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= -4.11 K(o=-4,f=-6.5) USER MOD Set 1.2: A2079 THR OG1 : rot -170:sc= 0.122 USER MOD Set 2.1: A2059 GLN : amide:sc= 0.879 K(o=1.7,f=-0.7) USER MOD Set 2.2: A2133 HIS : no HD1:sc= 0.815 K(o=1.7,f=-7.1!) USER MOD Set 3.1: A2057 GLN : amide:sc= -0.063 K(o=-0.13,f=-0.66) USER MOD Set 3.2: A2061 GLN : amide:sc= -0.0658 K(o=-0.13,f=-0.71) USER MOD Single : A2058 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.38) USER MOD Single : A2060 GLN : amide:sc= -0.967 K(o=-0.97,f=-5.1!) USER MOD Single : A2062 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A2065 THR OG1 : rot 69:sc= 1.22 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A2073 THR OG1 : rot 79:sc= 0.658 USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2082 SER OG : rot -43:sc= 0.419 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= -0.0721 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2096 SER OG : rot 180:sc= 0 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.595 USER MOD Single : A2104 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.3!) USER MOD Single : A2105 THR OG1 : rot 70:sc= 0.183 USER MOD Single : A2107 THR OG1 : rot -62:sc= 0.402 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= -0.483 K(o=-0.48,f=-1.4) USER MOD Single : A2110 THR OG1 : rot -80:sc= 0.39 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A2122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.0347 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 77:sc= 1.14 USER MOD Single : A2130 GLN :FLIP amide:sc= -0.0757 F(o=-0.94,f=-0.076) USER MOD Single : A2131 HIS : no HE2:sc= -0.0276 X(o=-0.028,f=-0.23) USER MOD Single : A2134 THR OG1 : rot 65:sc= 1.23 USER MOD Single : A2137 THR OG1 : rot -89:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -13.897 -6.666 5.299 1.00 0.67 N ATOM 151 CA PRO A2056 -12.723 -5.848 5.619 1.00 0.61 C ATOM 152 C PRO A2056 -11.395 -6.547 5.359 1.00 0.54 C ATOM 153 O PRO A2056 -10.568 -6.038 4.607 1.00 0.50 O ATOM 154 CB PRO A2056 -12.904 -5.572 7.100 1.00 0.71 C ATOM 155 CG PRO A2056 -14.375 -5.486 7.263 1.00 0.86 C ATOM 156 CD PRO A2056 -14.958 -6.497 6.312 1.00 0.81 C ATOM 0 HA PRO A2056 -12.672 -4.957 4.993 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -12.479 -6.369 7.711 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -12.413 -4.646 7.398 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -14.667 -5.703 8.290 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -14.735 -4.483 7.035 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.187 -7.437 6.815 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -15.886 -6.140 5.866 1.00 0.81 H new ATOM 164 N GLN A2057 -11.207 -7.716 5.956 1.00 0.58 N ATOM 165 CA GLN A2057 -9.962 -8.461 5.818 1.00 0.60 C ATOM 166 C GLN A2057 -9.733 -8.898 4.373 1.00 0.57 C ATOM 167 O GLN A2057 -8.603 -8.854 3.881 1.00 0.57 O ATOM 168 CB GLN A2057 -9.980 -9.676 6.741 1.00 0.71 C ATOM 169 CG GLN A2057 -8.781 -10.588 6.570 1.00 0.83 C ATOM 170 CD GLN A2057 -8.828 -11.784 7.495 1.00 1.19 C ATOM 171 OE1 GLN A2057 -9.364 -11.707 8.600 1.00 1.63 O ATOM 172 NE2 GLN A2057 -8.277 -12.900 7.047 1.00 1.95 N ATOM 0 H GLN A2057 -11.905 -8.171 6.544 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.139 -7.805 6.102 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.022 -9.335 7.775 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -10.890 -10.248 6.557 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -8.735 -10.933 5.537 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -7.868 -10.023 6.758 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -7.843 -12.920 6.124 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -8.286 -13.741 7.624 1.00 1.95 H new ATOM 181 N GLN A2058 -10.802 -9.321 3.703 1.00 0.59 N ATOM 182 CA GLN A2058 -10.728 -9.668 2.287 1.00 0.64 C ATOM 183 C GLN A2058 -10.168 -8.498 1.499 1.00 0.57 C ATOM 184 O GLN A2058 -9.278 -8.659 0.661 1.00 0.59 O ATOM 185 CB GLN A2058 -12.109 -10.041 1.744 1.00 0.75 C ATOM 186 CG GLN A2058 -12.632 -11.375 2.244 1.00 0.83 C ATOM 187 CD GLN A2058 -11.630 -12.502 2.073 1.00 0.99 C ATOM 188 OE1 GLN A2058 -11.568 -13.140 1.024 1.00 1.44 O ATOM 189 NE2 GLN A2058 -10.852 -12.764 3.111 1.00 1.60 N ATOM 0 H GLN A2058 -11.728 -9.431 4.117 1.00 0.59 H new ATOM 0 HA GLN A2058 -10.070 -10.530 2.179 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.818 -9.260 2.017 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -12.065 -10.065 0.655 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.894 -11.285 3.298 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.548 -11.625 1.708 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -10.935 -12.210 3.964 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -10.169 -13.520 3.058 1.00 1.60 H new ATOM 198 N GLN A2059 -10.686 -7.315 1.796 1.00 0.54 N ATOM 199 CA GLN A2059 -10.203 -6.092 1.184 1.00 0.52 C ATOM 200 C GLN A2059 -8.758 -5.830 1.563 1.00 0.47 C ATOM 201 O GLN A2059 -7.939 -5.500 0.706 1.00 0.49 O ATOM 202 CB GLN A2059 -11.055 -4.907 1.610 1.00 0.57 C ATOM 203 CG GLN A2059 -12.430 -4.889 1.000 1.00 0.72 C ATOM 204 CD GLN A2059 -13.205 -3.684 1.452 1.00 1.02 C ATOM 205 OE1 GLN A2059 -13.061 -3.223 2.584 1.00 1.50 O ATOM 206 NE2 GLN A2059 -13.990 -3.138 0.561 1.00 1.19 N ATOM 0 H GLN A2059 -11.446 -7.179 2.462 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.270 -6.216 0.103 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.151 -4.914 2.696 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.538 -3.986 1.341 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.349 -4.887 -0.087 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.967 -5.796 1.278 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -14.078 -3.556 -0.365 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -14.515 -2.294 0.792 1.00 1.19 H new ATOM 215 N GLN A2060 -8.448 -5.978 2.846 1.00 0.44 N ATOM 216 CA GLN A2060 -7.103 -5.717 3.335 1.00 0.42 C ATOM 217 C GLN A2060 -6.100 -6.562 2.602 1.00 0.39 C ATOM 218 O GLN A2060 -5.238 -6.032 1.952 1.00 0.37 O ATOM 219 CB GLN A2060 -6.971 -5.984 4.834 1.00 0.45 C ATOM 220 CG GLN A2060 -7.951 -5.217 5.688 1.00 0.50 C ATOM 221 CD GLN A2060 -7.786 -5.511 7.166 1.00 0.60 C ATOM 222 OE1 GLN A2060 -8.407 -6.427 7.702 1.00 0.78 O ATOM 223 NE2 GLN A2060 -6.948 -4.737 7.835 1.00 0.95 N ATOM 0 H GLN A2060 -9.109 -6.277 3.563 1.00 0.44 H new ATOM 0 HA GLN A2060 -6.906 -4.660 3.154 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.106 -7.050 5.015 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -5.958 -5.733 5.149 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -7.819 -4.149 5.516 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -8.967 -5.466 5.382 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -6.452 -3.987 7.354 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -6.798 -4.890 8.832 1.00 0.95 H new ATOM 232 N GLN A2061 -6.231 -7.873 2.693 1.00 0.41 N ATOM 233 CA GLN A2061 -5.290 -8.785 2.044 1.00 0.42 C ATOM 234 C GLN A2061 -5.130 -8.472 0.562 1.00 0.43 C ATOM 235 O GLN A2061 -4.045 -8.614 -0.002 1.00 0.41 O ATOM 236 CB GLN A2061 -5.751 -10.210 2.228 1.00 0.51 C ATOM 237 CG GLN A2061 -5.698 -10.646 3.674 1.00 0.56 C ATOM 238 CD GLN A2061 -6.251 -12.038 3.893 1.00 0.67 C ATOM 239 OE1 GLN A2061 -7.145 -12.486 3.176 1.00 1.03 O ATOM 240 NE2 GLN A2061 -5.721 -12.731 4.887 1.00 1.32 N ATOM 0 H GLN A2061 -6.979 -8.336 3.209 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.316 -8.652 2.514 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.771 -10.311 1.857 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.127 -10.872 1.628 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.665 -10.613 4.020 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.261 -9.938 4.282 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -4.981 -12.321 5.457 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -6.052 -13.676 5.084 1.00 1.32 H new ATOM 249 N THR A2062 -6.218 -8.054 -0.057 1.00 0.49 N ATOM 250 CA THR A2062 -6.184 -7.564 -1.429 1.00 0.55 C ATOM 251 C THR A2062 -5.195 -6.408 -1.583 1.00 0.49 C ATOM 252 O THR A2062 -4.288 -6.451 -2.417 1.00 0.48 O ATOM 253 CB THR A2062 -7.568 -7.077 -1.880 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.509 -8.160 -1.845 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.489 -6.501 -3.288 1.00 0.77 C ATOM 0 H THR A2062 -7.145 -8.043 0.369 1.00 0.49 H new ATOM 0 HA THR A2062 -5.868 -8.402 -2.051 1.00 0.55 H new ATOM 0 HB THR A2062 -7.903 -6.296 -1.198 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.979 -8.157 -0.985 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.477 -6.159 -3.597 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.794 -5.661 -3.299 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.140 -7.270 -3.977 1.00 0.77 H new ATOM 263 N LEU A2063 -5.364 -5.387 -0.756 1.00 0.50 N ATOM 264 CA LEU A2063 -4.562 -4.187 -0.841 1.00 0.53 C ATOM 265 C LEU A2063 -3.228 -4.410 -0.144 1.00 0.44 C ATOM 266 O LEU A2063 -2.259 -3.694 -0.360 1.00 0.47 O ATOM 267 CB LEU A2063 -5.337 -3.026 -0.222 1.00 0.69 C ATOM 268 CG LEU A2063 -5.737 -3.177 1.241 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.663 -2.620 2.151 1.00 1.32 C ATOM 270 CD2 LEU A2063 -7.068 -2.492 1.493 1.00 1.22 C ATOM 0 H LEU A2063 -6.060 -5.372 -0.011 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.353 -3.943 -1.882 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.734 -2.123 -0.319 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.242 -2.869 -0.809 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.847 -4.238 1.464 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -4.969 -2.738 3.190 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.730 -3.158 1.984 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.515 -1.562 1.934 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.343 -2.607 2.541 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -6.983 -1.432 1.254 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.835 -2.945 0.865 1.00 1.22 H new ATOM 282 N ALA A2064 -3.218 -5.434 0.679 1.00 0.39 N ATOM 283 CA ALA A2064 -2.039 -5.889 1.380 1.00 0.38 C ATOM 284 C ALA A2064 -1.067 -6.454 0.365 1.00 0.37 C ATOM 285 O ALA A2064 0.113 -6.110 0.332 1.00 0.51 O ATOM 286 CB ALA A2064 -2.435 -6.956 2.393 1.00 0.38 C ATOM 0 H ALA A2064 -4.050 -5.987 0.884 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.567 -5.064 1.913 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.548 -7.301 2.923 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.144 -6.535 3.106 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.898 -7.796 1.875 1.00 0.38 H new ATOM 292 N THR A2065 -1.612 -7.318 -0.480 1.00 0.28 N ATOM 293 CA THR A2065 -0.904 -7.866 -1.617 1.00 0.28 C ATOM 294 C THR A2065 -0.488 -6.750 -2.569 1.00 0.27 C ATOM 295 O THR A2065 0.599 -6.782 -3.144 1.00 0.25 O ATOM 296 CB THR A2065 -1.803 -8.869 -2.355 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.162 -9.936 -1.468 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.114 -9.432 -3.591 1.00 0.41 C ATOM 0 H THR A2065 -2.569 -7.659 -0.390 1.00 0.28 H new ATOM 0 HA THR A2065 -0.009 -8.377 -1.261 1.00 0.28 H new ATOM 0 HB THR A2065 -2.700 -8.344 -2.683 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.769 -9.597 -0.777 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.779 -10.138 -4.088 1.00 0.41 H new ATOM 0 HG22 THR A2065 -0.872 -8.618 -4.275 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.198 -9.943 -3.296 1.00 0.41 H new ATOM 306 N LEU A2066 -1.363 -5.759 -2.713 1.00 0.29 N ATOM 307 CA LEU A2066 -1.086 -4.589 -3.523 1.00 0.28 C ATOM 308 C LEU A2066 0.164 -3.906 -2.988 1.00 0.23 C ATOM 309 O LEU A2066 1.150 -3.745 -3.703 1.00 0.22 O ATOM 310 CB LEU A2066 -2.278 -3.636 -3.440 1.00 0.32 C ATOM 311 CG LEU A2066 -2.414 -2.563 -4.523 1.00 0.57 C ATOM 312 CD1 LEU A2066 -3.045 -1.327 -3.916 1.00 0.92 C ATOM 313 CD2 LEU A2066 -1.088 -2.213 -5.183 1.00 1.35 C ATOM 0 H LEU A2066 -2.282 -5.749 -2.270 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.925 -4.875 -4.562 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.188 -4.237 -3.448 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.237 -3.133 -2.474 1.00 0.32 H new ATOM 0 HG LEU A2066 -3.049 -2.966 -5.312 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -3.146 -0.557 -4.681 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -4.030 -1.578 -3.521 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.414 -0.956 -3.108 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -1.250 -1.447 -5.941 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.395 -1.837 -4.430 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.668 -3.104 -5.651 1.00 1.35 H new ATOM 325 N VAL A2067 0.103 -3.526 -1.718 1.00 0.21 N ATOM 326 CA VAL A2067 1.207 -2.859 -1.050 1.00 0.18 C ATOM 327 C VAL A2067 2.496 -3.661 -1.197 1.00 0.16 C ATOM 328 O VAL A2067 3.563 -3.121 -1.501 1.00 0.17 O ATOM 329 CB VAL A2067 0.903 -2.669 0.456 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.143 -2.224 1.212 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.223 -1.668 0.660 1.00 0.22 C ATOM 0 H VAL A2067 -0.714 -3.673 -1.125 1.00 0.21 H new ATOM 0 HA VAL A2067 1.333 -1.884 -1.521 1.00 0.18 H new ATOM 0 HB VAL A2067 0.586 -3.634 0.853 1.00 0.19 H new ATOM 0 HG11 VAL A2067 1.900 -2.098 2.267 1.00 0.20 H new ATOM 0 HG12 VAL A2067 2.923 -2.978 1.106 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.496 -1.276 0.806 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.418 -1.552 1.726 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.065 -0.706 0.237 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -1.124 -2.028 0.164 1.00 0.22 H new ATOM 341 N ALA A2068 2.369 -4.958 -0.991 1.00 0.15 N ATOM 342 CA ALA A2068 3.492 -5.871 -1.052 1.00 0.15 C ATOM 343 C ALA A2068 4.092 -5.931 -2.455 1.00 0.14 C ATOM 344 O ALA A2068 5.293 -5.728 -2.628 1.00 0.13 O ATOM 345 CB ALA A2068 3.036 -7.242 -0.587 1.00 0.17 C ATOM 0 H ALA A2068 1.480 -5.409 -0.776 1.00 0.15 H new ATOM 0 HA ALA A2068 4.281 -5.510 -0.393 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.874 -7.938 -0.629 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.670 -7.176 0.438 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.236 -7.599 -1.235 1.00 0.17 H new ATOM 351 N ALA A2069 3.254 -6.198 -3.451 1.00 0.17 N ATOM 352 CA ALA A2069 3.687 -6.229 -4.842 1.00 0.18 C ATOM 353 C ALA A2069 4.239 -4.875 -5.266 1.00 0.19 C ATOM 354 O ALA A2069 5.118 -4.787 -6.127 1.00 0.21 O ATOM 355 CB ALA A2069 2.531 -6.627 -5.747 1.00 0.23 C ATOM 0 H ALA A2069 2.263 -6.398 -3.318 1.00 0.17 H new ATOM 0 HA ALA A2069 4.481 -6.970 -4.935 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.870 -6.646 -6.783 1.00 0.23 H new ATOM 0 HB2 ALA A2069 2.172 -7.617 -5.465 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.722 -5.904 -5.643 1.00 0.23 H new ATOM 361 N ALA A2070 3.729 -3.824 -4.636 1.00 0.19 N ATOM 362 CA ALA A2070 4.136 -2.472 -4.946 1.00 0.21 C ATOM 363 C ALA A2070 5.592 -2.263 -4.585 1.00 0.20 C ATOM 364 O ALA A2070 6.360 -1.720 -5.375 1.00 0.23 O ATOM 365 CB ALA A2070 3.257 -1.471 -4.214 1.00 0.24 C ATOM 0 H ALA A2070 3.026 -3.891 -3.900 1.00 0.19 H new ATOM 0 HA ALA A2070 4.020 -2.313 -6.018 1.00 0.21 H new ATOM 0 HB1 ALA A2070 3.577 -0.458 -4.459 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.219 -1.607 -4.519 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.343 -1.629 -3.139 1.00 0.24 H new ATOM 371 N THR A2071 5.986 -2.715 -3.399 1.00 0.18 N ATOM 372 CA THR A2071 7.345 -2.489 -2.955 1.00 0.21 C ATOM 373 C THR A2071 8.247 -3.592 -3.467 1.00 0.21 C ATOM 374 O THR A2071 9.425 -3.384 -3.696 1.00 0.27 O ATOM 375 CB THR A2071 7.447 -2.323 -1.431 1.00 0.22 C ATOM 376 OG1 THR A2071 8.752 -1.880 -1.061 1.00 0.28 O ATOM 377 CG2 THR A2071 7.125 -3.608 -0.706 1.00 0.23 C ATOM 0 H THR A2071 5.395 -3.228 -2.745 1.00 0.18 H new ATOM 0 HA THR A2071 7.682 -1.543 -3.378 1.00 0.21 H new ATOM 0 HB THR A2071 6.712 -1.573 -1.139 1.00 0.22 H new ATOM 0 HG1 THR A2071 8.799 -1.778 -0.087 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.208 -3.450 0.369 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.109 -3.918 -0.950 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.825 -4.385 -1.014 1.00 0.23 H new ATOM 385 N ALA A2072 7.675 -4.760 -3.696 1.00 0.18 N ATOM 386 CA ALA A2072 8.357 -5.802 -4.438 1.00 0.22 C ATOM 387 C ALA A2072 8.911 -5.207 -5.728 1.00 0.26 C ATOM 388 O ALA A2072 10.085 -5.378 -6.055 1.00 0.31 O ATOM 389 CB ALA A2072 7.372 -6.915 -4.737 1.00 0.22 C ATOM 0 H ALA A2072 6.739 -5.010 -3.378 1.00 0.18 H new ATOM 0 HA ALA A2072 9.184 -6.211 -3.858 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.874 -7.705 -5.295 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.986 -7.321 -3.802 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.546 -6.521 -5.329 1.00 0.22 H new ATOM 395 N THR A2073 8.060 -4.469 -6.424 1.00 0.27 N ATOM 396 CA THR A2073 8.451 -3.766 -7.629 1.00 0.34 C ATOM 397 C THR A2073 9.354 -2.568 -7.310 1.00 0.37 C ATOM 398 O THR A2073 10.404 -2.394 -7.925 1.00 0.43 O ATOM 399 CB THR A2073 7.201 -3.285 -8.385 1.00 0.38 C ATOM 400 OG1 THR A2073 6.375 -4.409 -8.719 1.00 0.40 O ATOM 401 CG2 THR A2073 7.584 -2.533 -9.645 1.00 0.46 C ATOM 0 H THR A2073 7.081 -4.343 -6.167 1.00 0.27 H new ATOM 0 HA THR A2073 9.014 -4.460 -8.254 1.00 0.34 H new ATOM 0 HB THR A2073 6.647 -2.605 -7.737 1.00 0.38 H new ATOM 0 HG1 THR A2073 5.861 -4.683 -7.931 1.00 0.40 H new ATOM 0 HG21 THR A2073 6.682 -2.204 -10.161 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.188 -1.665 -9.381 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.158 -3.189 -10.300 1.00 0.46 H new ATOM 409 N VAL A2074 8.940 -1.758 -6.337 1.00 0.36 N ATOM 410 CA VAL A2074 9.648 -0.554 -5.957 1.00 0.41 C ATOM 411 C VAL A2074 11.097 -0.832 -5.518 1.00 0.47 C ATOM 412 O VAL A2074 12.009 -0.081 -5.868 1.00 0.56 O ATOM 413 CB VAL A2074 8.828 0.152 -4.858 1.00 0.38 C ATOM 414 CG1 VAL A2074 9.602 0.371 -3.571 1.00 0.38 C ATOM 415 CG2 VAL A2074 8.254 1.447 -5.377 1.00 0.37 C ATOM 0 H VAL A2074 8.096 -1.927 -5.790 1.00 0.36 H new ATOM 0 HA VAL A2074 9.742 0.100 -6.824 1.00 0.41 H new ATOM 0 HB VAL A2074 8.011 -0.522 -4.600 1.00 0.38 H new ATOM 0 HG11 VAL A2074 8.964 0.872 -2.843 1.00 0.38 H new ATOM 0 HG12 VAL A2074 9.923 -0.591 -3.171 1.00 0.38 H new ATOM 0 HG13 VAL A2074 10.476 0.990 -3.773 1.00 0.38 H new ATOM 0 HG21 VAL A2074 7.678 1.932 -4.588 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.065 2.104 -5.691 1.00 0.37 H new ATOM 0 HG23 VAL A2074 7.603 1.242 -6.227 1.00 0.37 H new ATOM 425 N LEU A2075 11.316 -1.906 -4.768 1.00 0.43 N ATOM 426 CA LEU A2075 12.657 -2.270 -4.346 1.00 0.52 C ATOM 427 C LEU A2075 13.378 -2.985 -5.481 1.00 0.60 C ATOM 428 O LEU A2075 14.573 -2.790 -5.697 1.00 0.74 O ATOM 429 CB LEU A2075 12.595 -3.165 -3.111 1.00 0.49 C ATOM 430 CG LEU A2075 11.534 -2.759 -2.084 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.379 -3.814 -1.009 1.00 0.46 C ATOM 432 CD2 LEU A2075 11.852 -1.412 -1.464 1.00 0.52 C ATOM 0 H LEU A2075 10.583 -2.536 -4.442 1.00 0.43 H new ATOM 0 HA LEU A2075 13.208 -1.365 -4.091 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.401 -4.189 -3.430 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.571 -3.162 -2.626 1.00 0.49 H new ATOM 0 HG LEU A2075 10.586 -2.672 -2.615 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.619 -3.497 -0.295 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.077 -4.757 -1.465 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.329 -3.949 -0.492 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.080 -1.153 -0.740 1.00 0.52 H new ATOM 0 HD22 LEU A2075 12.818 -1.462 -0.962 1.00 0.52 H new ATOM 0 HD23 LEU A2075 11.887 -0.652 -2.244 1.00 0.52 H new ATOM 444 N GLY A2076 12.629 -3.799 -6.217 1.00 0.57 N ATOM 445 CA GLY A2076 13.185 -4.481 -7.367 1.00 0.67 C ATOM 446 C GLY A2076 13.305 -5.980 -7.171 1.00 0.65 C ATOM 447 O GLY A2076 13.945 -6.659 -7.969 1.00 0.93 O ATOM 0 H GLY A2076 11.645 -3.998 -6.036 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.558 -4.284 -8.237 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.171 -4.069 -7.584 1.00 0.67 H new ATOM 451 N HIS A2077 12.683 -6.508 -6.121 1.00 0.51 N ATOM 452 CA HIS A2077 12.784 -7.938 -5.840 1.00 0.66 C ATOM 453 C HIS A2077 11.542 -8.688 -6.321 1.00 0.68 C ATOM 454 O HIS A2077 11.487 -9.913 -6.272 1.00 0.97 O ATOM 455 CB HIS A2077 13.069 -8.191 -4.354 1.00 0.81 C ATOM 456 CG HIS A2077 11.931 -7.994 -3.416 1.00 0.50 C ATOM 457 ND1 HIS A2077 11.159 -9.027 -2.951 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.495 -6.885 -2.791 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.297 -8.558 -2.077 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.479 -7.257 -1.955 1.00 0.80 N ATOM 0 H HIS A2077 12.113 -5.979 -5.461 1.00 0.51 H new ATOM 0 HA HIS A2077 13.631 -8.332 -6.402 1.00 0.66 H new ATOM 0 HB2 HIS A2077 13.427 -9.215 -4.245 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.882 -7.534 -4.046 1.00 0.81 H new ATOM 0 HD1 HIS A2077 11.241 -10.003 -3.237 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.878 -5.884 -2.925 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.560 -9.142 -1.546 1.00 0.61 H new ATOM 469 N HIS A2078 10.543 -7.922 -6.758 1.00 0.62 N ATOM 470 CA HIS A2078 9.396 -8.431 -7.525 1.00 0.69 C ATOM 471 C HIS A2078 8.408 -9.291 -6.726 1.00 0.80 C ATOM 472 O HIS A2078 7.216 -9.275 -7.025 1.00 1.56 O ATOM 473 CB HIS A2078 9.868 -9.182 -8.772 1.00 0.81 C ATOM 474 CG HIS A2078 10.497 -8.287 -9.795 1.00 0.88 C ATOM 475 ND1 HIS A2078 9.765 -7.495 -10.648 1.00 0.93 N ATOM 476 CD2 HIS A2078 11.797 -8.036 -10.079 1.00 0.96 C ATOM 477 CE1 HIS A2078 10.581 -6.795 -11.409 1.00 1.03 C ATOM 478 NE2 HIS A2078 11.822 -7.104 -11.086 1.00 1.05 N ATOM 0 H HIS A2078 10.503 -6.917 -6.589 1.00 0.62 H new ATOM 0 HA HIS A2078 8.835 -7.541 -7.812 1.00 0.69 H new ATOM 0 HB2 HIS A2078 10.586 -9.948 -8.478 1.00 0.81 H new ATOM 0 HB3 HIS A2078 9.019 -9.697 -9.222 1.00 0.81 H new ATOM 0 HD2 HIS A2078 12.655 -8.486 -9.602 1.00 0.96 H new ATOM 0 HE1 HIS A2078 10.284 -6.088 -12.169 1.00 1.03 H new ATOM 0 HE2 HIS A2078 12.662 -6.714 -11.514 1.00 1.05 H new ATOM 487 N THR A2079 8.865 -10.033 -5.726 1.00 0.64 N ATOM 488 CA THR A2079 7.954 -10.881 -4.967 1.00 0.67 C ATOM 489 C THR A2079 7.185 -10.119 -3.894 1.00 0.44 C ATOM 490 O THR A2079 7.773 -9.460 -3.043 1.00 0.54 O ATOM 491 CB THR A2079 8.650 -12.027 -4.257 1.00 1.02 C ATOM 492 OG1 THR A2079 9.830 -11.560 -3.600 1.00 1.82 O ATOM 493 CG2 THR A2079 8.982 -13.158 -5.197 1.00 0.59 C ATOM 0 H THR A2079 9.839 -10.066 -5.426 1.00 0.64 H new ATOM 0 HA THR A2079 7.276 -11.263 -5.730 1.00 0.67 H new ATOM 0 HB THR A2079 7.957 -12.419 -3.512 1.00 1.02 H new ATOM 0 HG1 THR A2079 10.352 -12.326 -3.281 1.00 1.82 H new ATOM 0 HG21 THR A2079 9.479 -13.956 -4.645 1.00 0.59 H new ATOM 0 HG22 THR A2079 8.064 -13.542 -5.643 1.00 0.59 H new ATOM 0 HG23 THR A2079 9.643 -12.795 -5.984 1.00 0.59 H new ATOM 501 N PRO A2080 5.860 -10.218 -3.908 1.00 0.29 N ATOM 502 CA PRO A2080 4.998 -9.660 -2.874 1.00 0.32 C ATOM 503 C PRO A2080 4.850 -10.623 -1.700 1.00 0.45 C ATOM 504 O PRO A2080 4.378 -10.255 -0.628 1.00 0.51 O ATOM 505 CB PRO A2080 3.654 -9.484 -3.605 1.00 0.39 C ATOM 506 CG PRO A2080 3.945 -9.825 -5.031 1.00 0.39 C ATOM 507 CD PRO A2080 5.064 -10.818 -4.962 1.00 0.32 C ATOM 0 HA PRO A2080 5.387 -8.735 -2.448 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.889 -10.141 -3.190 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.283 -8.463 -3.510 1.00 0.39 H new ATOM 0 HG2 PRO A2080 3.070 -10.248 -5.524 1.00 0.39 H new ATOM 0 HG3 PRO A2080 4.234 -8.941 -5.599 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.719 -11.820 -4.706 1.00 0.32 H new ATOM 0 HD3 PRO A2080 5.609 -10.899 -5.902 1.00 0.32 H new ATOM 515 N GLU A2081 5.271 -11.864 -1.916 1.00 0.53 N ATOM 516 CA GLU A2081 5.206 -12.880 -0.879 1.00 0.64 C ATOM 517 C GLU A2081 6.411 -12.777 0.046 1.00 0.56 C ATOM 518 O GLU A2081 6.388 -13.278 1.168 1.00 0.70 O ATOM 519 CB GLU A2081 5.131 -14.277 -1.500 1.00 0.84 C ATOM 520 CG GLU A2081 6.332 -14.633 -2.360 1.00 0.93 C ATOM 521 CD GLU A2081 6.211 -16.010 -2.974 1.00 1.28 C ATOM 522 OE1 GLU A2081 5.778 -16.110 -4.141 1.00 1.54 O ATOM 523 OE2 GLU A2081 6.557 -16.997 -2.296 1.00 1.45 O ATOM 0 H GLU A2081 5.661 -12.188 -2.801 1.00 0.53 H new ATOM 0 HA GLU A2081 4.303 -12.713 -0.292 1.00 0.64 H new ATOM 0 HB2 GLU A2081 5.036 -15.014 -0.702 1.00 0.84 H new ATOM 0 HB3 GLU A2081 4.228 -14.346 -2.107 1.00 0.84 H new ATOM 0 HG2 GLU A2081 6.441 -13.893 -3.153 1.00 0.93 H new ATOM 0 HG3 GLU A2081 7.237 -14.586 -1.754 1.00 0.93 H new ATOM 530 N SER A2082 7.458 -12.108 -0.425 1.00 0.43 N ATOM 531 CA SER A2082 8.659 -11.913 0.376 1.00 0.43 C ATOM 532 C SER A2082 8.576 -10.586 1.133 1.00 0.33 C ATOM 533 O SER A2082 9.585 -10.017 1.548 1.00 0.38 O ATOM 534 CB SER A2082 9.893 -11.959 -0.524 1.00 0.54 C ATOM 535 OG SER A2082 11.097 -11.980 0.229 1.00 0.63 O ATOM 0 H SER A2082 7.498 -11.693 -1.356 1.00 0.43 H new ATOM 0 HA SER A2082 8.740 -12.715 1.110 1.00 0.43 H new ATOM 0 HB2 SER A2082 9.846 -12.844 -1.159 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.893 -11.092 -1.185 1.00 0.54 H new ATOM 0 HG SER A2082 11.034 -11.336 0.965 1.00 0.63 H new ATOM 541 N ILE A2083 7.355 -10.103 1.304 1.00 0.25 N ATOM 542 CA ILE A2083 7.110 -8.835 1.976 1.00 0.17 C ATOM 543 C ILE A2083 6.548 -9.077 3.372 1.00 0.15 C ATOM 544 O ILE A2083 5.403 -9.504 3.524 1.00 0.22 O ATOM 545 CB ILE A2083 6.114 -7.973 1.171 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.529 -7.927 -0.299 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.033 -6.560 1.743 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.726 -7.052 -0.569 1.00 0.22 C ATOM 0 H ILE A2083 6.510 -10.575 0.983 1.00 0.25 H new ATOM 0 HA ILE A2083 8.060 -8.306 2.051 1.00 0.17 H new ATOM 0 HB ILE A2083 5.126 -8.427 1.246 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.748 -8.940 -0.636 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.688 -7.569 -0.893 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.325 -5.971 1.160 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.699 -6.606 2.780 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.017 -6.093 1.699 1.00 0.12 H new ATOM 0 HD11 ILE A2083 7.958 -7.072 -1.634 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.505 -6.029 -0.265 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.582 -7.422 -0.004 1.00 0.22 H new ATOM 560 N SER A2084 7.360 -8.819 4.385 1.00 0.14 N ATOM 561 CA SER A2084 6.948 -9.011 5.767 1.00 0.14 C ATOM 562 C SER A2084 6.226 -7.771 6.292 1.00 0.12 C ATOM 563 O SER A2084 6.825 -6.702 6.395 1.00 0.12 O ATOM 564 CB SER A2084 8.172 -9.315 6.627 1.00 0.19 C ATOM 565 OG SER A2084 8.848 -10.469 6.148 1.00 0.28 O ATOM 0 H SER A2084 8.314 -8.474 4.275 1.00 0.14 H new ATOM 0 HA SER A2084 6.256 -9.852 5.816 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.849 -8.461 6.619 1.00 0.19 H new ATOM 0 HB3 SER A2084 7.866 -9.470 7.662 1.00 0.19 H new ATOM 0 HG SER A2084 9.630 -10.647 6.711 1.00 0.28 H new ATOM 571 N PRO A2085 4.928 -7.901 6.626 1.00 0.12 N ATOM 572 CA PRO A2085 4.113 -6.777 7.100 1.00 0.12 C ATOM 573 C PRO A2085 4.570 -6.241 8.438 1.00 0.12 C ATOM 574 O PRO A2085 4.366 -5.066 8.749 1.00 0.13 O ATOM 575 CB PRO A2085 2.708 -7.356 7.238 1.00 0.15 C ATOM 576 CG PRO A2085 2.891 -8.836 7.305 1.00 0.15 C ATOM 577 CD PRO A2085 4.155 -9.151 6.557 1.00 0.14 C ATOM 0 HA PRO A2085 4.180 -5.938 6.408 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.215 -6.981 8.135 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.083 -7.076 6.390 1.00 0.15 H new ATOM 0 HG2 PRO A2085 2.961 -9.170 8.340 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.040 -9.351 6.860 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.694 -9.980 7.015 1.00 0.14 H new ATOM 0 HD3 PRO A2085 3.948 -9.436 5.526 1.00 0.14 H new ATOM 585 N ALA A2086 5.166 -7.110 9.229 1.00 0.11 N ATOM 586 CA ALA A2086 5.630 -6.724 10.548 1.00 0.12 C ATOM 587 C ALA A2086 6.967 -6.004 10.463 1.00 0.11 C ATOM 588 O ALA A2086 7.339 -5.245 11.360 1.00 0.14 O ATOM 589 CB ALA A2086 5.736 -7.937 11.451 1.00 0.14 C ATOM 0 H ALA A2086 5.340 -8.085 8.984 1.00 0.11 H new ATOM 0 HA ALA A2086 4.901 -6.037 10.976 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.086 -7.628 12.436 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.757 -8.408 11.544 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.442 -8.649 11.023 1.00 0.14 H new ATOM 595 N THR A2087 7.692 -6.256 9.386 1.00 0.10 N ATOM 596 CA THR A2087 8.917 -5.544 9.122 1.00 0.11 C ATOM 597 C THR A2087 8.582 -4.197 8.521 1.00 0.10 C ATOM 598 O THR A2087 7.613 -4.052 7.780 1.00 0.10 O ATOM 599 CB THR A2087 9.826 -6.302 8.145 1.00 0.14 C ATOM 600 OG1 THR A2087 10.061 -7.634 8.622 1.00 0.16 O ATOM 601 CG2 THR A2087 11.155 -5.577 7.935 1.00 0.16 C ATOM 0 H THR A2087 7.447 -6.952 8.682 1.00 0.10 H new ATOM 0 HA THR A2087 9.449 -5.436 10.067 1.00 0.11 H new ATOM 0 HB THR A2087 9.316 -6.348 7.183 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.640 -8.110 7.991 