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: A2126 HIS : no HD1:sc= -0.388 K(o=-1.3,f=-3.2) USER MOD Set 1.2: A2130 GLN : amide:sc= -0.939 X(o=-1.3,f=-1.1) USER MOD Set 2.1: A2077 HIS : no HE2:sc= -3.06 K(o=-3.1,f=-6.7) USER MOD Set 2.2: A2079 THR OG1 : rot -170:sc= -0.0412 USER MOD Single : A2057 GLN : amide:sc= -0.0363 K(o=-0.036,f=-0.82) USER MOD Single : A2058 GLN :FLIP amide:sc= -0.0741 F(o=-0.86,f=-0.074) USER MOD Single : A2059 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2060 GLN : amide:sc= -1.65! C(o=-1.7!,f=-6.2!) USER MOD Single : A2061 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.6!) USER MOD Single : A2062 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A2065 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A2071 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A2073 THR OG1 : rot 78:sc= 1.02 USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2082 SER OG : rot -47:sc= 0.516 USER MOD Single : A2084 SER OG : rot 180:sc= 0 USER MOD Single : A2087 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : A2090 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2096 SER OG : rot 180:sc= 0.00997 USER MOD Single : A2098 THR OG1 : rot 180:sc= 0.607 USER MOD Single : A2104 ASN : amide:sc= -0.639 K(o=-0.64,f=-4.2!) USER MOD Single : A2105 THR OG1 : rot 72:sc= 0.332 USER MOD Single : A2107 THR OG1 : rot -55:sc= -0.25 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.0568 X(o=0.057,f=-0.036) USER MOD Single : A2110 THR OG1 : rot -80:sc= 0.175 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.59 USER MOD Single : A2122 HIS : no HD1:sc= -0.308 K(o=-0.31,f=-1.1) USER MOD Single : A2124 THR OG1 : rot 180:sc= 0.182 USER MOD Single : A2129 THR OG1 : rot 33:sc= 0.693 USER MOD Single : A2131 HIS : no HE2:sc= -0.865 X(o=-0.87,f=-0.39) USER MOD Single : A2133 HIS : no HD1:sc= -1.19 X(o=-1.2,f=-1.6) USER MOD Single : A2134 THR OG1 : rot 78:sc= 1.25 USER MOD Single : A2137 THR OG1 : rot -79:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -14.233 -6.996 3.860 1.00 0.67 N ATOM 151 CA PRO A2056 -13.233 -6.064 4.364 1.00 0.61 C ATOM 152 C PRO A2056 -11.811 -6.620 4.365 1.00 0.54 C ATOM 153 O PRO A2056 -10.920 -6.032 3.752 1.00 0.50 O ATOM 154 CB PRO A2056 -13.684 -5.782 5.795 1.00 0.71 C ATOM 155 CG PRO A2056 -15.028 -6.413 5.953 1.00 0.86 C ATOM 156 CD PRO A2056 -15.489 -6.846 4.593 1.00 0.81 C ATOM 0 HA PRO A2056 -13.179 -5.182 3.726 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -12.975 -6.195 6.513 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.736 -4.709 5.980 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -14.973 -7.267 6.628 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -15.734 -5.706 6.389 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -16.048 -7.781 4.634 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.141 -6.104 4.131 1.00 0.81 H new ATOM 164 N GLN A2057 -11.608 -7.753 5.028 1.00 0.58 N ATOM 165 CA GLN A2057 -10.289 -8.355 5.131 1.00 0.60 C ATOM 166 C GLN A2057 -9.764 -8.755 3.756 1.00 0.57 C ATOM 167 O GLN A2057 -8.574 -8.628 3.481 1.00 0.57 O ATOM 168 CB GLN A2057 -10.342 -9.568 6.054 1.00 0.71 C ATOM 169 CG GLN A2057 -8.991 -10.208 6.274 1.00 0.83 C ATOM 170 CD GLN A2057 -8.049 -9.339 7.081 1.00 1.19 C ATOM 171 OE1 GLN A2057 -7.305 -8.529 6.531 1.00 1.63 O ATOM 172 NE2 GLN A2057 -8.064 -9.509 8.392 1.00 1.95 N ATOM 0 H GLN A2057 -12.345 -8.273 5.503 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.604 -7.618 5.551 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -10.755 -9.266 7.017 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.023 -10.308 5.633 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -9.126 -11.161 6.786 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.537 -10.426 5.308 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -8.696 -10.191 8.811 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -7.444 -8.958 8.985 1.00 1.95 H new ATOM 181 N GLN A2058 -10.659 -9.214 2.891 1.00 0.59 N ATOM 182 CA GLN A2058 -10.286 -9.554 1.524 1.00 0.64 C ATOM 183 C GLN A2058 -9.766 -8.314 0.812 1.00 0.57 C ATOM 184 O GLN A2058 -8.736 -8.358 0.140 1.00 0.59 O ATOM 185 CB GLN A2058 -11.478 -10.127 0.752 1.00 0.75 C ATOM 186 CG GLN A2058 -12.095 -11.359 1.390 1.00 0.83 C ATOM 187 CD GLN A2058 -11.110 -12.500 1.585 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.133 -12.619 0.699 1.00 1.44 O flip ATOM 189 NE2 GLN A2058 -11.237 -13.282 2.525 1.00 1.60 N flip ATOM 0 H GLN A2058 -11.645 -9.359 3.110 1.00 0.59 H new ATOM 0 HA GLN A2058 -9.505 -10.314 1.562 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.243 -9.356 0.662 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.156 -10.377 -0.259 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -12.517 -11.085 2.357 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -12.921 -11.705 0.768 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -12.001 -13.161 3.189 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -10.578 -14.052 2.641 1.00 1.60 H new ATOM 198 N GLN A2059 -10.482 -7.203 0.978 1.00 0.54 N ATOM 199 CA GLN A2059 -10.056 -5.926 0.420 1.00 0.52 C ATOM 200 C GLN A2059 -8.713 -5.519 1.004 1.00 0.47 C ATOM 201 O GLN A2059 -7.849 -5.007 0.294 1.00 0.49 O ATOM 202 CB GLN A2059 -11.088 -4.832 0.693 1.00 0.57 C ATOM 203 CG GLN A2059 -12.358 -4.969 -0.126 1.00 0.72 C ATOM 204 CD GLN A2059 -13.300 -3.798 0.068 1.00 1.02 C ATOM 205 OE1 GLN A2059 -14.177 -3.829 0.931 1.00 1.50 O ATOM 206 NE2 GLN A2059 -13.108 -2.745 -0.715 1.00 1.19 N ATOM 0 H GLN A2059 -11.360 -7.164 1.495 1.00 0.54 H new ATOM 0 HA GLN A2059 -9.960 -6.048 -0.659 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.347 -4.846 1.752 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.637 -3.861 0.487 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.099 -5.052 -1.182 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -12.868 -5.892 0.151 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -12.369 -2.760 -1.418 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -13.699 -1.920 -0.614 1.00 1.19 H new ATOM 215 N GLN A2060 -8.542 -5.753 2.301 1.00 0.44 N ATOM 216 CA GLN A2060 -7.283 -5.453 2.961 1.00 0.42 C ATOM 217 C GLN A2060 -6.170 -6.268 2.354 1.00 0.39 C ATOM 218 O GLN A2060 -5.190 -5.714 1.917 1.00 0.37 O ATOM 219 CB GLN A2060 -7.357 -5.724 4.464 1.00 0.45 C ATOM 220 CG GLN A2060 -8.482 -4.984 5.149 1.00 0.50 C ATOM 221 CD GLN A2060 -8.573 -5.257 6.637 1.00 0.60 C ATOM 222 OE1 GLN A2060 -9.278 -6.163 7.072 1.00 0.78 O ATOM 223 NE2 GLN A2060 -7.868 -4.468 7.432 1.00 0.95 N ATOM 0 H GLN A2060 -9.258 -6.148 2.911 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.080 -4.392 2.816 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.483 -6.794 4.628 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.411 -5.440 4.925 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.349 -3.913 4.992 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.426 -5.260 4.679 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -7.293 -3.725 7.034 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -7.899 -4.603 8.443 1.00 0.95 H new ATOM 232 N GLN A2061 -6.335 -7.578 2.321 1.00 0.41 N ATOM 233 CA GLN A2061 -5.356 -8.459 1.691 1.00 0.42 C ATOM 234 C GLN A2061 -5.075 -8.042 0.253 1.00 0.43 C ATOM 235 O GLN A2061 -3.950 -8.146 -0.227 1.00 0.41 O ATOM 236 CB GLN A2061 -5.862 -9.879 1.711 1.00 0.51 C ATOM 237 CG GLN A2061 -6.013 -10.426 3.110 1.00 0.56 C ATOM 238 CD GLN A2061 -6.777 -11.736 3.155 1.00 0.67 C ATOM 239 OE1 GLN A2061 -7.452 -12.039 4.136 1.00 1.03 O ATOM 240 NE2 GLN A2061 -6.673 -12.527 2.098 1.00 1.32 N ATOM 0 H GLN A2061 -7.139 -8.061 2.723 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.427 -8.386 2.256 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -6.825 -9.924 1.202 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.175 -10.513 1.150 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -5.025 -10.573 3.545 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.527 -9.690 3.728 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -6.103 -12.242 1.302 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -7.163 -13.422 2.080 1.00 1.32 H new ATOM 249 N THR A2062 -6.112 -7.590 -0.426 1.00 0.49 N ATOM 250 CA THR A2062 -5.981 -7.046 -1.769 1.00 0.55 C ATOM 251 C THR A2062 -5.003 -5.872 -1.798 1.00 0.49 C ATOM 252 O THR A2062 -4.049 -5.860 -2.578 1.00 0.48 O ATOM 253 CB THR A2062 -7.338 -6.573 -2.304 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.260 -7.674 -2.344 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.182 -5.987 -3.697 1.00 0.77 C ATOM 0 H THR A2062 -7.066 -7.588 -0.066 1.00 0.49 H new ATOM 0 HA THR A2062 -5.599 -7.847 -2.402 1.00 0.55 H new ATOM 0 HB THR A2062 -7.725 -5.802 -1.637 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.764 -7.709 -1.504 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.154 -5.656 -4.063 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.499 -5.138 -3.660 1.00 0.77 H new ATOM 0 HG23 THR A2062 -6.781 -6.746 -4.368 1.00 0.77 H new ATOM 263 N LEU A2063 -5.229 -4.896 -0.928 1.00 0.50 N ATOM 264 CA LEU A2063 -4.406 -3.707 -0.889 1.00 0.53 C ATOM 265 C LEU A2063 -3.105 -4.012 -0.165 1.00 0.44 C ATOM 266 O LEU A2063 -2.102 -3.319 -0.311 1.00 0.47 O ATOM 267 CB LEU A2063 -5.185 -2.575 -0.216 1.00 0.69 C ATOM 268 CG LEU A2063 -5.673 -2.838 1.206 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.628 -2.428 2.217 1.00 1.32 C ATOM 270 CD2 LEU A2063 -6.983 -2.112 1.464 1.00 1.22 C ATOM 0 H LEU A2063 -5.981 -4.911 -0.239 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.154 -3.386 -1.900 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.553 -1.687 -0.201 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.050 -2.340 -0.836 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.847 -3.909 1.314 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -4.998 -2.625 3.223 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.715 -2.999 2.048 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.416 -1.364 2.110 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.315 -2.312 2.483 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -6.837 -1.040 1.334 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.738 -2.463 0.761 1.00 1.22 H new ATOM 282 N ALA A2064 -3.151 -5.085 0.595 1.00 0.39 N ATOM 283 CA ALA A2064 -2.005 -5.613 1.302 1.00 0.38 C ATOM 284 C ALA A2064 -1.020 -6.152 0.280 1.00 0.37 C ATOM 285 O ALA A2064 0.171 -5.842 0.297 1.00 0.51 O ATOM 286 CB ALA A2064 -2.462 -6.719 2.247 1.00 0.38 C ATOM 0 H ALA A2064 -4.004 -5.625 0.741 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.522 -4.834 1.892 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.601 -7.120 2.782 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.177 -6.314 2.963 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -2.935 -7.516 1.673 1.00 0.38 H new ATOM 292 N THR A2065 -1.568 -6.943 -0.631 1.00 0.28 N ATOM 293 CA THR A2065 -0.835 -7.484 -1.758 1.00 0.28 C ATOM 294 C THR A2065 -0.365 -6.361 -2.679 1.00 0.27 C ATOM 295 O THR A2065 0.725 -6.424 -3.242 1.00 0.25 O ATOM 296 CB THR A2065 -1.734 -8.459 -2.538 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.143 -9.529 -1.676 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.026 -9.027 -3.761 1.00 0.41 C ATOM 0 H THR A2065 -2.547 -7.229 -0.605 1.00 0.28 H new ATOM 0 HA THR A2065 0.041 -8.016 -1.386 1.00 0.28 H new ATOM 0 HB THR A2065 -2.606 -7.905 -2.886 1.00 0.36 H new ATOM 0 HG1 THR A2065 -2.847 -9.212 -1.073 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.695 -9.711 -4.284 1.00 0.41 H new ATOM 0 HG22 THR A2065 -0.744 -8.213 -4.429 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.131 -9.564 -3.447 1.00 0.41 H new ATOM 306 N LEU A2066 -1.197 -5.329 -2.808 1.00 0.29 N ATOM 307 CA LEU A2066 -0.861 -4.146 -3.581 1.00 0.28 C ATOM 308 C LEU A2066 0.423 -3.547 -3.031 1.00 0.23 C ATOM 309 O LEU A2066 1.427 -3.433 -3.733 1.00 0.22 O ATOM 310 CB LEU A2066 -1.998 -3.131 -3.446 1.00 0.32 C ATOM 311 CG LEU A2066 -2.078 -2.004 -4.482 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.613 -0.750 -3.815 1.00 0.92 C ATOM 313 CD2 LEU A2066 -0.744 -1.716 -5.157 1.00 1.35 C ATOM 0 H LEU A2066 -2.121 -5.294 -2.378 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.723 -4.406 -4.631 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -2.940 -3.678 -3.473 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -1.923 -2.674 -2.459 1.00 0.32 H new ATOM 0 HG LEU A2066 -2.754 -2.333 -5.271 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.672 0.055 -4.548 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.606 -0.948 -3.412 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -1.945 -0.455 -3.005 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -0.868 -0.909 -5.879 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.012 -1.421 -4.405 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.395 -2.612 -5.671 1.00 1.35 H new ATOM 325 N VAL A2067 0.366 -3.184 -1.760 1.00 0.21 N ATOM 326 CA VAL A2067 1.492 -2.590 -1.069 1.00 0.18 C ATOM 327 C VAL A2067 2.730 -3.472 -1.187 1.00 0.16 C ATOM 328 O VAL A2067 3.835 -2.999 -1.467 1.00 0.17 O ATOM 329 CB VAL A2067 1.156 -2.377 0.420 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.392 -1.989 1.210 1.00 0.20 C ATOM 331 CG2 VAL A2067 0.072 -1.322 0.581 1.00 0.22 C ATOM 0 H VAL A2067 -0.466 -3.294 -1.180 1.00 0.21 H new ATOM 0 HA VAL A2067 1.700 -1.627 -1.535 1.00 0.18 H new ATOM 0 HB VAL A2067 0.783 -3.322 0.816 1.00 0.19 H new ATOM 0 HG11 VAL A2067 2.124 -1.845 2.257 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.137 -2.780 1.131 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.803 -1.062 0.810 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.150 -1.187 1.640 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.418 -0.378 0.160 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -0.829 -1.644 0.059 1.00 0.22 H new ATOM 341 N ALA A2068 2.522 -4.758 -0.981 1.00 0.15 N ATOM 342 CA ALA A2068 3.587 -5.736 -1.032 1.00 0.15 C ATOM 343 C ALA A2068 4.208 -5.823 -2.425 1.00 0.14 C ATOM 344 O ALA A2068 5.423 -5.722 -2.571 1.00 0.13 O ATOM 345 CB ALA A2068 3.045 -7.080 -0.580 1.00 0.17 C ATOM 0 H ALA A2068 1.605 -5.154 -0.773 1.00 0.15 H new ATOM 0 HA ALA A2068 4.386 -5.426 -0.358 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.841 -7.824 -0.615 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.671 -6.997 0.440 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.233 -7.386 -1.240 1.00 0.17 H new ATOM 351 N ALA A2069 3.372 -5.994 -3.445 1.00 0.17 N ATOM 352 CA ALA A2069 3.833 -6.052 -4.827 1.00 0.18 C ATOM 353 C ALA A2069 4.505 -4.747 -5.227 1.00 0.19 C ATOM 354 O ALA A2069 5.416 -4.730 -6.060 1.00 0.21 O ATOM 355 CB ALA A2069 2.672 -6.349 -5.763 1.00 0.23 C ATOM 0 H ALA A2069 2.363 -6.096 -3.338 1.00 0.17 H new ATOM 0 HA ALA A2069 4.564 -6.857 -4.907 1.00 0.18 H new ATOM 0 HB1 ALA A2069 3.034 -6.389 -6.790 1.00 0.23 H new ATOM 0 HB2 ALA A2069 2.227 -7.308 -5.498 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.922 -5.563 -5.673 1.00 0.23 H new ATOM 361 N ALA A2070 4.060 -3.658 -4.613 1.00 0.19 N ATOM 362 CA ALA A2070 4.602 -2.345 -4.893 1.00 0.21 C ATOM 363 C ALA A2070 6.057 -2.272 -4.467 1.00 0.20 C ATOM 364 O ALA A2070 6.908 -1.800 -5.218 1.00 0.23 O ATOM 365 CB ALA A2070 3.789 -1.276 -4.187 1.00 0.24 C ATOM 0 H ALA A2070 3.318 -3.665 -3.913 1.00 0.19 H new ATOM 0 HA ALA A2070 4.547 -2.169 -5.967 1.00 0.21 H new ATOM 0 HB1 ALA A2070 4.209 -0.295 -4.407 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.757 -1.315 -4.535 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.816 -1.449 -3.111 1.00 0.24 H new ATOM 371 N THR A2071 6.352 -2.765 -3.270 1.00 0.18 N ATOM 372 CA THR A2071 7.704 -2.665 -2.756 1.00 0.21 C ATOM 373 C THR A2071 8.531 -3.854 -3.211 1.00 0.21 C ATOM 374 O THR A2071 9.741 -3.762 -3.341 1.00 0.27 O ATOM 375 CB THR A2071 7.737 -2.483 -1.230 1.00 0.22 C ATOM 376 OG1 THR A2071 9.062 -2.197 -0.785 1.00 0.28 O ATOM 377 CG2 THR A2071 7.220 -3.700 -0.508 1.00 0.23 C ATOM 0 H THR A2071 5.686 -3.228 -2.651 1.00 0.18 H new ATOM 0 HA THR A2071 8.154 -1.764 -3.172 1.00 0.21 H new ATOM 0 HB THR A2071 7.084 -1.642 -0.997 1.00 0.22 H new ATOM 0 HG1 THR A2071 9.063 -2.083 0.188 1.00 0.28 H new ATOM 0 HG21 THR A2071 7.261 -3.529 0.568 1.00 0.23 H new ATOM 0 HG22 THR A2071 6.189 -3.890 -0.807 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.836 -4.563 -0.762 1.00 0.23 H new ATOM 385 N ALA A2072 7.867 -4.954 -3.502 1.00 0.18 N ATOM 386 CA ALA A2072 8.497 -6.052 -4.214 1.00 0.22 C ATOM 387 C ALA A2072 9.170 -5.507 -5.464 1.00 0.26 C ATOM 388 O ALA A2072 10.326 -5.812 -5.747 1.00 0.31 O ATOM 389 CB ALA A2072 7.438 -7.073 -4.582 1.00 0.22 C ATOM 0 H ALA A2072 6.890 -5.113 -3.257 1.00 0.18 H new ATOM 0 HA ALA A2072 9.249 -6.533 -3.588 1.00 0.22 H new ATOM 0 HB1 ALA A2072 7.902 -7.902 -5.117 1.00 0.22 H new ATOM 0 HB2 ALA A2072 6.963 -7.447 -3.675 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.687 -6.605 -5.218 1.00 0.22 H new ATOM 395 N THR A2073 8.441 -4.665 -6.175 1.00 0.27 N ATOM 396 CA THR A2073 8.953 -3.996 -7.351 1.00 0.34 C ATOM 397 C THR A2073 9.972 -2.916 -6.974 1.00 0.37 C ATOM 398 O THR A2073 11.066 -2.854 -7.533 1.00 0.43 O ATOM 399 CB THR A2073 7.793 -3.355 -8.131 1.00 0.38 C ATOM 400 OG1 THR A2073 6.822 -4.357 -8.463 1.00 0.40 O ATOM 401 CG2 THR A2073 8.295 -2.684 -9.394 1.00 0.46 C ATOM 0 H THR A2073 7.475 -4.427 -5.950 1.00 0.27 H new ATOM 0 HA THR A2073 9.452 -4.739 -7.973 1.00 0.34 H new ATOM 0 HB THR A2073 7.331 -2.595 -7.501 1.00 0.38 H new ATOM 0 HG1 THR A2073 6.276 -4.558 -7.674 1.00 0.40 H new ATOM 0 HG21 THR A2073 7.455 -2.238 -9.928 1.00 0.46 H new ATOM 0 HG22 THR A2073 9.013 -1.906 -9.132 1.00 0.46 H new ATOM 0 HG23 THR A2073 8.779 -3.424 -10.032 1.00 0.46 H new ATOM 409 N VAL A2074 9.598 -2.081 -6.009 1.00 0.36 N ATOM 410 CA VAL A2074 10.396 -0.955 -5.579 1.00 0.41 C ATOM 411 C VAL A2074 11.781 -1.365 -5.045 1.00 0.47 C ATOM 412 O VAL A2074 12.778 -0.713 -5.356 1.00 0.56 O ATOM 413 CB VAL A2074 9.584 -0.173 -4.530 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.305 -0.018 -3.204 1.00 0.38 C ATOM 415 CG2 VAL A2074 9.152 1.163 -5.082 1.00 0.37 C ATOM 0 H VAL A2074 8.718 -2.175 -5.501 1.00 0.36 H new ATOM 0 HA VAL A2074 10.608 -0.321 -6.440 1.00 0.41 H new ATOM 0 HB VAL A2074 8.696 -0.768 -4.315 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.677 0.542 -2.512 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.516 -1.003 -2.787 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.241 0.518 -3.359 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.580 1.701 -4.326 1.00 0.37 H new ATOM 0 HG22 VAL A2074 10.032 1.746 -5.354 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.532 1.009 -5.965 1.00 0.37 H new ATOM 425 N LEU A2075 11.850 -2.431 -4.245 1.00 0.43 N ATOM 426 CA LEU A2075 13.124 -2.892 -3.711 1.00 0.52 C ATOM 427 C LEU A2075 13.887 -3.653 -4.784 1.00 0.60 C ATOM 428 O LEU A2075 15.118 -3.705 -4.779 1.00 0.74 O ATOM 429 CB LEU A2075 12.908 -3.798 -2.498 1.00 0.49 C ATOM 430 CG LEU A2075 11.792 -3.360 -1.547 1.00 0.44 C ATOM 431 CD1 LEU A2075 11.470 -4.457 -0.549 1.00 0.46 C ATOM 432 CD2 LEU A2075 12.149 -2.072 -0.823 1.00 0.52 C ATOM 0 H LEU A2075 11.043 -2.985 -3.957 1.00 0.43 H new ATOM 0 HA LEU A2075 13.701 -2.022 -3.398 