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 Single : A2057 GLN :FLIP amide:sc=-0.00135 F(o=-1.2,f=-0.0013) USER MOD Single : A2058 GLN : amide:sc= -1.23 K(o=-1.2,f=-5.9!) USER MOD Single : A2059 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2060 GLN : amide:sc= -1.49! C(o=-1.5!,f=-5.8!) USER MOD Single : A2061 GLN : amide:sc= -0.0365 K(o=-0.037,f=-0.93) USER MOD Single : A2062 THR OG1 : rot 91:sc= 1.3 USER MOD Single : A2065 THR OG1 : rot 81:sc= 1.22 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A2073 THR OG1 : rot 78:sc= 1.08 USER MOD Single : A2077 HIS : no HE2:sc= -6.4! C(o=-6.4!,f=-8.5!) USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2079 THR OG1 : rot 18:sc= 0.759 USER MOD Single : A2082 SER OG : rot -49:sc= 0.435 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= 0 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2096 SER OG : rot 180:sc= 0 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.634 USER MOD Single : A2104 ASN : amide:sc= -1.14 K(o=-1.1,f=-1.9!) USER MOD Single : A2105 THR OG1 : rot 75:sc= 1.01 USER MOD Single : A2107 THR OG1 : rot -53:sc= 0.249 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.568 K(o=0.57,f=-0.48) USER MOD Single : A2110 THR OG1 : rot -85:sc= 0.368 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.345 USER MOD Single : A2122 HIS : no HD1:sc= -0.711 X(o=-0.71,f=-0.83) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.196 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 79:sc= 1.24 USER MOD Single : A2130 GLN : amide:sc= -0.0395 K(o=-0.039,f=-1.4) USER MOD Single : A2131 HIS : no HE2:sc= -0.126 X(o=-0.13,f=-0.45) USER MOD Single : A2133 HIS : no HD1:sc= -0.605 X(o=-0.61,f=-0.85) USER MOD Single : A2134 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A2137 THR OG1 : rot -93:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -14.184 -6.937 4.264 1.00 0.67 N ATOM 151 CA PRO A2056 -13.101 -6.041 4.683 1.00 0.61 C ATOM 152 C PRO A2056 -11.713 -6.659 4.578 1.00 0.54 C ATOM 153 O PRO A2056 -10.826 -6.085 3.949 1.00 0.50 O ATOM 154 CB PRO A2056 -13.452 -5.750 6.131 1.00 0.71 C ATOM 155 CG PRO A2056 -14.934 -5.750 6.136 1.00 0.86 C ATOM 156 CD PRO A2056 -15.352 -6.816 5.159 1.00 0.81 C ATOM 0 HA PRO A2056 -13.039 -5.161 4.043 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.049 -6.509 6.802 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.050 -4.791 6.456 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.321 -5.961 7.133 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -15.325 -4.776 5.842 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -15.572 -7.758 5.662 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.250 -6.529 4.611 1.00 0.81 H new ATOM 164 N GLN A2057 -11.535 -7.835 5.167 1.00 0.58 N ATOM 165 CA GLN A2057 -10.246 -8.507 5.165 1.00 0.60 C ATOM 166 C GLN A2057 -9.812 -8.875 3.750 1.00 0.57 C ATOM 167 O GLN A2057 -8.634 -8.765 3.414 1.00 0.57 O ATOM 168 CB GLN A2057 -10.316 -9.756 6.030 1.00 0.71 C ATOM 169 CG GLN A2057 -9.012 -10.516 6.100 1.00 0.83 C ATOM 170 CD GLN A2057 -7.943 -9.782 6.881 1.00 1.19 C ATOM 171 OE1 GLN A2057 -7.143 -8.988 6.189 1.00 1.63 O flip ATOM 172 NE2 GLN A2057 -7.832 -9.937 8.094 1.00 1.95 N flip ATOM 0 H GLN A2057 -12.273 -8.344 5.654 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.505 -7.821 5.574 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.617 -9.473 7.039 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.091 -10.416 5.639 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -9.188 -11.488 6.561 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.652 -10.703 5.088 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -8.471 -10.559 8.589 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -7.101 -9.443 8.606 1.00 1.95 H new ATOM 181 N GLN A2058 -10.765 -9.296 2.923 1.00 0.59 N ATOM 182 CA GLN A2058 -10.476 -9.628 1.531 1.00 0.64 C ATOM 183 C GLN A2058 -9.955 -8.398 0.811 1.00 0.57 C ATOM 184 O GLN A2058 -8.978 -8.463 0.064 1.00 0.59 O ATOM 185 CB GLN A2058 -11.730 -10.153 0.823 1.00 0.75 C ATOM 186 CG GLN A2058 -12.301 -11.414 1.448 1.00 0.83 C ATOM 187 CD GLN A2058 -11.413 -12.631 1.253 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.195 -12.517 1.114 1.00 1.44 O ATOM 189 NE2 GLN A2058 -12.014 -13.807 1.257 1.00 1.60 N ATOM 0 H GLN A2058 -11.742 -9.415 3.192 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.718 -10.411 1.512 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.494 -9.376 0.832 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.490 -10.352 -0.221 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.450 -11.248 2.515 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.282 -11.614 1.016 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -13.026 -13.862 1.375 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -11.466 -14.660 1.142 1.00 1.60 H new ATOM 198 N GLN A2059 -10.606 -7.269 1.062 1.00 0.54 N ATOM 199 CA GLN A2059 -10.178 -6.001 0.500 1.00 0.52 C ATOM 200 C GLN A2059 -8.801 -5.630 1.027 1.00 0.47 C ATOM 201 O GLN A2059 -7.952 -5.150 0.276 1.00 0.49 O ATOM 202 CB GLN A2059 -11.178 -4.897 0.833 1.00 0.57 C ATOM 203 CG GLN A2059 -12.534 -5.093 0.184 1.00 0.72 C ATOM 204 CD GLN A2059 -13.454 -3.914 0.409 1.00 1.02 C ATOM 205 OE1 GLN A2059 -14.183 -3.856 1.399 1.00 1.50 O ATOM 206 NE2 GLN A2059 -13.429 -2.969 -0.513 1.00 1.19 N ATOM 0 H GLN A2059 -11.435 -7.209 1.654 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.128 -6.108 -0.584 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.305 -4.847 1.914 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.768 -3.938 0.516 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.403 -5.249 -0.887 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.998 -5.995 0.583 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -12.809 -3.058 -1.318 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -14.030 -2.150 -0.420 1.00 1.19 H new ATOM 215 N GLN A2060 -8.580 -5.864 2.320 1.00 0.44 N ATOM 216 CA GLN A2060 -7.287 -5.587 2.929 1.00 0.42 C ATOM 217 C GLN A2060 -6.210 -6.398 2.263 1.00 0.39 C ATOM 218 O GLN A2060 -5.284 -5.843 1.732 1.00 0.37 O ATOM 219 CB GLN A2060 -7.274 -5.904 4.423 1.00 0.45 C ATOM 220 CG GLN A2060 -8.332 -5.185 5.217 1.00 0.50 C ATOM 221 CD GLN A2060 -8.285 -5.526 6.692 1.00 0.60 C ATOM 222 OE1 GLN A2060 -8.942 -6.458 7.142 1.00 0.78 O ATOM 223 NE2 GLN A2060 -7.502 -4.776 7.452 1.00 0.95 N ATOM 0 H GLN A2060 -9.278 -6.243 2.960 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.101 -4.521 2.796 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.403 -6.978 4.556 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.295 -5.648 4.829 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.207 -4.109 5.092 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.315 -5.439 4.820 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -6.972 -4.010 7.038 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -7.429 -4.965 8.452 1.00 0.95 H new ATOM 232 N GLN A2061 -6.347 -7.710 2.296 1.00 0.41 N ATOM 233 CA GLN A2061 -5.367 -8.603 1.690 1.00 0.42 C ATOM 234 C GLN A2061 -5.101 -8.236 0.237 1.00 0.43 C ATOM 235 O GLN A2061 -3.977 -8.345 -0.246 1.00 0.41 O ATOM 236 CB GLN A2061 -5.861 -10.025 1.797 1.00 0.51 C ATOM 237 CG GLN A2061 -5.937 -10.490 3.234 1.00 0.56 C ATOM 238 CD GLN A2061 -6.682 -11.795 3.407 1.00 0.67 C ATOM 239 OE1 GLN A2061 -7.620 -12.094 2.669 1.00 1.03 O ATOM 240 NE2 GLN A2061 -6.266 -12.587 4.382 1.00 1.32 N ATOM 0 H GLN A2061 -7.132 -8.188 2.739 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.423 -8.502 2.226 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.847 -10.102 1.338 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.196 -10.683 1.237 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -4.926 -10.603 3.625 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.425 -9.720 3.831 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -5.484 -12.302 4.972 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -6.727 -13.482 4.544 1.00 1.32 H new ATOM 249 N THR A2062 -6.142 -7.798 -0.445 1.00 0.49 N ATOM 250 CA THR A2062 -6.008 -7.251 -1.787 1.00 0.55 C ATOM 251 C THR A2062 -5.021 -6.083 -1.815 1.00 0.49 C ATOM 252 O THR A2062 -4.051 -6.093 -2.576 1.00 0.48 O ATOM 253 CB THR A2062 -7.357 -6.761 -2.325 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.274 -7.860 -2.421 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.176 -6.115 -3.694 1.00 0.77 C ATOM 0 H THR A2062 -7.098 -7.810 -0.090 1.00 0.49 H new ATOM 0 HA THR A2062 -5.635 -8.058 -2.418 1.00 0.55 H new ATOM 0 HB THR A2062 -7.760 -6.018 -1.636 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.778 -7.939 -1.585 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.142 -5.771 -4.065 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.497 -5.266 -3.609 1.00 0.77 H new ATOM 0 HG23 THR A2062 -6.760 -6.845 -4.388 1.00 0.77 H new ATOM 263 N LEU A2063 -5.259 -5.089 -0.966 1.00 0.50 N ATOM 264 CA LEU A2063 -4.454 -3.886 -0.949 1.00 0.53 C ATOM 265 C LEU A2063 -3.151 -4.151 -0.209 1.00 0.44 C ATOM 266 O LEU A2063 -2.161 -3.442 -0.364 1.00 0.47 O ATOM 267 CB LEU A2063 -5.256 -2.750 -0.308 1.00 0.69 C ATOM 268 CG LEU A2063 -5.750 -2.985 1.116 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.719 -2.527 2.126 1.00 1.32 C ATOM 270 CD2 LEU A2063 -7.077 -2.277 1.339 1.00 1.22 C ATOM 0 H LEU A2063 -6.011 -5.099 -0.277 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.199 -3.586 -1.966 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.638 -1.852 -0.311 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.120 -2.544 -0.939 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.903 -4.055 1.255 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -5.093 -2.705 3.134 