USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A2077 HIS : no HD1:sc= -1.18 X(o=-1.5,f=-1.5) USER MOD Set 1.2: A2079 THR OG1 : rot 11:sc= -0.323 USER MOD Single : A2057 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2058 GLN : amide:sc= -0.0918 K(o=-0.092,f=-0.74) USER MOD Single : A2059 GLN : amide:sc= -0.28 K(o=-0.28,f=-3.4!) USER MOD Single : A2060 GLN :FLIP amide:sc= -1.12 F(o=-1.8,f=-1.1) USER MOD Single : A2061 GLN : amide:sc= -0.646 X(o=-0.65,f=-0.54) USER MOD Single : A2062 THR OG1 : rot 66:sc= 1.24 USER MOD Single : A2065 THR OG1 : rot 79:sc= 1.02 USER MOD Single : A2071 THR OG1 : rot -170:sc= -0.664 USER MOD Single : A2073 THR OG1 : rot 75:sc= 0.00229 USER MOD Single : A2078 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A2082 SER OG : rot -45:sc= 0.291 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 66:sc= 0.187 USER MOD Single : A2098 THR OG1 : rot -170:sc= 0.335 USER MOD Single : A2104 ASN : amide:sc= -1.32! C(o=-1.3!,f=-6.8!) USER MOD Single : A2105 THR OG1 : rot 71:sc= 0.0734 USER MOD Single : A2107 THR OG1 : rot -65:sc= 0.465 USER MOD Single : A2108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2109 ASN : amide:sc= 0.138 X(o=0.14,f=-0.3) USER MOD Single : A2110 THR OG1 : rot -85:sc= 0.503 USER MOD Single : A2117 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A2122 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2124 THR OG1 : rot 151:sc= -0.217 USER MOD Single : A2126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A2129 THR OG1 : rot 33:sc= 0.906 USER MOD Single : A2130 GLN : amide:sc= -0.522 K(o=-0.52,f=-2.9!) USER MOD Single : A2131 HIS : no HD1:sc= -0.0898 X(o=-0.09,f=0) USER MOD Single : A2133 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.28) USER MOD Single : A2134 THR OG1 : rot 70:sc= 1.23 USER MOD Single : A2137 THR OG1 : rot -98:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 150 N PRO A2056 -14.514 -6.445 4.073 1.00 0.67 N ATOM 151 CA PRO A2056 -13.393 -5.613 4.508 1.00 0.61 C ATOM 152 C PRO A2056 -12.040 -6.314 4.414 1.00 0.54 C ATOM 153 O PRO A2056 -11.094 -5.761 3.855 1.00 0.50 O ATOM 154 CB PRO A2056 -13.749 -5.322 5.957 1.00 0.71 C ATOM 155 CG PRO A2056 -15.239 -5.280 5.968 1.00 0.86 C ATOM 156 CD PRO A2056 -15.711 -6.220 4.895 1.00 0.81 C ATOM 0 HA PRO A2056 -13.272 -4.730 3.881 1.00 0.61 H new ATOM 0 HB2 PRO A2056 -13.368 -6.096 6.624 1.00 0.71 H new ATOM 0 HB3 PRO A2056 -13.322 -4.376 6.289 1.00 0.71 H new ATOM 0 HG2 PRO A2056 -15.626 -5.580 6.942 1.00 0.86 H new ATOM 0 HG3 PRO A2056 -15.598 -4.268 5.780 1.00 0.86 H new ATOM 0 HD2 PRO A2056 -16.087 -7.152 5.317 1.00 0.81 H new ATOM 0 HD3 PRO A2056 -16.521 -5.785 4.310 1.00 0.81 H new ATOM 164 N GLN A2057 -11.966 -7.538 4.927 1.00 0.58 N ATOM 165 CA GLN A2057 -10.722 -8.295 4.942 1.00 0.60 C ATOM 166 C GLN A2057 -10.238 -8.607 3.521 1.00 0.57 C ATOM 167 O GLN A2057 -9.037 -8.574 3.252 1.00 0.57 O ATOM 168 CB GLN A2057 -10.917 -9.583 5.738 1.00 0.71 C ATOM 169 CG GLN A2057 -9.623 -10.314 6.030 1.00 0.83 C ATOM 170 CD GLN A2057 -9.824 -11.501 6.946 1.00 1.19 C ATOM 171 OE1 GLN A2057 -9.748 -11.374 8.171 1.00 1.63 O ATOM 172 NE2 GLN A2057 -10.074 -12.662 6.365 1.00 1.95 N ATOM 0 H GLN A2057 -12.759 -8.028 5.340 1.00 0.58 H new ATOM 0 HA GLN A2057 -9.954 -7.687 5.421 1.00 0.60 H new ATOM 0 HB2 GLN A2057 -11.412 -9.347 6.680 1.00 0.71 H new ATOM 0 HB3 GLN A2057 -11.583 -10.246 5.185 1.00 0.71 H new ATOM 0 HG2 GLN A2057 -9.181 -10.653 5.093 1.00 0.83 H new ATOM 0 HG3 GLN A2057 -8.914 -9.623 6.486 1.00 0.83 H new ATOM 0 HE21 GLN A2057 -10.128 -12.722 5.348 1.00 1.95 H new ATOM 0 HE22 GLN A2057 -10.213 -13.497 6.934 1.00 1.95 H new ATOM 181 N GLN A2058 -11.176 -8.900 2.618 1.00 0.59 N ATOM 182 CA GLN A2058 -10.847 -9.106 1.207 1.00 0.64 C ATOM 183 C GLN A2058 -10.167 -7.870 0.658 1.00 0.57 C ATOM 184 O GLN A2058 -9.103 -7.941 0.046 1.00 0.59 O ATOM 185 CB GLN A2058 -12.103 -9.361 0.372 1.00 0.75 C ATOM 186 CG GLN A2058 -12.812 -10.667 0.662 1.00 0.83 C ATOM 187 CD GLN A2058 -11.917 -11.881 0.480 1.00 0.99 C ATOM 188 OE1 GLN A2058 -10.990 -11.872 -0.330 1.00 1.44 O ATOM 189 NE2 GLN A2058 -12.200 -12.939 1.221 1.00 1.60 N ATOM 0 H GLN A2058 -12.167 -9.000 2.838 1.00 0.59 H new ATOM 0 HA GLN A2058 -10.191 -9.975 1.146 1.00 0.64 H new ATOM 0 HB2 GLN A2058 -12.802 -8.541 0.536 1.00 0.75 H new ATOM 0 HB3 GLN A2058 -11.830 -9.340 -0.683 1.00 0.75 H new ATOM 0 HG2 GLN A2058 -13.189 -10.650 1.685 1.00 0.83 H new ATOM 0 HG3 GLN A2058 -13.677 -10.758 0.005 1.00 0.83 H new ATOM 0 HE21 GLN A2058 -12.977 -12.906 1.881 1.00 1.60 H new ATOM 0 HE22 GLN A2058 -11.641 -13.788 1.133 1.00 1.60 H new ATOM 198 N GLN A2059 -10.816 -6.739 0.885 1.00 0.54 N ATOM 199 CA GLN A2059 -10.300 -5.444 0.487 1.00 0.52 C ATOM 200 C GLN A2059 -8.908 -5.212 1.044 1.00 0.47 C ATOM 201 O GLN A2059 -8.010 -4.772 0.330 1.00 0.49 O ATOM 202 CB GLN A2059 -11.252 -4.367 0.978 1.00 0.57 C ATOM 203 CG GLN A2059 -12.286 -3.972 -0.049 1.00 0.72 C ATOM 204 CD GLN A2059 -11.717 -3.070 -1.126 1.00 1.02 C ATOM 205 OE1 GLN A2059 -10.568 -3.220 -1.540 1.00 1.50 O ATOM 206 NE2 GLN A2059 -12.491 -2.082 -1.535 1.00 1.19 N ATOM 0 H GLN A2059 -11.721 -6.696 1.354 1.00 0.54 H new ATOM 0 HA GLN A2059 -10.227 -5.409 -0.600 1.00 0.52 H new ATOM 0 HB2 GLN A2059 -11.758 -4.721 1.876 1.00 0.57 H new ATOM 0 HB3 GLN A2059 -10.677 -3.486 1.263 1.00 0.57 H new ATOM 0 HG2 GLN A2059 -12.697 -4.870 -0.511 1.00 0.72 H new ATOM 0 HG3 GLN A2059 -13.112 -3.463 0.448 1.00 0.72 H new ATOM 0 HE21 GLN A2059 -13.438 -1.991 -1.168 1.00 1.19 H new ATOM 0 HE22 GLN A2059 -12.142 -1.410 -2.218 1.00 1.19 H new ATOM 215 N GLN A2060 -8.737 -5.512 2.322 1.00 0.44 N ATOM 216 CA GLN A2060 -7.432 -5.395 2.959 1.00 0.42 C ATOM 217 C GLN A2060 -6.411 -6.220 2.218 1.00 0.39 C ATOM 218 O GLN A2060 -5.450 -5.681 1.728 1.00 0.37 O ATOM 219 CB GLN A2060 -7.475 -5.857 4.416 1.00 0.45 C ATOM 220 CG GLN A2060 -8.552 -5.189 5.239 1.00 0.50 C ATOM 221 CD GLN A2060 -8.731 -5.817 6.608 1.00 0.60 C ATOM 222 OE1 GLN A2060 -7.665 -6.379 7.153 1.00 0.78 O flip ATOM 223 NE2 GLN A2060 -9.826 -5.798 7.171 1.00 0.95 N flip ATOM 0 H GLN A2060 -9.482 -5.837 2.938 1.00 0.44 H new ATOM 0 HA GLN A2060 -7.153 -4.342 2.932 1.00 0.42 H new ATOM 0 HB2 GLN A2060 -7.629 -6.936 4.440 1.00 0.45 H new ATOM 0 HB3 GLN A2060 -6.507 -5.663 4.877 1.00 0.45 H new ATOM 0 HG2 GLN A2060 -8.307 -4.134 5.359 1.00 0.50 H new ATOM 0 HG3 GLN A2060 -9.497 -5.237 4.698 1.00 0.50 H new ATOM 0 HE21 GLN A2060 -10.625 -5.354 6.718 1.00 0.95 H new ATOM 0 HE22 GLN A2060 -9.934 -6.226 8.091 1.00 0.95 H new ATOM 232 N GLN A2061 -6.631 -7.520 2.131 1.00 0.41 N ATOM 233 CA GLN A2061 -5.704 -8.408 1.436 1.00 0.42 C ATOM 234 C GLN A2061 -5.440 -7.946 0.007 1.00 0.43 C ATOM 235 O GLN A2061 -4.335 -8.095 -0.508 1.00 0.41 O ATOM 236 CB GLN A2061 -6.250 -9.815 1.443 1.00 0.51 C ATOM 237 CG GLN A2061 -6.270 -10.409 2.834 1.00 0.56 C ATOM 238 CD GLN A2061 -6.902 -11.784 2.888 1.00 0.67 C ATOM 239 OE1 GLN A2061 -6.877 -12.532 1.912 1.00 1.03 O ATOM 240 NE2 GLN A2061 -7.449 -12.135 4.039 1.00 1.32 N ATOM 0 H GLN A2061 -7.443 -7.989 2.532 1.00 0.41 H new ATOM 0 HA GLN A2061 -4.751 -8.384 1.964 1.00 0.42 H new ATOM 0 HB2 GLN A2061 -7.261 -9.813 1.035 1.00 0.51 H new ATOM 0 HB3 GLN A2061 -5.644 -10.442 0.790 1.00 0.51 H new ATOM 0 HG2 GLN A2061 -5.249 -10.471 3.210 1.00 0.56 H new ATOM 0 HG3 GLN A2061 -6.815 -9.740 3.500 1.00 0.56 H new ATOM 0 HE21 GLN A2061 -7.448 -11.483 4.824 1.00 1.32 H new ATOM 0 HE22 GLN A2061 -7.872 -13.057 4.142 1.00 1.32 H new ATOM 249 N THR A2062 -6.463 -7.393 -0.617 1.00 0.49 N ATOM 250 CA THR A2062 -6.320 -6.746 -1.916 1.00 0.55 C ATOM 251 C THR A2062 -5.224 -5.683 -1.881 1.00 0.49 C ATOM 252 O THR A2062 -4.267 -5.726 -2.656 1.00 0.48 O ATOM 253 CB THR A2062 -7.632 -6.072 -2.348 1.00 0.66 C ATOM 254 OG1 THR A2062 -8.676 -7.049 -2.451 1.00 0.73 O ATOM 255 CG2 THR A2062 -7.448 -5.357 -3.679 1.00 0.77 C ATOM 0 H THR A2062 -7.412 -7.377 -0.244 1.00 0.49 H new ATOM 0 HA THR A2062 -6.056 -7.526 -2.630 1.00 0.55 H new ATOM 0 HB THR A2062 -7.911 -5.335 -1.594 1.00 0.66 H new ATOM 0 HG1 THR A2062 -8.873 -7.412 -1.562 1.00 0.73 H new ATOM 0 HG21 THR A2062 -8.386 -4.885 -3.971 1.00 0.77 H new ATOM 0 HG22 THR A2062 -6.674 -4.596 -3.579 1.00 0.77 H new ATOM 0 HG23 THR A2062 -7.152 -6.078 -4.441 1.00 0.77 H new ATOM 263 N LEU A2063 -5.357 -4.751 -0.952 1.00 0.50 N ATOM 264 CA LEU A2063 -4.455 -3.628 -0.857 1.00 0.53 C ATOM 265 C LEU A2063 -3.183 -4.051 -0.143 1.00 0.44 C ATOM 266 O LEU A2063 -2.136 -3.428 -0.270 1.00 0.47 O ATOM 267 CB LEU A2063 -5.162 -2.485 -0.130 1.00 0.69 C ATOM 268 CG LEU A2063 -5.678 -2.787 1.269 1.00 0.64 C ATOM 269 CD1 LEU A2063 -4.634 -2.457 2.312 1.00 1.32 C ATOM 270 CD2 LEU A2063 -6.962 -2.021 1.527 1.00 1.22 C ATOM 0 H LEU A2063 -6.093 -4.756 -0.246 1.00 0.50 H new ATOM 0 HA LEU A2063 -4.173 -3.280 -1.851 1.00 0.53 H new ATOM 0 HB2 LEU A2063 -4.472 -1.644 -0.065 1.00 0.69 H new ATOM 0 HB3 LEU A2063 -6.004 -2.161 -0.742 1.00 0.69 H new ATOM 0 HG LEU A2063 -5.890 -3.854 1.338 1.00 0.64 H new ATOM 0 HD11 LEU A2063 -5.027 -2.682 3.304 1.00 1.32 H new ATOM 0 HD12 LEU A2063 -3.739 -3.053 2.133 1.00 1.32 H new ATOM 0 HD13 LEU A2063 -4.382 -1.398 2.253 1.00 1.32 H new ATOM 0 HD21 LEU A2063 -7.323 -2.244 2.531 1.00 1.22 H new ATOM 0 HD22 LEU A2063 -6.771 -0.951 1.439 1.00 1.22 H new ATOM 0 HD23 LEU A2063 -7.715 -2.317 0.796 1.00 1.22 H new ATOM 282 N ALA A2064 -3.307 -5.139 0.582 1.00 0.39 N ATOM 283 CA ALA A2064 -2.212 -5.753 1.298 1.00 0.38 C ATOM 284 C ALA A2064 -1.236 -6.329 0.289 1.00 0.37 C ATOM 285 O ALA A2064 -0.024 -6.121 0.362 1.00 0.51 O ATOM 286 CB ALA A2064 -2.759 -6.846 2.206 1.00 0.38 C ATOM 0 H ALA A2064 -4.192 -5.633 0.693 1.00 0.39 H new ATOM 0 HA ALA A2064 -1.694 -5.018 1.914 1.00 0.38 H new ATOM 0 HB1 ALA A2064 -1.937 -7.313 2.749 1.00 0.38 H new ATOM 0 HB2 ALA A2064 -3.462 -6.411 2.916 1.00 0.38 H new ATOM 0 HB3 ALA A2064 -3.270 -7.598 1.604 1.00 0.38 H new ATOM 292 N THR A2065 -1.811 -7.036 -0.674 1.00 0.28 N ATOM 293 CA THR A2065 -1.082 -7.575 -1.803 1.00 0.28 C ATOM 294 C THR A2065 -0.567 -6.443 -2.691 1.00 0.27 C ATOM 295 O THR A2065 0.538 -6.515 -3.230 1.00 0.25 O ATOM 296 CB THR A2065 -1.999 -8.506 -2.618 1.00 0.36 C ATOM 297 OG1 THR A2065 -2.424 -9.610 -1.801 1.00 0.40 O ATOM 298 CG2 THR A2065 -1.300 -9.030 -3.865 1.00 0.41 C ATOM 0 H THR A2065 -2.808 -7.251 -0.689 1.00 0.28 H new ATOM 0 HA THR A2065 -0.229 -8.144 -1.433 1.00 0.28 H new ATOM 0 HB THR A2065 -2.866 -7.926 -2.936 1.00 0.36 H new ATOM 0 HG1 THR A2065 -3.146 -9.318 -1.207 1.00 0.40 H new ATOM 0 HG21 THR A2065 -1.978 -9.683 -4.415 1.00 0.41 H new ATOM 0 HG22 THR A2065 -1.010 -8.192 -4.499 1.00 0.41 H new ATOM 0 HG23 THR A2065 -0.411 -9.590 -3.575 1.00 0.41 H new ATOM 306 N LEU A2066 -1.375 -5.391 -2.817 1.00 0.29 N ATOM 307 CA LEU A2066 -1.006 -4.211 -3.579 1.00 0.28 C ATOM 308 C LEU A2066 0.275 -3.628 -3.004 1.00 0.23 C ATOM 309 O LEU A2066 1.279 -3.492 -3.701 1.00 0.22 O ATOM 310 CB LEU A2066 -2.130 -3.180 -3.481 1.00 0.32 C ATOM 311 CG LEU A2066 -2.194 -2.102 -4.568 1.00 0.57 C ATOM 312 CD1 LEU A2066 -2.660 -0.795 -3.955 1.00 0.92 C ATOM 313 CD2 LEU A2066 -0.866 -1.909 -5.289 1.00 1.35 C ATOM 0 H LEU A2066 -2.301 -5.338 -2.392 1.00 0.29 H new ATOM 0 HA LEU A2066 -0.847 -4.476 -4.624 1.00 0.28 H new ATOM 0 HB2 LEU A2066 -3.079 -3.716 -3.481 1.00 0.32 H new ATOM 0 HB3 LEU A2066 -2.046 -2.681 -2.516 1.00 0.32 H new ATOM 0 HG LEU A2066 -2.907 -2.437 -5.321 1.00 0.57 H new ATOM 0 HD11 LEU A2066 -2.706 -0.027 -4.727 1.00 0.92 H new ATOM 0 HD12 LEU A2066 -3.649 -0.930 -3.518 1.00 0.92 H new ATOM 