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.772 -6.143 7.237 1.00 0.16 H new ATOM 0 HG22 THR A2087 10.967 -4.583 7.529 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.675 -5.487 8.889 1.00 0.16 H new ATOM 609 N ALA A2088 9.395 -3.233 8.833 1.00 0.12 N ATOM 610 CA ALA A2088 9.193 -1.889 8.354 1.00 0.12 C ATOM 611 C ALA A2088 9.815 -1.740 6.987 1.00 0.11 C ATOM 612 O ALA A2088 10.841 -2.353 6.695 1.00 0.12 O ATOM 613 CB ALA A2088 9.771 -0.879 9.323 1.00 0.15 C ATOM 0 H ALA A2088 10.217 -3.350 9.425 1.00 0.12 H new ATOM 0 HA ALA A2088 8.123 -1.698 8.278 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.606 0.128 8.940 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.282 -0.983 10.292 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.841 -1.054 9.436 1.00 0.15 H new ATOM 619 N PHE A2089 9.179 -0.935 6.156 1.00 0.10 N ATOM 620 CA PHE A2089 9.643 -0.702 4.791 1.00 0.09 C ATOM 621 C PHE A2089 11.117 -0.324 4.749 1.00 0.09 C ATOM 622 O PHE A2089 11.824 -0.677 3.807 1.00 0.12 O ATOM 623 CB PHE A2089 8.818 0.392 4.134 1.00 0.09 C ATOM 624 CG PHE A2089 7.501 -0.087 3.603 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.447 -0.884 2.475 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.316 0.270 4.225 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.236 -1.314 1.977 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.103 -0.160 3.730 1.00 0.12 C ATOM 629 CZ PHE A2089 5.064 -0.995 2.641 1.00 0.10 C ATOM 0 H PHE A2089 8.331 -0.425 6.401 1.00 0.10 H new ATOM 0 HA PHE A2089 9.519 -1.636 4.243 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.641 1.187 4.859 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.393 0.828 3.317 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.362 -1.172 1.979 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.342 0.892 5.107 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.201 -1.899 1.070 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.184 0.160 4.199 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.122 -1.402 2.303 1.00 0.10 H new ATOM 639 N LYS A2090 11.561 0.415 5.756 1.00 0.12 N ATOM 640 CA LYS A2090 12.963 0.708 5.945 1.00 0.16 C ATOM 641 C LYS A2090 13.795 -0.562 5.832 1.00 0.17 C ATOM 642 O LYS A2090 14.601 -0.714 4.915 1.00 0.20 O ATOM 643 CB LYS A2090 13.169 1.320 7.326 1.00 0.21 C ATOM 644 CG LYS A2090 14.623 1.462 7.711 1.00 0.29 C ATOM 645 CD LYS A2090 15.345 2.380 6.759 1.00 0.38 C ATOM 646 CE LYS A2090 16.312 1.605 5.890 1.00 1.54 C ATOM 647 NZ LYS A2090 17.148 2.489 5.037 1.00 1.69 N ATOM 0 H LYS A2090 10.952 0.826 6.463 1.00 0.12 H new ATOM 0 HA LYS A2090 13.281 1.408 5.173 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.696 2.302 7.354 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.664 0.702 8.068 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.698 1.852 8.726 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.101 0.482 7.710 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.622 2.900 6.131 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.885 3.142 7.321 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.960 1.000 6.524 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.753 0.917 5.256 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.792 1.909 4.462 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 16.534 3.049 4.411 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 17.703 3.129 5.640 1.00 1.69 H new ATOM 661 N ASP A2091 13.569 -1.471 6.768 1.00 0.17 N ATOM 662 CA ASP A2091 14.304 -2.730 6.821 1.00 0.20 C ATOM 663 C ASP A2091 14.100 -3.546 5.547 1.00 0.20 C ATOM 664 O ASP A2091 14.936 -4.373 5.183 1.00 0.32 O ATOM 665 CB ASP A2091 13.889 -3.549 8.044 1.00 0.24 C ATOM 666 CG ASP A2091 14.302 -2.899 9.348 1.00 1.23 C ATOM 667 OD1 ASP A2091 13.424 -2.353 10.047 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.506 -2.923 9.679 1.00 1.15 O ATOM 0 H ASP A2091 12.876 -1.360 7.509 1.00 0.17 H new ATOM 0 HA ASP A2091 15.364 -2.489 6.904 1.00 0.20 H new ATOM 0 HB2 ASP A2091 12.807 -3.684 8.036 1.00 0.24 H new ATOM 0 HB3 ASP A2091 14.335 -4.542 7.980 1.00 0.24 H new ATOM 673 N LEU A2092 12.990 -3.297 4.870 1.00 0.16 N ATOM 674 CA LEU A2092 12.659 -3.994 3.641 1.00 0.18 C ATOM 675 C LEU A2092 13.395 -3.412 2.434 1.00 0.19 C ATOM 676 O LEU A2092 13.413 -4.020 1.368 1.00 0.24 O ATOM 677 CB LEU A2092 11.148 -3.960 3.435 1.00 0.17 C ATOM 678 CG LEU A2092 10.368 -4.683 4.532 1.00 0.19 C ATOM 679 CD1 LEU A2092 8.875 -4.451 4.412 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.670 -6.165 4.491 1.00 0.23 C ATOM 0 H LEU A2092 12.296 -2.607 5.158 1.00 0.16 H new ATOM 0 HA LEU A2092 12.988 -5.029 3.732 1.00 0.18 H new ATOM 0 HB2 LEU A2092 10.819 -2.922 3.390 1.00 0.17 H new ATOM 0 HB3 LEU A2092 10.910 -4.412 2.472 1.00 0.17 H new ATOM 0 HG LEU A2092 10.688 -4.272 5.490 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.359 -4.983 5.211 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.665 -3.384 4.491 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.526 -4.819 3.447 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.110 -6.672 5.276 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.381 -6.569 3.521 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.737 -6.323 4.647 1.00 0.23 H new ATOM 692 N GLY A2093 14.001 -2.239 2.601 1.00 0.16 N ATOM 693 CA GLY A2093 14.853 -1.700 1.555 1.00 0.18 C ATOM 694 C GLY A2093 14.384 -0.371 0.990 1.00 0.15 C ATOM 695 O GLY A2093 14.996 0.155 0.057 1.00 0.20 O ATOM 0 H GLY A2093 13.918 -1.657 3.434 1.00 0.16 H new ATOM 0 HA2 GLY A2093 15.861 -1.578 1.951 1.00 0.18 H new ATOM 0 HA3 GLY A2093 14.915 -2.425 0.743 1.00 0.18 H new ATOM 699 N ILE A2094 13.303 0.174 1.534 1.00 0.13 N ATOM 700 CA ILE A2094 12.757 1.430 1.051 1.00 0.12 C ATOM 701 C ILE A2094 13.700 2.617 1.259 1.00 0.12 C ATOM 702 O ILE A2094 14.238 2.829 2.349 1.00 0.16 O ATOM 703 CB ILE A2094 11.394 1.694 1.717 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.306 0.953 0.944 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.094 3.181 1.822 1.00 0.18 C ATOM 706 CD1 ILE A2094 9.981 1.564 -0.397 1.00 0.32 C ATOM 0 H ILE A2094 12.788 -0.238 2.312 1.00 0.13 H new ATOM 0 HA ILE A2094 12.629 1.332 -0.027 1.00 0.12 H new ATOM 0 HB ILE A2094 11.423 1.317 2.739 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.620 -0.080 0.794 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.399 0.926 1.549 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.124 3.324 2.297 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.866 3.667 2.419 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.077 3.620 0.825 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.200 0.980 -0.883 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.634 2.588 -0.256 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.874 1.566 -1.022 1.00 0.32 H new ATOM 718 N ASP A2095 13.889 3.377 0.185 1.00 0.15 N ATOM 719 CA ASP A2095 14.640 4.627 0.222 1.00 0.19 C ATOM 720 C ASP A2095 13.651 5.792 0.188 1.00 0.16 C ATOM 721 O ASP A2095 12.463 5.565 -0.012 1.00 0.17 O ATOM 722 CB ASP A2095 15.604 4.695 -0.974 1.00 0.28 C ATOM 723 CG ASP A2095 16.381 5.996 -1.050 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.338 6.171 -0.263 1.00 1.23 O ATOM 725 OD2 ASP A2095 16.046 6.843 -1.899 1.00 1.86 O ATOM 0 H ASP A2095 13.524 3.143 -0.738 1.00 0.15 H new ATOM 0 HA ASP A2095 15.232 4.683 1.136 1.00 0.19 H new ATOM 0 HB2 ASP A2095 16.307 3.864 -0.912 1.00 0.28 H new ATOM 0 HB3 ASP A2095 15.037 4.565 -1.896 1.00 0.28 H new ATOM 730 N SER A2096 14.113 7.018 0.384 1.00 0.19 N ATOM 731 CA SER A2096 13.221 8.172 0.373 1.00 0.20 C ATOM 732 C SER A2096 12.468 8.274 -0.957 1.00 0.17 C ATOM 733 O SER A2096 11.265 8.549 -0.984 1.00 0.20 O ATOM 734 CB SER A2096 14.015 9.450 0.642 1.00 0.26 C ATOM 735 OG SER A2096 15.114 9.566 -0.245 1.00 1.32 O ATOM 0 H SER A2096 15.094 7.241 0.552 1.00 0.19 H new ATOM 0 HA SER A2096 12.482 8.043 1.164 1.00 0.20 H new ATOM 0 HB2 SER A2096 13.363 10.316 0.533 1.00 0.26 H new ATOM 0 HB3 SER A2096 14.373 9.449 1.671 1.00 0.26 H new ATOM 0 HG SER A2096 15.604 10.393 -0.052 1.00 1.32 H new ATOM 741 N LEU A2097 13.183 8.028 -2.051 1.00 0.17 N ATOM 742 CA LEU A2097 12.622 8.039 -3.373 1.00 0.19 C ATOM 743 C LEU A2097 11.541 6.999 -3.498 1.00 0.18 C ATOM 744 O LEU A2097 10.412 7.302 -3.853 1.00 0.24 O ATOM 745 CB LEU A2097 13.742 7.717 -4.331 1.00 0.23 C ATOM 746 CG LEU A2097 13.530 8.137 -5.762 1.00 1.07 C ATOM 747 CD1 LEU A2097 13.282 9.632 -5.834 1.00 1.61 C ATOM 748 CD2 LEU A2097 14.749 7.748 -6.558 1.00 1.55 C ATOM 0 H LEU A2097 14.180 7.814 -2.030 1.00 0.17 H new ATOM 0 HA LEU A2097 12.180 9.012 -3.589 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.653 8.191 -3.966 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.912 6.641 -4.311 1.00 0.23 H new ATOM 0 HG LEU A2097 12.655 7.638 -6.179 1.00 1.07 H new ATOM 0 HD11 LEU A2097 13.130 9.926 -6.873 1.00 1.61 H new ATOM 0 HD12 LEU A2097 12.395 9.882 -5.252 1.00 1.61 H new ATOM 0 HD13 LEU A2097 14.143 10.164 -5.429 1.00 1.61 H new ATOM 0 HD21 LEU A2097 14.614 8.044 -7.598 1.00 1.55 H new ATOM 0 HD22 LEU A2097 15.626 8.249 -6.149 1.00 1.55 H new ATOM 0 HD23 LEU A2097 14.890 6.669 -6.504 1.00 1.55 H new ATOM 760 N THR A2098 11.893 5.770 -3.198 1.00 0.14 N ATOM 761 CA THR A2098 10.955 4.685 -3.313 1.00 0.15 C ATOM 762 C THR A2098 9.829 4.760 -2.300 1.00 0.16 C ATOM 763 O THR A2098 8.749 4.234 -2.541 1.00 0.17 O ATOM 764 CB THR A2098 11.639 3.329 -3.263 1.00 0.15 C ATOM 765 OG1 THR A2098 12.910 3.430 -2.600 1.00 0.17 O ATOM 766 CG2 THR A2098 11.804 2.822 -4.679 1.00 0.19 C ATOM 0 H THR A2098 12.821 5.500 -2.873 1.00 0.14 H new ATOM 0 HA THR A2098 10.502 4.797 -4.298 1.00 0.15 H new ATOM 0 HB THR