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.794 -3.084 1.979 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.527 -1.462 1.993 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.417 -2.454 2.359 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -6.949 -1.206 1.179 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.817 -2.663 0.638 1.00 1.22 H new ATOM 282 N ALA A2064 -3.184 -5.204 0.576 1.00 0.39 N ATOM 283 CA ALA A2064 -2.040 -5.702 1.304 1.00 0.38 C ATOM 284 C ALA A2064 -1.041 -6.255 0.308 1.00 0.37 C ATOM 285 O ALA A2064 0.136 -5.898 0.300 1.00 0.51 O ATOM 286 CB ALA A2064 -2.494 -6.793 2.264 1.00 0.38 C ATOM 0 H ALA A2064 -4.030 -5.752 0.729 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.573 -4.903 1.880 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.634 -7.173 2.816 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.222 -6.382 2.964 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.951 -7.606 1.700 1.00 0.38 H new ATOM 292 N THR A2065 -1.564 -7.116 -0.553 1.00 0.28 N ATOM 293 CA THR A2065 -0.824 -7.673 -1.666 1.00 0.28 C ATOM 294 C THR A2065 -0.383 -6.567 -2.623 1.00 0.27 C ATOM 295 O THR A2065 0.689 -6.641 -3.216 1.00 0.25 O ATOM 296 CB THR A2065 -1.700 -8.699 -2.409 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.051 -9.768 -1.519 1.00 0.40 O ATOM 298 CG2 THR A2065 -0.993 -9.264 -3.633 1.00 0.41 C ATOM 0 H THR A2065 -2.526 -7.449 -0.494 1.00 0.28 H new ATOM 0 HA THR A2065 0.067 -8.171 -1.283 1.00 0.28 H new ATOM 0 HB THR A2065 -2.599 -8.186 -2.750 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.803 -9.491 -0.955 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.644 -9.984 -4.129 1.00 0.41 H new ATOM 0 HG22 THR A2065 -0.756 -8.454 -4.322 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.072 -9.760 -3.325 1.00 0.41 H new ATOM 306 N LEU A2066 -1.216 -5.535 -2.751 1.00 0.29 N ATOM 307 CA LEU A2066 -0.895 -4.367 -3.556 1.00 0.28 C ATOM 308 C LEU A2066 0.369 -3.721 -3.006 1.00 0.23 C ATOM 309 O LEU A2066 1.376 -3.600 -3.700 1.00 0.22 O ATOM 310 CB LEU A2066 -2.056 -3.377 -3.478 1.00 0.32 C ATOM 311 CG LEU A2066 -2.147 -2.296 -4.560 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.701 -1.025 -3.946 1.00 0.92 C ATOM 313 CD2 LEU A2066 -0.812 -2.018 -5.240 1.00 1.35 C ATOM 0 H LEU A2066 -2.129 -5.489 -2.299 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.733 -4.656 -4.594 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -2.985 -3.948 -3.496 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.007 -2.879 -2.510 1.00 0.32 H new ATOM 0 HG LEU A2066 -2.815 -2.665 -5.339 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.769 -0.251 -4.711 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.693 -1.220 -3.539 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -2.040 -0.689 -3.147 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -0.943 -1.244 -5.996 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.088 -1.682 -4.497 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.448 -2.930 -5.714 1.00 1.35 H new ATOM 325 N VAL A2067 0.295 -3.326 -1.743 1.00 0.21 N ATOM 326 CA VAL A2067 1.405 -2.687 -1.059 1.00 0.18 C ATOM 327 C VAL A2067 2.661 -3.545 -1.148 1.00 0.16 C ATOM 328 O VAL A2067 3.764 -3.055 -1.404 1.00 0.17 O ATOM 329 CB VAL A2067 1.059 -2.438 0.425 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.287 -2.013 1.209 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.041 -1.395 0.555 1.00 0.22 C ATOM 0 H VAL A2067 -0.538 -3.441 -1.165 1.00 0.21 H new ATOM 0 HA VAL A2067 1.591 -1.731 -1.549 1.00 0.18 H new ATOM 0 HB VAL A2067 0.697 -3.377 0.844 1.00 0.19 H new ATOM 0 HG11 VAL A2067 2.013 -1.845 2.251 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.043 -2.797 1.154 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.688 -1.092 0.786 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.269 -1.236 1.609 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.292 -0.457 0.110 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -0.936 -1.744 0.039 1.00 0.22 H new ATOM 341 N ALA A2068 2.468 -4.829 -0.940 1.00 0.15 N ATOM 342 CA ALA A2068 3.542 -5.793 -0.988 1.00 0.15 C ATOM 343 C ALA A2068 4.150 -5.882 -2.389 1.00 0.14 C ATOM 344 O ALA A2068 5.366 -5.796 -2.550 1.00 0.13 O ATOM 345 CB ALA A2068 3.000 -7.131 -0.520 1.00 0.17 C ATOM 0 H ALA A2068 1.556 -5.235 -0.732 1.00 0.15 H new ATOM 0 HA ALA A2068 4.351 -5.480 -0.328 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.795 -7.876 -0.548 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.628 -7.036 0.500 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.187 -7.444 -1.175 1.00 0.17 H new ATOM 351 N ALA A2069 3.297 -6.038 -3.397 1.00 0.17 N ATOM 352 CA ALA A2069 3.732 -6.074 -4.789 1.00 0.18 C ATOM 353 C ALA A2069 4.430 -4.781 -5.168 1.00 0.19 C ATOM 354 O ALA A2069 5.362 -4.776 -5.976 1.00 0.21 O ATOM 355 CB ALA A2069 2.546 -6.309 -5.715 1.00 0.23 C ATOM 0 H ALA A2069 2.290 -6.143 -3.273 1.00 0.17 H new ATOM 0 HA ALA A2069 4.436 -6.899 -4.899 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.891 -6.333 -6.749 1.00 0.23 H new ATOM 0 HB2 ALA A2069 2.074 -7.260 -5.468 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.823 -5.503 -5.592 1.00 0.23 H new ATOM 361 N ALA A2070 3.976 -3.691 -4.564 1.00 0.19 N ATOM 362 CA ALA A2070 4.526 -2.379 -4.826 1.00 0.21 C ATOM 363 C ALA A2070 5.993 -2.333 -4.444 1.00 0.20 C ATOM 364 O ALA A2070 6.824 -1.871 -5.221 1.00 0.23 O ATOM 365 CB ALA A2070 3.742 -1.317 -4.073 1.00 0.24 C ATOM 0 H ALA A2070 3.218 -3.697 -3.881 1.00 0.19 H new ATOM 0 HA ALA A2070 4.444 -2.175 -5.894 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.168 -0.335 -4.280 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.701 -1.336 -4.395 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.794 -1.517 -3.003 1.00 0.24 H new ATOM 371 N THR A2071 6.326 -2.840 -3.262 1.00 0.18 N ATOM 372 CA THR A2071 7.701 -2.751 -2.798 1.00 0.21 C ATOM 373 C THR A2071 8.512 -3.947 -3.271 1.00 0.21 C ATOM 374 O THR A2071 9.724 -3.866 -3.421 1.00 0.27 O ATOM 375 CB THR A2071 7.790 -2.552 -1.277 1.00 0.22 C ATOM 376 OG1 THR A2071 9.118 -2.203 -0.895 1.00 0.28 O ATOM 377 CG2 THR A2071 7.363 -3.782 -0.518 1.00 0.23 C ATOM 0 H THR A2071 5.680 -3.305 -2.624 1.00 0.18 H new ATOM 0 HA THR A2071 8.141 -1.859 -3.244 1.00 0.21 H new ATOM 0 HB THR A2071 7.107 -1.741 -1.024 1.00 0.22 H new ATOM 0 HG1 THR A2071 9.157 -2.078 0.076 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.442 -3.595 0.553 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.330 -4.024 -0.768 1.00 0.23 H new ATOM 0 HG23 THR A2071 8.007 -4.619 -0.789 1.00 0.23 H new ATOM 385 N ALA A2072 7.837 -5.049 -3.550 1.00 0.18 N ATOM 386 CA ALA A2072 8.459 -6.149 -4.266 1.00 0.22 C ATOM 387 C ALA A2072 9.053 -5.612 -5.564 1.00 0.26 C ATOM 388 O ALA A2072 10.201 -5.899 -5.906 1.00 0.31 O ATOM 389 CB ALA A2072 7.416 -7.224 -4.544 1.00 0.22 C ATOM 0 H ALA A2072 6.862 -5.205 -3.293 1.00 0.18 H new ATOM 0 HA ALA A2072 9.256 -6.594 -3.670 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.880 -8.051 -5.081 1.00 0.22 H new ATOM 0 HB2 ALA A2072 7.008 -7.588 -3.601 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.613 -6.804 -5.149 1.00 0.22 H new ATOM 395 N THR A2073 8.273 -4.793 -6.249 1.00 0.27 N ATOM 396 CA THR A2073 8.719 -4.132 -7.458 1.00 0.34 C ATOM 397 C THR A2073 9.736 -3.032 -7.141 1.00 0.37 C ATOM 398 O THR A2073 10.806 -2.969 -7.748 1.00 0.43 O ATOM 399 CB THR A2073 7.515 -3.521 -8.195 1.00 0.38 C ATOM 400 OG1 THR A2073 6.552 -4.544 -8.477 1.00 0.40 O ATOM 401 CG2 THR A2073 7.950 -2.849 -9.483 1.00 0.46 C ATOM 0 H THR A2073 7.315 -4.570 -5.981 1.00 0.27 H new ATOM 0 HA THR A2073 9.200 -4.876 -8.093 1.00 0.34 H new ATOM 0 HB THR A2073 7.065 -2.764 -7.553 1.00 0.38 H new ATOM 0 HG1 THR A2073 6.039 -4.743 -7.666 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.080 -2.425 -9.984 1.00 0.46 H new ATOM 0 HG22 THR A2073 8.661 -2.054 -9.257 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.422 -3.584 -10.135 1.00 0.46 H new ATOM 409 N VAL A2074 9.396 -2.192 -6.169 1.00 0.36 N ATOM 410 CA VAL A2074 10.180 -1.037 -5.805 1.00 0.41 C ATOM 411 C VAL A2074 11.607 -1.390 -5.350 1.00 0.47 C ATOM 412 O VAL A2074 12.561 -0.709 -5.731 1.00 0.56 O ATOM 413 CB VAL A2074 9.402 -0.269 -4.720 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.161 -0.134 -3.418 1.00 0.38 C ATOM 415 CG2 VAL A2074 8.956 1.073 -5.233 1.00 0.37 C ATOM 0 H VAL A2074 8.552 -2.304 -5.608 1.00 0.36 H new ATOM 0 HA VAL A2074 10.323 -0.411 -6.686 1.00 0.41 H new ATOM 0 HB VAL A2074 8.521 -0.868 -4.490 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.555 0.417 -2.699 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.383 -1.125 -3.022 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.093 0.403 -3.594 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.409 1.598 -4.450 1.00 0.37 H new ATOM 0 HG22 VAL A2074 9.828 1.660 -5.522 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.308 0.935 -6.099 1.00 0.37 H new ATOM 425 N LEU A2075 11.762 -2.444 -4.545 1.00 0.43 N ATOM 426 CA LEU A2075 13.083 -2.848 -4.080 1.00 0.52 C ATOM 427 C LEU A2075 13.775 -3.695 -5.142 1.00 0.60 C ATOM 428 O LEU A2075 14.973 -3.964 -5.059 1.00 0.74 O ATOM 429 CB LEU A2075 12.970 -3.643 -2.778 1.00 0.49 C ATOM 430 CG LEU A2075 11.891 -3.160 -1.806 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.676 -4.169 -0.694 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.234 -1.802 -1.225 1.00 0.52 C ATOM 0 H LEU A2075 10.995 -3.025 -4.207 1.00 0.43 H new ATOM 0 HA LEU A2075 13.674 -1.951 -3.895 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.772 -4.686 -3.025 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.933 -3.613 -2.269 1.00 0.49 H new ATOM 0 HG LEU A2075 