0 HD13 LEU A2066 -1.960 -0.487 -3.178 1.00 0.92 H new ATOM 0 HD21 LEU A2066 -0.973 -1.133 -6.047 1.00 1.35 H new ATOM 0 HD22 LEU A2066 -0.102 -1.611 -4.571 1.00 1.35 H new ATOM 0 HD23 LEU A2066 -0.571 -2.844 -5.766 1.00 1.35 H new ATOM 325 N VAL A2067 0.219 -3.302 -1.722 1.00 0.21 N ATOM 326 CA VAL A2067 1.348 -2.722 -1.024 1.00 0.18 C ATOM 327 C VAL A2067 2.591 -3.591 -1.180 1.00 0.16 C ATOM 328 O VAL A2067 3.674 -3.104 -1.506 1.00 0.17 O ATOM 329 CB VAL A2067 1.035 -2.547 0.476 1.00 0.19 C ATOM 330 CG1 VAL A2067 2.289 -2.188 1.254 1.00 0.20 C ATOM 331 CG2 VAL A2067 -0.032 -1.484 0.684 1.00 0.22 C ATOM 0 H VAL A2067 -0.609 -3.433 -1.141 1.00 0.21 H new ATOM 0 HA VAL A2067 1.539 -1.745 -1.467 1.00 0.18 H new ATOM 0 HB VAL A2067 0.657 -3.498 0.850 1.00 0.19 H new ATOM 0 HG11 VAL A2067 2.041 -2.070 2.309 1.00 0.20 H new ATOM 0 HG12 VAL A2067 3.027 -2.982 1.141 1.00 0.20 H new ATOM 0 HG13 VAL A2067 2.700 -1.254 0.871 1.00 0.20 H new ATOM 0 HG21 VAL A2067 -0.237 -1.378 1.749 1.00 0.22 H new ATOM 0 HG22 VAL A2067 0.320 -0.532 0.285 1.00 0.22 H new ATOM 0 HG23 VAL A2067 -0.945 -1.779 0.167 1.00 0.22 H new ATOM 341 N ALA A2068 2.408 -4.879 -0.952 1.00 0.15 N ATOM 342 CA ALA A2068 3.479 -5.849 -1.057 1.00 0.15 C ATOM 343 C ALA A2068 4.095 -5.867 -2.455 1.00 0.14 C ATOM 344 O ALA A2068 5.307 -5.757 -2.594 1.00 0.13 O ATOM 345 CB ALA A2068 2.946 -7.214 -0.672 1.00 0.17 C ATOM 0 H ALA A2068 1.509 -5.281 -0.688 1.00 0.15 H new ATOM 0 HA ALA A2068 4.279 -5.566 -0.373 1.00 0.15 H new ATOM 0 HB1 ALA A2068 3.745 -7.951 -0.748 1.00 0.17 H new ATOM 0 HB2 ALA A2068 2.576 -7.184 0.353 1.00 0.17 H new ATOM 0 HB3 ALA A2068 2.133 -7.490 -1.344 1.00 0.17 H new ATOM 351 N ALA A2069 3.263 -5.998 -3.484 1.00 0.17 N ATOM 352 CA ALA A2069 3.735 -5.980 -4.866 1.00 0.18 C ATOM 353 C ALA A2069 4.391 -4.649 -5.204 1.00 0.19 C ATOM 354 O ALA A2069 5.351 -4.592 -5.975 1.00 0.21 O ATOM 355 CB ALA A2069 2.587 -6.258 -5.825 1.00 0.23 C ATOM 0 H ALA A2069 2.255 -6.118 -3.387 1.00 0.17 H new ATOM 0 HA ALA A2069 4.483 -6.766 -4.975 1.00 0.18 H new ATOM 0 HB1 ALA A2069 2.957 -6.241 -6.850 1.00 0.23 H new ATOM 0 HB2 ALA A2069 2.162 -7.238 -5.609 1.00 0.23 H new ATOM 0 HB3 ALA A2069 1.819 -5.495 -5.704 1.00 0.23 H new ATOM 361 N ALA A2070 3.877 -3.583 -4.605 1.00 0.19 N ATOM 362 CA ALA A2070 4.413 -2.256 -4.821 1.00 0.21 C ATOM 363 C ALA A2070 5.835 -2.183 -4.309 1.00 0.20 C ATOM 364 O ALA A2070 6.739 -1.713 -5.006 1.00 0.23 O ATOM 365 CB ALA A2070 3.552 -1.215 -4.127 1.00 0.24 C ATOM 0 H ALA A2070 3.085 -3.618 -3.963 1.00 0.19 H new ATOM 0 HA ALA A2070 4.410 -2.048 -5.891 1.00 0.21 H new ATOM 0 HB1 ALA A2070 3.970 -0.223 -4.300 1.00 0.24 H new ATOM 0 HB2 ALA A2070 2.538 -1.256 -4.526 1.00 0.24 H new ATOM 0 HB3 ALA A2070 3.529 -1.417 -3.056 1.00 0.24 H new ATOM 371 N THR A2071 6.050 -2.679 -3.098 1.00 0.18 N ATOM 372 CA THR A2071 7.344 -2.541 -2.481 1.00 0.21 C ATOM 373 C THR A2071 8.261 -3.654 -2.919 1.00 0.21 C ATOM 374 O THR A2071 9.470 -3.506 -2.911 1.00 0.27 O ATOM 375 CB THR A2071 7.265 -2.455 -0.955 1.00 0.22 C ATOM 376 OG1 THR A2071 8.561 -2.294 -0.385 1.00 0.28 O ATOM 377 CG2 THR A2071 6.589 -3.669 -0.359 1.00 0.23 C ATOM 0 H THR A2071 5.353 -3.171 -2.539 1.00 0.18 H new ATOM 0 HA THR A2071 7.761 -1.592 -2.820 1.00 0.21 H new ATOM 0 HB THR A2071 6.662 -1.579 -0.717 1.00 0.22 H new ATOM 0 HG1 THR A2071 8.506 -2.400 0.588 1.00 0.28 H new ATOM 0 HG21 THR A2071 6.553 -3.569 0.726 1.00 0.23 H new ATOM 0 HG22 THR A2071 5.575 -3.749 -0.750 1.00 0.23 H new ATOM 0 HG23 THR A2071 7.151 -4.565 -0.622 1.00 0.23 H new ATOM 385 N ALA A2072 7.683 -4.757 -3.340 1.00 0.18 N ATOM 386 CA ALA A2072 8.461 -5.832 -3.915 1.00 0.22 C ATOM 387 C ALA A2072 9.265 -5.307 -5.101 1.00 0.26 C ATOM 388 O ALA A2072 10.428 -5.646 -5.271 1.00 0.31 O ATOM 389 CB ALA A2072 7.557 -6.983 -4.316 1.00 0.22 C ATOM 0 H ALA A2072 6.679 -4.933 -3.295 1.00 0.18 H new ATOM 0 HA ALA A2072 9.162 -6.212 -3.171 1.00 0.22 H new ATOM 0 HB1 ALA A2072 8.157 -7.784 -4.747 1.00 0.22 H new ATOM 0 HB2 ALA A2072 7.031 -7.356 -3.437 1.00 0.22 H new ATOM 0 HB3 ALA A2072 6.832 -6.637 -5.052 1.00 0.22 H new ATOM 395 N THR A2073 8.664 -4.447 -5.898 1.00 0.27 N ATOM 396 CA THR A2073 9.391 -3.789 -6.966 1.00 0.34 C ATOM 397 C THR A2073 10.386 -2.784 -6.387 1.00 0.37 C ATOM 398 O THR A2073 11.533 -2.693 -6.819 1.00 0.43 O ATOM 399 CB THR A2073 8.426 -3.061 -7.914 1.00 0.38 C ATOM 400 OG1 THR A2073 7.492 -3.993 -8.476 1.00 0.40 O ATOM 401 CG2 THR A2073 9.190 -2.362 -9.021 1.00 0.46 C ATOM 0 H THR A2073 7.680 -4.188 -5.828 1.00 0.27 H new ATOM 0 HA THR A2073 9.930 -4.552 -7.527 1.00 0.34 H new ATOM 0 HB THR A2073 7.881 -2.310 -7.342 1.00 0.38 H new ATOM 0 HG1 THR A2073 6.829 -4.241 -7.798 1.00 0.40 H new ATOM 0 HG21 THR A2073 8.489 -1.852 -9.682 1.00 0.46 H new ATOM 0 HG22 THR A2073 9.874 -1.633 -8.587 1.00 0.46 H new ATOM 0 HG23 THR A2073 9.757 -3.097 -9.592 1.00 0.46 H new ATOM 409 N VAL A2074 9.934 -2.060 -5.381 1.00 0.36 N ATOM 410 CA VAL A2074 10.698 -0.996 -4.771 1.00 0.41 C ATOM 411 C VAL A2074 11.957 -1.497 -4.035 1.00 0.47 C ATOM 412 O VAL A2074 13.005 -0.852 -4.080 1.00 0.56 O ATOM 413 CB VAL A2074 9.759 -0.245 -3.821 1.00 0.38 C ATOM 414 CG1 VAL A2074 10.366 -0.005 -2.454 1.00 0.38 C ATOM 415 CG2 VAL A2074 9.276 1.047 -4.451 1.00 0.37 C ATOM 0 H VAL A2074 9.015 -2.198 -4.962 1.00 0.36 H new ATOM 0 HA VAL A2074 11.074 -0.335 -5.552 1.00 0.41 H new ATOM 0 HB VAL A2074 8.897 -0.891 -3.656 1.00 0.38 H new ATOM 0 HG11 VAL A2074 9.652 0.531 -1.828 1.00 0.38 H new ATOM 0 HG12 VAL A2074 10.609 -0.961 -1.991 1.00 0.38 H new ATOM 0 HG13 VAL A2074 11.274 0.589 -2.558 1.00 0.38 H new ATOM 0 HG21 VAL A2074 8.611 1.563 -3.759 1.00 0.37 H new ATOM 0 HG22 VAL A2074 10.131 1.684 -4.676 1.00 0.37 H new ATOM 0 HG23 VAL A2074 8.738 0.824 -5.372 1.00 0.37 