A2098 11.030 2.626 -2.695 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.337 2.548 -2.575 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.294 1.848 -4.662 1.00 0.19 H new ATOM 0 HG22 THR A2098 10.825 2.727 -5.148 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.413 3.525 -5.248 1.00 0.19 H new ATOM 774 N ALA A2099 10.067 5.405 -1.169 1.00 0.16 N ATOM 775 CA ALA A2099 8.986 5.702 -0.242 1.00 0.18 C ATOM 776 C ALA A2099 7.952 6.580 -0.938 1.00 0.21 C ATOM 777 O ALA A2099 6.774 6.602 -0.584 1.00 0.24 O ATOM 778 CB ALA A2099 9.514 6.388 1.007 1.00 0.18 C ATOM 0 H ALA A2099 10.987 5.730 -0.873 1.00 0.16 H new ATOM 0 HA ALA A2099 8.518 4.767 0.067 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.686 6.599 1.684 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.232 5.736 1.504 1.00 0.18 H new ATOM 0 HB3 ALA A2099 10.003 7.322 0.730 1.00 0.18 H new ATOM 784 N LEU A2100 8.415 7.288 -1.954 1.00 0.20 N ATOM 785 CA LEU A2100 7.566 8.137 -2.755 1.00 0.24 C ATOM 786 C LEU A2100 7.025 7.334 -3.937 1.00 0.20 C ATOM 787 O LEU A2100 5.857 7.458 -4.301 1.00 0.21 O ATOM 788 CB LEU A2100 8.371 9.365 -3.210 1.00 0.30 C ATOM 789 CG LEU A2100 8.285 9.706 -4.695 1.00 0.24 C ATOM 790 CD1 LEU A2100 6.954 10.363 -5.021 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.437 10.595 -5.108 1.00 1.15 C ATOM 0 H LEU A2100 9.393 7.287 -2.243 1.00 0.20 H new ATOM 0 HA LEU A2100 6.713 8.491 -2.176 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.033 10.229 -2.638 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.418 9.204 -2.954 1.00 0.30 H new ATOM 0 HG LEU A2100 8.352 8.777 -5.261 1.00 0.24 H new ATOM 0 HD11 LEU A2100 6.915 10.597 -6.085 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.141 9.682 -4.769 1.00 1.03 H new ATOM 0 HD13 LEU A2100 6.850 11.281 -4.443 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.356 10.826 -6.170 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.407 11.520 -4.532 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.379 10.081 -4.919 1.00 1.15 H new ATOM 803 N GLU A2101 7.881 6.486 -4.507 1.00 0.21 N ATOM 804 CA GLU A2101 7.514 5.664 -5.655 1.00 0.20 C ATOM 805 C GLU A2101 6.454 4.644 -5.272 1.00 0.17 C ATOM 806 O GLU A2101 5.584 4.307 -6.072 1.00 0.17 O ATOM 807 CB GLU A2101 8.740 4.944 -6.199 1.00 0.23 C ATOM 808 CG GLU A2101 9.897 5.876 -6.493 1.00 0.28 C ATOM 809 CD GLU A2101 11.012 5.208 -7.273 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.158 5.198 -6.781 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.750 4.674 -8.368 1.00 0.45 O ATOM 0 H GLU A2101 8.840 6.352 -4.188 1.00 0.21 H new ATOM 0 HA GLU A2101 7.108 6.320 -6.425 1.00 0.20 H new ATOM 0 HB2 GLU A2101 9.062 4.192 -5.478 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.467 4.414 -7.112 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.531 6.734 -7.056 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.297 6.258 -5.554 1.00 0.28 H new ATOM 818 N LEU A2102 6.539 4.146 -4.048 1.00 0.16 N ATOM 819 CA LEU A2102 5.585 3.232 -3.533 1.00 0.16 C ATOM 820 C LEU A2102 4.245 3.918 -3.400 1.00 0.16 C ATOM 821 O LEU A2102 3.230 3.443 -3.899 1.00 0.21 O ATOM 822 CB LEU A2102 6.087 2.756 -2.186 1.00 0.22 C ATOM 823 CG LEU A2102 5.440 1.494 -1.725 1.00 0.53 C ATOM 824 CD1 LEU A2102 5.575 0.456 -2.804 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.059 1.008 -0.442 1.00 1.13 C ATOM 0 H LEU A2102 7.286 4.380 -3.394 1.00 0.16 H new ATOM 0 HA LEU A2102 5.457 2.380 -4.201 1.00 0.16 H new ATOM 0 HB2 LEU A2102 7.165 2.604 -2.241 1.00 0.22 H new ATOM 0 HB3 LEU A2102 5.913 3.536 -1.445 1.00 0.22 H new ATOM 0 HG LEU A2102 4.385 1.683 -1.528 1.00 0.53 H new ATOM 0 HD11 LEU A2102 5.105 -0.472 -2.477 1.00 1.09 H new ATOM 0 HD12 LEU A2102 5.087 0.810 -3.712 1.00 1.09 H new ATOM 0 HD13 LEU A2102 6.631 0.276 -3.006 1.00 1.09 H new ATOM 0 HD21 LEU A2102 5.569 0.086 -0.128 1.00 1.13 H new ATOM 0 HD22 LEU A2102 7.121 0.819 -0.599 1.00 1.13 H new ATOM 0 HD23 LEU A2102 5.936 1.766 0.331 1.00 1.13 H new ATOM 837 N ARG A2103 4.273 5.053 -2.726 1.00 0.18 N ATOM 838 CA ARG A2103 3.138 5.951 -2.649 1.00 0.25 C ATOM 839 C ARG A2103 2.556 6.209 -4.039 1.00 0.22 C ATOM 840 O ARG A2103 1.339 6.241 -4.212 1.00 0.24 O ATOM 841 CB ARG A2103 3.600 7.255 -1.991 1.00 0.37 C ATOM 842 CG ARG A2103 2.636 8.417 -2.126 1.00 0.72 C ATOM 843 CD ARG A2103 2.924 9.254 -3.368 1.00 0.65 C ATOM 844 NE ARG A2103 2.086 10.446 -3.427 1.00 1.21 N ATOM 845 CZ ARG A2103 2.176 11.382 -4.369 1.00 1.49 C ATOM 846 NH1 ARG A2103 3.020 11.245 -5.383 1.00 1.92 N ATOM 847 NH2 ARG A2103 1.401 12.454 -4.299 1.00 2.11 N ATOM 0 H ARG A2103 5.092 5.379 -2.213 1.00 0.18 H new ATOM 0 HA ARG A2103 2.346 5.501 -2.050 1.00 0.25 H new ATOM 0 HB2 ARG A2103 3.774 7.068 -0.931 1.00 0.37 H new ATOM 0 HB3 ARG A2103 4.557 7.544 -2.425 1.00 0.37 H new ATOM 0 HG2 ARG A2103 1.615 8.038 -2.172 1.00 0.72 H new ATOM 0 HG3 ARG A2103 2.702 9.048 -1.240 1.00 0.72 H new ATOM 0 HD2 ARG A2103 3.974 9.548 -3.372 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.758 8.649 -4.260 1.00 0.65 H new ATOM 0 HE ARG A2103 1.384 10.571 -2.698 1.00 1.21 H new ATOM 0 HH11 ARG A2103 3.610 10.415 -5.447 1.00 1.92 H new ATOM 0 HH12 ARG A2103 3.079 11.970 -6.098 1.00 1.92 H new ATOM 0 HH21 ARG A2103 0.742 12.557 -3.527 1.00 2.11 H new ATOM 0 HH22 ARG A2103 1.463 13.176 -5.017 1.00 2.11 H new ATOM 861 N ASN A2104 3.437 6.388 -5.017 1.00 0.21 N ATOM 862 CA ASN A2104 3.040 6.590 -6.399 1.00 0.22 C ATOM 863 C ASN A2104 2.215 5.409 -6.904 1.00 0.23 C ATOM 864 O ASN A2104 1.128 5.592 -7.450 1.00 0.29 O ATOM 865 CB ASN A2104 4.288 6.795 -7.268 1.00 0.23 C ATOM 866 CG ASN A2104 4.835 8.207 -7.183 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.103 9.154 -6.890 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.121 8.366 -7.466 1.00 0.36 N ATOM 0 H ASN A2104 4.446 6.397 -4.870 1.00 0.21 H new ATOM 0 HA ASN A2104 2.415 7.481 -6.462 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.061 6.091 -6.959 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.045 6.566 -8.306 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.536 9.297 -7.445 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.695 7.557 -7.704 1.00 0.36 H new ATOM 875 N THR A2105 2.719 4.202 -6.688 1.00 0.21 N ATOM 876 CA THR A2105 2.024 2.993 -7.103 1.00 0.24 C ATOM 877 C THR A2105 0.713 2.803 -6.330 1.00 0.22 C ATOM 878 O THR A2105 -0.332 2.541 -6.929 1.00 0.24 O ATOM 879 CB THR A2105 2.922 1.755 -6.918 1.00 0.28 C ATOM 880 OG1 THR A2105 4.168 1.956 -7.601 1.00 0.33 O ATOM 881 CG2 THR A2105 2.245 0.503 -7.457 1.00 0.28 C ATOM 0 H THR A2105 3.612 4.034 -6.225 1.00 0.21 H new ATOM 0 HA THR A2105 1.785 3.105 -8.160 1.00 0.24 H new ATOM 0 HB THR A2105 3.101 1.619 -5.851 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.691 2.640 -7.133 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.901 -0.356 -7.314 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.309 0.338 -6.924 1.00 0.28 H new ATOM 0 HG23 THR A2105 2.040 0.629 -8.520 1.00 0.28 H new ATOM 889 N LEU A2106 0.767 2.936 -5.004 1.00 0.20 N ATOM 890 CA LEU A2106 -0.424 2.804 -4.169 1.00 0.19 C ATOM 891 C LEU A2106 -1.493 3.829 -4.535 1.00 0.18 C ATOM 892 O LEU A2106 -2.647 3.464 -4.735 1.00 0.22 O ATOM 893 CB LEU A2106 -0.080 2.935 -2.677 1.00 0.28 C ATOM 894 CG LEU A2106 0.395 1.653 -1.978 1.00 0.50 C ATOM 895 CD1 LEU A2106 -0.482 0.481 -2.366 1.00 1.25 C ATOM 896 CD2 LEU A2106 1.847 1.353 -2.297 1.00 1.47 C ATOM 0 H LEU A2106 1.623 3.135 -4.487 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.822 1.807 -4.356 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.696 3.692 -2.569 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.961 3.305 -2.153 1.00 0.28 H new ATOM 0 HG LEU A2106 0.315 1.813 -0.903 1.00 0.50 H new ATOM 0 HD11 LEU A2106 -0.131 -0.419 -1.861 1.00 1.25 H new ATOM 0 HD12 LEU A2106 -1.512 0.684 -2.071 1.00 1.25 H new ATOM 0 HD13 LEU A2106 -0.436 0.333 -3.445 1.00 1.25 H new ATOM 0 HD21 LEU A2106 2.150 0.439 -1.786 1.00 1.47 H new ATOM 0 HD22 LEU A2106 1.964 1.223 -3.373 1.00 1.47 H new ATOM 0 HD23 LEU A2106 2.472 2.181 -1.962 1.00 1.47 H new ATOM 908 N THR A2107 -1.117 5.101 -4.628 1.00 0.19 N ATOM 909 CA THR A2107 -2.083 6.159 -4.915 1.00 0.27 C ATOM 910 C THR A2107 -2.693 5.960 -6.308 1.00 0.29 C ATOM 911 O THR A2107 -3.834 6.336 -6.562 1.00 0.33 O ATOM 912 CB THR A2107 -1.443 7.570 -4.782 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.426 8.523 -4.371 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.818 8.049 -6.085 1.00 0.44 C ATOM 0 H THR A2107 -0.157 5.424 -4.510 1.00 0.19 H new ATOM 0 HA THR A2107 -2.881 6.096 -4.175 1.00 0.27 H new ATOM 0 HB THR A2107 -0.655 7.485 -4.034 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.130 8.580 -5.050 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.385 9.039 -5.939 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.037 7.353 -6.391 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.584 8.099 -6.859 1.00 0.44 H new ATOM 922 N HIS A2108 -1.918 5.340 -7.188 1.00 0.29 N ATOM 923 CA HIS A2108 -2.363 5.005 -8.536 1.00 0.35 C ATOM 924 C HIS A2108 -3.344 3.836 -8.501 1.00 0.35 C ATOM 925 O HIS A2108 -4.415 3.878 -9.105 1.00 0.47 O ATOM 926 CB HIS A2108 -1.143 4.647 -9.377 1.00 0.38 C ATOM 927 CG HIS A2108 -1.439 4.366 -10.813 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.583 5.348 -11.766 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.602 3.193 -11.453 1.00 1.06 C ATOM 930 CE1 HIS A2108 -1.825 4.788 -12.934 1.00 1.01 C ATOM 931 NE2 HIS A2108 -1.840 3.479 -12.773 1.00 1.29 N ATOM 0 H HIS A2108 -0.960 5.054 -6.987 1.00 0.29 H new ATOM 0 HA HIS A2108 -2.876 5.861 -8.975 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.426 5.466 -9.321 