10.964 -3.060 -2.371 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.905 -3.804 -0.016 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.362 -5.121 -1.122 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.607 -4.308 -0.144 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.446 -1.490 -0.539 1.00 0.52 H new ATOM 0 HD22 LEU A2075 13.180 -1.865 -0.687 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.323 -1.073 -2.031 1.00 0.52 H new ATOM 444 N GLY A2076 13.002 -4.120 -6.136 1.00 0.57 N ATOM 445 CA GLY A2076 13.540 -4.918 -7.221 1.00 0.67 C ATOM 446 C GLY A2076 13.730 -6.372 -6.845 1.00 0.65 C ATOM 447 O GLY A2076 14.453 -7.102 -7.519 1.00 0.93 O ATOM 0 H GLY A2076 12.004 -3.923 -6.209 1.00 0.57 H new ATOM 0 HA2 GLY A2076 12.870 -4.854 -8.079 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.497 -4.500 -7.532 1.00 0.67 H new ATOM 451 N HIS A2077 13.071 -6.807 -5.779 1.00 0.51 N ATOM 452 CA HIS A2077 13.240 -8.176 -5.302 1.00 0.66 C ATOM 453 C HIS A2077 12.079 -9.057 -5.753 1.00 0.68 C ATOM 454 O HIS A2077 12.148 -10.281 -5.682 1.00 0.97 O ATOM 455 CB HIS A2077 13.392 -8.210 -3.773 1.00 0.81 C ATOM 456 CG HIS A2077 12.121 -8.129 -2.994 1.00 0.50 C ATOM 457 ND1 HIS A2077 11.526 -9.223 -2.415 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.357 -7.069 -2.663 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.450 -8.839 -1.764 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.326 -7.532 -1.894 1.00 0.80 N ATOM 0 H HIS A2077 12.422 -6.241 -5.233 1.00 0.51 H new ATOM 0 HA HIS A2077 14.155 -8.574 -5.740 1.00 0.66 H new ATOM 0 HB2 HIS A2077 13.907 -9.130 -3.498 1.00 0.81 H new ATOM 0 HB3 HIS A2077 14.035 -7.383 -3.472 1.00 0.81 H new ATOM 0 HD1 HIS A2077 11.865 -10.183 -2.480 1.00 0.54 H new ATOM 0 HD2 HIS A2077 11.528 -6.043 -2.952 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.780 -9.485 -1.215 1.00 0.61 H new ATOM 469 N HIS A2078 11.015 -8.404 -6.210 1.00 0.62 N ATOM 470 CA HIS A2078 9.820 -9.076 -6.713 1.00 0.69 C ATOM 471 C HIS A2078 9.134 -9.899 -5.623 1.00 0.80 C ATOM 472 O HIS A2078 9.549 -9.879 -4.469 1.00 1.56 O ATOM 473 CB HIS A2078 10.150 -9.936 -7.936 1.00 0.81 C ATOM 474 CG HIS A2078 10.640 -9.131 -9.102 1.00 0.88 C ATOM 475 ND1 HIS A2078 9.824 -8.301 -9.841 1.00 0.93 N ATOM 476 CD2 HIS A2078 11.878 -9.004 -9.631 1.00 0.96 C ATOM 477 CE1 HIS A2078 10.540 -7.698 -10.772 1.00 1.03 C ATOM 478 NE2 HIS A2078 11.788 -8.108 -10.666 1.00 1.05 N ATOM 0 H HIS A2078 10.957 -7.386 -6.242 1.00 0.62 H new ATOM 0 HA HIS A2078 9.115 -8.305 -7.025 1.00 0.69 H new ATOM 0 HB2 HIS A2078 10.909 -10.670 -7.664 1.00 0.81 H new ATOM 0 HB3 HIS A2078 9.261 -10.492 -8.233 1.00 0.81 H new ATOM 0 HD2 HIS A2078 12.771 -9.513 -9.300 1.00 0.96 H new ATOM 0 HE1 HIS A2078 10.167 -6.990 -11.497 1.00 1.03 H new ATOM 0 HE2 HIS A2078 12.562 -7.808 -11.258 1.00 1.05 H new ATOM 487 N THR A2079 8.076 -10.602 -6.015 1.00 0.64 N ATOM 488 CA THR A2079 7.180 -11.335 -5.111 1.00 0.67 C ATOM 489 C THR A2079 6.607 -10.495 -3.965 1.00 0.44 C ATOM 490 O THR A2079 7.318 -10.061 -3.058 1.00 0.54 O ATOM 491 CB THR A2079 7.760 -12.588 -4.476 1.00 1.02 C ATOM 492 OG1 THR A2079 9.043 -12.343 -3.890 1.00 1.82 O ATOM 493 CG2 THR A2079 7.839 -13.735 -5.451 1.00 0.59 C ATOM 0 H THR A2079 7.806 -10.683 -6.995 1.00 0.64 H new ATOM 0 HA THR A2079 6.394 -11.619 -5.811 1.00 0.67 H new ATOM 0 HB THR A2079 7.072 -12.873 -3.680 1.00 1.02 H new ATOM 0 HG1 THR A2079 9.167 -11.379 -3.766 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.260 -14.608 -4.952 1.00 0.59 H new ATOM 0 HG22 THR A2079 6.840 -13.972 -5.816 1.00 0.59 H new ATOM 0 HG23 THR A2079 8.475 -13.455 -6.291 1.00 0.59 H new ATOM 501 N PRO A2080 5.290 -10.318 -3.975 1.00 0.29 N ATOM 502 CA PRO A2080 4.538 -9.647 -2.917 1.00 0.32 C ATOM 503 C PRO A2080 4.276 -10.587 -1.746 1.00 0.45 C ATOM 504 O PRO A2080 3.859 -10.169 -0.668 1.00 0.51 O ATOM 505 CB PRO A2080 3.217 -9.273 -3.615 1.00 0.39 C ATOM 506 CG PRO A2080 3.447 -9.586 -5.057 1.00 0.39 C ATOM 507 CD PRO A2080 4.409 -10.727 -5.046 1.00 0.32 C ATOM 0 HA PRO A2080 5.067 -8.791 -2.497 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.381 -9.846 -3.214 1.00 0.39 H new ATOM 0 HB3 PRO A2080 2.978 -8.219 -3.472 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.517 -9.856 -5.557 1.00 0.39 H new ATOM 0 HG3 PRO A2080 3.857 -8.727 -5.589 1.00 0.39 H new ATOM 0 HD2 PRO A2080 3.920 -11.679 -4.840 1.00 0.32 H new ATOM 0 HD3 PRO A2080 4.933 -10.836 -5.995 1.00 0.32 H new ATOM 515 N GLU A2081 4.521 -11.867 -1.973 1.00 0.53 N ATOM 516 CA GLU A2081 4.376 -12.865 -0.931 1.00 0.64 C ATOM 517 C GLU A2081 5.632 -12.910 -0.068 1.00 0.56 C ATOM 518 O GLU A2081 5.593 -13.343 1.083 1.00 0.70 O ATOM 519 CB GLU A2081 4.101 -14.238 -1.542 1.00 0.84 C ATOM 520 CG GLU A2081 5.161 -14.688 -2.531 1.00 0.93 C ATOM 521 CD GLU A2081 5.008 -16.139 -2.920 1.00 1.28 C ATOM 522 OE1 GLU A2081 4.271 -16.420 -3.884 1.00 1.54 O ATOM 523 OE2 GLU A2081 5.622 -17.006 -2.267 1.00 1.45 O ATOM 0 H GLU A2081 4.822 -12.239 -2.874 1.00 0.53 H new ATOM 0 HA GLU A2081 3.529 -12.592 -0.302 1.00 0.64 H new ATOM 0 HB2 GLU A2081 4.027 -14.974 -0.742 1.00 0.84 H new ATOM 0 HB3 GLU A2081 3.134 -14.215 -2.044 1.00 0.84 H new ATOM 0 HG2 GLU A2081 5.106 -14.067 -3.425 1.00 0.93 H new ATOM 0 HG3 GLU A2081 6.148 -14.534 -2.096 1.00 0.93 H new ATOM 530 N SER A2082 6.741 -12.431 -0.622 1.00 0.43 N ATOM 531 CA SER A2082 8.009 -12.417 0.098 1.00 0.43 C ATOM 532 C SER A2082 8.162 -11.098 0.853 1.00 0.33 C ATOM 533 O SER A2082 9.266 -10.673 1.188 1.00 0.38 O ATOM 534 CB SER A2082 9.168 -12.626 -0.878 1.00 0.54 C ATOM 535 OG SER A2082 10.401 -12.813 -0.203 1.00 0.63 O ATOM 0 H SER A2082 6.787 -12.048 -1.566 1.00 0.43 H new ATOM 0 HA SER A2082 8.022 -13.232 0.822 1.00 0.43 H new ATOM 0 HB2 SER A2082 8.962 -13.493 -1.505 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.244 -11.764 -1.541 1.00 0.54 H new ATOM 0 HG SER A2082 10.517 -12.108 0.468 1.00 0.63 H new ATOM 541 N ILE A2083 7.033 -10.457 1.105 1.00 0.25 N ATOM 542 CA ILE A2083 6.997 -9.176 1.794 1.00 0.17 C ATOM 543 C ILE A2083 6.555 -9.371 3.238 1.00 0.15 C ATOM 544 O ILE A2083 5.453 -9.852 3.492 1.00 0.22 O ATOM 545 CB ILE A2083 6.020 -8.213 1.089 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.344 -8.155 -0.402 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.083 -6.816 1.706 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.581 -7.366 -0.720 1.00 0.22 C ATOM 0 H ILE A2083 6.114 -10.810 0.838 1.00 0.25 H new ATOM 0 HA ILE A2083 7.999 -8.748 1.774 1.00 0.17 H new ATOM 0 HB ILE A2083 5.005 -8.588 1.221 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.465 -9.171 -0.778 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.498 -7.717 -0.932 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.384 -6.158 1.189 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.816 -6.872 2.761 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.094 -6.420 1.608 1.00 0.12 H new ATOM 0 HD11 ILE A2083 7.748 -7.369 -1.797 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.457 -6.340 -0.375 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.438 -7.816 -0.219 1.00 0.22 H new ATOM 560 N SER A2084 7.422 -9.023 4.176 1.00 0.14 N ATOM 561 CA SER A2084 7.104 -9.146 5.589 1.00 0.14 C ATOM 562 C SER A2084 6.358 -7.907 6.077 1.00 0.12 C ATOM 563 O SER A2084 6.932 -6.822 6.146 1.00 0.12 O ATOM 564 CB SER A2084 8.385 -9.341 6.397 1.00 0.19 C ATOM 565 OG SER A2084 9.123 -10.449 5.911 1.00 0.28 O ATOM 0 H SER A2084 8.353 -8.653 3.983 1.00 0.14 H new ATOM 0 HA SER A2084 6.461 -10.015 5.728 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.995 -8.440 6.342 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.138 -9.495 7.447 1.00 0.19 H new ATOM 0 HG SER A2084 9.940 -10.555 6.441 1.00 0.28 H new ATOM 571 N PRO A2085 5.069 -8.056 6.426 1.00 0.12 N ATOM 572 CA PRO A2085 4.234 -6.933 6.856 1.00 0.12 C ATOM 573 C PRO A2085 4.664 -6.368 8.193 1.00 0.12 C ATOM 574 O PRO A2085 4.424 -5.198 8.489 1.00 0.13 O ATOM 575 CB PRO A2085 2.835 -7.532 6.977 1.00 0.15 C ATOM 576 CG PRO A2085 3.049 -8.999 7.137 1.00 0.15 C ATOM 577 CD PRO A2085 4.328 -9.329 6.421 1.00 0.14 C ATOM 0 HA PRO A2085 4.299 -6.104 6.151 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.302 -7.117 7.832 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.236 -7.316 6.092 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.115 -9.268 8.191 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.214 -9.560 6.717 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.881 -10.117 6.932 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.140 -9.679 5.406 1.00 0.14 H new ATOM 585 N ALA A2086 5.290 -7.208 8.995 1.00 0.11 N ATOM 586 CA ALA A2086 5.708 -6.807 10.321 1.00 0.12 C ATOM 587 C ALA A2086 6.980 -5.971 10.274 1.00 0.11 C ATOM 588 O ALA A2086 7.185 -5.095 11.117 1.00 0.14 O ATOM 589 CB ALA A2086 5.906 -8.029 11.198 1.00 0.14 C ATOM 0 H ALA A2086 5.519 -8.171 8.750 1.00 0.11 H new ATOM 0 HA ALA A2086 4.921 -6.187 10.750 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.220 -7.715 12.193 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.969 -8.581 11.271 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.671 -8.670 10.761 1.00 0.14 H new ATOM 595 N THR A2087 7.828 -6.234 9.289 1.00 0.10 N ATOM 596 CA THR A2087 9.021 -5.440 9.097 1.00 0.11 C ATOM 597 C THR A2087 8.641 -4.095 8.533 1.00 0.10 C ATOM 598 O THR A2087 7.693 -3.971 7.755 1.00 0.10 O ATOM 599 CB THR A2087 10.011 -6.093 8.122 1.00 0.14 C ATOM 600 OG1 THR A2087 10.274 -7.449 8.505 1.00 0.16 O ATOM 601 CG2 THR A2087 11.320 -5.304 8.054 1.00 0.16 C ATOM 0 H THR A2087 7.707 -6.990 8.615 1.00 0.10 H new ATOM 0 HA THR A2087 9.502 -5.349 10.071 1.00 0.11 H new ATOM 0 HB THR A2087 9.556 -6.087 7.132 