43 N ATOM 1388 CA THR A2137 -13.714 2.904 3.012 1.00 0.47 C ATOM 1389 C THR A2137 -14.269 4.225 3.535 1.00 0.54 C ATOM 1390 O THR A2137 -15.485 4.415 3.615 1.00 0.68 O ATOM 1391 CB THR A2137 -13.518 1.901 4.158 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.510 2.366 5.066 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.099 0.551 3.598 1.00 0.42 C ATOM 0 H THR A2137 -11.633 2.899 2.863 1.00 0.43 H new ATOM 0 HA THR A2137 -14.444 2.499 2.311 1.00 0.47 H new ATOM 0 HB THR A2137 -14.463 1.802 4.693 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.627 2.089 4.744 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.962 -0.156 4.416 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.872 0.181 2.925 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.162 0.659 3.051 1.00 0.42 H new