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.661 3.772 -8.941 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.554 2.209 -11.009 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -1.984 5.312 -13.865 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.002 2.792 -13.509 1.00 1.29 H new ATOM 940 N ASN A2109 -2.956 2.801 -7.782 1.00 0.27 N ATOM 941 CA ASN A2109 -3.750 1.578 -7.668 1.00 0.28 C ATOM 942 C ASN A2109 -5.056 1.800 -6.903 1.00 0.28 C ATOM 943 O ASN A2109 -6.116 1.340 -7.323 1.00 0.36 O ATOM 944 CB ASN A2109 -2.922 0.491 -6.987 1.00 0.28 C ATOM 945 CG ASN A2109 -2.135 -0.342 -7.980 1.00 0.35 C ATOM 946 OD1 ASN A2109 -2.600 -1.381 -8.442 1.00 0.40 O ATOM 947 ND2 ASN A2109 -0.941 0.114 -8.320 1.00 0.39 N ATOM 0 H ASN A2109 -2.082 2.777 -7.257 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.019 1.265 -8.677 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.234 0.952 -6.278 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.582 -0.160 -6.414 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.370 -0.402 -8.989 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.592 0.982 -7.913 1.00 0.39 H new ATOM 954 N THR A2110 -4.975 2.515 -5.791 1.00 0.25 N ATOM 955 CA THR A2110 -6.142 2.820 -4.982 1.00 0.26 C ATOM 956 C THR A2110 -6.977 3.879 -5.681 1.00 0.27 C ATOM 957 O THR A2110 -8.194 3.974 -5.496 1.00 0.33 O ATOM 958 CB THR A2110 -5.727 3.298 -3.580 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.855 4.431 -3.686 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.019 2.182 -2.827 1.00 0.29 C ATOM 0 H THR A2110 -4.103 2.898 -5.427 1.00 0.25 H new ATOM 0 HA THR A2110 -6.736 1.914 -4.862 1.00 0.26 H new ATOM 0 HB THR A2110 -6.625 3.582 -3.032 1.00 0.27 H new ATOM 0 HG1 THR A2110 -3.946 4.126 -3.888 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.732 2.536 -1.837 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.689 1.328 -2.727 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.128 1.880 -3.377 1.00 0.29 H new ATOM 968 N GLY A2111 -6.300 4.662 -6.510 1.00 0.23 N ATOM 969 CA GLY A2111 -6.962 5.659 -7.307 1.00 0.26 C ATOM 970 C GLY A2111 -7.173 6.945 -6.545 1.00 0.29 C ATOM 971 O GLY A2111 -7.798 7.885 -7.040 1.00 0.36 O ATOM 0 H GLY A2111 -5.289 4.618 -6.641 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.371 5.860 -8.200 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -7.925 5.274 -7.642 1.00 0.26 H new ATOM 975 N LEU A2112 -6.637 6.988 -5.337 1.00 0.28 N ATOM 976 CA LEU A2112 -6.786 8.140 -4.465 1.00 0.34 C ATOM 977 C LEU A2112 -5.576 9.043 -4.582 1.00 0.29 C ATOM 978 O LEU A2112 -4.806 8.965 -5.543 1.00 0.29 O ATOM 979 CB LEU A2112 -6.913 7.700 -3.010 1.00 0.43 C ATOM 980 CG LEU A2112 -7.215 6.231 -2.768 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.696 5.861 -1.405 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.703 5.939 -2.854 1.00 0.47 C ATOM 0 H LEU A2112 -6.088 6.228 -4.935 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.686 8.674 -4.769 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -5.983 7.946 -2.497 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.700 8.291 -2.543 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.726 5.638 -3.541 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -6.903 4.809 -1.210 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.620 6.033 -1.366 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.189 6.473 -0.650 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -8.876 4.878 -2.675 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.233 6.525 -2.103 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.069 6.204 -3.846 1.00 0.47 H new ATOM 994 N ASP A2113 -5.408 9.882 -3.585 1.00 0.28 N ATOM 995 CA ASP A2113 -4.302 10.817 -3.542 1.00 0.28 C ATOM 996 C ASP A2113 -3.688 10.816 -2.162 1.00 0.30 C ATOM 997 O ASP A2113 -4.346 11.117 -1.166 1.00 0.35 O ATOM 998 CB ASP A2113 -4.769 12.209 -3.907 1.00 0.34 C ATOM 999 CG ASP A2113 -3.675 13.251 -3.765 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -2.882 13.423 -4.711 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.606 13.908 -2.708 1.00 0.43 O ATOM 0 H ASP A2113 -6.033 9.937 -2.781 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.550 10.507 -4.268 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.132 12.208 -4.935 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.611 12.483 -3.271 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.426 10.482 -2.131 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.713 10.233 -0.892 1.00 0.30 C ATOM 1008 C LEU A2114 -0.414 11.027 -0.844 1.00 0.30 C ATOM 1009 O LEU A2114 0.113 11.427 -1.880 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.416 8.737 -0.790 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.643 7.835 -0.901 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.238 6.374 -0.874 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.624 8.146 0.218 1.00 0.91 C ATOM 0 H LEU A2114 -1.853 10.372 -2.968 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.331 10.551 -0.052 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.710 8.466 -1.575 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.923 8.542 0.163 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.134 8.029 -1.855 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.127 5.748 -0.954 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.571 6.166 -1.711 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.724 6.156 0.062 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.495 7.497 0.129 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.143 7.977 1.181 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.939 9.187 0.147 1.00 0.91 H new ATOM 1025 N PRO A2115 0.107 11.274 0.365 1.00 0.29 N ATOM 1026 CA PRO A2115 1.384 11.968 0.558 1.00 0.31 C ATOM 1027 C PRO A2115 2.575 11.035 0.367 1.00 0.28 C ATOM 1028 O PRO A2115 2.487 9.842 0.650 1.00 0.25 O ATOM 1029 CB PRO A2115 1.307 12.391 2.020 1.00 0.33 C ATOM 1030 CG PRO A2115 0.544 11.287 2.659 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.509 10.903 1.657 1.00 0.30 C ATOM 0 HA PRO A2115 1.526 12.783 -0.151 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.299 12.501 2.459 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.800 13.349 2.135 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.193 10.443 2.891 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.095 11.611 3.598 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.740 9.839 1.703 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.442 11.439 1.827 1.00 0.30 H new ATOM 1039 N PRO A2116 3.716 11.564 -0.091 1.00 0.33 N ATOM 1040 CA PRO A2116 4.947 10.783 -0.207 1.00 0.36 C ATOM 1041 C PRO A2116 5.552 10.479 1.164 1.00 0.34 C ATOM 1042 O PRO A2116 6.642 9.914 1.265 1.00 0.43 O ATOM 1043 CB PRO A2116 5.870 11.691 -1.024 1.00 0.44 C ATOM 1044 CG PRO A2116 5.382 13.072 -0.754 1.00 0.46 C ATOM 1045 CD PRO A2116 3.897 12.958 -0.540 1.00 0.43 C ATOM 0 HA PRO A2116 4.783 9.810 -0.670 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.910 11.573 -0.721 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.819 11.454 -2.087 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.871 13.493 0.125 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.605 13.734 -1.591 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.544 13.669 0.207 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.343 13.159 -1.457 1.00 0.43 H new ATOM 1053 N THR A2117 4.832 10.866 2.214 1.00 0.27 N ATOM 1054 CA THR A2117 5.264 10.623 3.579 1.00 0.24 C ATOM 1055 C THR A2117 4.533 9.433 4.198 1.00 0.17 C ATOM 1056 O THR A2117 4.762 9.106 5.362 1.00 0.15 O ATOM 1057 CB THR A2117 5.045 11.867 4.453 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.713 12.370 4.265 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.058 12.945 4.108 1.00 0.36 C ATOM 0 H THR A2117 3.939 11.353 2.139 1.00 0.27 H new ATOM 0 HA THR A2117 6.329 10.393 3.539 1.00 0.24 H new ATOM 0 HB THR A2117 5.178 11.585 5.498 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.580 13.162 4.827 1.00 0.32 H new ATOM 0 HG21 THR A2117 5.888 13.819 4.737 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.065 12.566 4.279 1.00 0.36 H new ATOM 0 HG23 THR A2117 5.949 13.225 3.060 1.00 0.36 H new ATOM 1067 N LEU A2118 3.642 8.808 3.419 1.00 0.16 N ATOM 1068 CA LEU A2118 2.968 7.568 3.822 1.00 0.16 C ATOM 1069 C LEU A2118 3.891 6.639 4.580 1.00 0.16 C ATOM 1070 O LEU A2118 3.667 6.313 5.744 1.00 0.19 O ATOM 1071 CB LEU A2118 2.509 6.796 2.594 1.00 0.23 C ATOM 1072 CG LEU A2118 1.315 7.344 1.852 1.00 0.33 C ATOM 1073 CD1 LEU A2118 1.053 6.468 0.643 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.109 7.382 2.770 1.00 0.77 C ATOM 0 H LEU A2118 3.369 9.146 2.496 1.00 0.16 H new ATOM 0 HA LEU A2118 2.133 7.869 4.454 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.345 6.739 1.897 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.279 5.776 2.901 1.00 0.23 H new ATOM 0 HG LEU A2118 1.512 8.363 1.519 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.192 6.851 0.096 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.928 6.474 -0.007 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.850 5.448 0.970 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.749 7.779 2.227 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.116 6.374 3.117 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.324 8.021 3.626 1.00 0.77 H new ATOM 1086 N ILE A2119 4.920 6.216 3.872 1.00 0.15 N ATOM 1087 CA ILE A2119 5.867 5.223 4.355 1.00 0.18 C ATOM 1088 C ILE A2119 6.574 5.687 5.631 1.00 0.20 C ATOM 1089 O ILE A2119 7.096 4.878 6.391 1.00 0.28 O ATOM 1090 CB ILE A2119 6.933 4.925 3.282 