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.687 -4.805 -2.852 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.840 -3.855 -1.936 1.00 0.49 H new ATOM 0 HG LEU A2075 10.905 -3.169 -2.151 1.00 0.44 H new ATOM 0 HD11 LEU A2075 10.674 -4.122 0.116 1.00 0.46 H new ATOM 0 HD12 LEU A2075 11.145 -5.350 -1.082 1.00 0.46 H new ATOM 0 HD13 LEU A2075 12.359 -4.688 0.037 1.00 0.46 H new ATOM 0 HD21 LEU A2075 11.334 -1.791 -0.156 1.00 0.52 H new ATOM 0 HD22 LEU A2075 13.058 -2.222 -0.241 1.00 0.52 H new ATOM 0 HD23 LEU A2075 12.312 -1.278 -1.552 1.00 0.52 H new ATOM 444 N GLY A2076 13.136 -4.234 -5.711 1.00 0.57 N ATOM 445 CA GLY A2076 13.733 -4.944 -6.819 1.00 0.67 C ATOM 446 C GLY A2076 13.791 -6.441 -6.598 1.00 0.65 C ATOM 447 O GLY A2076 14.809 -7.070 -6.887 1.00 0.93 O ATOM 0 H GLY A2076 12.116 -4.224 -5.712 1.00 0.57 H new ATOM 0 HA2 GLY A2076 13.164 -4.738 -7.725 1.00 0.67 H new ATOM 0 HA3 GLY A2076 14.742 -4.567 -6.984 1.00 0.67 H new ATOM 451 N HIS A2077 12.704 -7.026 -6.099 1.00 0.51 N ATOM 452 CA HIS A2077 12.686 -8.463 -5.840 1.00 0.66 C ATOM 453 C HIS A2077 11.380 -9.119 -6.300 1.00 0.68 C ATOM 454 O HIS A2077 11.210 -10.329 -6.166 1.00 0.97 O ATOM 455 CB HIS A2077 12.988 -8.755 -4.362 1.00 0.81 C ATOM 456 CG HIS A2077 11.882 -8.531 -3.387 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.985 -9.508 -3.031 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.599 -7.464 -2.616 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.204 -9.049 -2.078 1.00 0.61 C ATOM 460 NE2 HIS A2077 10.555 -7.808 -1.804 1.00 0.80 N ATOM 0 H HIS A2077 11.839 -6.537 -5.869 1.00 0.51 H new ATOM 0 HA HIS A2077 13.479 -8.914 -6.437 1.00 0.66 H new ATOM 0 HB2 HIS A2077 13.306 -9.794 -4.280 1.00 0.81 H new ATOM 0 HB3 HIS A2077 13.835 -8.138 -4.061 1.00 0.81 H new ATOM 0 HD1 HIS A2077 10.933 -10.441 -3.440 1.00 0.54 H new ATOM 0 HD2 HIS A2077 12.105 -6.510 -2.636 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.407 -9.598 -1.599 1.00 0.61 H new ATOM 469 N HIS A2078 10.467 -8.299 -6.825 1.00 0.62 N ATOM 470 CA HIS A2078 9.259 -8.756 -7.543 1.00 0.69 C ATOM 471 C HIS A2078 8.215 -9.481 -6.683 1.00 0.80 C ATOM 472 O HIS A2078 7.018 -9.288 -6.896 1.00 1.56 O ATOM 473 CB HIS A2078 9.633 -9.624 -8.749 1.00 0.81 C ATOM 474 CG HIS A2078 10.206 -8.831 -9.881 1.00 0.88 C ATOM 475 ND1 HIS A2078 9.442 -8.004 -10.677 1.00 0.93 N ATOM 476 CD2 HIS A2078 11.477 -8.708 -10.327 1.00 0.96 C ATOM 477 CE1 HIS A2078 10.217 -7.405 -11.557 1.00 1.03 C ATOM 478 NE2 HIS A2078 11.456 -7.815 -11.369 1.00 1.05 N ATOM 0 H HIS A2078 10.540 -7.283 -6.766 1.00 0.62 H new ATOM 0 HA HIS A2078 8.777 -7.835 -7.870 1.00 0.69 H new ATOM 0 HB2 HIS A2078 10.356 -10.378 -8.438 1.00 0.81 H new ATOM 0 HB3 HIS A2078 8.747 -10.156 -9.096 1.00 0.81 H new ATOM 0 HD2 HIS A2078 12.346 -9.217 -9.936 1.00 0.96 H new ATOM 0 HE1 HIS A2078 9.893 -6.698 -12.306 1.00 1.03 H new ATOM 0 HE2 HIS A2078 12.267 -7.517 -11.910 1.00 1.05 H new ATOM 487 N THR A2079 8.628 -10.306 -5.735 1.00 0.64 N ATOM 488 CA THR A2079 7.666 -11.087 -4.971 1.00 0.67 C ATOM 489 C THR A2079 6.974 -10.289 -3.866 1.00 0.44 C ATOM 490 O THR A2079 7.620 -9.748 -2.978 1.00 0.54 O ATOM 491 CB THR A2079 8.280 -12.307 -4.313 1.00 1.02 C ATOM 492 OG1 THR A2079 9.530 -11.970 -3.689 1.00 1.82 O ATOM 493 CG2 THR A2079 8.473 -13.433 -5.299 1.00 0.59 C ATOM 0 H THR A2079 9.604 -10.452 -5.478 1.00 0.64 H new ATOM 0 HA THR A2079 6.937 -11.389 -5.723 1.00 0.67 H new ATOM 0 HB THR A2079 7.585 -12.651 -3.547 1.00 1.02 H new ATOM 0 HG1 THR A2079 9.987 -12.790 -3.408 1.00 1.82 H new ATOM 0 HG21 THR A2079 8.915 -14.290 -4.791 1.00 0.59 H new ATOM 0 HG22 THR A2079 7.508 -13.718 -5.719 1.00 0.59 H new ATOM 0 HG23 THR A2079 9.135 -13.105 -6.100 1.00 0.59 H new ATOM 501 N PRO A2080 5.644 -10.237 -3.897 1.00 0.29 N ATOM 502 CA PRO A2080 4.828 -9.608 -2.863 1.00 0.32 C ATOM 503 C PRO A2080 4.588 -10.565 -1.703 1.00 0.45 C ATOM 504 O PRO A2080 4.258 -10.157 -0.591 1.00 0.51 O ATOM 505 CB PRO A2080 3.510 -9.304 -3.598 1.00 0.39 C ATOM 506 CG PRO A2080 3.782 -9.646 -5.026 1.00 0.39 C ATOM 507 CD PRO A2080 4.803 -10.740 -4.962 1.00 0.32 C ATOM 0 HA PRO A2080 5.294 -8.724 -2.428 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.688 -9.898 -3.199 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.229 -8.257 -3.489 1.00 0.39 H new ATOM 0 HG2 PRO A2080 2.876 -9.978 -5.534 1.00 0.39 H new ATOM 0 HG3 PRO A2080 4.158 -8.783 -5.576 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.362 -11.708 -4.723 1.00 0.32 H new ATOM 0 HD3 PRO A2080 5.345 -10.859 -5.900 1.00 0.32 H new ATOM 515 N GLU A2081 4.770 -11.847 -1.976 1.00 0.53 N ATOM 516 CA GLU A2081 4.631 -12.876 -0.962 1.00 0.64 C ATOM 517 C GLU A2081 5.839 -12.874 -0.036 1.00 0.56 C ATOM 518 O GLU A2081 5.760 -13.327 1.105 1.00 0.70 O ATOM 519 CB GLU A2081 4.473 -14.245 -1.622 1.00 0.84 C ATOM 520 CG GLU A2081 5.585 -14.575 -2.600 1.00 0.93 C ATOM 521 CD GLU A2081 5.415 -15.935 -3.232 1.00 1.28 C ATOM 522 OE1 GLU A2081 4.736 -16.034 -4.274 1.00 1.54 O ATOM 523 OE2 GLU A2081 5.962 -16.912 -2.690 1.00 1.45 O ATOM 0 H GLU A2081 5.017 -12.200 -2.901 1.00 0.53 H new ATOM 0 HA GLU A2081 3.740 -12.666 -0.370 1.00 0.64 H new ATOM 0 HB2 GLU A2081 4.441 -15.012 -0.848 1.00 0.84 H new ATOM 0 HB3 GLU A2081 3.517 -14.280 -2.145 1.00 0.84 H new ATOM 0 HG2 GLU A2081 5.614 -13.816 -3.382 1.00 0.93 H new ATOM 0 HG3 GLU A2081 6.543 -14.536 -2.082 1.00 0.93 H new ATOM 530 N SER A2082 6.953 -12.334 -0.523 1.00 0.43 N ATOM 531 CA SER A2082 8.180 -12.293 0.260 1.00 0.43 C ATOM 532 C SER A2082 8.289 -10.959 0.991 1.00 0.33 C ATOM 533 O SER A2082 9.368 -10.535 1.397 1.00 0.38 O ATOM 534 CB SER A2082 9.388 -12.513 -0.648 1.00 0.54 C ATOM 535 OG SER A2082 10.586 -12.660 0.096 1.00 0.63 O ATOM 0 H SER A2082 7.029 -11.921 -1.452 1.00 0.43 H new ATOM 0 HA SER A2082 8.157 -13.091 1.002 1.00 0.43 H new ATOM 0 HB2 SER A2082 9.227 -13.402 -1.258 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.486 -11.671 -1.333 1.00 0.54 H new ATOM 0 HG SER A2082 10.642 -11.950 0.770 1.00 0.63 H new ATOM 541 N ILE A2083 7.153 -10.304 1.143 1.00 0.25 N ATOM 542 CA ILE A2083 7.085 -9.021 1.819 1.00 0.17 C ATOM 543 C ILE A2083 6.616 -9.218 3.251 1.00 0.15 C ATOM 544 O ILE A2083 5.527 -9.740 3.485 1.00 0.22 O ATOM 545 CB ILE A2083 6.119 -8.071 1.084 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.493 -8.000 -0.395 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.136 -6.679 1.706 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.742 -7.207 -0.670 1.00 0.22 C ATOM 0 H ILE A2083 6.254 -10.645 0.803 1.00 0.25 H new ATOM 0 HA ILE A2083 8.080 -8.576 1.819 1.00 0.17 H new ATOM 0 HB ILE A2083 5.107 -8.464 1.180 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.626 -9.013 -0.775 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.664 -7.558 -0.949 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.445 -6.031 1.167 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.832 -6.744 2.751 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.143 -6.266 1.646 1.00 0.12 H new ATOM 0 HD11 ILE A2083 7.942 -7.203 -1.742 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.607 -6.183 -0.322 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.583 -7.660 -0.146 1.00 0.22 H new ATOM 560 N SER A2084 7.450 -8.826 4.200 1.00 0.14 N ATOM 561 CA SER A2084 7.128 -8.976 5.610 1.00 0.14 C ATOM 562 C SER A2084 6.308 -7.783 6.099 1.00 0.12 C ATOM 563 O SER A2084 6.833 -6.678 6.219 1.00 0.12 O ATOM 564 CB SER A2084 8.421 -9.084 6.418 1.00 0.19 C ATOM 565 OG SER A2084 9.322 -10.002 5.820 1.00 0.28 O ATOM 0 H SER A2084 8.359 -8.400 4.019 1.00 0.14 H new ATOM 0 HA SER A2084 6.537 -9.882 5.745 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.891 -8.103 6.491 1.00 0.19 H new ATOM 0 HB3 SER A2084 8.192 -9.404 7.435 1.00 0.19 H new ATOM 0 HG SER A2084 10.142 -10.052 6.355 1.00 0.28 H new ATOM 571 N PRO A2085 5.007 -7.984 6.384 1.00 0.12 N ATOM 572 CA PRO A2085 4.122 -6.904 6.829 1.00 0.12 C ATOM 573 C PRO A2085 4.510 -6.357 8.187 1.00 0.12 C ATOM 574 O PRO A2085 4.243 -5.194 8.501 1.00 0.13 O ATOM 575 CB PRO A2085 2.743 -7.555 6.910 1.00 0.15 C ATOM 576 CG PRO A2085 2.998 -9.022 6.993 1.00 0.15 C ATOM 577 CD PRO A2085 4.300 -9.273 6.286 1.00 0.14 C ATOM 0 HA PRO A2085 4.167 -6.056 6.146 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.193 -7.202 7.783 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.142 -7.310 6.034 1.00 0.15 H new ATOM 0 HG2 PRO A2085 3.052 -9.347 8.032 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.189 -9.583 6.525 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.864 -10.076 6.760 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.142 -9.565 5.248 1.00 0.14 H new ATOM 585 N ALA A2086 5.128 -7.202 8.988 1.00 0.11 N ATOM 586 CA ALA A2086 5.532 -6.807 10.321 1.00 0.12 C ATOM 587 C ALA A2086 6.818 -5.995 10.283 1.00 0.11 C ATOM 588 O ALA A2086 7.048 -5.136 11.134 1.00 0.14 O ATOM 589 CB ALA A2086 5.703 -8.028 11.202 1.00 0.14 C ATOM 0 H ALA A2086 5.360 -8.164 8.739 1.00 0.11 H new ATOM 0 HA ALA A2086 4.748 -6.178 10.742 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.007 -7.716 12.201 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.758 -8.568 11.262 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.467 -8.679 10.777 1.00 0.14 H new ATOM 595 N THR A2087 7.653 -6.274 9.294 1.00 0.10 N ATOM 596 CA THR A2087 8.873 -5.525 9.104 1.00 0.11 C ATOM 597 C THR A2087 8.553 -4.169 8.523 1.00 0.10 C ATOM 598 O THR A2087 7.622 -4.013 7.734 1.00 0.10 O ATOM 599 CB THR A2087 9.836 -6.240 8.152 1.00 0.14 C ATOM 600 OG1 THR A2087 10.078 -7.573 8.614 1.00 0.16 O ATOM 601 CG2 THR A2087 11.157 -5.486 8.013 1.00 0.16 C ATOM 0 H THR A2087 7.502 -7.017 