H new ATOM 425 N LEU A2075 11.857 -2.645 -3.368 1.00 0.43 N ATOM 426 CA LEU A2075 12.950 -3.161 -2.552 1.00 0.52 C ATOM 427 C LEU A2075 14.016 -3.854 -3.399 1.00 0.60 C ATOM 428 O LEU A2075 15.110 -4.139 -2.909 1.00 0.74 O ATOM 429 CB LEU A2075 12.403 -4.139 -1.510 1.00 0.49 C ATOM 430 CG LEU A2075 11.205 -3.635 -0.702 1.00 0.44 C ATOM 431 CD1 LEU A2075 10.601 -4.763 0.108 1.00 0.46 C ATOM 432 CD2 LEU A2075 11.582 -2.471 0.200 1.00 0.52 C ATOM 0 H LEU A2075 11.026 -3.236 -3.378 1.00 0.43 H new ATOM 0 HA LEU A2075 13.420 -2.312 -2.055 1.00 0.52 H new ATOM 0 HB2 LEU A2075 12.116 -5.060 -2.017 1.00 0.49 H new ATOM 0 HB3 LEU A2075 13.206 -4.393 -0.818 1.00 0.49 H new ATOM 0 HG LEU A2075 10.460 -3.271 -1.410 1.00 0.44 H new ATOM 0 HD11 LEU A2075 9.750 -4.388 0.677 1.00 0.46 H new ATOM 0 HD12 LEU A2075 10.268 -5.555 -0.563 1.00 0.46 H new ATOM 0 HD13 LEU A2075 11.349 -5.160 0.794 1.00 0.46 H new ATOM 0 HD21 LEU A2075 10.704 -2.143 0.756 1.00 0.52 H new ATOM 0 HD22 LEU A2075 12.357 -2.788 0.898 1.00 0.52 H new ATOM 0 HD23 LEU A2075 11.956 -1.647 -0.407 1.00 0.52 H new ATOM 444 N GLY A2076 13.707 -4.100 -4.672 1.00 0.57 N ATOM 445 CA GLY A2076 14.550 -4.971 -5.476 1.00 0.67 C ATOM 446 C GLY A2076 14.336 -6.388 -5.019 1.00 0.65 C ATOM 447 O GLY A2076 15.176 -6.970 -4.331 1.00 0.93 O ATOM 0 H GLY A2076 12.896 -3.716 -5.157 1.00 0.57 H new ATOM 0 HA2 GLY A2076 14.301 -4.871 -6.532 1.00 0.67 H new ATOM 0 HA3 GLY A2076 15.598 -4.691 -5.368 1.00 0.67 H new ATOM 451 N HIS A2077 13.195 -6.937 -5.390 1.00 0.51 N ATOM 452 CA HIS A2077 12.599 -8.005 -4.614 1.00 0.66 C ATOM 453 C HIS A2077 11.606 -8.814 -5.458 1.00 0.68 C ATOM 454 O HIS A2077 11.618 -10.041 -5.450 1.00 0.97 O ATOM 455 CB HIS A2077 11.896 -7.305 -3.454 1.00 0.81 C ATOM 456 CG HIS A2077 11.449 -8.146 -2.322 1.00 0.50 C ATOM 457 ND1 HIS A2077 10.454 -9.081 -2.422 1.00 0.54 N ATOM 458 CD2 HIS A2077 11.816 -8.112 -1.026 1.00 0.74 C ATOM 459 CE1 HIS A2077 10.216 -9.587 -1.236 1.00 0.61 C ATOM 460 NE2 HIS A2077 11.034 -9.024 -0.364 1.00 0.80 N ATOM 0 H HIS A2077 12.666 -6.663 -6.218 1.00 0.51 H new ATOM 0 HA HIS A2077 13.344 -8.720 -4.265 1.00 0.66 H new ATOM 0 HB2 HIS A2077 12.570 -6.543 -3.062 1.00 0.81 H new ATOM 0 HB3 HIS A2077 11.025 -6.785 -3.852 1.00 0.81 H new ATOM 0 HD2 HIS A2077 12.581 -7.486 -0.591 1.00 0.74 H new ATOM 0 HE1 HIS A2077 9.475 -10.339 -1.009 1.00 0.61 H new ATOM 0 HE2 HIS A2077 11.077 -9.233 0.634 1.00 0.80 H new ATOM 469 N HIS A2078 10.742 -8.087 -6.163 1.00 0.62 N ATOM 470 CA HIS A2078 9.756 -8.646 -7.099 1.00 0.69 C ATOM 471 C HIS A2078 8.619 -9.409 -6.422 1.00 0.80 C ATOM 472 O HIS A2078 7.455 -9.163 -6.732 1.00 1.56 O ATOM 473 CB HIS A2078 10.414 -9.502 -8.181 1.00 0.81 C ATOM 474 CG HIS A2078 11.022 -8.675 -9.268 1.00 0.88 C ATOM 475 ND1 HIS A2078 10.273 -7.866 -10.097 1.00 0.93 N ATOM 476 CD2 HIS A2078 12.312 -8.490 -9.633 1.00 0.96 C ATOM 477 CE1 HIS A2078 11.075 -7.216 -10.917 1.00 1.03 C ATOM 478 NE2 HIS A2078 12.318 -7.578 -10.658 1.00 1.05 N ATOM 0 H HIS A2078 10.703 -7.070 -6.102 1.00 0.62 H new ATOM 0 HA HIS A2078 9.300 -7.778 -7.575 1.00 0.69 H new ATOM 0 HB2 HIS A2078 11.184 -10.126 -7.729 1.00 0.81 H new ATOM 0 HB3 HIS A2078 9.671 -10.174 -8.611 1.00 0.81 H new ATOM 0 HD2 HIS A2078 13.176 -8.971 -9.198 1.00 0.96 H new ATOM 0 HE1 HIS A2078 10.768 -6.508 -11.672 1.00 1.03 H new ATOM 0 HE2 HIS A2078 13.148 -7.235 -11.142 1.00 1.05 H new ATOM 487 N THR A2079 8.926 -10.327 -5.517 1.00 0.64 N ATOM 488 CA THR A2079 7.874 -11.090 -4.864 1.00 0.67 C ATOM 489 C THR A2079 7.130 -10.278 -3.812 1.00 0.44 C ATOM 490 O THR A2079 7.734 -9.739 -2.888 1.00 0.54 O ATOM 491 CB THR A2079 8.383 -12.337 -4.165 1.00 1.02 C ATOM 492 OG1 THR A2079 9.552 -12.035 -3.392 1.00 1.82 O ATOM 493 CG2 THR A2079 8.666 -13.455 -5.139 1.00 0.59 C ATOM 0 H THR A2079 9.875 -10.558 -5.223 1.00 0.64 H new ATOM 0 HA THR A2079 7.209 -11.365 -5.683 1.00 0.67 H new ATOM 0 HB THR A2079 7.595 -12.682 -3.496 1.00 1.02 H new ATOM 0 HG1 THR A2079 9.668 -11.063 -3.341 1.00 1.82 H new ATOM 0 HG21 THR A2079 9.028 -14.328 -4.596 1.00 0.59 H new ATOM 0 HG22 THR A2079 7.751 -13.713 -5.672 1.00 0.59 H new ATOM 0 HG23 THR A2079 9.423 -13.132 -5.853 1.00 0.59 H new ATOM 501 N PRO A2080 5.807 -10.198 -3.932 1.00 0.29 N ATOM 502 CA PRO A2080 4.941 -9.575 -2.940 1.00 0.32 C ATOM 503 C PRO A2080 4.619 -10.551 -1.817 1.00 0.45 C ATOM 504 O PRO A2080 4.305 -10.163 -0.695 1.00 0.51 O ATOM 505 CB PRO A2080 3.672 -9.238 -3.745 1.00 0.39 C ATOM 506 CG PRO A2080 4.007 -9.573 -5.164 1.00 0.39 C ATOM 507 CD PRO A2080 5.034 -10.660 -5.071 1.00 0.32 C ATOM 0 HA PRO A2080 5.392 -8.705 -2.463 1.00 0.32 H new ATOM 0 HB2 PRO A2080 2.818 -9.818 -3.395 1.00 0.39 H new ATOM 0 HB3 PRO A2080 3.407 -8.186 -3.641 1.00 0.39 H new ATOM 0 HG2 PRO A2080 3.125 -9.908 -5.710 1.00 0.39 H new ATOM 0 HG3 PRO A2080 4.398 -8.704 -5.693 1.00 0.39 H new ATOM 0 HD2 PRO A2080 4.587 -11.639 -4.899 1.00 0.32 H new ATOM 0 HD3 PRO A2080 5.636 -10.740 -5.976 1.00 0.32 H new ATOM 515 N GLU A2081 4.738 -11.830 -2.138 1.00 0.53 N ATOM 516 CA GLU A2081 4.456 -12.897 -1.198 1.00 0.64 C ATOM 517 C GLU A2081 5.566 -13.011 -0.164 1.00 0.56 C ATOM 518 O GLU A2081 5.368 -13.555 0.920 1.00 0.70 O ATOM 519 CB GLU A2081 4.300 -14.218 -1.950 1.00 0.84 C ATOM 520 CG GLU A2081 5.490 -14.553 -2.832 1.00 0.93 C ATOM 521 CD GLU A2081 5.289 -15.823 -3.619 1.00 1.28 C ATOM 522 OE1 GLU A2081 4.911 -15.737 -4.805 1.00 1.54 O ATOM 523 OE2 GLU A2081 5.509 -16.913 -3.058 1.00 1.45 O ATOM 0 H GLU A2081 5.033 -12.155 -3.059 1.00 0.53 H new ATOM 0 HA GLU A2081 3.527 -12.667 -0.677 1.00 0.64 H new ATOM 0 HB2 GLU A2081 4.153 -15.023 -1.230 1.00 0.84 H new ATOM 0 HB3 GLU A2081 3.402 -14.173 -2.566 1.00 0.84 H new ATOM 0 HG2 GLU A2081 5.671 -13.728 -3.521 1.00 0.93 H new ATOM 0 HG3 GLU A2081 6.381 -14.651 -2.212 1.00 0.93 H new ATOM 530 N SER A2082 6.735 -12.482 -0.498 1.00 0.43 N ATOM 531 CA SER A2082 7.873 -12.551 0.401 1.00 0.43 C ATOM 532 C SER A2082 8.071 -11.202 1.094 1.00 0.33 C ATOM 533 O SER A2082 9.157 -10.870 1.568 1.00 0.38 O ATOM 534 CB SER A2082 9.118 -12.981 -0.370 1.00 0.54 C ATOM 535 OG SER A2082 10.187 -13.310 0.499 1.00 0.63 O ATOM 0 H SER A2082 6.917 -12.003 -1.380 1.00 0.43 H new ATOM 0 HA SER A2082 7.687 -13.297 1.174 1.00 0.43 H new ATOM 0 HB2 SER A2082 8.879 -13.842 -0.995 1.00 0.54 H new ATOM 0 HB3 SER A2082 9.427 -12.178 -1.039 1.00 0.54 H new ATOM 0 HG SER A2082 10.265 -12.625 1.196 1.00 0.63 H new ATOM 541 N ILE A2083 7.000 -10.425 1.133 1.00 0.25 N ATOM 542 CA ILE A2083 7.000 -9.128 1.794 1.00 0.17 C ATOM 543 C ILE A2083 6.466 -9.273 3.212 1.00 0.15 C ATOM 544 O ILE A2083 5.268 -9.482 3.407 1.00 0.22 O ATOM 545 CB ILE A2083 6.120 -8.118 1.023 1.00 0.13 C ATOM 546 CG1 ILE A2083 6.591 -8.010 -0.428 1.00 0.18 C ATOM 547 CG2 ILE A2083 6.129 -6.746 1.692 1.00 0.12 C ATOM 548 CD1 ILE A2083 7.850 -7.199 -0.614 1.00 0.22 C ATOM 0 H ILE A2083 6.107 -10.675 0.708 1.00 0.25 H new ATOM 0 HA ILE A2083 8.025 -8.757 1.818 1.00 0.17 H new ATOM 0 HB ILE A2083 5.094 -8.485 1.037 1.00 0.13 H new ATOM 0 HG12 ILE A2083 6.758 -9.014 -0.819 1.00 0.18 H new ATOM 0 HG13 ILE A2083 5.795 -7.564 -1.024 1.00 0.18 H new ATOM 0 HG21 ILE A2083 5.500 -6.060 1.124 1.00 0.12 H new ATOM 0 HG22 ILE A2083 5.744 -6.834 2.708 1.00 0.12 H new ATOM 0 HG23 ILE A2083 7.149 -6.363 1.722 1.00 0.12 H new ATOM 0 HD11 ILE A2083 8.113 -7.173 -1.671 1.00 0.22 H new ATOM 0 HD12 ILE A2083 7.684 -6.183 -0.257 1.00 0.22 H new ATOM 0 HD13 ILE A2083 8.663 -7.654 -0.048 1.00 0.22 H new ATOM 560 N SER A2084 7.356 -9.193 4.193 1.00 0.14 N ATOM 561 CA SER A2084 6.958 -9.289 5.590 1.00 0.14 C ATOM 562 C SER A2084 6.293 -7.996 6.048 1.00 0.12 C ATOM 563 O SER A2084 6.939 -6.954 6.132 1.00 0.12 O ATOM 564 CB SER A2084 8.169 -9.599 6.470 1.00 0.19 C ATOM 565 OG SER A2084 8.713 -10.869 6.150 1.00 0.28 O ATOM 0 H SER A2084 8.357 -9.062 4.047 1.00 0.14 H new ATOM 0 HA SER A2084 6.239 -10.102 5.686 1.00 0.14 H new ATOM 0 HB2 SER A2084 8.928 -8.829 6.335 1.00 0.19 H new ATOM 0 HB3 SER A2084 7.876 -9.578 7.520 1.00 0.19 H new ATOM 0 HG SER A2084 9.488 -11.047 6.723 1.00 0.28 H new ATOM 571 N PRO A2085 4.987 -8.054 6.352 1.00 0.12 N ATOM 572 CA PRO A2085 4.222 -6.879 6.765 1.00 0.12 C ATOM 573 C PRO A2085 4.647 -6.354 8.118 1.00 0.12 C ATOM 574 O PRO A2085 4.469 -5.176 8.421 1.00 0.13 O ATOM 575 CB PRO A2085 2.780 -7.372 6.841 1.00 0.15 C ATOM 576 CG PRO A2085 2.868 -8.856 6.948 1.00 0.15 C ATOM 577 CD PRO A2085 4.159 -9.270 6.304 1.00 0.14 C ATOM 0 HA PRO A2085 4.370 -6.056 6.066 1.00 0.12 H new ATOM 0 HB2 PRO A2085 2.265 -6.947 7.703 1.00 0.15 H new ATOM 0 HB3 PRO A2085 2.217 -7.076 5.956 1.00 0.15 H new ATOM 0 HG2 PRO A2085 2.841 -9.169 7.992 1.00 0.15 H new ATOM 0 HG3 PRO A2085 2.021 -9.329 6.451 1.00 0.15 H new ATOM 0 HD2 PRO A2085 4.628 -10.094 6.843 1.00 0.14 H new ATOM 0 HD3 PRO A2085 4.004 -9.607 5.279 1.00 0.14 H new ATOM 585 N ALA A2086 5.186 -7.243 8.931 1.00 0.11 N ATOM 586 CA ALA A2086 5.606 -6.881 10.272 1.00 0.12 C ATOM 587 C ALA A2086 6.909 -6.087 10.254 1.00 0.11 C ATOM 588 O ALA A2086 7.144 -5.253 11.129 1.00 0.14 O ATOM 589 CB ALA A2086 5.747 -8.125 11.133 1.00 0.14 C ATOM 0 H ALA A2086 5.343 -8.221 8.687 1.00 0.11 H new ATOM 0 HA ALA A2086 4.837 -6.240 10.704 1.00 0.12 H new ATOM 0 HB1 ALA A2086 6.063 -7.839 12.136 1.00 0.14 H new ATOM 0 HB2 ALA A2086 4.788 -8.641 11.187 1.00 0.14 H new ATOM 0 HB3 ALA A2086 6.492 -8.789 10.694 1.00 0.14 H new ATOM 595 N THR A2087 7.754 -6.348 9.265 1.00 0.10 N ATOM 596 CA THR A2087 8.966 -5.577 9.094 1.00 0.11 C ATOM 597 C THR A2087 8.619 -4.243 8.476 1.00 0.10 C ATOM 598 O THR A2087 7.692 -4.132 7.676 1.00 0.10 O ATOM 599 CB THR A2087 9.982 -6.280 8.181 1.00 0.14 C ATOM 600 OG1 THR A2087 10.214 -7.617 8.642 1.00 0.16 O ATOM 601 CG2 THR A2087 11.303 -5.512 8.119 1.00 0.16 C ATOM 0 H THR A2087 7.618 -7.086 8.574 1.00 0.10 H new ATOM 0 HA THR A2087 9.418 -5.457 10.079 1.00 0.11 H new ATOM 0 HB THR A2087 9.563 -6.311 7.175 1.00 0.14 H new ATOM 0 HG1 THR A2087 10.861 -8.058 8.053 1.00 0.16 H new ATOM 0 HG21 THR A2087 11.999 -6.037 7.465 1.00 0.16 H new ATOM 0 HG22 THR A2087 11.123 -4.510 7.729 1.00 0.16 H new ATOM 0 HG23 THR A2087 11.730 -5.441 9.119 1.00 0.16 H new ATOM 609 N ALA A2088 9.372 -3.246 8.839 1.00 0.12 N ATOM 610 CA ALA A2088 9.143 -1.914 8.341 1.00 0.12 C ATOM 611 C ALA A2088 9.832 -1.732 7.011 1.00 0.11 C ATOM 612 O ALA A2088 10.914 -2.274 6.787 1.00 0.12 O ATOM 613 CB ALA A2088 9.612 -0.872 9.340 1.00 0.15 C ATOM 0 H ALA A2088 10.158 -3.328 9.484 1.00 0.12 H new ATOM 0 HA ALA A2088 8.071 -1.778 8.199 1.00 0.12 H new ATOM 0 HB1 ALA A2088 9.428 0.125 8.940 1.00 0.15 H new ATOM 0 HB2 ALA A2088 9.067 -0.994 10.276 1.00 0.15 H new ATOM 0 HB3 ALA A2088 10.679 -0.998 9.523 1.00 0.15 H new ATOM 619 N PHE A2089 9.181 -0.989 6.134 1.00 0.10 N ATOM 620 CA PHE A2089 9.729 -0.649 4.820 1.00 0.09 C ATOM 621 C PHE A2089 11.202 -0.261 4.904 1.00 0.09 C ATOM 622 O PHE A2089 12.000 -0.651 4.053 1.00 0.12 O ATOM 623 CB PHE A2089 8.918 0.491 4.232 1.00 0.09 C ATOM 624 CG PHE A2089 7.587 0.045 3.715 1.00 0.09 C ATOM 625 CD1 PHE A2089 7.507 -0.882 2.690 1.00 0.08 C ATOM 626 CD2 PHE A2089 6.417 0.547 4.251 1.00 0.12 C ATOM 627 CE1 PHE A2089 6.284 -1.301 2.214 1.00 0.09 C ATOM 628 CE2 PHE A2089 5.193 0.134 3.776 1.00 0.12 C ATOM 629 CZ PHE A2089 5.126 -0.792 2.757 1.00 0.10 C ATOM 0 H PHE A2089 8.254 -0.600 6.307 1.00 0.10 H new ATOM 0 HA PHE A2089 9.665 -1.527 4.178 1.00 0.09 H new ATOM 0 HB2 PHE A2089 8.770 1.257 4.994 1.00 0.09 H new ATOM 0 HB3 PHE A2089 9.482 0.953 3.422 1.00 0.09 H new ATOM 0 HD1 PHE A2089 8.413 -1.281 2.259 1.00 