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.905 -7.851 7.872 1.00 0.16 H new ATOM 0 HG21 THR A2087 12.002 -5.790 7.356 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.116 -4.289 7.714 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.777 -5.271 9.043 1.00 0.16 H new ATOM 609 N ALA A2088 9.391 -3.103 8.913 1.00 0.12 N ATOM 610 CA ALA A2088 9.160 -1.764 8.437 1.00 0.12 C ATOM 611 C ALA A2088 9.816 -1.580 7.092 1.00 0.11 C ATOM 612 O ALA A2088 10.894 -2.125 6.852 1.00 0.12 O ATOM 613 CB ALA A2088 9.665 -0.735 9.426 1.00 0.15 C ATOM 0 H ALA A2088 10.176 -3.194 9.557 1.00 0.12 H new ATOM 0 HA ALA A2088 8.085 -1.616 8.331 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.476 0.266 9.038 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.147 -0.859 10.377 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.736 -0.870 9.576 1.00 0.15 H new ATOM 619 N PHE A2089 9.162 -0.845 6.217 1.00 0.10 N ATOM 620 CA PHE A2089 9.671 -0.621 4.865 1.00 0.09 C ATOM 621 C PHE A2089 11.144 -0.238 4.862 1.00 0.09 C ATOM 622 O PHE A2089 11.910 -0.714 4.022 1.00 0.12 O ATOM 623 CB PHE A2089 8.860 0.460 4.174 1.00 0.09 C ATOM 624 CG PHE A2089 7.553 -0.031 3.644 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.511 -0.929 2.598 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.362 0.415 4.192 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.306 -1.376 2.106 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.154 -0.031 3.702 1.00 0.12 C ATOM 629 CZ PHE A2089 5.133 -0.954 2.667 1.00 0.10 C ATOM 0 H PHE A2089 8.272 -0.387 6.412 1.00 0.10 H new ATOM 0 HA PHE A2089 9.572 -1.561 4.323 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.677 1.273 4.877 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.445 0.874 3.353 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.432 -1.285 2.161 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.380 1.119 5.011 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.287 -2.063 1.273 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.229 0.336 4.121 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.191 -1.339 2.305 1.00 0.10 H new ATOM 639 N LYS A2090 11.530 0.617 5.796 1.00 0.12 N ATOM 640 CA LYS A2090 12.915 1.002 5.959 1.00 0.16 C ATOM 641 C LYS A2090 13.829 -0.218 6.008 1.00 0.17 C ATOM 642 O LYS A2090 14.718 -0.371 5.171 1.00 0.20 O ATOM 643 CB LYS A2090 13.079 1.796 7.242 1.00 0.21 C ATOM 644 CG LYS A2090 14.522 2.082 7.569 1.00 0.29 C ATOM 645 CD LYS A2090 15.152 2.967 6.519 1.00 0.38 C ATOM 646 CE LYS A2090 14.850 4.423 6.777 1.00 1.54 C ATOM 647 NZ LYS A2090 15.582 5.316 5.840 1.00 1.69 N ATOM 0 H LYS A2090 10.892 1.060 6.458 1.00 0.12 H new ATOM 0 HA LYS A2090 13.196 1.612 5.100 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.537 2.738 7.153 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.626 1.244 8.066 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.588 2.565 8.544 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.075 1.145 7.639 1.00 0.29 H new ATOM 0 HD2 LYS A2090 16.231 2.813 6.510 1.00 0.38 H new ATOM 0 HD3 LYS A2090 14.782 2.686 5.533 1.00 0.38 H new ATOM 0 HE2 LYS A2090 13.778 4.594 6.679 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.120 4.674 7.803 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 15.347 6.307 6.050 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 16.606 5.171 5.951 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 15.305 5.095 4.862 1.00 1.69 H new ATOM 661 N ASP A2091 13.602 -1.075 6.999 1.00 0.17 N ATOM 662 CA ASP A2091 14.399 -2.292 7.166 1.00 0.20 C ATOM 663 C ASP A2091 14.331 -3.167 5.913 1.00 0.20 C ATOM 664 O ASP A2091 15.289 -3.858 5.561 1.00 0.32 O ATOM 665 CB ASP A2091 13.923 -3.086 8.385 1.00 0.24 C ATOM 666 CG ASP A2091 14.821 -4.270 8.700 1.00 1.23 C ATOM 667 OD1 ASP A2091 14.594 -5.364 8.148 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.752 -4.112 9.518 1.00 1.15 O ATOM 0 H ASP A2091 12.872 -0.951 7.701 1.00 0.17 H new ATOM 0 HA ASP A2091 15.435 -1.993 7.323 1.00 0.20 H new ATOM 0 HB2 ASP A2091 13.883 -2.425 9.251 1.00 0.24 H new ATOM 0 HB3 ASP A2091 12.908 -3.442 8.208 1.00 0.24 H new ATOM 673 N LEU A2092 13.191 -3.112 5.235 1.00 0.16 N ATOM 674 CA LEU A2092 12.965 -3.878 4.017 1.00 0.18 C ATOM 675 C LEU A2092 13.787 -3.353 2.841 1.00 0.19 C ATOM 676 O LEU A2092 14.007 -4.072 1.866 1.00 0.24 O ATOM 677 CB LEU A2092 11.474 -3.863 3.685 1.00 0.17 C ATOM 678 CG LEU A2092 10.611 -4.595 4.709 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.134 -4.341 4.490 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.895 -6.077 4.649 1.00 0.23 C ATOM 0 H LEU A2092 12.398 -2.535 5.515 1.00 0.16 H new ATOM 0 HA LEU A2092 13.294 -4.902 4.193 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.137 -2.829 3.612 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.324 -4.317 2.705 1.00 0.17 H new ATOM 0 HG LEU A2092 10.867 -4.210 5.696 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.557 -4.881 5.241 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.932 -3.273 4.575 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.849 -4.686 3.496 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.277 -6.596 5.382 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.666 -6.451 3.651 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.947 -6.255 4.871 1.00 0.23 H new ATOM 692 N GLY A2093 14.248 -2.115 2.928 1.00 0.16 N ATOM 693 CA GLY A2093 15.090 -1.574 1.879 1.00 0.18 C ATOM 694 C GLY A2093 14.520 -0.324 1.244 1.00 0.15 C ATOM 695 O GLY A2093 15.088 0.201 0.284 1.00 0.20 O ATOM 0 H GLY A2093 14.056 -1.477 3.701 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.074 -1.349 2.291 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.233 -2.332 1.109 1.00 0.18 H new ATOM 699 N ILE A2094 13.394 0.150 1.759 1.00 0.13 N ATOM 700 CA ILE A2094 12.771 1.359 1.251 1.00 0.12 C ATOM 701 C ILE A2094 13.576 2.605 1.595 1.00 0.12 C ATOM 702 O ILE A2094 13.973 2.809 2.746 1.00 0.16 O ATOM 703 CB ILE A2094 11.338 1.485 1.794 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.425 0.533 1.032 1.00 0.18 C ATOM 705 CG2 ILE A2094 10.832 2.917 1.713 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.095 1.005 -0.361 1.00 0.32 C ATOM 0 H ILE A2094 12.893 -0.288 2.532 1.00 0.13 H new ATOM 0 HA ILE A2094 12.741 1.280 0.164 1.00 0.12 H new ATOM 0 HB ILE A2094 11.338 1.212 2.849 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.901 -0.446 0.973 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.499 0.403 1.592 1.00 0.18 H new ATOM 0 HG21 ILE A2094 9.816 2.967 2.106 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.481 3.566 2.301 1.00 0.18 H new ATOM 0 HG23 ILE A2094 10.836 3.246 0.674 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.442 0.280 -0.846 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.590 1.970 -0.308 1.00 0.32 H new ATOM 0 HD13 ILE A2094 11.014 1.108 -0.938 1.00 0.32 H new ATOM 718 N ASP A2095 13.829 3.421 0.579 1.00 0.15 N ATOM 719 CA ASP A2095 14.472 4.710 0.774 1.00 0.19 C ATOM 720 C ASP A2095 13.458 5.811 0.514 1.00 0.16 C ATOM 721 O ASP A2095 12.305 5.517 0.211 1.00 0.17 O ATOM 722 CB ASP A2095 15.680 4.878 -0.153 1.00 0.28 C ATOM 723 CG ASP A2095 16.724 3.798 0.038 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.292 3.696 1.144 1.00 1.23 O ATOM 725 OD2 ASP A2095 16.987 3.048 -0.925 1.00 1.86 O ATOM 0 H ASP A2095 13.597 3.210 -0.391 1.00 0.15 H new ATOM 0 HA ASP A2095 14.834 4.769 1.800 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.341 4.869 -1.189 1.00 0.28 H new ATOM 0 HB3 ASP A2095 16.135 5.852 0.025 1.00 0.28 H new ATOM 730 N SER A2096 13.870 7.064 0.608 1.00 0.19 N ATOM 731 CA SER A2096 12.950 8.179 0.400 1.00 0.20 C ATOM 732 C SER A2096 12.379 8.167 -1.022 1.00 0.17 C ATOM 733 O SER A2096 11.212 8.496 -1.244 1.00 0.20 O ATOM 734 CB SER A2096 13.666 9.498 0.678 1.00 0.26 C ATOM 735 OG SER A2096 14.843 9.612 -0.103 1.00 1.32 O ATOM 0 H SER A2096 14.828 7.338 0.825 1.00 0.19 H new ATOM 0 HA SER A2096 12.116 8.072 1.093 1.00 0.20 H new ATOM 0 HB2 SER A2096 12.998 10.331 0.459 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.920 9.562 1.736 1.00 0.26 H new ATOM 0 HG SER A2096 15.283 10.466 0.091 1.00 1.32 H new ATOM 741 N LEU A2097 13.210 7.753 -1.967 1.00 0.17 N ATOM 742 CA LEU A2097 12.840 7.710 -3.375 1.00 0.19 C ATOM 743 C LEU A2097 11.774 6.667 -3.607 1.00 0.18 C ATOM 744 O LEU A2097 10.750 6.923 -4.226 1.00 0.24 O ATOM 745 CB LEU A2097 14.056 7.355 -4.216 1.00 0.23 C ATOM 746 CG LEU A2097 15.280 8.232 -3.990 1.00 1.07 C ATOM 747 CD1 LEU A2097 16.451 7.738 -4.824 1.00 1.61 C ATOM 748 CD2 LEU A2097 14.971 9.687 -4.311 1.00 1.55 C ATOM 0 H LEU A2097 14.161 7.437 -1.779 1.00 0.17 H new ATOM 0 HA LEU A2097 12.459 8.691 -3.660 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.329 6.319 -4.013 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.778 7.411 -5.269 1.00 0.23 H new ATOM 0 HG LEU A2097 15.554 8.168 -2.937 1.00 1.07 H new ATOM 0 HD11 LEU A2097 17.317 8.377 -4.650 1.00 1.61 H new ATOM 0 HD12 LEU A2097 16.693 6.714 -4.541 1.00 1.61 H new ATOM 0 HD13 LEU A2097 16.184 7.769 -5.880 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.861 10.294 -4.142 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.666 9.773 -5.354 1.00 1.55 H new ATOM 0 HD23 LEU A2097 14.165 10.038 -3.667 1.00 1.55 H new ATOM 760 N THR A2098 12.030 5.479 -3.121 1.00 0.14 N ATOM 761 CA THR A2098 11.078 4.404 -3.277 1.00 0.15 C ATOM 762 C THR A2098 9.867 4.547 -2.373 1.00 0.16 C ATOM 763 O THR A2098 8.792 4.042 -2.693 1.00 0.17 O ATOM 764 CB THR A2098 11.710 3.036 -3.096 1.00 0.15 C ATOM 765 OG1 THR A2098 12.820 3.115 -2.188 1.00 0.17 O ATOM 766 CG2 THR A2098 12.150 2.516 -4.446 1.00 0.19 C ATOM 0 H THR A2098 12.882 5.231 -2.618 1.00 0.14 H new ATOM 