8.612 1.00 0.10 H new ATOM 0 HA THR A2087 9.350 -5.428 10.079 1.00 0.11 H new ATOM 0 HB THR A2087 9.369 -6.274 7.168 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.693 -8.025 8.000 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.813 -6.025 7.330 1.00 0.16 H new ATOM 0 HG22 THR A2087 10.966 -4.487 7.621 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.636 -5.407 8.989 1.00 0.16 H new ATOM 609 N ALA A2088 9.339 -3.208 8.906 1.00 0.12 N ATOM 610 CA ALA A2088 9.165 -1.854 8.443 1.00 0.12 C ATOM 611 C ALA A2088 9.835 -1.691 7.101 1.00 0.11 C ATOM 612 O ALA A2088 10.875 -2.294 6.838 1.00 0.12 O ATOM 613 CB ALA A2088 9.717 -0.864 9.449 1.00 0.15 C ATOM 0 H ALA A2088 10.121 -3.335 9.549 1.00 0.12 H new ATOM 0 HA ALA A2088 8.100 -1.650 8.333 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.574 0.151 9.077 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.194 -0.980 10.398 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.781 -1.050 9.596 1.00 0.15 H new ATOM 619 N PHE A2089 9.213 -0.893 6.254 1.00 0.10 N ATOM 620 CA PHE A2089 9.730 -0.625 4.915 1.00 0.09 C ATOM 621 C PHE A2089 11.197 -0.232 4.942 1.00 0.09 C ATOM 622 O PHE A2089 11.955 -0.593 4.043 1.00 0.12 O ATOM 623 CB PHE A2089 8.917 0.473 4.254 1.00 0.09 C ATOM 624 CG PHE A2089 7.607 -0.001 3.711 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.565 -0.872 2.635 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.418 0.425 4.271 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.359 -1.310 2.133 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.212 -0.009 3.769 1.00 0.12 C ATOM 629 CZ PHE A2089 5.182 -0.878 2.701 1.00 0.10 C ATOM 0 H PHE A2089 8.339 -0.412 6.468 1.00 0.10 H new ATOM 0 HA PHE A2089 9.642 -1.546 4.339 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.735 1.266 4.979 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.501 0.909 3.444 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.486 -1.211 2.185 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.435 1.105 5.110 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.337 -1.991 1.295 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.289 0.332 4.213 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.236 -1.220 2.309 1.00 0.10 H new ATOM 639 N LYS A2090 11.580 0.525 5.960 1.00 0.12 N ATOM 640 CA LYS A2090 12.968 0.836 6.211 1.00 0.16 C ATOM 641 C LYS A2090 13.831 -0.417 6.118 1.00 0.17 C ATOM 642 O LYS A2090 14.686 -0.534 5.238 1.00 0.20 O ATOM 643 CB LYS A2090 13.105 1.435 7.605 1.00 0.21 C ATOM 644 CG LYS A2090 14.539 1.634 8.038 1.00 0.29 C ATOM 645 CD LYS A2090 15.241 2.613 7.133 1.00 0.38 C ATOM 646 CE LYS A2090 16.289 1.923 6.289 1.00 1.54 C ATOM 647 NZ LYS A2090 17.089 2.880 5.479 1.00 1.69 N ATOM 0 H LYS A2090 10.933 0.938 6.632 1.00 0.12 H new ATOM 0 HA LYS A2090 13.305 1.549 5.458 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.589 2.395 7.631 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.604 0.784 8.322 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.566 1.998 9.065 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.064 0.679 8.024 1.00 0.29 H new ATOM 0 HD2 LYS A2090 14.512 3.101 6.486 1.00 0.38 H new ATOM 0 HD3 LYS A2090 15.709 3.394 7.732 1.00 0.38 H new ATOM 0 HE2 LYS A2090 16.956 1.354 6.937 1.00 1.54 H new ATOM 0 HE3 LYS A2090 15.803 1.208 5.625 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 17.793 2.357 4.919 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 16.459 3.405 4.840 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 17.576 3.547 6.111 1.00 1.69 H new ATOM 661 N ASP A2091 13.587 -1.347 7.034 1.00 0.17 N ATOM 662 CA ASP A2091 14.342 -2.597 7.101 1.00 0.20 C ATOM 663 C ASP A2091 14.270 -3.363 5.783 1.00 0.20 C ATOM 664 O ASP A2091 15.195 -4.090 5.421 1.00 0.32 O ATOM 665 CB ASP A2091 13.814 -3.495 8.221 1.00 0.24 C ATOM 666 CG ASP A2091 13.957 -2.885 9.595 1.00 1.23 C ATOM 667 OD1 ASP A2091 13.054 -2.138 10.016 1.00 2.27 O ATOM 668 OD2 ASP A2091 14.984 -3.132 10.256 1.00 1.15 O ATOM 0 H ASP A2091 12.865 -1.259 7.749 1.00 0.17 H new ATOM 0 HA ASP A2091 15.379 -2.330 7.303 1.00 0.20 H new ATOM 0 HB2 ASP A2091 12.762 -3.714 8.036 1.00 0.24 H new ATOM 0 HB3 ASP A2091 14.347 -4.446 8.196 1.00 0.24 H new ATOM 673 N LEU A2092 13.160 -3.199 5.082 1.00 0.16 N ATOM 674 CA LEU A2092 12.924 -3.891 3.824 1.00 0.18 C ATOM 675 C LEU A2092 13.739 -3.290 2.679 1.00 0.19 C ATOM 676 O LEU A2092 13.900 -3.915 1.632 1.00 0.24 O ATOM 677 CB LEU A2092 11.429 -3.859 3.510 1.00 0.17 C ATOM 678 CG LEU A2092 10.567 -4.583 4.547 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.091 -4.322 4.333 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.844 -6.070 4.505 1.00 0.23 C ATOM 0 H LEU A2092 12.398 -2.584 5.368 1.00 0.16 H new ATOM 0 HA LEU A2092 13.253 -4.925 3.929 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.103 -2.821 3.441 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.262 -4.311 2.532 1.00 0.17 H new ATOM 0 HG LEU A2092 10.832 -4.192 5.529 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.514 -4.854 5.090 1.00 0.18 H new ATOM 0 HD12 LEU A2092 8.895 -3.253 4.413 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.800 -4.671 3.343 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.226 -6.576 5.246 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.610 -6.456 3.513 1.00 0.23 H new ATOM 0 HD23 LEU A2092 11.896 -6.250 4.725 1.00 0.23 H new ATOM 692 N GLY A2093 14.256 -2.086 2.879 1.00 0.16 N ATOM 693 CA GLY A2093 15.130 -1.490 1.887 1.00 0.18 C ATOM 694 C GLY A2093 14.572 -0.221 1.277 1.00 0.15 C ATOM 695 O GLY A2093 15.134 0.304 0.315 1.00 0.20 O ATOM 0 H GLY A2093 14.088 -1.513 3.706 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.093 -1.270 2.348 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.314 -2.215 1.094 1.00 0.18 H new ATOM 699 N ILE A2094 13.470 0.272 1.820 1.00 0.13 N ATOM 700 CA ILE A2094 12.850 1.483 1.318 1.00 0.12 C ATOM 701 C ILE A2094 13.676 2.735 1.607 1.00 0.12 C ATOM 702 O ILE A2094 14.137 2.952 2.732 1.00 0.16 O ATOM 703 CB ILE A2094 11.439 1.627 1.911 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.456 0.821 1.066 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.023 3.088 2.024 1.00 0.18 C ATOM 706 CD1 ILE A2094 10.051 1.506 -0.216 1.00 0.32 C ATOM 0 H ILE A2094 12.987 -0.152 2.612 1.00 0.13 H new ATOM 0 HA ILE A2094 12.791 1.391 0.234 1.00 0.12 H new ATOM 0 HB ILE A2094 11.438 1.231 2.926 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.903 -0.144 0.826 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.563 0.620 1.657 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.020 3.149 2.447 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.723 3.617 2.671 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.028 3.545 1.035 1.00 0.18 H new ATOM 0 HD11 ILE A2094 9.352 0.873 -0.762 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.573 2.458 0.015 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.935 1.683 -0.829 1.00 0.32 H new ATOM 718 N ASP A2095 13.852 3.547 0.570 1.00 0.15 N ATOM 719 CA ASP A2095 14.449 4.866 0.709 1.00 0.19 C ATOM 720 C ASP A2095 13.373 5.919 0.514 1.00 0.16 C ATOM 721 O ASP A2095 12.224 5.577 0.245 1.00 0.17 O ATOM 722 CB ASP A2095 15.569 5.085 -0.311 1.00 0.28 C ATOM 723 CG ASP A2095 16.836 4.334 0.035 1.00 1.04 C ATOM 724 OD1 ASP A2095 17.647 4.861 0.830 1.00 1.23 O ATOM 725 OD2 ASP A2095 17.039 3.224 -0.495 1.00 1.86 O ATOM 0 H ASP A2095 13.586 3.309 -0.385 1.00 0.15 H new ATOM 0 HA ASP A2095 14.883 4.945 1.706 1.00 0.19 H new ATOM 0 HB2 ASP A2095 15.223 4.770 -1.296 1.00 0.28 H new ATOM 0 HB3 ASP A2095 15.791 6.150 -0.377 1.00 0.28 H new ATOM 730 N SER A2096 13.731 7.186 0.631 1.00 0.19 N ATOM 731 CA SER A2096 12.770 8.265 0.455 1.00 0.20 C ATOM 732 C SER A2096 12.175 8.232 -0.953 1.00 0.17 C ATOM 733 O SER A2096 10.963 8.373 -1.137 1.00 0.20 O ATOM 734 CB SER A2096 13.452 9.606 0.718 1.00 0.26 C ATOM 735 OG SER A2096 14.702 9.675 0.051 1.00 1.32 O ATOM 0 H SER A2096 14.679 7.494 0.847 1.00 0.19 H new ATOM 0 HA SER A2096 11.956 8.134 1.168 1.00 0.20 H new ATOM 0 HB2 SER A2096 12.809 10.419 0.380 1.00 0.26 H new ATOM 0 HB3 SER A2096 13.599 9.740 1.790 1.00 0.26 H new ATOM 0 HG SER A2096 15.121 10.542 0.231 1.00 1.32 H new ATOM 741 N LEU A2097 13.044 8.010 -1.930 1.00 0.17 N ATOM 742 CA LEU A2097 12.683 7.937 -3.316 1.00 0.19 C ATOM 743 C LEU A2097 11.659 6.857 -3.561 1.00 0.18 C ATOM 744 O LEU A2097 10.623 7.087 -4.170 1.00 0.24 O ATOM 745 CB LEU A2097 13.947 7.604 -4.068 1.00 0.23 C ATOM 746 CG LEU A2097 13.948 7.936 -5.536 1.00 1.07 C ATOM 747 CD1 LEU A2097 13.544 9.385 -5.741 1.00 1.61 C ATOM 748 CD2 LEU A2097 15.331 7.678 -6.081 1.00 1.55 C ATOM 0 H LEU A2097 14.041 7.874 -1.763 1.00 0.17 H new ATOM 0 HA LEU A2097 12.245 8.881 -3.641 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.776 8.131 -3.596 1.00 0.23 H new ATOM 0 HB3 LEU A2097 14.142 6.537 -3.957 1.00 0.23 H new ATOM 0 HG LEU A2097 13.228 7.313 -6.067 1.00 1.07 H new ATOM 0 HD11 LEU A2097 13.547 9.616 -6.806 1.00 1.61 H new ATOM 0 HD12 LEU A2097 12.544 9.544 -5.338 1.00 1.61 H new ATOM 0 HD13 LEU A2097 14.250 10.036 -5.226 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.352 7.913 -7.145 1.00 1.55 H new ATOM 0 HD22 LEU A2097 16.052 8.305 -5.556 1.00 1.55 H new ATOM 0 HD23 LEU A2097 15.589 6.629 -5.936 1.00 1.55 H new ATOM 760 N THR A2098 11.962 5.666 -3.103 1.00 0.14 N ATOM 761 CA THR A2098 11.058 4.562 -3.291 1.00 0.15 C ATOM 762 C THR A2098 9.834 4.643 -2.403 1.00 0.16 C ATOM 763 O THR A2098 8.786 4.094 -2.737 1.00 0.17 O ATOM 764 CB THR A2098 11.739 3.218 -3.123 1.00 0.15 C ATOM 765 OG1 THR A2098 12.850 3.335 -2.220 1.00 0.17 O ATOM 766 CG2 THR A2098 