0.08 H new ATOM 0 HD2 PHE A2089 6.463 1.271 5.051 1.00 0.12 H new ATOM 0 HE1 PHE A2089 6.234 -2.027 1.416 1.00 0.09 H new ATOM 0 HE2 PHE A2089 4.285 0.535 4.202 1.00 0.12 H new ATOM 0 HZ PHE A2089 4.166 -1.118 2.385 1.00 0.10 H new ATOM 639 N LYS A2090 11.545 0.503 5.932 1.00 0.12 N ATOM 640 CA LYS A2090 12.923 0.858 6.214 1.00 0.16 C ATOM 641 C LYS A2090 13.833 -0.369 6.184 1.00 0.17 C ATOM 642 O LYS A2090 14.716 -0.481 5.334 1.00 0.20 O ATOM 643 CB LYS A2090 13.000 1.503 7.593 1.00 0.21 C ATOM 644 CG LYS A2090 14.402 1.891 7.988 1.00 0.29 C ATOM 645 CD LYS A2090 14.890 3.046 7.154 1.00 0.38 C ATOM 646 CE LYS A2090 14.278 4.347 7.623 1.00 1.54 C ATOM 647 NZ LYS A2090 14.797 5.521 6.870 1.00 1.69 N ATOM 0 H LYS A2090 10.873 0.893 6.593 1.00 0.12 H new ATOM 0 HA LYS A2090 13.261 1.553 5.445 1.00 0.16 H new ATOM 0 HB2 LYS A2090 12.366 2.390 7.608 1.00 0.21 H new ATOM 0 HB3 LYS A2090 12.599 0.811 8.334 1.00 0.21 H new ATOM 0 HG2 LYS A2090 14.426 2.163 9.043 1.00 0.29 H new ATOM 0 HG3 LYS A2090 15.069 1.038 7.863 1.00 0.29 H new ATOM 0 HD2 LYS A2090 15.977 3.109 7.213 1.00 0.38 H new ATOM 0 HD3 LYS A2090 14.637 2.877 6.107 1.00 0.38 H new ATOM 0 HE2 LYS A2090 13.195 4.297 7.512 1.00 1.54 H new ATOM 0 HE3 LYS A2090 14.483 4.480 8.685 1.00 1.54 H new ATOM 0 HZ1 LYS A2090 14.348 6.389 7.227 1.00 1.69 H new ATOM 0 HZ2 LYS A2090 15.827 5.587 6.996 1.00 1.69 H new ATOM 0 HZ3 LYS A2090 14.579 5.409 5.859 1.00 1.69 H new ATOM 661 N ASP A2091 13.593 -1.284 7.116 1.00 0.17 N ATOM 662 CA ASP A2091 14.392 -2.503 7.247 1.00 0.20 C ATOM 663 C ASP A2091 14.296 -3.389 6.010 1.00 0.20 C ATOM 664 O ASP A2091 15.156 -4.240 5.775 1.00 0.32 O ATOM 665 CB ASP A2091 13.958 -3.303 8.475 1.00 0.24 C ATOM 666 CG ASP A2091 14.407 -2.673 9.775 1.00 1.23 C ATOM 667 OD1 ASP A2091 13.676 -1.812 10.308 1.00 2.27 O ATOM 668 OD2 ASP A2091 15.486 -3.047 10.279 1.00 1.15 O ATOM 0 H ASP A2091 12.842 -1.205 7.802 1.00 0.17 H new ATOM 0 HA ASP A2091 15.429 -2.188 7.360 1.00 0.20 H new ATOM 0 HB2 ASP A2091 12.872 -3.395 8.477 1.00 0.24 H new ATOM 0 HB3 ASP A2091 14.363 -4.313 8.407 1.00 0.24 H new ATOM 673 N LEU A2092 13.250 -3.190 5.226 1.00 0.16 N ATOM 674 CA LEU A2092 13.026 -3.987 4.033 1.00 0.18 C ATOM 675 C LEU A2092 13.780 -3.432 2.830 1.00 0.19 C ATOM 676 O LEU A2092 13.960 -4.131 1.833 1.00 0.24 O ATOM 677 CB LEU A2092 11.530 -4.076 3.752 1.00 0.17 C ATOM 678 CG LEU A2092 10.763 -4.952 4.742 1.00 0.19 C ATOM 679 CD1 LEU A2092 9.292 -4.593 4.764 1.00 0.18 C ATOM 680 CD2 LEU A2092 10.943 -6.423 4.399 1.00 0.23 C ATOM 0 H LEU A2092 12.539 -2.479 5.396 1.00 0.16 H new ATOM 0 HA LEU A2092 13.416 -4.989 4.211 1.00 0.18 H new ATOM 0 HB2 LEU A2092 11.107 -3.071 3.768 1.00 0.17 H new ATOM 0 HB3 LEU A2092 11.382 -4.468 2.746 1.00 0.17 H new ATOM 0 HG LEU A2092 11.170 -4.770 5.737 1.00 0.19 H new ATOM 0 HD11 LEU A2092 8.772 -5.233 5.477 1.00 0.18 H new ATOM 0 HD12 LEU A2092 9.176 -3.550 5.060 1.00 0.18 H new ATOM 0 HD13 LEU A2092 8.867 -4.737 3.771 1.00 0.18 H new ATOM 0 HD21 LEU A2092 10.391 -7.033 5.113 1.00 0.23 H new ATOM 0 HD22 LEU A2092 10.566 -6.611 3.394 1.00 0.23 H new ATOM 0 HD23 LEU A2092 12.001 -6.680 4.444 1.00 0.23 H new ATOM 692 N GLY A2093 14.223 -2.183 2.921 1.00 0.16 N ATOM 693 CA GLY A2093 15.043 -1.622 1.867 1.00 0.18 C ATOM 694 C GLY A2093 14.452 -0.384 1.215 1.00 0.15 C ATOM 695 O GLY A2093 14.962 0.078 0.193 1.00 0.20 O ATOM 0 H GLY A2093 14.030 -1.554 3.700 1.00 0.16 H new ATOM 0 HA2 GLY A2093 16.022 -1.372 2.277 1.00 0.18 H new ATOM 0 HA3 GLY A2093 15.202 -2.382 1.102 1.00 0.18 H new ATOM 699 N ILE A2094 13.385 0.157 1.791 1.00 0.13 N ATOM 700 CA ILE A2094 12.750 1.352 1.250 1.00 0.12 C ATOM 701 C ILE A2094 13.625 2.591 1.416 1.00 0.12 C ATOM 702 O ILE A2094 14.096 2.905 2.514 1.00 0.16 O ATOM 703 CB ILE A2094 11.362 1.577 1.894 1.00 0.12 C ATOM 704 CG1 ILE A2094 10.294 0.872 1.048 1.00 0.18 C ATOM 705 CG2 ILE A2094 11.052 3.062 2.063 1.00 0.18 C ATOM 706 CD1 ILE A2094 9.520 1.797 0.134 1.00 0.32 C ATOM 0 H ILE A2094 12.942 -0.213 2.632 1.00 0.13 H new ATOM 0 HA ILE A2094 12.617 1.188 0.181 1.00 0.12 H new ATOM 0 HB ILE A2094 11.364 1.147 2.896 1.00 0.12 H new ATOM 0 HG12 ILE A2094 10.774 0.101 0.445 1.00 0.18 H new ATOM 0 HG13 ILE A2094 9.594 0.367 1.713 1.00 0.18 H new ATOM 0 HG21 ILE A2094 10.069 3.179 2.518 1.00 0.18 H new ATOM 0 HG22 ILE A2094 11.805 3.520 2.704 1.00 0.18 H new ATOM 0 HG23 ILE A2094 11.060 3.549 1.088 1.00 0.18 H new ATOM 0 HD11 ILE A2094 8.785 1.221 -0.429 1.00 0.32 H new ATOM 0 HD12 ILE A2094 9.009 2.553 0.730 1.00 0.32 H new ATOM 0 HD13 ILE A2094 10.207 2.284 -0.558 1.00 0.32 H new ATOM 718 N ASP A2095 13.852 3.272 0.304 1.00 0.15 N ATOM 719 CA ASP A2095 14.541 4.553 0.296 1.00 0.19 C ATOM 720 C ASP A2095 13.487 5.654 0.304 1.00 0.16 C ATOM 721 O ASP A2095 12.323 5.367 0.059 1.00 0.17 O ATOM 722 CB ASP A2095 15.427 4.657 -0.952 1.00 0.28 C ATOM 723 CG ASP A2095 16.339 5.866 -0.947 1.00 1.04 C ATOM 724 OD1 ASP A2095 15.865 6.981 -1.243 1.00 1.23 O ATOM 725 OD2 ASP A2095 17.544 5.699 -0.665 1.00 1.86 O ATOM 0 H ASP A2095 13.563 2.952 -0.620 1.00 0.15 H new ATOM 0 HA ASP A2095 15.182 4.652 1.172 1.00 0.19 H new ATOM 0 HB2 ASP A2095 16.033 3.755 -1.033 1.00 0.28 H new ATOM 0 HB3 ASP A2095 14.792 4.695 -1.837 1.00 0.28 H new ATOM 730 N SER A2096 13.858 6.890 0.580 1.00 0.19 N ATOM 731 CA SER A2096 12.882 7.976 0.602 1.00 0.20 C ATOM 732 C SER A2096 12.273 8.180 -0.789 1.00 0.17 C ATOM 733 O SER A2096 11.107 8.564 -0.925 1.00 0.20 O ATOM 734 CB SER A2096 13.537 9.266 1.096 1.00 0.26 C ATOM 735 OG SER A2096 12.580 10.297 1.284 1.00 1.32 O ATOM 0 H SER A2096 14.816 7.171 0.791 1.00 0.19 H new ATOM 0 HA SER A2096 12.080 7.708 1.290 1.00 0.20 H new ATOM 0 HB2 SER A2096 14.057 9.075 2.035 1.00 0.26 H new ATOM 0 HB3 SER A2096 14.288 9.592 0.377 1.00 