0 HA THR A2098 10.730 4.483 -4.307 1.00 0.15 H new ATOM 0 HB THR A2098 10.982 2.347 -2.669 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.217 2.226 -2.079 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.606 1.533 -4.326 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.285 2.437 -5.105 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.877 3.202 -4.881 1.00 0.19 H new ATOM 774 N ALA A2099 10.032 5.228 -1.248 1.00 0.16 N ATOM 775 CA ALA A2099 8.892 5.587 -0.414 1.00 0.18 C ATOM 776 C ALA A2099 7.938 6.465 -1.213 1.00 0.21 C ATOM 777 O ALA A2099 6.748 6.578 -0.915 1.00 0.24 O ATOM 778 CB ALA A2099 9.354 6.311 0.841 1.00 0.18 C ATOM 0 H ALA A2099 10.936 5.541 -0.893 1.00 0.16 H new ATOM 0 HA ALA A2099 8.374 4.678 -0.108 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.489 6.571 1.451 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.018 5.662 1.412 1.00 0.18 H new ATOM 0 HB3 ALA A2099 9.887 7.220 0.561 1.00 0.18 H new ATOM 784 N LEU A2100 8.492 7.059 -2.251 1.00 0.20 N ATOM 785 CA LEU A2100 7.755 7.889 -3.170 1.00 0.24 C ATOM 786 C LEU A2100 7.108 6.997 -4.214 1.00 0.20 C ATOM 787 O LEU A2100 5.910 7.092 -4.479 1.00 0.21 O ATOM 788 CB LEU A2100 8.747 8.901 -3.777 1.00 0.30 C ATOM 789 CG LEU A2100 8.383 9.603 -5.090 1.00 0.24 C ATOM 790 CD1 LEU A2100 8.552 8.694 -6.297 1.00 1.03 C ATOM 791 CD2 LEU A2100 6.985 10.197 -5.026 1.00 1.15 C ATOM 0 H LEU A2100 9.483 6.974 -2.479 1.00 0.20 H new ATOM 0 HA LEU A2100 6.955 8.446 -2.683 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.927 9.674 -3.030 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.693 8.382 -3.933 1.00 0.30 H new ATOM 0 HG LEU A2100 9.088 10.424 -5.219 1.00 0.24 H new ATOM 0 HD11 LEU A2100 8.282 9.237 -7.202 1.00 1.03 H new ATOM 0 HD12 LEU A2100 9.590 8.369 -6.365 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.905 7.823 -6.190 1.00 1.03 H new ATOM 0 HD21 LEU A2100 6.755 10.688 -5.971 1.00 1.15 H new ATOM 0 HD22 LEU A2100 6.260 9.403 -4.844 1.00 1.15 H new ATOM 0 HD23 LEU A2100 6.936 10.926 -4.217 1.00 1.15 H new ATOM 803 N GLU A2101 7.923 6.125 -4.795 1.00 0.21 N ATOM 804 CA GLU A2101 7.462 5.180 -5.812 1.00 0.20 C ATOM 805 C GLU A2101 6.305 4.313 -5.307 1.00 0.17 C ATOM 806 O GLU A2101 5.341 4.070 -6.037 1.00 0.17 O ATOM 807 CB GLU A2101 8.614 4.298 -6.268 1.00 0.23 C ATOM 808 CG GLU A2101 9.817 5.096 -6.715 1.00 0.28 C ATOM 809 CD GLU A2101 10.745 4.327 -7.635 1.00 0.33 C ATOM 810 OE1 GLU A2101 11.660 3.648 -7.122 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.562 4.377 -8.867 1.00 0.45 O ATOM 0 H GLU A2101 8.917 6.051 -4.578 1.00 0.21 H new ATOM 0 HA GLU A2101 7.093 5.762 -6.656 1.00 0.20 H new ATOM 0 HB2 GLU A2101 8.905 3.636 -5.452 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.278 3.664 -7.089 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.476 5.997 -7.226 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.375 5.420 -5.837 1.00 0.28 H new ATOM 818 N LEU A2102 6.408 3.838 -4.067 1.00 0.16 N ATOM 819 CA LEU A2102 5.327 3.088 -3.445 1.00 0.16 C ATOM 820 C LEU A2102 4.057 3.894 -3.435 1.00 0.16 C ATOM 821 O LEU A2102 3.049 3.501 -4.013 1.00 0.21 O ATOM 822 CB LEU A2102 5.674 2.744 -2.009 1.00 0.22 C ATOM 823 CG LEU A2102 6.704 1.651 -1.831 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.612 1.084 -0.439 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.503 0.567 -2.862 1.00 1.13 C ATOM 0 H LEU A2102 7.230 3.961 -3.476 1.00 0.16 H new ATOM 0 HA LEU A2102 5.186 2.177 -4.026 1.00 0.16 H new ATOM 0 HB2 LEU A2102 6.038 3.645 -1.516 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.761 2.445 -1.495 1.00 0.22 H new ATOM 0 HG LEU A2102 7.699 2.074 -1.972 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.356 0.297 -0.317 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.796 1.874 0.289 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.616 0.670 -0.280 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.252 -0.212 -2.721 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.507 0.138 -2.750 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.605 0.991 -3.861 1.00 1.13 H new ATOM 837 N ARG A2103 4.132 5.018 -2.755 1.00 0.18 N ATOM 838 CA ARG A2103 3.036 5.957 -2.670 1.00 0.25 C ATOM 839 C ARG A2103 2.445 6.243 -4.049 1.00 0.22 C ATOM 840 O ARG A2103 1.228 6.273 -4.212 1.00 0.24 O ATOM 841 CB ARG A2103 3.546 7.237 -2.011 1.00 0.37 C ATOM 842 CG ARG A2103 2.668 8.446 -2.237 1.00 0.72 C ATOM 843 CD ARG A2103 3.222 9.331 -3.343 1.00 0.65 C ATOM 844 NE ARG A2103 2.393 10.505 -3.582 1.00 1.21 N ATOM 845 CZ ARG A2103 2.665 11.434 -4.495 1.00 1.49 C ATOM 846 NH1 ARG A2103 3.742 11.324 -5.261 1.00 1.92 N ATOM 847 NH2 ARG A2103 1.857 12.466 -4.649 1.00 2.11 N ATOM 0 H ARG A2103 4.964 5.308 -2.241 1.00 0.18 H new ATOM 0 HA ARG A2103 2.235 5.530 -2.067 1.00 0.25 H new ATOM 0 HB2 ARG A2103 3.640 7.067 -0.939 1.00 0.37 H new ATOM 0 HB3 ARG A2103 4.545 7.453 -2.389 1.00 0.37 H new ATOM 0 HG2 ARG A2103 1.660 8.123 -2.497 1.00 0.72 H new ATOM 0 HG3 ARG A2103 2.590 9.020 -1.313 1.00 0.72 H new ATOM 0 HD2 ARG A2103 4.231 9.649 -3.079 1.00 0.65 H new ATOM 0 HD3 ARG A2103 3.301 8.752 -4.263 1.00 0.65 H new ATOM 0 HE ARG A2103 1.553 10.622 -3.015 1.00 1.21 H new ATOM 0 HH11 ARG A2103 4.366 10.525 -5.152 1.00 1.92 H new ATOM 0 HH12 ARG A2103 3.946 12.039 -5.959 1.00 1.92 H new ATOM 0 HH21 ARG A2103 1.023 12.552 -4.068 1.00 2.11 H new ATOM 0 HH22 ARG A2103 2.066 13.178 -5.349 1.00 2.11 H new ATOM 861 N ASN A2104 3.319 6.423 -5.031 1.00 0.21 N ATOM 862 CA ASN A2104 2.911 6.652 -6.410 1.00 0.22 C ATOM 863 C ASN A2104 2.060 5.499 -6.932 1.00 0.23 C ATOM 864 O ASN A2104 0.992 5.710 -7.501 1.00 0.29 O ATOM 865 CB ASN A2104 4.154 6.837 -7.284 1.00 0.23 C ATOM 866 CG ASN A2104 4.559 8.290 -7.419 1.00 0.31 C ATOM 867 OD1 ASN A2104 3.724 9.194 -7.361 1.00 0.40 O ATOM 868 ND2 ASN A2104 5.842 8.521 -7.618 1.00 0.36 N ATOM 0 H ASN A2104 4.330 6.414 -4.894 1.00 0.21 H new ATOM 0 HA ASN A2104 2.302 7.555 -6.448 1.00 0.22 H new ATOM 0 HB2 ASN A2104 4.982 6.271 -6.857 1.00 0.23 H new ATOM 0 HB3 ASN A2104 3.962 6.423 -8.274 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.176 9.478 -7.731 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.500 7.743 -7.659 1.00 0.36 H new ATOM 875 N THR A2105 2.529 4.284 -6.702 1.00 0.21 N ATOM 876 CA THR A2105 1.836 3.088 -7.163 1.00 0.24 C ATOM 877 C THR A2105 0.541 2.858 -6.377 1.00 0.22 C ATOM 878 O THR A2105 -0.495 2.520 -6.952 1.00 0.24 O ATOM 879 CB THR A2105 2.749 1.854 -7.023 1.00 0.28 C ATOM 880 OG1 THR A2105 4.032 2.135 -7.601 1.00 0.33 O ATOM 881 CG2 THR A2105 2.139 0.637 -7.704 1.00 0.28 C ATOM 0 H THR A2105 3.394 4.097 -6.195 1.00 0.21 H new ATOM 0 HA THR A2105 1.582 3.236 -8.213 1.00 0.24 H new ATOM 0 HB THR A2105 2.861 1.632 -5.962 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.538 2.725 -7.004 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.806 -0.217 -7.588 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.176 0.410 -7.248 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.998 0.846 -8.764 1.00 0.28 H new ATOM 889 N LEU A2106 0.601 3.058 -5.065 1.00 0.20 N ATOM 890 CA LEU A2106 -0.538 2.803 -4.191 1.00 0.19 C ATOM 891 C LEU A2106 -1.658 3.807 -4.432 1.00 0.18 C ATOM 892 O LEU A2106 -2.818 3.424 -4.559 1.00 0.22 O ATOM 893 CB LEU A2106 -0.101 2.857 -2.727 1.00 0.28 C ATOM 894 CG LEU A2106 1.075 1.949 -2.366 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.416 2.080 -0.890 1.00 1.25 C ATOM 896 CD2 LEU A2106 0.770 0.502 -2.720 1.00 1.47 C ATOM 0 H LEU A2106 1.432 3.398 -4.581 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.918 1.807 -4.420 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.165 3.885 -2.481 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.952 2.590 -2.100 1.00 0.28 H new ATOM 0 HG LEU A2106 1.941 2.264 -2.949 1.00 0.50 H new ATOM 0 HD11 LEU A2106 2.255 1.427 -0.651 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.686 3.113 -0.669 1.00 1.25 H new ATOM 0 HD13 LEU A2106 0.552 1.795 -0.290 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.621 -0.125 -2.454 1.00 1.47 H new ATOM 0 HD22 LEU A2106 -0.111 0.171 -2.170 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.581 0.421 -3.790 1.00 1.47 H new ATOM 908 N THR A2107 -1.312 5.088 -4.504 1.00 0.19 N ATOM 909 CA THR A2107 -2.309 6.128 -4.725 1.00 0.27 C ATOM 910 C THR A2107 -2.905 5.988 -6.129 1.00 0.29 C ATOM 911 O THR A2107 -4.052 6.357 -6.377 1.00 0.33 O ATOM 912 CB THR A2107 -1.713 7.546 -4.508 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.754 8.499 -4.295 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.864 7.999 -5.685 1.00 0.44 C ATOM 0 H THR A2107 -0.355 5.429 -4.413 1.00 0.19 H new ATOM 0 HA THR A2107 -3.105 6.001 -3.991 1.00 0.27 H new ATOM 0 HB THR A2107 -1.074 7.485 -3.627 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.402 8.445 -5.029 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.469 8.996 -5.487 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.037 7.303 -5.827 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.476 8.024 -6.587 1.00 0.44 H new ATOM 922 N HIS A2108 -2.110 5.432 -7.035 1.00 0.29 N ATOM 923 CA HIS A2108 -2.555 5.119 -8.387 1.00 0.35 C ATOM 924 C HIS A2108 -3.567 3.978 -8.363 1.00 0.35 C ATOM 925 O HIS A2108 -4.629 4.048 -8.980 1.00 0.47 O ATOM 926 CB HIS A2108 -1.345 4.725 -9.226 1.00 0.38 C ATOM 927 CG HIS A2108 -1.643 4.467 -10.668 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.700 5.459 -11.621 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.892 3.310 -11.313 1.00 1.06 C ATOM 930 CE1 HIS A2108 -1.974 4.920 -12.794 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.096 3.614 -12.635 1.00 1.29 N ATOM 0 H HIS A2108 -1.137 5.185 -6.853 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.037 