12.192 2.721 -4.479 1.00 0.19 C ATOM 0 H THR A2098 12.821 5.440 -2.602 1.00 0.14 H new ATOM 0 HA THR A2098 10.722 4.644 -4.325 1.00 0.15 H new ATOM 0 HB THR A2098 11.038 2.499 -2.698 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.282 2.461 -2.117 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.683 1.754 -4.367 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.328 2.615 -5.135 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.892 3.435 -4.913 1.00 0.19 H new ATOM 774 N ALA A2099 9.961 5.316 -1.270 1.00 0.16 N ATOM 775 CA ALA A2099 8.802 5.606 -0.442 1.00 0.18 C ATOM 776 C ALA A2099 7.814 6.454 -1.236 1.00 0.21 C ATOM 777 O ALA A2099 6.615 6.490 -0.959 1.00 0.24 O ATOM 778 CB ALA A2099 9.220 6.323 0.831 1.00 0.18 C ATOM 0 H ALA A2099 10.846 5.669 -0.906 1.00 0.16 H new ATOM 0 HA ALA A2099 8.322 4.670 -0.157 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.339 6.531 1.437 1.00 0.18 H new ATOM 0 HB2 ALA A2099 9.907 5.692 1.395 1.00 0.18 H new ATOM 0 HB3 ALA A2099 9.714 7.260 0.575 1.00 0.18 H new ATOM 784 N LEU A2100 8.349 7.105 -2.251 1.00 0.20 N ATOM 785 CA LEU A2100 7.583 7.922 -3.158 1.00 0.24 C ATOM 786 C LEU A2100 7.017 7.028 -4.251 1.00 0.20 C ATOM 787 O LEU A2100 5.824 7.072 -4.560 1.00 0.21 O ATOM 788 CB LEU A2100 8.525 9.024 -3.690 1.00 0.30 C ATOM 789 CG LEU A2100 8.216 9.692 -5.035 1.00 0.24 C ATOM 790 CD1 LEU A2100 8.548 8.795 -6.215 1.00 1.03 C ATOM 791 CD2 LEU A2100 6.778 10.193 -5.094 1.00 1.15 C ATOM 0 H LEU A2100 9.345 7.077 -2.468 1.00 0.20 H new ATOM 0 HA LEU A2100 6.733 8.409 -2.679 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.568 9.810 -2.936 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.524 8.595 -3.760 1.00 0.30 H new ATOM 0 HG LEU A2100 8.869 10.562 -5.112 1.00 0.24 H new ATOM 0 HD11 LEU A2100 8.311 9.314 -7.144 1.00 1.03 H new ATOM 0 HD12 LEU A2100 9.610 8.548 -6.197 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.962 7.878 -6.152 1.00 1.03 H new ATOM 0 HD21 LEU A2100 6.595 10.661 -6.061 1.00 1.15 H new ATOM 0 HD22 LEU A2100 6.095 9.354 -4.961 1.00 1.15 H new ATOM 0 HD23 LEU A2100 6.614 10.923 -4.301 1.00 1.15 H new ATOM 803 N GLU A2101 7.890 6.204 -4.816 1.00 0.21 N ATOM 804 CA GLU A2101 7.513 5.255 -5.863 1.00 0.20 C ATOM 805 C GLU A2101 6.397 4.313 -5.407 1.00 0.17 C ATOM 806 O GLU A2101 5.496 3.983 -6.185 1.00 0.17 O ATOM 807 CB GLU A2101 8.734 4.456 -6.298 1.00 0.23 C ATOM 808 CG GLU A2101 9.893 5.348 -6.682 1.00 0.28 C ATOM 809 CD GLU A2101 10.964 4.632 -7.477 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.148 4.691 -7.085 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.628 4.012 -8.508 1.00 0.45 O ATOM 0 H GLU A2101 8.878 6.172 -4.564 1.00 0.21 H new ATOM 0 HA GLU A2101 7.130 5.826 -6.709 1.00 0.20 H new ATOM 0 HB2 GLU A2101 9.040 3.794 -5.488 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.469 3.823 -7.145 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.517 6.188 -7.266 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.338 5.763 -5.778 1.00 0.28 H new ATOM 818 N LEU A2102 6.463 3.874 -4.153 1.00 0.16 N ATOM 819 CA LEU A2102 5.401 3.074 -3.568 1.00 0.16 C ATOM 820 C LEU A2102 4.084 3.800 -3.644 1.00 0.16 C ATOM 821 O LEU A2102 3.152 3.356 -4.307 1.00 0.21 O ATOM 822 CB LEU A2102 5.696 2.776 -2.108 1.00 0.22 C ATOM 823 CG LEU A2102 6.714 1.683 -1.861 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.554 1.132 -0.466 1.00 1.09 C ATOM 825 CD2 LEU A2102 6.562 0.586 -2.885 1.00 1.13 C ATOM 0 H LEU A2102 7.244 4.061 -3.525 1.00 0.16 H new ATOM 0 HA LEU A2102 5.345 2.144 -4.133 1.00 0.16 H new ATOM 0 HB2 LEU A2102 6.048 3.691 -1.632 1.00 0.22 H new ATOM 0 HB3 LEU A2102 4.764 2.499 -1.616 1.00 0.22 H new ATOM 0 HG LEU A2102 7.715 2.105 -1.955 1.00 0.53 H new ATOM 0 HD11 LEU A2102 7.291 0.346 -0.298 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.704 1.931 0.260 1.00 1.09 H new ATOM 0 HD13 LEU A2102 5.552 0.720 -0.350 1.00 1.09 H new ATOM 0 HD21 LEU A2102 7.300 -0.193 -2.696 1.00 1.13 H new ATOM 0 HD22 LEU A2102 5.560 0.161 -2.817 1.00 1.13 H new ATOM 0 HD23 LEU A2102 6.715 0.996 -3.883 1.00 1.13 H new ATOM 837 N ARG A2103 4.030 4.916 -2.947 1.00 0.18 N ATOM 838 CA ARG A2103 2.870 5.781 -2.938 1.00 0.25 C ATOM 839 C ARG A2103 2.379 6.064 -4.358 1.00 0.22 C ATOM 840 O ARG A2103 1.179 6.108 -4.600 1.00 0.24 O ATOM 841 CB ARG A2103 3.241 7.076 -2.205 1.00 0.37 C ATOM 842 CG ARG A2103 2.297 8.243 -2.430 1.00 0.72 C ATOM 843 CD ARG A2103 2.739 9.117 -3.602 1.00 0.65 C ATOM 844 NE ARG A2103 1.976 10.362 -3.678 1.00 1.21 N ATOM 845 CZ ARG A2103 2.093 11.261 -4.657 1.00 1.49 C ATOM 846 NH1 ARG A2103 2.878 11.027 -5.699 1.00 1.92 N ATOM 847 NH2 ARG A2103 1.396 12.390 -4.597 1.00 2.11 N ATOM 0 H ARG A2103 4.798 5.251 -2.365 1.00 0.18 H new ATOM 0 HA ARG A2103 2.048 5.290 -2.418 1.00 0.25 H new ATOM 0 HB2 ARG A2103 3.287 6.868 -1.136 1.00 0.37 H new ATOM 0 HB3 ARG A2103 4.242 7.375 -2.515 1.00 0.37 H new ATOM 0 HG2 ARG A2103 1.292 7.866 -2.618 1.00 0.72 H new ATOM 0 HG3 ARG A2103 2.246 8.848 -1.525 1.00 0.72 H new ATOM 0 HD2 ARG A2103 3.800 9.348 -3.502 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.620 8.562 -4.533 1.00 0.65 H new ATOM 0 HE ARG A2103 1.309 10.557 -2.932 1.00 1.21 H new ATOM 0 HH11 ARG A2103 3.400 10.153 -5.758 1.00 1.92 H new ATOM 0 HH12 ARG A2103 2.960 11.721 -6.442 1.00 1.92 H new ATOM 0 HH21 ARG A2103 0.776 12.565 -3.806 1.00 2.11 H new ATOM 0 HH22 ARG A2103 1.481 13.082 -5.342 1.00 2.11 H new ATOM 861 N ASN A2104 3.310 6.236 -5.286 1.00 0.21 N ATOM 862 CA ASN A2104 2.977 6.470 -6.685 1.00 0.22 C ATOM 863 C ASN A2104 2.165 5.314 -7.266 1.00 0.23 C ATOM 864 O ASN A2104 1.229 5.527 -8.035 1.00 0.29 O ATOM 865 CB ASN A2104 4.258 6.691 -7.494 1.00 0.23 C ATOM 866 CG ASN A2104 4.659 8.152 -7.548 1.00 0.31 C ATOM 867 OD1 ASN A2104 3.818 9.043 -7.447 1.00 0.40 O ATOM 868 ND2 ASN A2104 5.943 8.410 -7.727 1.00 0.36 N ATOM 0 H ASN A2104 4.311 6.218 -5.093 1.00 0.21 H new ATOM 0 HA ASN A2104 2.359 7.366 -6.745 1.00 0.22 H new ATOM 0 HB2 ASN A2104 5.068 6.110 -7.053 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.114 6.318 -8.508 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.266 9.376 -7.786 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.611 7.643 -7.806 1.00 0.36 H new ATOM 875 N THR A2105 2.517 4.097 -6.883 1.00 0.21 N ATOM 876 CA THR A2105 1.799 2.909 -7.326 1.00 0.24 C ATOM 877 C THR A2105 0.526 2.709 -6.496 1.00 0.22 C ATOM 878 O THR A2105 -0.528 2.338 -7.022 1.00 0.24 O ATOM 879 CB THR A2105 2.703 1.666 -7.203 1.00 0.28 C ATOM 880 OG1 THR A2105 3.960 1.920 -7.850 1.00 0.33 O ATOM 881 CG2 THR A2105 2.049 0.442 -7.825 1.00 0.28 C ATOM 0 H THR A2105 3.302 3.904 -6.261 1.00 0.21 H new ATOM 0 HA THR A2105 1.518 3.046 -8.370 1.00 0.24 H new ATOM 0 HB THR A2105 2.862 1.465 -6.144 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.480 2.556 -7.316 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.712 -0.417 -7.722 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.106 0.236 -7.318 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.859 0.629 -8.882 1.00 0.28 H new ATOM 889 N LEU A2106 0.639 2.978 -5.201 1.00 0.20 N ATOM 890 CA LEU A2106 -0.469 2.846 -4.254 1.00 0.19 C ATOM 891 C LEU A2106 -1.603 3.807 -4.587 1.00 0.18 C ATOM 892 O LEU A2106 -2.743 3.390 -4.778 1.00 0.22 O ATOM 893 CB LEU A2106 0.029 3.132 -2.832 1.00 0.28 C ATOM 894 CG LEU A2106 0.589 1.940 -2.048 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.548 1.110 -2.888 1.00 1.25 C ATOM 896 CD2 LEU A2106 1.283 2.425 -0.786 1.00 1.47 C ATOM 0 H LEU A2106 1.508 3.297 -4.772 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.848 1.826 -4.323 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.804 3.896 -2.890 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.796 3.558 -2.261 1.00 0.28 H new ATOM 0 HG LEU A2106 -0.250 1.299 -1.777 1.00 0.50 H new ATOM 0 HD11 LEU A2106 1.922 0.275 -2.295 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.026 0.727 -3.765 1.00 1.25 H new ATOM 0 HD13 LEU A2106 2.384 1.732 -3.207 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.677 1.570 -0.236 1.00 1.47 H new ATOM 0 HD22 LEU A2106 2.102 3.093 -1.055 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.569 2.960 -0.161 1.00 1.47 H new ATOM 908 N THR A2107 -1.284 5.092 -4.657 1.00 0.19 N ATOM 909 CA THR A2107 -2.284 6.121 -4.900 1.00 0.27 C ATOM 910 C THR A2107 -2.899 5.940 -6.292 1.00 0.29 C ATOM 911 O THR A2107 -4.051 6.302 -6.529 1.00 0.33 O ATOM 912 CB THR A2107 -1.680 7.542 -4.727 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.709 8.499 -4.480 1.00 0.67 O ATOM 914 CG2 THR A2107 -0.880 7.975 -5.948 1.00 0.44 C ATOM 0 H THR A2107 -0.334 5.448 -4.548 1.00 0.19 H new ATOM 0 HA THR A2107 -3.077 6.016 -4.160 1.00 0.27 H new ATOM 0 HB THR A2107 -1.005 7.495 -3.872 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.377 8.453 -5.195 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.476 8.974 -5.783 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.061 7.275 -6.113 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.529 7.986 -6.823 1.00 0.44 H new ATOM 922 N HIS A2108 -2.118 5.360 -7.198 1.00 0.29 N ATOM 923 CA HIS A2108 -2.592 5.015 -8.534 1.00 0.35 C ATOM 924 C HIS A2108 -3.621 3.895 -8.457 1.00 0.35 C ATOM 925 O HIS A2108 -4.704 3.983 -9.028 1.00 0.47 O ATOM 926 CB HIS A2108 -1.408 4.579 -9.394 1.00 0.38 C ATOM 927 CG HIS A2108 -1.751 4.292 -10.825 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.862 5.267 -11.793 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.998 3.121 -11.443 1.00 1.06 C ATOM 930 CE1 HIS A2108 -2.164 4.703 -12.947 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.253 3.399 -12.763 1.00 1.29 N ATOM 0 H HIS