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.322 4.868 1.871 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.659 3.631 3.599 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.162 3.913 1.702 1.00 0.20 C ATOM 0 H ILE A2119 5.127 6.555 2.933 1.00 0.15 H new ATOM 0 HA ILE A2119 5.296 4.322 4.576 1.00 0.18 H new ATOM 0 HB ILE A2119 7.651 5.745 3.296 1.00 0.19 H new ATOM 0 HG12 ILE A2119 5.989 5.869 1.598 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.105 4.589 1.166 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.408 3.436 2.831 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.148 3.716 4.569 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.943 2.809 3.625 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.807 3.951 0.672 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.488 2.900 1.937 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.354 4.199 2.375 1.00 0.20 H new ATOM 1105 N PHE A2120 6.597 6.991 5.849 1.00 0.17 N ATOM 1106 CA PHE A2120 7.276 7.568 6.985 1.00 0.19 C ATOM 1107 C PHE A2120 6.348 7.704 8.191 1.00 0.20 C ATOM 1108 O PHE A2120 6.776 7.550 9.335 1.00 0.26 O ATOM 1109 CB PHE A2120 7.841 8.921 6.577 1.00 0.19 C ATOM 1110 CG PHE A2120 8.978 8.783 5.613 1.00 0.24 C ATOM 1111 CD1 PHE A2120 9.991 7.877 5.868 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.029 9.532 4.451 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.035 7.719 4.988 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.077 9.381 3.563 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.082 8.471 3.832 1.00 0.38 C ATOM 0 H PHE A2120 6.145 7.674 5.242 1.00 0.17 H new ATOM 0 HA PHE A2120 8.086 6.905 7.289 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.052 9.522 6.125 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.180 9.455 7.464 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.961 7.285 6.771 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.243 10.241 4.236 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.818 7.007 5.201 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.111 9.973 2.660 1.00 0.34 H new ATOM 0 HZ PHE A2120 11.902 8.349 3.139 1.00 0.38 H new ATOM 1125 N ASP A2121 5.077 7.989 7.931 1.00 0.17 N ATOM 1126 CA ASP A2121 4.091 8.153 8.995 1.00 0.22 C ATOM 1127 C ASP A2121 3.460 6.823 9.374 1.00 0.20 C ATOM 1128 O ASP A2121 3.102 6.592 10.531 1.00 0.29 O ATOM 1129 CB ASP A2121 2.998 9.130 8.571 1.00 0.29 C ATOM 1130 CG ASP A2121 3.347 10.572 8.874 1.00 0.74 C ATOM 1131 OD1 ASP A2121 3.331 11.401 7.938 1.00 1.34 O ATOM 1132 OD2 ASP A2121 3.661 10.879 10.044 1.00 0.88 O ATOM 0 H ASP A2121 4.703 8.112 6.990 1.00 0.17 H new ATOM 0 HA ASP A2121 4.614 8.551 9.864 1.00 0.22 H new ATOM 0 HB2 ASP A2121 2.816 9.022 7.502 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.069 8.872 9.080 1.00 0.29 H new ATOM 1137 N HIS A2122 3.327 5.954 8.391 1.00 0.14 N ATOM 1138 CA HIS A2122 2.708 4.650 8.577 1.00 0.14 C ATOM 1139 C HIS A2122 3.630 3.592 8.006 1.00 0.14 C ATOM 1140 O HIS A2122 3.346 3.004 6.962 1.00 0.14 O ATOM 1141 CB HIS A2122 1.360 4.576 7.854 1.00 0.16 C ATOM 1142 CG HIS A2122 0.473 5.760 8.084 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.490 5.811 9.066 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.413 6.949 7.439 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.108 6.978 9.013 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.577 7.687 8.035 1.00 0.40 N ATOM 0 H HIS A2122 3.645 6.130 7.438 1.00 0.14 H new ATOM 0 HA HIS A2122 2.541 4.487 9.642 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.540 4.474 6.784 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.836 3.676 8.177 1.00 0.16 H new ATOM 0 HD2 HIS A2122 1.031 7.259 6.609 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -1.911 7.297 9.660 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -0.857 8.630 7.766 1.00 0.40 H new ATOM 1155 N PRO A2123 4.756 3.339 8.666 1.00 0.16 N ATOM 1156 CA PRO A2123 5.775 2.488 8.126 1.00 0.17 C ATOM 1157 C PRO A2123 5.608 1.044 8.552 1.00 0.15 C ATOM 1158 O PRO A2123 5.879 0.687 9.695 1.00 0.19 O ATOM 1159 CB PRO A2123 7.039 3.078 8.754 1.00 0.20 C ATOM 1160 CG PRO A2123 6.591 3.850 9.959 1.00 0.25 C ATOM 1161 CD PRO A2123 5.089 3.801 9.990 1.00 0.20 C ATOM 0 HA PRO A2123 5.770 2.461 7.036 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.737 2.290 9.035 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.557 3.726 8.048 1.00 0.20 H new ATOM 0 HG2 PRO A2123 7.008 3.418 10.869 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.941 4.881 9.906 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.723 3.121 10.759 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.657 4.780 10.197 1.00 0.20 H new ATOM 1169 N THR A2124 5.098 0.268 7.612 1.00 0.12 N ATOM 1170 CA THR A2124 5.152 -1.183 7.535 1.00 0.10 C ATOM 1171 C THR A2124 4.156 -1.565 6.460 1.00 0.10 C ATOM 1172 O THR A2124 3.245 -0.771 6.203 1.00 0.11 O ATOM 1173 CB THR A2124 4.834 -1.932 8.849 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.806 -1.266 9.592 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.084 -2.076 9.686 1.00 0.11 C ATOM 0 H THR A2124 4.595 0.667 6.819 1.00 0.12 H new ATOM 0 HA THR A2124 6.177 -1.480 7.315 1.00 0.10 H new ATOM 0 HB THR A2124 4.467 -2.925 8.590 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.625 -1.763 10.417 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.845 -2.605 10.608 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.833 -2.639 9.128 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.477 -1.088 9.926 1.00 0.11 H new ATOM 1183 N PRO A2125 4.268 -2.710 5.789 1.00 0.11 N ATOM 1184 CA PRO A2125 3.206 -3.129 4.887 1.00 0.12 C ATOM 1185 C PRO A2125 1.876 -3.173 5.632 1.00 0.13 C ATOM 1186 O PRO A2125 0.853 -2.731 5.115 1.00 0.14 O ATOM 1187 CB PRO A2125 3.636 -4.516 4.418 1.00 0.12 C ATOM 1188 CG PRO A2125 5.114 -4.543 4.628 1.00 0.12 C ATOM 1189 CD PRO A2125 5.397 -3.647 5.806 1.00 0.11 C ATOM 0 HA PRO A2125 3.060 -2.449 4.048 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.140 -5.300 4.991 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.381 -4.677 3.370 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.459 -5.559 4.822 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.638 -4.192 3.739 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.441 -4.209 6.739 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.351 -3.131 5.700 1.00 0.11 H new ATOM 1197 N HIS A2126 1.919 -3.647 6.884 1.00 0.13 N ATOM 1198 CA HIS A2126 0.740 -3.681 7.745 1.00 0.15 C ATOM 1199 C HIS A2126 0.199 -2.277 8.013 1.00 0.14 C ATOM 1200 O HIS A2126 -0.996 -2.052 7.860 1.00 0.16 O ATOM 1201 CB HIS A2126 1.079 -4.409 9.054 1.00 0.18 C ATOM 1202 CG HIS A2126 0.060 -4.243 10.148 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.062 -5.033 10.255 1.00 0.35 N ATOM 1204 CD2 HIS A2126 0.003 -3.373 11.187 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.765 -4.658 11.306 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.141 -3.654 11.890 1.00 0.40 N ATOM 0 H HIS A2126 2.765 -4.013 7.321 1.00 0.13 H new ATOM 0 HA HIS A2126 -0.050 -4.229 7.232 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.195 -5.472 8.843 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.042 -4.048 9.415 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.724 -2.603 11.418 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.695 -5.099 11.633 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.457 -3.166 12.728 1.00 0.40 H new ATOM 1215 N ALA A2127 1.066 -1.336 8.397 1.00 0.13 N ATOM 1216 CA ALA A2127 0.623 0.036 8.675 1.00 0.12 C ATOM 1217 C ALA A2127 -0.131 0.615 7.488 1.00 0.11 C ATOM 1218 O ALA A2127 -1.157 1.279 7.647 1.00 0.11 O ATOM 1219 CB ALA A2127 1.797 0.941 9.034 1.00 0.13 C ATOM 0 H ALA A2127 2.066 -1.494 8.522 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.049 -0.010 9.532 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.432 1.949 9.233 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.297 0.554 9.922 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.502 0.968 8.204 1.00 0.13 H new ATOM 1225 N LEU A2128 0.372 0.352 6.293 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.261 0.846 5.088 1.00 0.11 C ATOM 1227 C LEU A2128 -1.494 0.036 4.728 1.00 0.13 C ATOM 1228 O LEU A2128 -2.458 0.582 4.198 1.00 0.14 O ATOM 1229 CB LEU A2128 0.723 0.841 3.936 1.00 0.11 C ATOM 1230 CG LEU A2128 1.841 1.862 4.059 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.699 1.816 2.818 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.272 3.259 4.286 1.00 0.12 C ATOM 0 H LEU A2128 1.215 -0.200 6.135 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.581 1.870 5.281 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.163 -0.153 3.855 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.179 1.026 3.009 1.00 0.11 H new ATOM 0 HG LEU A2128 2.460 1.618 4.922 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.502 2.548 2.904 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.126 0.819 2.708 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.089 2.048 1.945 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.089 3.975 4.371 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.635 3.534 3.445 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.684 3.268 5.204 1.00 0.12 H new ATOM 1244 N THR A2129 -1.473 -1.257 5.030 1.00 0.15 N ATOM 1245 CA THR A2129 -2.623 -2.112 4.778 1.00 0.17 C ATOM 1246 C THR A2129 -3.826 -1.555 5.526 1.00 0.17 C ATOM 1247 O THR A2129 -4.969 -1.642 5.078 1.00 0.20 O ATOM 1248 CB THR A2129 -2.361 -3.573 5.221 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.213 -4.101 4.543 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.552 -4.464 