5.995 -8.822 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.600 5.518 -9.159 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.897 3.829 -8.795 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.925 2.325 -10.871 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.080 5.456 -13.726 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.307 2.943 -13.373 1.00 1.29 H new ATOM 940 N ASN A2109 -3.211 2.932 -7.641 1.00 0.27 N ATOM 941 CA ASN A2109 -4.025 1.719 -7.553 1.00 0.28 C ATOM 942 C ASN A2109 -5.330 1.936 -6.789 1.00 0.28 C ATOM 943 O ASN A2109 -6.375 1.404 -7.163 1.00 0.36 O ATOM 944 CB ASN A2109 -3.217 0.605 -6.895 1.00 0.28 C ATOM 945 CG ASN A2109 -2.488 -0.257 -7.906 1.00 0.35 C ATOM 946 OD1 ASN A2109 -3.012 -1.265 -8.375 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.273 0.137 -8.251 1.00 0.39 N ATOM 0 H ASN A2109 -2.350 2.893 -7.096 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.296 1.438 -8.571 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.494 1.043 -6.207 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.883 -0.021 -6.302 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.735 -0.402 -8.930 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.874 0.980 -7.838 1.00 0.39 H new ATOM 954 N THR A2110 -5.266 2.713 -5.720 1.00 0.25 N ATOM 955 CA THR A2110 -6.433 2.994 -4.899 1.00 0.26 C ATOM 956 C THR A2110 -7.267 4.096 -5.540 1.00 0.27 C ATOM 957 O THR A2110 -8.470 4.217 -5.299 1.00 0.33 O ATOM 958 CB THR A2110 -6.009 3.394 -3.477 1.00 0.27 C ATOM 959 OG1 THR A2110 -5.076 4.481 -3.536 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.366 2.214 -2.764 1.00 0.29 C ATOM 0 H THR A2110 -4.410 3.164 -5.398 1.00 0.25 H new ATOM 0 HA THR A2110 -7.040 2.091 -4.830 1.00 0.26 H new ATOM 0 HB THR A2110 -6.896 3.703 -2.924 1.00 0.27 H new ATOM 0 HG1 THR A2110 -4.171 4.129 -3.669 1.00 0.24 H new ATOM 0 HG21 THR A2110 -5.071 2.513 -1.758 1.00 0.29 H new ATOM 0 HG22 THR A2110 -6.080 1.392 -2.704 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.486 1.890 -3.319 1.00 0.29 H new ATOM 968 N GLY A2111 -6.606 4.886 -6.382 1.00 0.23 N ATOM 969 CA GLY A2111 -7.283 5.926 -7.123 1.00 0.26 C ATOM 970 C GLY A2111 -7.486 7.177 -6.298 1.00 0.29 C ATOM 971 O GLY A2111 -8.218 8.084 -6.692 1.00 0.36 O ATOM 0 H GLY A2111 -5.604 4.820 -6.562 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.704 6.170 -8.014 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.250 5.556 -7.463 1.00 0.26 H new ATOM 975 N LEU A2112 -6.839 7.213 -5.147 1.00 0.28 N ATOM 976 CA LEU A2112 -6.931 8.338 -4.238 1.00 0.34 C ATOM 977 C LEU A2112 -5.751 9.262 -4.442 1.00 0.29 C ATOM 978 O LEU A2112 -5.109 9.254 -5.496 1.00 0.29 O ATOM 979 CB LEU A2112 -6.924 7.847 -2.798 1.00 0.43 C ATOM 980 CG LEU A2112 -7.333 6.397 -2.592 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.861 5.951 -1.238 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.833 6.199 -2.710 1.00 0.47 C ATOM 0 H LEU A2112 -6.234 6.461 -4.817 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.859 8.872 -4.440 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -5.922 7.983 -2.392 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.593 8.480 -2.215 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.871 5.797 -3.377 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.148 4.912 -1.077 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.776 6.041 -1.183 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.316 6.576 -0.470 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.074 5.147 -2.555 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.340 6.803 -1.957 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.163 6.505 -3.703 1.00 0.47 H new ATOM 994 N ASP A2113 -5.483 10.058 -3.430 1.00 0.28 N ATOM 995 CA ASP A2113 -4.372 10.990 -3.463 1.00 0.28 C ATOM 996 C ASP A2113 -3.663 10.992 -2.130 1.00 0.30 C ATOM 997 O ASP A2113 -4.227 11.362 -1.097 1.00 0.35 O ATOM 998 CB ASP A2113 -4.852 12.382 -3.802 1.00 0.34 C ATOM 999 CG ASP A2113 -3.730 13.402 -3.823 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -3.034 13.499 -4.854 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.538 14.115 -2.814 1.00 0.43 O ATOM 0 H ASP A2113 -6.024 10.080 -2.565 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.674 10.672 -4.237 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.340 12.366 -4.776 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.603 12.690 -3.074 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.424 10.584 -2.180 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.642 10.314 -0.987 1.00 0.30 C ATOM 1008 C LEU A2114 -0.310 11.051 -1.011 1.00 0.30 C ATOM 1009 O LEU A2114 0.241 11.330 -2.078 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.398 8.811 -0.880 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.664 7.959 -0.870 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.314 6.485 -0.824 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.545 8.342 0.307 1.00 0.91 C ATOM 0 H LEU A2114 -1.918 10.426 -3.052 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.202 10.669 -0.121 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.772 8.498 -1.716 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.835 8.612 0.032 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.218 8.146 -1.790 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.230 5.894 -0.817 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.720 6.225 -1.700 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.740 6.275 0.079 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.445 7.727 0.303 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.000 8.181 1.237 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.823 9.393 0.226 1.00 0.91 H new ATOM 1025 N PRO A2115 0.219 11.368 0.180 1.00 0.29 N ATOM 1026 CA PRO A2115 1.510 12.042 0.340 1.00 0.31 C ATOM 1027 C PRO A2115 2.685 11.086 0.182 1.00 0.28 C ATOM 1028 O PRO A2115 2.572 9.897 0.475 1.00 0.25 O ATOM 1029 CB PRO A2115 1.453 12.520 1.786 1.00 0.33 C ATOM 1030 CG PRO A2115 0.667 11.462 2.466 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.411 11.093 1.488 1.00 0.30 C ATOM 0 HA PRO A2115 1.659 12.825 -0.404 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.450 12.619 2.216 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.971 13.494 1.869 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.290 10.602 2.710 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.244 11.825 3.403 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.702 10.047 1.584 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.311 11.689 1.636 1.00 0.30 H new ATOM 1039 N PRO A2116 3.842 11.598 -0.251 1.00 0.33 N ATOM 1040 CA PRO A2116 5.067 10.803 -0.344 1.00 0.36 C ATOM 1041 C PRO A2116 5.640 10.485 1.036 1.00 0.34 C ATOM 1042 O PRO A2116 6.685 9.848 1.157 1.00 0.43 O ATOM 1043 CB PRO A2116 6.018 11.707 -1.127 1.00 0.44 C ATOM 1044 CG PRO A2116 5.539 13.089 -0.855 1.00 0.46 C ATOM 1045 CD PRO A2116 4.049 12.989 -0.696 1.00 0.43 C ATOM 0 HA PRO A2116 4.900 9.836 -0.818 1.00 0.36 H new ATOM 0 HB2 PRO A2116 7.049 11.574 -0.800 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.990 11.481 -2.193 1.00 0.44 H new ATOM 0 HG2 PRO A2116 6.001 13.491 0.046 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.800 13.760 -1.673 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.675 13.704 0.036 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.531 13.192 -1.633 1.00 0.43 H new ATOM 1053 N THR A2117 4.945 10.939 2.074 1.00 0.27 N ATOM 1054 CA THR A2117 5.364 10.696 3.441 1.00 0.24 C ATOM 1055 C THR A2117 4.575 9.555 4.081 1.00 0.17 C ATOM 1056 O THR A2117 4.756 9.265 5.263 1.00 0.15 O ATOM 1057 CB THR A2117 5.228 11.972 4.290 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.950 12.584 4.058 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.334 12.959 3.953 1.00 0.36 C ATOM 0 H THR A2117 4.085 11.480 1.988 1.00 0.27 H new ATOM 0 HA THR A2117 6.413 10.403 3.408 1.00 0.24 H new ATOM 0 HB THR A2117 5.311 11.695 5.341 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.871 13.394 4.604 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.221 13.855 4.564 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.303 12.502 4.155 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.272 13.228 2.899 1.00 0.36 H new ATOM 1067 N LEU A2118 3.692 8.925 3.295 1.00 0.16 N ATOM 1068 CA LEU A2118 2.979 7.712 3.718 1.00 0.16 C ATOM 1069 C LEU A2118 3.869 6.769 4.497 1.00 0.16 C ATOM 1070 O LEU A2118 3.634 6.484 5.670 1.00 0.19 O ATOM 1071 CB LEU A2118 2.505 6.927 2.505 1.00 0.23 C ATOM 1072 CG LEU A2118 1.304 7.466 1.764 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.984 6.523 0.622 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.126 7.598 2.712 1.00 0.77 C ATOM 0 H LEU A2118 3.453 9.239 2.354 1.00 0.16 H new ATOM 0 HA LEU A2118 2.150 8.053 4.339 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.334 6.858 1.801 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.276 5.911 2.828 1.00 0.23 H new ATOM 0 HG LEU A2118 1.517 8.457 1.363 1.00 0.33 H new ATOM 0 HD11 LEU A2118 0.118 6.896 0.074 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.840 6.462 -0.050 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.763 5.532 1.019 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.736 7.987 2.170 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.118 6.620 3.127 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.385 8.281 3.521 1.00 0.77 H new ATOM 1086 N ILE A2119 4.878 6.283 3.794 1.00 0.15 N ATOM 1087 CA ILE A2119 5.794 5.273 4.304 1.00 0.18 C ATOM 1088 C ILE A2119 6.468 5.728 5.597 1.00 0.20 C ATOM 1089 O ILE A2119 6.888 4.912 6.409 1.00 0.28 O ATOM 1090 CB ILE A2119 