A2108 -1.142 5.117 -7.028 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.065 5.889 -8.983 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.648 5.359 -9.365 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.965 3.686 -8.954 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.996 2.143 -10.984 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.313 5.220 -13.883 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.475 2.711 -13.483 1.00 1.29 H new ATOM 940 N ASN A2109 -3.255 2.849 -7.739 1.00 0.27 N ATOM 941 CA ASN A2109 -4.088 1.654 -7.600 1.00 0.28 C ATOM 942 C ASN A2109 -5.371 1.924 -6.819 1.00 0.28 C ATOM 943 O ASN A2109 -6.448 1.467 -7.200 1.00 0.36 O ATOM 944 CB ASN A2109 -3.290 0.553 -6.908 1.00 0.28 C ATOM 945 CG ASN A2109 -2.803 -0.505 -7.875 1.00 0.35 C ATOM 946 OD1 ASN A2109 -3.507 -1.470 -8.166 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.590 -0.336 -8.374 1.00 0.39 N ATOM 0 H ASN A2109 -2.371 2.798 -7.232 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.378 1.341 -8.603 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.435 0.995 -6.397 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.910 0.084 -6.144 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -1.207 -1.021 -9.026 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -1.038 0.479 -8.107 1.00 0.39 H new ATOM 954 N THR A2110 -5.253 2.678 -5.743 1.00 0.25 N ATOM 955 CA THR A2110 -6.376 2.943 -4.859 1.00 0.26 C ATOM 956 C THR A2110 -7.269 4.013 -5.468 1.00 0.27 C ATOM 957 O THR A2110 -8.466 4.096 -5.178 1.00 0.33 O ATOM 958 CB THR A2110 -5.866 3.379 -3.475 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.973 4.493 -3.618 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.133 2.231 -2.796 1.00 0.29 C ATOM 0 H THR A2110 -4.381 3.123 -5.456 1.00 0.25 H new ATOM 0 HA THR A2110 -6.961 2.032 -4.736 1.00 0.26 H new ATOM 0 HB THR A2110 -6.720 3.668 -2.863 1.00 0.27 H new ATOM 0 HG1 THR A2110 -4.089 4.171 -3.893 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.778 2.554 -1.818 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.812 1.387 -2.675 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.284 1.929 -3.409 1.00 0.29 H new ATOM 968 N GLY A2111 -6.669 4.815 -6.341 1.00 0.23 N ATOM 969 CA GLY A2111 -7.405 5.832 -7.056 1.00 0.26 C ATOM 970 C GLY A2111 -7.559 7.097 -6.246 1.00 0.29 C ATOM 971 O GLY A2111 -8.279 8.018 -6.633 1.00 0.36 O ATOM 0 H GLY A2111 -5.675 4.775 -6.565 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.892 6.061 -7.990 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.391 5.448 -7.319 1.00 0.26 H new ATOM 975 N LEU A2112 -6.882 7.135 -5.114 1.00 0.28 N ATOM 976 CA LEU A2112 -6.934 8.274 -4.220 1.00 0.34 C ATOM 977 C LEU A2112 -5.744 9.171 -4.466 1.00 0.29 C ATOM 978 O LEU A2112 -5.114 9.120 -5.526 1.00 0.29 O ATOM 979 CB LEU A2112 -6.901 7.809 -2.769 1.00 0.43 C ATOM 980 CG LEU A2112 -7.238 6.346 -2.532 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.682 5.937 -1.197 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.735 6.089 -2.576 1.00 0.47 C ATOM 0 H LEU A2112 -6.281 6.377 -4.789 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.859 8.818 -4.408 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -5.906 8.002 -2.369 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.599 8.420 -2.196 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.791 5.754 -3.331 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -6.915 4.889 -1.011 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.601 6.074 -1.196 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.126 6.552 -0.414 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -8.928 5.030 -2.402 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.228 6.680 -1.804 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.124 6.372 -3.554 1.00 0.47 H new ATOM 994 N ASP A2113 -5.445 9.986 -3.479 1.00 0.28 N ATOM 995 CA ASP A2113 -4.316 10.886 -3.540 1.00 0.28 C ATOM 996 C ASP A2113 -3.647 10.943 -2.186 1.00 0.30 C ATOM 997 O ASP A2113 -4.269 11.293 -1.180 1.00 0.35 O ATOM 998 CB ASP A2113 -4.757 12.266 -3.979 1.00 0.34 C ATOM 999 CG ASP A2113 -3.611 13.257 -4.032 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -2.762 13.138 -4.936 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.564 14.169 -3.178 1.00 0.43 O ATOM 0 H ASP A2113 -5.978 10.043 -2.611 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.602 10.516 -4.275 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.220 12.199 -4.964 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.519 12.635 -3.293 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.384 10.594 -2.178 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.651 10.338 -0.948 1.00 0.30 C ATOM 1008 C LEU A2114 -0.292 11.030 -0.957 1.00 0.30 C ATOM 1009 O LEU A2114 0.210 11.410 -2.014 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.457 8.828 -0.804 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.742 8.007 -0.886 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.433 6.523 -0.852 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.680 8.391 0.245 1.00 0.91 C ATOM 0 H LEU A2114 -1.827 10.477 -3.025 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.221 10.735 -0.108 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.775 8.488 -1.583 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.975 8.627 0.153 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.236 8.224 -1.833 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.362 5.956 -0.912 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.796 6.265 -1.698 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.919 6.280 0.078 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.593 7.800 0.177 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -3.194 8.199 1.202 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.927 9.450 0.169 1.00 0.91 H new ATOM 1025 N PRO A2115 0.312 11.210 0.227 1.00 0.29 N ATOM 1026 CA PRO A2115 1.664 11.759 0.362 1.00 0.31 C ATOM 1027 C PRO A2115 2.734 10.686 0.186 1.00 0.28 C ATOM 1028 O PRO A2115 2.501 9.516 0.477 1.00 0.25 O ATOM 1029 CB PRO A2115 1.674 12.249 1.806 1.00 0.33 C ATOM 1030 CG PRO A2115 0.821 11.261 2.515 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.282 10.912 1.549 1.00 0.30 C ATOM 0 HA PRO A2115 1.881 12.523 -0.385 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.684 12.273 2.214 1.00 0.33 H new ATOM 0 HB3 PRO A2115 1.272 13.259 1.890 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.394 10.376 2.792 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.417 11.681 3.436 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.572 9.865 1.632 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.178 11.506 1.730 1.00 0.30 H new ATOM 1039 N PRO A2116 3.929 11.067 -0.282 1.00 0.33 N ATOM 1040 CA PRO A2116 5.058 10.143 -0.382 1.00 0.36 C ATOM 1041 C PRO A2116 5.624 9.800 0.994 1.00 0.34 C ATOM 1042 O PRO A2116 6.526 8.972 1.122 1.00 0.43 O ATOM 1043 CB PRO A2116 6.083 10.915 -1.209 1.00 0.44 C ATOM 1044 CG PRO A2116 5.760 12.350 -0.980 1.00 0.46 C ATOM 1045 CD PRO A2116 4.275 12.419 -0.759 1.00 0.43 C ATOM 0 HA PRO A2116 4.776 9.190 -0.829 1.00 0.36 H new ATOM 0 HB2 PRO A2116 7.100 10.684 -0.893 1.00 0.44 H new ATOM 0 HB3 PRO A2116 6.012 10.658 -2.266 1.00 0.44 H new ATOM 0 HG2 PRO A2116 6.300 12.737 -0.116 1.00 0.46 H new ATOM 0 HG3 PRO A2116 6.054 12.956 -1.837 1.00 0.46 H new ATOM 0 HD2 PRO A2116 4.014 13.181 -0.025 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.745 12.667 -1.678 1.00 0.43 H new ATOM 1053 N THR A2117 5.081 10.446 2.022 1.00 0.27 N ATOM 1054 CA THR A2117 5.512 10.222 3.389 1.00 0.24 C ATOM 1055 C THR A2117 4.663 9.162 4.082 1.00 0.17 C ATOM 1056 O THR A2117 4.862 8.890 5.260 1.00 0.15 O ATOM 1057 CB THR A2117 5.468 11.526 4.196 1.00 0.27 C ATOM 1058 OG1 THR A2117 4.254 12.232 3.904 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.666 12.404 3.872 1.00 0.36 C ATOM 0 H THR A2117 4.335 11.135 1.927 1.00 0.27 H new ATOM 0 HA THR A2117 6.540 9.862 3.344 1.00 0.24 H new ATOM 0 HB THR A2117 5.501 11.279 5.257 1.00 0.27 H new ATOM 0 HG1 THR A2117 4.227 13.064 4.422 1.00 0.32 H new ATOM 0 HG21 THR A2117 6.613 13.323 4.456 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.585 11.871 4.117 1.00 0.36 H new ATOM 0 HG23 THR A2117 6.661 12.649 2.810 1.00 0.36 H new ATOM 1067 N LEU A2118 3.706 8.581 3.348 1.00 0.16 N ATOM 1068 CA LEU A2118 2.941 7.423 3.828 1.00 0.16 C ATOM 1069 C LEU A2118 3.828 6.434 4.543 1.00 0.16 C ATOM 1070 O LEU A2118 3.604 6.075 5.695 1.00 0.19 O ATOM 1071 CB LEU A2118 2.345 6.665 2.658 1.00 0.23 C ATOM 1072 CG LEU A2118 1.175 7.306 1.959 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.734 6.393 0.832 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.056 7.548 2.952 1.00 0.77 C ATOM 0 H LEU A2118 3.442 8.896 2.414 1.00 0.16 H new ATOM 0 HA LEU A2118 2.175 7.816 4.497 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.133 6.502 1.922 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.032 5.683 3.013 1.00 0.23 H new ATOM 0 HG LEU A2118 1.456 8.272 1.541 1.00 0.33 H new ATOM 0 HD11 LEU A2118 -0.114 6.840 0.312 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.558 6.256 0.131 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.440 5.426 1.241 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.789 8.012 2.442 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.258 6.598 3.385 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.409 8.208 3.744 1.00 0.77 H new ATOM 1086 N ILE A2119 4.816 5.992 3.797 1.00 0.15 N ATOM 1087 CA ILE A2119 5.765 4.980 4.230 1.00 0.18 C ATOM 1088 C ILE A2119 6.440 5.371 5.547 1.00 0.20 C ATOM 