4.924 1.00 0.18 C ATOM 0 H THR A2129 -0.674 -1.734 5.448 1.00 0.15 H new ATOM 0 HA THR A2129 -2.814 -2.124 3.705 1.00 0.17 H new ATOM 0 HB THR A2129 -2.188 -3.559 6.297 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.398 -3.743 4.953 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.334 -5.482 5.247 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.426 -4.093 5.458 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.752 -4.459 3.853 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.539 -0.947 6.658 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.556 -0.328 7.468 1.00 0.18 C ATOM 1260 C GLN A2130 -4.929 1.055 6.922 1.00 0.17 C ATOM 1261 O GLN A2130 -6.111 1.399 6.840 1.00 0.20 O ATOM 1262 CB GLN A2130 -4.035 -0.246 8.894 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.489 -1.586 9.373 1.00 0.28 C ATOM 1264 CD GLN A2130 -4.551 -2.563 9.864 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -5.612 -2.069 10.490 1.00 1.66 O flip ATOM 1266 NE2 GLN A2130 -4.399 -3.774 9.706 1.00 1.13 N flip ATOM 0 H GLN A2130 -2.596 -0.870 7.038 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.468 -0.924 7.446 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.250 0.508 8.952 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.838 0.078 9.557 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -2.935 -2.051 8.557 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.778 -1.407 10.179 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -3.573 -4.125 9.221 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -5.099 -4.426 10.060 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.924 1.841 6.524 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.172 3.175 5.975 1.00 0.18 C ATOM 1277 C HIS A2131 -4.964 3.103 4.672 1.00 0.18 C ATOM 1278 O HIS A2131 -5.991 3.766 4.530 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.855 3.923 5.741 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.044 5.310 5.198 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.631 6.330 5.917 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.741 5.835 3.989 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.682 7.417 5.172 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.148 7.145 3.999 1.00 0.31 N ATOM 0 H HIS A2131 -2.939 1.579 6.571 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.765 3.722 6.708 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.307 3.981 6.681 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.239 3.350 5.048 1.00 0.23 H new ATOM 0 HD1 HIS A2131 -3.972 6.255 6.875 1.00 0.32 H new ATOM 0 HD2 HIS A2131 -2.266 5.319 3.168 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.092 8.370 5.473 1.00 0.35 H new ATOM 1293 N LEU A2132 -4.483 2.309 3.724 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.143 2.184 2.430 1.00 0.21 C ATOM 1295 C LEU A2132 -6.538 1.596 2.570 1.00 0.21 C ATOM 1296 O LEU A2132 -7.454 1.990 1.845 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.313 1.346 1.451 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.146 2.081 0.780 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.542 3.504 0.442 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.905 2.073 1.655 1.00 0.64 C ATOM 0 H LEU A2132 -3.641 1.743 3.826 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.234 3.192 2.025 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.917 0.482 1.984 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.975 0.965 0.674 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.907 1.551 -0.142 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.703 4.012 -0.033 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.393 3.493 -0.239 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.816 4.032 1.355 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.099 2.603 1.148 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.124 2.567 2.602 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.600 1.044 1.845 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.717 0.683 3.518 1.00 0.20 N ATOM 1313 CA HIS A2133 -8.023 0.088 3.733 1.00 0.21 C ATOM 1314 C HIS A2133 -8.978 1.146 4.247 1.00 0.21 C ATOM 1315 O HIS A2133 -10.155 1.163 3.891 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.966 -1.080 4.721 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.279 -1.790 4.836 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.921 -2.003 6.033 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.089 -2.303 3.879 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -11.069 -2.612 5.812 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.199 -2.805 4.511 1.00 0.31 N ATOM 0 H HIS A2133 -5.983 0.345 4.140 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.373 -0.306 2.779 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.200 -1.787 4.401 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.669 -0.709 5.702 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -9.897 -2.315 2.816 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.783 -2.904 6.567 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.993 -3.253 4.053 1.00 0.31 H new ATOM 1330 N THR A2134 -8.460 2.032 5.080 1.00 0.18 N ATOM 1331 CA THR A2134 -9.240 3.147 5.569 1.00 0.22 C ATOM 1332 C THR A2134 -9.640 4.059 4.413 1.00 0.26 C ATOM 1333 O THR A2134 -10.813 4.345 4.217 1.00 0.34 O ATOM 1334 CB THR A2134 -8.466 3.959 6.623 1.00 0.26 C ATOM 1335 OG1 THR A2134 -8.087 3.109 7.716 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.304 5.120 7.142 1.00 0.36 C ATOM 0 H THR A2134 -7.502 1.998 5.430 1.00 0.18 H new ATOM 0 HA THR A2134 -10.135 2.741 6.041 1.00 0.22 H new ATOM 0 HB THR A2134 -7.572 4.364 6.150 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.456 2.430 7.399 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.733 5.677 7.885 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.563 5.780 6.314 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.216 4.735 7.599 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.649 4.467 3.629 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.858 5.389 2.519 1.00 0.32 C ATOM 1346 C ARG A2135 -9.980 4.941 1.577 1.00 0.40 C ATOM 1347 O ARG A2135 -10.851 5.731 1.222 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.569 5.527 1.721 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.452 6.219 2.472 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.827 7.648 2.811 1.00 0.33 C ATOM 1351 NE ARG A2135 -7.071 8.466 1.621 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.717 9.749 1.507 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -6.112 10.369 2.514 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.989 10.420 0.394 1.00 1.64 N ATOM 0 H ARG A2135 -7.680 4.169 3.744 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.153 6.345 2.952 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.231 4.535 1.421 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.777 6.083 0.807 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.231 5.671 3.388 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.544 6.211 1.869 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.721 7.646 3.435 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -6.028 8.099 3.399 1.00 0.33 H new ATOM 0 HE ARG A2135 -7.541 8.028 0.829 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -5.916 9.865 3.379 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -5.844 11.349 2.422 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -7.469 9.956 -0.377 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -6.718 11.400 0.310 1.00 1.64 H new ATOM 1368 N LEU A2136 -9.941 3.680 1.173 1.00 0.41 N ATOM 1369 CA LEU A2136 -10.880 3.148 0.202 1.00 0.51 C ATOM 1370 C LEU A2136 -12.286 3.019 0.767 1.00 0.58 C ATOM 1371 O LEU A2136 -13.271 3.160 0.043 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.377 1.792 -0.272 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.041 1.847 -1.000 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.529 0.457 -1.308 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.183 2.658 -2.271 1.00 0.75 C ATOM 0 H LEU A2136 -9.259 3.000 1.509 1.00 0.41 H new ATOM 0 HA LEU A2136 -10.940 3.846 -0.633 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.283 1.130 0.589 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.122 1.351 -0.934 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.312 2.330 -0.349 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.574 0.528 -1.828 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.396 -0.096 -0.378 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.248 -0.064 -1.940 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.224 2.694 -2.788 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -9.927 2.193 -2.918 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.500 3.671 -2.023 1.00 0.75 H new ATOM 1387 N THR A2137 -12.382 2.751 2.055 1.00 0.43 N ATOM 1388 CA THR A2137 -13.666 2.550 2.681 1.00 0.47 C ATOM 1389 C THR A2137 -14.275 3.877 3.115 1.00 0.54 C ATOM 1390 O THR A2137 -15.498 4.031 3.161 1.00 0.68 O ATOM 1391 CB THR A2137 -13.529 1.595 3.874 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.564 2.099 4.806 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.093 0.220 3.395 1.00 0.42 C ATOM 0 H THR A2137 -11.584 2.668 2.685 1.00 0.43 H new ATOM 0 HA THR A2137 -14.339 2.099 1.951 1.00 0.47 H new ATOM 0 HB THR A2137 -14.498 1.518 4.366 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.674 1.762 4.570 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.999 -0.450 4.250 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.836 -0.177 2.703 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.131 0.299 2.888 1.00 0.42 H new