6.893 4.963 3.267 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.324 4.887 1.838 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.609 3.670 3.623 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.248 3.847 1.621 1.00 0.20 C ATOM 0 H ILE A2119 5.088 6.581 2.841 1.00 0.15 H new ATOM 0 HA ILE A2119 5.202 4.380 4.503 1.00 0.18 H new ATOM 0 HB ILE A2119 7.610 5.783 3.292 1.00 0.19 H new ATOM 0 HG12 ILE A2119 5.919 5.864 1.574 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.144 4.685 1.149 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.381 3.466 2.881 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.067 3.767 4.607 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.892 2.849 3.636 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.917 3.877 0.583 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.647 2.858 1.846 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.403 4.055 2.278 1.00 0.20 H new ATOM 1105 N PHE A2120 6.574 7.034 5.779 1.00 0.17 N ATOM 1106 CA PHE A2120 7.234 7.593 6.936 1.00 0.19 C ATOM 1107 C PHE A2120 6.290 7.687 8.134 1.00 0.20 C ATOM 1108 O PHE A2120 6.716 7.565 9.285 1.00 0.26 O ATOM 1109 CB PHE A2120 7.782 8.966 6.573 1.00 0.19 C ATOM 1110 CG PHE A2120 8.947 8.886 5.637 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.000 8.019 5.875 1.00 0.31 C ATOM 1112 CD2 PHE A2120 8.996 9.704 4.522 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.080 7.970 5.015 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.067 9.659 3.660 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.099 8.683 3.897 1.00 0.38 C ATOM 0 H PHE A2120 6.205 7.729 5.130 1.00 0.17 H new ATOM 0 HA PHE A2120 8.051 6.934 7.228 1.00 0.19 H new ATOM 0 HB2 PHE A2120 6.991 9.560 6.115 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.085 9.485 7.482 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.977 7.375 6.741 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.183 10.387 4.326 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.923 7.340 5.257 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.132 10.340 2.824 1.00 0.34 H new ATOM 0 HZ PHE A2120 11.883 8.533 3.169 1.00 0.38 H new ATOM 1125 N ASP A2121 5.011 7.905 7.859 1.00 0.17 N ATOM 1126 CA ASP A2121 4.009 8.047 8.916 1.00 0.22 C ATOM 1127 C ASP A2121 3.415 6.697 9.290 1.00 0.20 C ATOM 1128 O ASP A2121 3.172 6.410 10.462 1.00 0.29 O ATOM 1129 CB ASP A2121 2.889 8.984 8.471 1.00 0.29 C ATOM 1130 CG ASP A2121 1.969 9.367 9.614 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.779 8.991 9.577 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.433 10.030 10.565 1.00 0.88 O ATOM 0 H ASP A2121 4.639 7.988 6.913 1.00 0.17 H new ATOM 0 HA ASP A2121 4.508 8.468 9.789 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.323 9.886 8.040 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.307 8.503 7.685 1.00 0.29 H new ATOM 1137 N HIS A2122 3.197 5.871 8.281 1.00 0.14 N ATOM 1138 CA HIS A2122 2.596 4.553 8.465 1.00 0.14 C ATOM 1139 C HIS A2122 3.538 3.506 7.890 1.00 0.14 C ATOM 1140 O HIS A2122 3.261 2.918 6.845 1.00 0.14 O ATOM 1141 CB HIS A2122 1.253 4.440 7.734 1.00 0.16 C ATOM 1142 CG HIS A2122 0.345 5.626 7.866 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.742 5.658 8.710 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.345 6.815 7.215 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.370 6.809 8.571 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.733 7.530 7.670 1.00 0.40 N ATOM 0 H HIS A2122 3.429 6.090 7.312 1.00 0.14 H new ATOM 0 HA HIS A2122 2.428 4.400 9.531 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.449 4.270 6.675 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.729 3.560 8.107 1.00 0.16 H new ATOM 0 HD2 HIS A2122 1.062 7.139 6.475 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.258 7.111 9.106 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -0.998 8.466 7.362 1.00 0.40 H new ATOM 1155 N PRO A2123 4.666 3.263 8.549 1.00 0.16 N ATOM 1156 CA PRO A2123 5.700 2.415 8.012 1.00 0.17 C ATOM 1157 C PRO A2123 5.545 0.967 8.435 1.00 0.15 C ATOM 1158 O PRO A2123 5.795 0.616 9.583 1.00 0.19 O ATOM 1159 CB PRO A2123 6.964 3.006 8.651 1.00 0.20 C ATOM 1160 CG PRO A2123 6.496 3.913 9.752 1.00 0.25 C ATOM 1161 CD PRO A2123 5.008 3.746 9.856 1.00 0.20 C ATOM 0 HA PRO A2123 5.696 2.396 6.922 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.606 2.218 9.044 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.550 3.558 7.916 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.980 3.656 10.695 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.753 4.949 9.533 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.731 3.038 10.637 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.508 4.687 10.086 1.00 0.20 H new ATOM 1169 N THR A2124 5.071 0.183 7.482 1.00 0.12 N ATOM 1170 CA THR A2124 5.165 -1.269 7.393 1.00 0.10 C ATOM 1171 C THR A2124 4.200 -1.655 6.290 1.00 0.10 C ATOM 1172 O THR A2124 3.279 -0.875 6.024 1.00 0.11 O ATOM 1173 CB THR A2124 4.823 -2.048 8.686 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.715 -1.457 9.367 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.023 -2.120 9.602 1.00 0.11 C ATOM 0 H THR A2124 4.569 0.575 6.685 1.00 0.12 H new ATOM 0 HA THR A2124 6.204 -1.537 7.203 1.00 0.10 H new ATOM 0 HB THR A2124 4.544 -3.061 8.398 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.519 -1.969 10.179 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.759 -2.672 10.504 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.841 -2.629 9.091 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.336 -1.111 9.872 1.00 0.11 H new ATOM 1183 N PRO A2125 4.343 -2.792 5.605 1.00 0.11 N ATOM 1184 CA PRO A2125 3.301 -3.220 4.684 1.00 0.12 C ATOM 1185 C PRO A2125 1.962 -3.293 5.412 1.00 0.13 C ATOM 1186 O PRO A2125 0.935 -2.862 4.891 1.00 0.14 O ATOM 1187 CB PRO A2125 3.757 -4.597 4.212 1.00 0.12 C ATOM 1188 CG PRO A2125 5.230 -4.611 4.447 1.00 0.12 C ATOM 1189 CD PRO A2125 5.489 -3.713 5.629 1.00 0.11 C ATOM 0 HA PRO A2125 3.157 -2.535 3.848 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.260 -5.391 4.769 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.523 -4.752 3.159 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.580 -5.624 4.646 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.766 -4.256 3.567 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.534 -4.276 6.561 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.436 -3.181 5.532 1.00 0.11 H new ATOM 1197 N HIS A2126 2.008 -3.778 6.657 1.00 0.13 N ATOM 1198 CA HIS A2126 0.828 -3.855 7.510 1.00 0.15 C ATOM 1199 C HIS A2126 0.255 -2.468 7.811 1.00 0.14 C ATOM 1200 O HIS A2126 -0.942 -2.267 7.660 1.00 0.16 O ATOM 1201 CB HIS A2126 1.187 -4.613 8.797 1.00 0.18 C ATOM 1202 CG HIS A2126 0.257 -4.388 9.957 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -0.985 -4.978 10.060 1.00 0.35 N ATOM 1204 CD2 HIS A2126 0.406 -3.635 11.074 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.558 -4.598 11.188 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -0.736 -3.786 11.819 1.00 0.40 N ATOM 0 H HIS A2126 2.861 -4.125 7.095 1.00 0.13 H new ATOM 0 HA HIS A2126 0.045 -4.400 6.984 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.213 -5.680 8.575 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.194 -4.326 9.099 1.00 0.18 H new ATOM 0 HD2 HIS A2126 1.263 -3.030 11.330 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.535 -4.902 11.534 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -0.919 -3.340 12.718 1.00 0.40 H new ATOM 1215 N ALA A2127 1.098 -1.517 8.219 1.00 0.13 N ATOM 1216 CA ALA A2127 0.621 -0.162 8.538 1.00 0.12 C ATOM 1217 C ALA A2127 -0.123 0.451 7.360 1.00 0.11 C ATOM 1218 O ALA A2127 -1.153 1.105 7.534 1.00 0.11 O ATOM 1219 CB ALA A2127 1.768 0.756 8.956 1.00 0.13 C ATOM 0 H ALA A2127 2.102 -1.653 8.336 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.066 -0.259 9.378 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.376 1.747 9.183 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.257 0.347 9.840 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.490 0.829 8.143 1.00 0.13 H new ATOM 1225 N LEU A2128 0.394 0.238 6.160 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.251 0.753 4.968 1.00 0.11 C ATOM 1227 C LEU A2128 -1.494 -0.045 4.620 1.00 0.13 C ATOM 1228 O LEU A2128 -2.451 0.503 4.075 1.00 0.14 O ATOM 1229 CB LEU A2128 0.714 0.755 3.798 1.00 0.11 C ATOM 1230 CG LEU A2128 1.824 1.789 3.898 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.673 1.737 2.651 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.246 3.184 4.107 1.00 0.12 C ATOM 0 H LEU A2128 1.253 -0.285 5.989 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.556 1.778 5.176 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.163 -0.234 3.712 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.152 0.931 2.880 1.00 0.11 H new ATOM 0 HG LEU A2128 2.449 1.560 4.761 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.469 2.478 2.722 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.110 0.744 2.549 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.054 1.952 1.780 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.058 3.908 4.176 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.602 3.441 3.266 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.664 3.203 5.029 1.00 0.12 H new ATOM 1244 N THR A2129 -1.492 -1.329 4.960 1.00 0.15 N ATOM 1245 CA THR A2129 -2.653 -2.170 4.737 1.00 0.17 C ATOM 1246 C THR A2129 -3.837 -1.599 5.501 1.00 0.17 C ATOM 1247 O THR A2129 -4.993 -1.738 5.102 1.00 0.20 O ATOM 1248 CB THR A2129 -2.402 -3.629 5.184 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.245 -4.160 4.524 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.596 -4.511 4.866 1.00 0.18 C ATOM 0 H THR A2129 -0.699 -1.806 5.390 1.00 0.15 H new ATOM 0 HA THR A2129 -2.861 -2.183 3.667 1.00 0.17 H new ATOM 0 HB THR A2129 -2.242 -3.620 6.262 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.435 -3.828 4.966 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.392 -5.531 5.191 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.476 -4.134 5.387 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.779 -4.502 3.791 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.527 -0.928 6.593 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.546 -0.277 7.385 1.00 0.18 C ATOM 1260 C GLN A2130 -4.924 1.062 6.756 1.00 0.17 C ATOM 1261 O GLN A2130 -6.105 1.368 6.592 1.00 0.20 O ATOM 1262 CB GLN A2130 -4.069 -0.059 8.821 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.029 -1.063 9.289 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.724 -0.940 10.763 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.829 -0.198 11.160 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.464 -1.671 11.586 1.00 1.13 N ATOM 0 H GLN A2130 -2.578 -0.821 6.950 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.422 -0.925 7.408 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.653 0.945 8.906 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.929 -0.105 9.489 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.383 -2.072 9.078 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.111 -0.922 8.719 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -4.197 -2.274 11.213 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.300 -1.630 12.592 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.913 1.849 6.385 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.141 3.188 5.848 1.00 0.18 C ATOM 1277 C HIS A2131 -4.957 3.147 4.561 1.00 0.18 C ATOM 1278 O HIS A2131 -5.972 3.832 4.448 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.811 3.903 5.599 1.00 0.23 C ATOM 1280 CG HIS A2131 -2.972 5.304 5.089 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.534 6.314 5.834 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.652 5.855 3.896 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.553 7.424 5.126 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.021 7.178 3.944 1.00 0.31 N ATOM 0 H HIS A2131 -2.931 1.581 6.447 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.712 3.743 6.593 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.240 3.926 6.527 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.227 3.328 4.880 1.00 0.23 H new ATOM 0 HD1 HIS A2131 -3.882 6.218 6.788 1.00 0.32 H new ATOM 0 HD2 HIS A2131 -2.192 5.349 3.060 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -3.939 8.376 5.457 1.00 0.35 H new ATOM 1293 N LEU A2132 -4.516 2.352 3.596 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.210 2.262 2.317 1.00 0.21 C ATOM 1295 C LEU A2132 -6.608 1.694 2.491 1.00 0.21 C ATOM 1296 O LEU A2132 -7.532 2.076 1.775 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.418 1.426 1.303 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.224 2.138 0.659 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.575 3.581 0.356 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.994 2.068 1.545 1.00 0.64 C ATOM 0 H LEU A2132 -3.687 1.763 3.672 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.295 3.276 1.926 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -4.058 0.526 1.801 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -5.097 1.103 0.514 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.991 1.626 -0.275 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.718 4.076 -0.101 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.421 3.613 -0.330 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.838 4.093 1.281 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.165 2.583 1.058 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.207 2.546 2.501 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.725 1.025 1.713 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.772 0.811 3.466 1.00 0.20 N ATOM 1313 CA HIS A2133 -8.073 0.230 3.731 1.00 0.21 C ATOM 1314 C HIS A2133 -8.990 1.286 4.328 1.00 0.21 C ATOM 1315 O HIS A2133 -10.175 1.343 4.013 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.964 -0.973 4.672 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.257 -1.713 4.822 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.741 -2.148 6.032 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.171 -2.088 3.894 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -10.894 -2.759 5.849 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.183 -2.737 4.560 1.00 0.31 N ATOM 0 H HIS A2133 -6.025 0.486 4.080 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.491 -0.124 2.789 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.202 -1.655 4.295 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.630 -0.632 5.652 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -10.115 -1.910 2.830 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.501 -3.204 6.623 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -12.018 -3.135 4.131 1.00 0.31 H new ATOM 1330 N THR A2134 -8.424 2.129 5.180 1.00 0.18 N ATOM 1331 CA THR A2134 -9.170 3.216 5.783 1.00 0.22 C ATOM 1332 C THR A2134 -9.599 4.221 4.721 1.00 0.26 C ATOM 1333 O THR A2134 -10.772 4.570 4.634 1.00 0.34 O ATOM 1334 CB THR A2134 -8.343 3.934 6.866 1.00 0.26 C ATOM 1335 OG1 THR A2134 -7.827 2.979 7.805 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.186 4.963 7.606 1.00 0.36 C ATOM 0 H THR A2134 -7.447 2.078 5.468 1.00 0.18 H new ATOM 0 HA THR A2134 -10.054 2.785 6.253 1.00 0.22 H new ATOM 0 HB THR A2134 -7.518 4.448 6.373 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.005 2.582 7.449 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.577 5.455 8.365 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.556 5.706 6.900 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.030 4.466 8.084 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.643 4.651 3.902 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.886 5.630 2.843 1.00 0.32 C ATOM 1346 C ARG A2135 -10.121 5.298 2.007 1.00 0.40 C ATOM 1347 O ARG A2135 -11.007 6.130 1.835 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.668 5.701 1.931 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.464 6.344 2.579 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.744 7.793 2.920 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.971 8.614 1.731 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.516 9.859 1.589 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -5.854 10.447 2.578 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.749 10.527 0.467 1.00 1.64 N ATOM 0 H ARG A2135 -7.676 4.331 3.953 1.00 0.27 H new ATOM 0 HA ARG A2135 -9.066 6.591 3.325 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.404 4.693 1.613 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.929 6.261 1.033 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.198 5.798 3.484 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.608 6.283 1.907 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.619 7.848 3.568 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -5.904 8.199 3.483 1.00 0.33 H new ATOM 0 HE ARG A2135 -7.510 8.210 0.965 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -5.691 9.946 3.452 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -5.508 11.400 2.464 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -7.277 10.088 -0.288 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -6.401 11.480 0.359 1.00 1.64 H new ATOM 1368 N LEU A2136 -10.162 4.081 1.491 1.00 0.41 N ATOM 1369 CA LEU A2136 -11.228 3.646 0.612 1.00 0.51 C ATOM 1370 C LEU A2136 -12.573 3.567 1.328 1.00 0.58 C ATOM 1371 O LEU A2136 -13.605 3.945 0.776 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.864 2.281 0.048 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.580 2.266 -0.773 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -9.141 0.846 -1.066 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.781 3.037 -2.063 1.00 0.75 C ATOM 0 H LEU A2136 -9.455 3.368 1.672 1.00 0.41 H new ATOM 0 HA LEU A2136 -11.334 4.380 -0.186 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.763 1.575 0.872 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.685 1.927 -0.576 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.793 2.747 -0.192 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -8.223 0.863 -1.653 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.963 0.319 -0.128 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.921 0.333 -1.628 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.859 3.021 -2.644 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.582 2.576 -2.641 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -10.047 4.069 -1.833 1.00 0.75 H new ATOM 1387 N THR A2137 -12.553 3.089 2.560 1.00 0.43 N ATOM 1388 CA THR A2137 -13.775 2.790 3.275 1.00 0.47 C ATOM 1389 C THR A2137 -14.394 4.033 3.903 1.00 0.54 C ATOM 1390 O THR A2137 -15.616 4.185 3.921 1.00 0.68 O ATOM 1391 CB THR A2137 -13.508 1.721 4.343 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.471 2.160 5.228 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.089 0.416 3.682 1.00 0.42 C ATOM 0 H THR A2137 -11.699 2.900 3.085 1.00 0.43 H new ATOM 0 HA THR A2137 -14.496 2.407 2.552 1.00 0.47 H new ATOM 0 HB THR A2137 -14.424 1.560 4.912 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.605 1.834 4.905 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.902 -0.336 4.448 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.884 0.071 3.021 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.180 0.577 3.102 1.00 0.42 H new