1089 O ILE A2119 6.872 4.515 6.313 1.00 0.28 O ATOM 1090 CB ILE A2119 6.848 4.780 3.150 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.244 4.808 1.736 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.602 3.484 3.375 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.147 3.796 1.481 1.00 0.20 C ATOM 0 H ILE A2119 4.989 6.331 2.851 1.00 0.15 H new ATOM 0 HA ILE A2119 5.213 4.053 4.385 1.00 0.18 H new ATOM 0 HB ILE A2119 7.550 5.610 3.233 1.00 0.19 H new ATOM 0 HG12 ILE A2119 5.846 5.805 1.548 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.043 4.642 1.014 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.360 3.365 2.601 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.082 3.508 4.353 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.906 2.646 3.333 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.789 3.898 0.457 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.538 2.790 1.630 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.323 3.971 2.173 1.00 0.20 H new ATOM 1105 N PHE A2120 6.536 6.670 5.787 1.00 0.17 N ATOM 1106 CA PHE A2120 7.156 7.198 6.982 1.00 0.19 C ATOM 1107 C PHE A2120 6.134 7.406 8.105 1.00 0.20 C ATOM 1108 O PHE A2120 6.445 7.251 9.287 1.00 0.26 O ATOM 1109 CB PHE A2120 7.840 8.505 6.617 1.00 0.19 C ATOM 1110 CG PHE A2120 9.040 8.283 5.751 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.027 7.404 6.155 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.176 8.927 4.533 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.126 7.165 5.366 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.280 8.696 3.736 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.258 7.812 4.153 1.00 0.38 C ATOM 0 H PHE A2120 6.183 7.386 5.153 1.00 0.17 H new ATOM 0 HA PHE A2120 7.887 6.484 7.360 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.133 9.153 6.099 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.140 9.024 7.527 1.00 0.19 H new ATOM 0 HD1 PHE A2120 9.933 6.898 7.104 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.412 9.616 4.203 1.00 0.27 H new ATOM 0 HE1 PHE A2120 11.886 6.472 5.694 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.379 9.205 2.789 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.122 7.628 3.532 1.00 0.38 H new ATOM 1125 N ASP A2121 4.915 7.762 7.717 1.00 0.17 N ATOM 1126 CA ASP A2121 3.836 8.050 8.663 1.00 0.22 C ATOM 1127 C ASP A2121 3.224 6.759 9.193 1.00 0.20 C ATOM 1128 O ASP A2121 2.854 6.651 10.362 1.00 0.29 O ATOM 1129 CB ASP A2121 2.755 8.884 7.969 1.00 0.29 C ATOM 1130 CG ASP A2121 1.735 9.455 8.934 1.00 0.74 C ATOM 1131 OD1 ASP A2121 0.523 9.329 8.674 1.00 1.34 O ATOM 1132 OD2 ASP A2121 2.144 10.006 9.979 1.00 0.88 O ATOM 0 H ASP A2121 4.644 7.860 6.739 1.00 0.17 H new ATOM 0 HA ASP A2121 4.250 8.608 9.503 1.00 0.22 H new ATOM 0 HB2 ASP A2121 3.228 9.701 7.424 1.00 0.29 H new ATOM 0 HB3 ASP A2121 2.243 8.264 7.233 1.00 0.29 H new ATOM 1137 N HIS A2122 3.127 5.781 8.310 1.00 0.14 N ATOM 1138 CA HIS A2122 2.590 4.471 8.637 1.00 0.14 C ATOM 1139 C HIS A2122 3.536 3.426 8.083 1.00 0.14 C ATOM 1140 O HIS A2122 3.277 2.831 7.036 1.00 0.14 O ATOM 1141 CB HIS A2122 1.205 4.256 8.017 1.00 0.16 C ATOM 1142 CG HIS A2122 0.202 5.313 8.344 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.691 5.209 9.386 1.00 0.34 N ATOM 1144 CD2 HIS A2122 -0.062 6.496 7.740 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.462 6.279 9.410 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -1.102 7.077 8.421 1.00 0.40 N ATOM 0 H HIS A2122 3.421 5.874 7.338 1.00 0.14 H new ATOM 0 HA HIS A2122 2.492 4.393 9.720 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.312 4.199 6.934 1.00 0.16 H new ATOM 0 HB3 HIS A2122 0.819 3.293 8.350 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.450 6.906 6.882 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -2.254 6.470 10.119 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.527 7.977 8.200 1.00 0.40 H new ATOM 1155 N PRO A2123 4.651 3.190 8.764 1.00 0.16 N ATOM 1156 CA PRO A2123 5.701 2.370 8.227 1.00 0.17 C ATOM 1157 C PRO A2123 5.552 0.911 8.606 1.00 0.15 C ATOM 1158 O PRO A2123 5.783 0.528 9.749 1.00 0.19 O ATOM 1159 CB PRO A2123 6.938 2.972 8.894 1.00 0.20 C ATOM 1160 CG PRO A2123 6.453 3.649 10.142 1.00 0.25 C ATOM 1161 CD PRO A2123 4.947 3.654 10.097 1.00 0.20 C ATOM 0 HA PRO A2123 5.722 2.369 7.137 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.669 2.198 9.130 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.430 3.684 8.231 1.00 0.20 H new ATOM 0 HG2 PRO A2123 6.809 3.122 11.027 1.00 0.25 H new ATOM 0 HG3 PRO A2123 6.838 4.667 10.201 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.520 2.997 10.855 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.543 4.651 10.275 1.00 0.20 H new ATOM 1169 N THR A2124 5.088 0.161 7.621 1.00 0.12 N ATOM 1170 CA THR A2124 5.194 -1.283 7.462 1.00 0.10 C ATOM 1171 C THR A2124 4.234 -1.620 6.339 1.00 0.10 C ATOM 1172 O THR A2124 3.335 -0.813 6.080 1.00 0.11 O ATOM 1173 CB THR A2124 4.859 -2.132 8.710 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.713 -1.622 9.390 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.042 -2.198 9.648 1.00 0.11 C ATOM 0 H THR A2124 4.582 0.583 6.842 1.00 0.12 H new ATOM 0 HA THR A2124 6.237 -1.531 7.264 1.00 0.10 H new ATOM 0 HB THR A2124 4.629 -3.142 8.370 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.523 -2.179 10.174 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.783 -2.800 10.519 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.890 -2.650 9.133 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.308 -1.191 9.970 1.00 0.11 H new ATOM 1183 N PRO A2125 4.361 -2.743 5.633 1.00 0.11 N ATOM 1184 CA PRO A2125 3.331 -3.122 4.677 1.00 0.12 C ATOM 1185 C PRO A2125 1.969 -3.188 5.362 1.00 0.13 C ATOM 1186 O PRO A2125 0.961 -2.760 4.802 1.00 0.14 O ATOM 1187 CB PRO A2125 3.764 -4.495 4.178 1.00 0.12 C ATOM 1188 CG PRO A2125 5.227 -4.558 4.454 1.00 0.12 C ATOM 1189 CD PRO A2125 5.478 -3.693 5.663 1.00 0.11 C ATOM 0 HA PRO A2125 3.227 -2.406 3.862 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.229 -5.291 4.697 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.557 -4.612 3.114 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.542 -5.585 4.641 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.798 -4.201 3.597 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.484 -4.278 6.583 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.440 -3.185 5.602 1.00 0.11 H new ATOM 1197 N HIS A2126 1.966 -3.671 6.607 1.00 0.13 N ATOM 1198 CA HIS A2126 0.740 -3.786 7.387 1.00 0.15 C ATOM 1199 C HIS A2126 0.209 -2.420 7.822 1.00 0.14 C ATOM 1200 O HIS A2126 -0.997 -2.201 7.790 1.00 0.16 O ATOM 1201 CB HIS A2126 0.977 -4.697 8.593 1.00 0.18 C ATOM 1202 CG HIS A2126 -0.150 -4.713 9.582 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.345 -5.356 9.351 1.00 0.35 N ATOM 1204 CD2 HIS A2126 -0.264 -4.141 10.802 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -2.145 -5.173 10.383 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.513 -4.441 11.279 1.00 0.40 N ATOM 0 H HIS A2126 2.804 -3.989 7.094 1.00 0.13 H new ATOM 0 HA HIS A2126 -0.026 -4.231 6.752 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.149 -5.713 8.238 1.00 0.18 H new ATOM 0 HB3 HIS A2126 1.887 -4.379 9.101 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.490 -3.556 11.307 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -3.149 -5.558 10.478 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.892 -4.146 12.179 1.00 0.40 H new ATOM 1215 N ALA A2127 1.090 -1.507 8.224 1.00 0.13 N ATOM 1216 CA ALA A2127 0.653 -0.162 8.616 1.00 0.12 C ATOM 1217 C ALA A2127 -0.060 0.524 7.461 1.00 0.11 C ATOM 1218 O ALA A2127 -1.042 1.245 7.653 1.00 0.11 O ATOM 1219 CB ALA A2127 1.828 0.689 9.096 1.00 0.13 C ATOM 0 H ALA A2127 2.096 -1.666 8.288 1.00 0.13 H new ATOM 0 HA ALA A2127 -0.044 -0.269 9.447 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.469 1.679 9.378 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.294 0.212 9.958 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.560 0.784 8.294 1.00 0.13 H new ATOM 1225 N LEU A2128 0.431 0.292 6.254 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.214 0.820 5.070 1.00 0.11 C ATOM 1227 C LEU A2128 -1.465 0.032 4.726 1.00 0.13 C ATOM 1228 O LEU A2128 -2.415 0.589 4.177 1.00 0.14 O ATOM 1229 CB LEU A2128 0.750 0.824 3.900 1.00 0.11 C ATOM 1230 CG LEU A2128 1.855 1.860 4.001 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.700 1.815 2.752 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.272 3.253 4.215 1.00 0.12 C ATOM 0 H LEU A2128 1.271 -0.257 6.072 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.514 1.847 5.281 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.202 -0.164 3.814 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.188 0.998 2.983 1.00 0.11 H new ATOM 0 HG LEU A2128 2.483 1.630 4.862 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.494 2.558 2.823 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.140 0.823 2.646 1.00 0.12 H new ATOM 0 HD13 LEU A2128 2.078 2.031 1.884 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.082 3.980 4.285 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.625 3.510 3.376 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.692 3.267 5.138 1.00 0.12 H new ATOM 1244 N THR A2129 -1.483 -1.249 5.080 1.00 0.15 N ATOM 1245 CA THR A2129 -2.661 -2.068 4.862 1.00 0.17 C ATOM 1246 C THR A2129 -3.825 -1.468 5.634 1.00 0.17 C ATOM 1247 O THR A2129 -4.986 -1.576 5.241 1.00 0.20 O ATOM 1248 CB THR A2129 -2.450 -3.538 5.301 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.258 -4.075 4.714 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.631 -4.397 4.883 1.00 0.18 C ATOM 0 H THR A2129 -0.700 -1.736 5.516 1.00 0.15 H new ATOM 0 HA THR A2129 -2.868 -2.079 3.792 1.00 0.17 H new ATOM 0 HB THR A2129 -2.358 -3.548 6.387 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.589 -3.364 4.623 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.463 -5.426 5.201 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.540 -4.017 5.349 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.738 -4.365 3.799 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.490 -0.802 6.726 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.486 -0.136 7.531 1.00 0.18 C ATOM 1260 C GLN A2130 -4.855 1.209 6.911 1.00 0.17 C ATOM 1261 O GLN A2130 -6.034 1.523 6.747 1.00 0.20 O ATOM 1262 CB GLN A2130 -3.993 0.082 8.961 1.00 0.22 C ATOM 1263 CG GLN A2130 -3.147 -1.051 9.524 1.00 0.28 C ATOM 1264 CD GLN A2130 -3.273 -1.167 11.029 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -3.150 -2.253 11.592 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.535 -0.052 11.693 1.00 1.13 N ATOM 0 H GLN A2130 -2.534 -0.711 7.071 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.366 -0.778 7.563 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.410 1.002 8.993 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.857 0.229 9.610 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.449 -1.991 9.062 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.102 -0.887 9.260 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -3.630 0.831 11.190 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -3.642 -0.075 12.707 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.841 1.999 6.554 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.073 3.335 6.018 1.00 0.18 C ATOM 1277 C HIS A2131 -4.880 3.284 4.727 1.00 0.18 C ATOM 1278 O HIS A2131 -5.891 3.970 4.599 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.749 4.066 5.781 1.00 0.23 C ATOM 1280 CG HIS A2131 -2.922 5.465 5.263 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.431 6.494 6.023 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.672 5.995 4.043 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.489 7.592 5.296 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.033 7.322 4.090 1.00 0.31 N ATOM 0 H HIS A2131 -2.858 1.736 6.627 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.651 3.887 6.760 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.189 4.100 6.716 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.150 3.496 5.071 1.00 0.23 H new ATOM 0 HD1 HIS A2131 -3.719 6.418 6.999 1.00 0.32 H new ATOM 0 HD2 HIS A2131 -2.264 5.473 3.190 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -3.850 8.553 5.633 1.00 0.35 H new ATOM 1293 N LEU A2132 -4.434 2.479 3.772 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.128 2.368 2.495 1.00 0.21 C ATOM 1295 C LEU A2132 -6.539 1.829 2.674 1.00 0.21 C ATOM 1296 O LEU A2132 -7.454 2.229 1.956 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.349 1.495 1.505 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.171 2.190 0.808 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.545 3.613 0.444 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.925 2.176 1.674 1.00 0.64 C ATOM 0 H LEU A2132 -3.601 1.897 3.855 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.195 3.375 2.082 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.972 0.620 2.035 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -5.039 1.133 0.743 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.947 1.636 -0.104 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.702 4.096 -0.050 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.402 3.603 -0.229 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.800 4.165 1.349 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.111 2.676 1.149 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.127 2.696 2.610 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.641 1.145 1.886 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.729 0.951 3.649 1.00 0.20 N ATOM 1313 CA HIS A2133 -8.044 0.391 3.892 1.00 0.21 C ATOM 1314 C HIS A2133 -8.954 1.465 4.471 1.00 0.21 C ATOM 1315 O HIS A2133 -10.139 1.530 4.147 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.974 -0.820 4.830 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.279 -1.549 4.931 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.915 -1.809 6.126 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.074 -2.067 3.965 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -11.044 -2.454 5.890 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.165 -2.623 4.586 1.00 0.31 N ATOM 0 H HIS A2133 -5.997 0.616 4.276 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.452 0.043 2.943 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.206 -1.506 4.474 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.670 -0.488 5.823 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -9.885 -2.047 2.902 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.749 -2.787 6.638 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.941 -3.090 4.117 1.00 0.31 H new ATOM 1330 N THR A2134 -8.383 2.312 5.313 1.00 0.18 N ATOM 1331 CA THR A2134 -9.103 3.441 5.878 1.00 0.22 C ATOM 1332 C THR A2134 -9.470 4.448 4.792 1.00 0.26 C ATOM 1333 O THR A2134 -10.602 4.912 4.735 1.00 0.34 O ATOM 1334 CB THR A2134 -8.266 4.124 6.973 1.00 0.26 C ATOM 1335 OG1 THR A2134 -7.858 3.152 7.946 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.052 5.227 7.664 1.00 0.36 C ATOM 0 H THR A2134 -7.414 2.237 5.622 1.00 0.18 H new ATOM 0 HA THR A2134 -10.023 3.064 6.325 1.00 0.22 H new ATOM 0 HB THR A2134 -7.392 4.570 6.499 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.111 2.627 7.591 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.432 5.689 8.432 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.344 5.980 6.931 1.00 0.36 H new ATOM 0 HG23 THR A2134 -9.945 4.804 8.124 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.518 4.750 3.918 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.741 5.686 2.821 1.00 0.32 C ATOM 1346 C ARG A2135 -9.906 5.255 1.929 1.00 0.40 C ATOM 1347 O ARG A2135 -10.769 6.063 1.584 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.479 5.804 1.972 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.313 6.448 2.689 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.647 7.864 3.114 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.861 8.762 1.981 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.612 10.073 2.011 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -6.120 10.638 3.108 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.865 10.820 0.945 1.00 1.64 N ATOM 0 H ARG A2135 -7.577 4.357 3.948 1.00 0.27 H new ATOM 0 HA ARG A2135 -8.990 6.651 3.263 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -7.183 4.809 1.639 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.708 6.384 1.078 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.049 5.855 3.565 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.441 6.458 2.035 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.543 7.850 3.734 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -5.838 8.253 3.732 1.00 0.33 H new ATOM 0 HE ARG A2135 -7.223 8.363 1.115 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -5.930 10.069 3.933 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -5.932 11.640 3.125 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -7.250 10.393 0.103 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -6.675 11.822 0.968 1.00 1.64 H new ATOM 1368 N LEU A2136 -9.911 3.985 1.547 1.00 0.41 N ATOM 1369 CA LEU A2136 -10.903 3.448 0.634 1.00 0.51 C ATOM 1370 C LEU A2136 -12.286 3.348 1.268 1.00 0.58 C ATOM 1371 O LEU A2136 -13.284 3.735 0.659 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.441 2.071 0.167 1.00 0.54 C ATOM 1373 CG LEU A2136 -9.137 2.085 -0.626 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.632 0.678 -0.880 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.334 2.821 -1.934 1.00 0.75 C ATOM 0 H LEU A2136 -9.225 3.300 1.864 1.00 0.41 H new ATOM 0 HA LEU A2136 -10.994 4.131 -0.210 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.317 1.427 1.038 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.223 1.627 -0.449 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.384 2.606 -0.034 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.702 0.722 -1.447 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.453 0.178 0.072 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.377 0.121 -1.448 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.398 2.826 -2.493 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -10.105 2.321 -2.521 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.641 3.847 -1.731 1.00 0.75 H new ATOM 1387 N THR A2137 -12.344 2.829 2.484 1.00 0.43 N ATOM 1388 CA THR A2137 -13.611 2.565 3.135 1.00 0.47 C ATOM 1389 C THR A2137 -14.182 3.823 3.773 1.00 0.54 C ATOM 1390 O THR A2137 -15.360 4.146 3.601 1.00 0.68 O ATOM 1391 CB THR A2137 -13.439 1.468 4.196 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.529 1.900 5.218 1.00 0.39 O ATOM 1393 CG2 THR A2137 -12.900 0.203 3.552 1.00 0.42 C ATOM 0 H THR A2137 -11.524 2.583 3.039 1.00 0.43 H new ATOM 0 HA THR A2137 -14.315 2.226 2.375 1.00 0.47 H new ATOM 0 HB THR A2137 -14.412 1.266 4.643 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.608 1.810 4.895 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.781 -0.570 4.312 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.598 -0.142 2.789 1.00 0.42 H new ATOM 0 HG23 THR A2137 -11.934 0.412 3.093 1.00 0.42 H new