0.26 H new ATOM 0 HG SER A2096 11.975 10.053 2.015 1.00 1.32 H new ATOM 741 N LEU A2097 13.065 7.887 -1.816 1.00 0.17 N ATOM 742 CA LEU A2097 12.619 7.988 -3.202 1.00 0.19 C ATOM 743 C LEU A2097 11.589 6.929 -3.483 1.00 0.18 C ATOM 744 O LEU A2097 10.515 7.202 -3.995 1.00 0.24 O ATOM 745 CB LEU A2097 13.799 7.783 -4.139 1.00 0.23 C ATOM 746 CG LEU A2097 15.004 8.677 -3.873 1.00 1.07 C ATOM 747 CD1 LEU A2097 16.160 8.299 -4.784 1.00 1.61 C ATOM 748 CD2 LEU A2097 14.640 10.141 -4.055 1.00 1.55 C ATOM 0 H LEU A2097 14.030 7.574 -1.712 1.00 0.17 H new ATOM 0 HA LEU A2097 12.187 8.976 -3.362 1.00 0.19 H new ATOM 0 HB2 LEU A2097 14.118 6.743 -4.073 1.00 0.23 H new ATOM 0 HB3 LEU A2097 13.463 7.949 -5.162 1.00 0.23 H new ATOM 0 HG LEU A2097 15.316 8.529 -2.839 1.00 1.07 H new ATOM 0 HD11 LEU A2097 17.012 8.948 -4.580 1.00 1.61 H new ATOM 0 HD12 LEU A2097 16.442 7.262 -4.602 1.00 1.61 H new ATOM 0 HD13 LEU A2097 15.856 8.415 -5.824 1.00 1.61 H new ATOM 0 HD21 LEU A2097 15.515 10.761 -3.860 1.00 1.55 H new ATOM 0 HD22 LEU A2097 14.298 10.307 -5.077 1.00 1.55 H new ATOM 0 HD23 LEU A2097 13.845 10.407 -3.359 1.00 1.55 H new ATOM 760 N THR A2098 11.932 5.713 -3.145 1.00 0.14 N ATOM 761 CA THR A2098 11.021 4.608 -3.327 1.00 0.15 C ATOM 762 C THR A2098 9.847 4.661 -2.365 1.00 0.16 C ATOM 763 O THR A2098 8.776 4.132 -2.656 1.00 0.17 O ATOM 764 CB THR A2098 11.733 3.268 -3.248 1.00 0.15 C ATOM 765 OG1 THR A2098 12.896 3.381 -2.420 1.00 0.17 O ATOM 766 CG2 THR A2098 12.116 2.831 -4.647 1.00 0.19 C ATOM 0 H THR A2098 12.835 5.461 -2.742 1.00 0.14 H new ATOM 0 HA THR A2098 10.616 4.709 -4.334 1.00 0.15 H new ATOM 0 HB THR A2098 11.071 2.522 -2.807 1.00 0.15 H new ATOM 0 HG1 THR A2098 13.434 2.566 -2.499 1.00 0.17 H new ATOM 0 HG21 THR A2098 12.628 1.870 -4.601 1.00 0.19 H new ATOM 0 HG22 THR A2098 11.218 2.735 -5.257 1.00 0.19 H new ATOM 0 HG23 THR A2098 12.778 3.574 -5.092 1.00 0.19 H new ATOM 774 N ALA A2099 10.044 5.301 -1.223 1.00 0.16 N ATOM 775 CA ALA A2099 8.942 5.612 -0.327 1.00 0.18 C ATOM 776 C ALA A2099 7.943 6.509 -1.049 1.00 0.21 C ATOM 777 O ALA A2099 6.757 6.562 -0.717 1.00 0.24 O ATOM 778 CB ALA A2099 9.453 6.296 0.932 1.00 0.18 C ATOM 0 H ALA A2099 10.957 5.615 -0.895 1.00 0.16 H new ATOM 0 HA ALA A2099 8.449 4.686 -0.032 1.00 0.18 H new ATOM 0 HB1 ALA A2099 8.614 6.521 1.590 1.00 0.18 H new ATOM 0 HB2 ALA A2099 10.151 5.636 1.447 1.00 0.18 H new ATOM 0 HB3 ALA A2099 9.961 7.222 0.662 1.00 0.18 H new ATOM 784 N LEU A2100 8.443 7.191 -2.060 1.00 0.20 N ATOM 785 CA LEU A2100 7.637 8.063 -2.876 1.00 0.24 C ATOM 786 C LEU A2100 7.069 7.263 -4.047 1.00 0.20 C ATOM 787 O LEU A2100 5.918 7.438 -4.434 1.00 0.21 O ATOM 788 CB LEU A2100 8.502 9.245 -3.346 1.00 0.30 C ATOM 789 CG LEU A2100 8.450 9.554 -4.838 1.00 0.24 C ATOM 790 CD1 LEU A2100 7.167 10.289 -5.185 1.00 1.03 C ATOM 791 CD2 LEU A2100 9.666 10.349 -5.274 1.00 1.15 C ATOM 0 H LEU A2100 9.424 7.153 -2.336 1.00 0.20 H new ATOM 0 HA LEU A2100 6.797 8.467 -2.310 1.00 0.24 H new ATOM 0 HB2 LEU A2100 8.194 10.136 -2.799 1.00 0.30 H new ATOM 0 HB3 LEU A2100 9.538 9.044 -3.072 1.00 0.30 H new ATOM 0 HG LEU A2100 8.461 8.609 -5.381 1.00 0.24 H new ATOM 0 HD11 LEU A2100 7.147 10.501 -6.254 1.00 1.03 H new ATOM 0 HD12 LEU A2100 6.310 9.669 -4.922 1.00 1.03 H new ATOM 0 HD13 LEU A2100 7.122 11.225 -4.628 1.00 1.03 H new ATOM 0 HD21 LEU A2100 9.602 10.555 -6.342 1.00 1.15 H new ATOM 0 HD22 LEU A2100 9.702 11.290 -4.725 1.00 1.15 H new ATOM 0 HD23 LEU A2100 10.569 9.774 -5.069 1.00 1.15 H new ATOM 803 N GLU A2101 7.877 6.355 -4.583 1.00 0.21 N ATOM 804 CA GLU A2101 7.463 5.519 -5.703 1.00 0.20 C ATOM 805 C GLU A2101 6.359 4.556 -5.289 1.00 0.17 C ATOM 806 O GLU A2101 5.464 4.249 -6.073 1.00 0.17 O ATOM 807 CB GLU A2101 8.657 4.746 -6.241 1.00 0.23 C ATOM 808 CG GLU A2101 9.820 5.647 -6.593 1.00 0.28 C ATOM 809 CD GLU A2101 10.876 4.952 -7.423 1.00 0.33 C ATOM 810 OE1 GLU A2101 12.039 4.887 -6.987 1.00 0.46 O ATOM 811 OE2 GLU A2101 10.540 4.455 -8.520 1.00 0.45 O ATOM 0 H GLU A2101 8.827 6.179 -4.257 1.00 0.21 H new ATOM 0 HA GLU A2101 7.070 6.167 -6.487 1.00 0.20 H new ATOM 0 HB2 GLU A2101 8.979 4.017 -5.497 1.00 0.23 H new ATOM 0 HB3 GLU A2101 8.354 4.186 -7.126 1.00 0.23 H new ATOM 0 HG2 GLU A2101 9.448 6.514 -7.140 1.00 0.28 H new ATOM 0 HG3 GLU A2101 10.274 6.020 -5.675 1.00 0.28 H new ATOM 818 N LEU A2102 6.435 4.077 -4.057 1.00 0.16 N ATOM 819 CA LEU A2102 5.429 3.216 -3.511 1.00 0.16 C ATOM 820 C LEU A2102 4.073 3.887 -3.516 1.00 0.16 C ATOM 821 O LEU A2102 3.122 3.394 -4.119 1.00 0.21 O ATOM 822 CB LEU A2102 5.818 2.852 -2.091 1.00 0.22 C ATOM 823 CG LEU A2102 5.540 1.418 -1.763 1.00 0.53 C ATOM 824 CD1 LEU A2102 6.379 0.537 -2.647 1.00 1.09 C ATOM 825 CD2 LEU A2102 5.801 1.118 -0.302 1.00 1.13 C ATOM 0 H LEU A2102 7.202 4.282 -3.417 1.00 0.16 H new ATOM 0 HA LEU A2102 5.359 2.319 -4.126 1.00 0.16 H new ATOM 0 HB2 LEU A2102 6.879 3.054 -1.947 1.00 0.22 H new ATOM 0 HB3 LEU A2102 5.275 3.491 -1.395 1.00 0.22 H new ATOM 0 HG LEU A2102 4.484 1.218 -1.945 1.00 0.53 H new ATOM 0 HD11 LEU A2102 6.180 -0.509 -2.412 1.00 1.09 H new ATOM 0 HD12 LEU A2102 6.131 0.728 -3.691 1.00 1.09 H new ATOM 0 HD13 LEU A2102 7.434 0.752 -2.479 1.00 1.09 H new ATOM 0 HD21 LEU A2102 5.588 0.068 -0.103 1.00 1.13 H new ATOM 0 HD22 LEU A2102 6.845 1.327 -0.068 1.00 1.13 H new ATOM 0 HD23 LEU A2102 5.158 1.743 0.318 1.00 1.13 H new ATOM 837 N ARG A2103 4.002 5.011 -2.828 1.00 0.18 N ATOM 838 CA ARG A2103 2.782 5.812 -2.782 1.00 0.25 C ATOM 839 C ARG A2103 2.305 6.138 -4.201 1.00 0.22 C ATOM 840 O ARG A2103 1.107 6.206 -4.455 1.00 0.24 O ATOM 841 CB ARG A2103 3.016 7.101 -1.979 1.00 0.37 C ATOM 842 CG ARG A2103 3.683 8.212 -2.773 1.00 0.72 C ATOM 843 CD ARG A2103 2.677 9.243 -3.252 1.00 0.65 C ATOM 844 NE ARG A2103 3.131 9.930 -4.459 1.00 1.21 N ATOM 845 CZ ARG A2103 2.679 11.115 -4.867 1.00 1.49 C ATOM 846 NH1 ARG A2103 1.773 11.771 -4.157 1.00 1.92 N ATOM 847 NH2 ARG A2103 3.130 11.635 -5.999 1.00 2.11 N ATOM 0 H ARG A2103 4.777 5.396 -2.288 1.00 0.18 H new ATOM 0 HA ARG A2103 2.005 5.234 -2.282 1.00 0.25 H new ATOM 0 HB2 ARG A2103 2.058 7.462 -1.603 1.00 0.37 H new ATOM 0 HB3 ARG A2103 3.632 6.869 -1.110 1.00 0.37 H new ATOM 0 HG2 ARG A2103 4.437 8.699 -2.154 1.00 0.72 H new ATOM 0 HG3 ARG A2103 4.202 7.785 -3.631 1.00 0.72 H new ATOM 0 HD2 ARG A2103 1.723 8.754 -3.450 1.00 0.65 H new ATOM 0 HD3 ARG A2103 2.503 9.974 -2.462 1.00 0.65 H new ATOM 0 HE ARG A2103 3.842 9.471 -5.028 1.00 1.21 H new ATOM 0 HH11 ARG A2103 1.416 11.369 -3.290 1.00 1.92 H new ATOM 0 HH12 ARG A2103 1.433 12.678 -4.477 1.00 1.92 H new ATOM 0 HH21 ARG A2103 3.820 11.128 -6.554 1.00 2.11 H new ATOM 0 HH22 ARG A2103 2.787 12.542 -6.316 1.00 2.11 H new ATOM 861 N ASN A2104 3.257 6.335 -5.115 1.00 0.21 N ATOM 862 CA ASN A2104 2.957 6.562 -6.523 1.00 0.22 C ATOM 863 C ASN A2104 2.115 5.418 -7.089 1.00 0.23 C ATOM 864 O ASN A2104 1.071 5.644 -7.701 1.00 0.29 O ATOM 865 CB ASN A2104 4.257 6.703 -7.330 1.00 0.23 C ATOM 866 CG ASN A2104 4.925 8.062 -7.189 1.00 0.31 C ATOM 867 OD1 ASN A2104 4.289 9.054 -6.838 1.00 0.40 O ATOM 868 ND2 ASN A2104 6.212 8.119 -7.505 1.00 0.36 N ATOM 0 H ASN A2104 4.253 6.341 -4.897 1.00 0.21 H new ATOM 0 HA ASN A2104 2.386 7.487 -6.604 1.00 0.22 H new ATOM 0 HB2 ASN A2104 4.957 5.930 -7.011 1.00 0.23 H new ATOM 0 HB3 ASN A2104 4.041 6.523 -8.383 1.00 0.23 H new ATOM 0 HD21 ASN A2104 6.709 9.009 -7.461 1.00 0.36 H new ATOM 0 HD22 ASN A2104 6.705 7.273 -7.792 1.00 0.36 H new ATOM 875 N THR A2105 2.569 4.188 -6.874 1.00 0.21 N ATOM 876 CA THR A2105 1.850 3.007 -7.339 1.00 0.24 C ATOM 877 C THR A2105 0.556 2.801 -6.550 1.00 0.22 C ATOM 878 O THR A2105 -0.492 2.486 -7.123 1.00 0.24 O ATOM 879 CB THR A2105 2.733 1.748 -7.212 1.00 0.28 C ATOM 880 OG1 THR A2105 4.002 1.979 -7.837 1.00 0.33 O ATOM 881 CG2 THR A2105 2.066 0.538 -7.852 1.00 0.28 C ATOM 0 H THR A2105 3.436 3.982 -6.378 1.00 0.21 H new ATOM 0 HA THR A2105 1.599 3.168 -8.387 1.00 0.24 H new ATOM 0 HB THR A2105 2.874 1.542 -6.151 1.00 0.28 H new ATOM 0 HG1 THR A2105 4.524 2.607 -7.295 1.00 0.33 H new ATOM 0 HG21 THR A2105 2.713 -0.333 -7.746 1.00 0.28 H new ATOM 0 HG22 THR A2105 1.113 0.344 -7.359 1.00 0.28 H new ATOM 0 HG23 THR A2105 1.893 0.735 -8.910 1.00 0.28 H new ATOM 889 N LEU A2106 0.628 2.999 -5.240 1.00 0.20 N ATOM 890 CA LEU A2106 -0.519 2.787 -4.364 1.00 0.19 C ATOM 891 C LEU A2106 -1.640 3.773 -4.672 1.00 0.18 C ATOM 892 O LEU A2106 -2.786 3.374 -4.837 1.00 0.22 O ATOM 893 CB LEU A2106 -0.104 2.920 -2.896 1.00 0.28 C ATOM 894 CG LEU A2106 1.024 1.989 -2.448 1.00 0.50 C ATOM 895 CD1 LEU A2106 1.357 2.222 -0.983 1.00 1.25 C ATOM 896 CD2 LEU A2106 0.650 0.535 -2.683 1.00 1.47 C ATOM 0 H LEU A2106 1.472 3.308 -4.758 1.00 0.20 H new ATOM 0 HA LEU A2106 -0.889 1.777 -4.543 1.00 0.19 H new ATOM 0 HB2 LEU A2106 0.204 3.950 -2.715 1.00 0.28 H new ATOM 0 HB3 LEU A2106 -0.977 2.733 -2.271 1.00 0.28 H new ATOM 0 HG LEU A2106 1.908 2.214 -3.045 1.00 0.50 H new ATOM 0 HD11 LEU A2106 2.161 1.551 -0.682 1.00 1.25 H new ATOM 0 HD12 LEU A2106 1.674 3.255 -0.842 1.00 1.25 H new ATOM 0 HD13 LEU A2106 0.474 2.027 -0.374 1.00 1.25 H new ATOM 0 HD21 LEU A2106 1.467 -0.108 -2.357 1.00 1.47 H new ATOM 0 HD22 LEU A2106 -0.249 0.294 -2.116 1.00 1.47 H new ATOM 0 HD23 LEU A2106 0.463 0.374 -3.745 1.00 1.47 H new ATOM 908 N THR A2107 -1.306 5.055 -4.764 1.00 0.19 N ATOM 909 CA THR A2107 -2.305 6.089 -5.011 1.00 0.27 C ATOM 910 C THR A2107 -2.914 5.915 -6.405 1.00 0.29 C ATOM 911 O THR A2107 -4.064 6.278 -6.647 1.00 0.33 O ATOM 912 CB THR A2107 -1.705 7.511 -4.840 1.00 0.37 C ATOM 913 OG1 THR A2107 -2.721 8.427 -4.430 1.00 0.67 O ATOM 914 CG2 THR A2107 -1.069 8.029 -6.120 1.00 0.44 C ATOM 0 H THR A2107 -0.352 5.404 -4.671 1.00 0.19 H new ATOM 0 HA THR A2107 -3.096 5.979 -4.270 1.00 0.27 H new ATOM 0 HB THR A2107 -0.928 7.435 -4.079 1.00 0.37 H new ATOM 0 HG1 THR A2107 -3.388 8.516 -5.142 1.00 0.67 H new ATOM 0 HG21 THR A2107 -0.665 9.026 -5.948 1.00 0.44 H new ATOM 0 HG22 THR A2107 -0.265 7.359 -6.424 1.00 0.44 H new ATOM 0 HG23 THR A2107 -1.821 8.074 -6.908 1.00 0.44 H new ATOM 922 N HIS A2108 -2.132 5.337 -7.307 1.00 0.29 N ATOM 923 CA HIS A2108 -2.592 5.014 -8.649 1.00 0.35 C ATOM 924 C HIS A2108 -3.577 3.853 -8.606 1.00 0.35 C ATOM 925 O HIS A2108 -4.650 3.901 -9.204 1.00 0.47 O ATOM 926 CB HIS A2108 -1.391 4.648 -9.511 1.00 0.38 C ATOM 927 CG HIS A2108 -1.719 4.372 -10.942 1.00 0.61 C ATOM 928 ND1 HIS A2108 -1.867 5.357 -11.894 1.00 0.71 N ATOM 929 CD2 HIS A2108 -1.920 3.202 -11.577 1.00 1.06 C ATOM 930 CE1 HIS A2108 -2.149 4.799 -13.057 1.00 1.01 C ATOM 931 NE2 HIS A2108 -2.187 3.489 -12.893 1.00 1.29 N ATOM 0 H HIS A2108 -1.161 5.079 -7.128 1.00 0.29 H new ATOM 0 HA HIS A2108 -3.100 5.879 -9.075 1.00 0.35 H new ATOM 0 HB2 HIS A2108 -0.667 5.461 -9.467 1.00 0.38 H new ATOM 0 HB3 HIS A2108 -0.908 3.768 -9.085 1.00 0.38 H new ATOM 0 HD2 HIS A2108 -1.879 2.218 -11.133 1.00 1.06 H new ATOM 0 HE1 HIS A2108 -2.320 5.325 -13.985 1.00 1.01 H new ATOM 0 HE2 HIS A2108 -2.382 2.804 -13.623 1.00 1.29 H new ATOM 940 N ASN A2109 -3.186 2.814 -7.892 1.00 0.27 N ATOM 941 CA ASN A2109 -3.991 1.599 -7.765 1.00 0.28 C ATOM 942 C ASN A2109 -5.269 1.831 -6.962 1.00 0.28 C ATOM 943 O ASN A2109 -6.344 1.375 -7.348 1.00 0.36 O ATOM 944 CB ASN A2109 -3.162 0.493 -7.119 1.00 0.28 C ATOM 945 CG ASN A2109 -2.507 -0.409 -8.144 1.00 0.35 C ATOM 946 OD1 ASN A2109 -3.089 -1.405 -8.574 1.00 0.40 O ATOM 947 ND2 ASN A2109 -1.298 -0.064 -8.547 1.00 0.39 N ATOM 0 H ASN A2109 -2.303 2.782 -7.382 1.00 0.27 H new ATOM 0 HA ASN A2109 -4.290 1.299 -8.769 1.00 0.28 H new ATOM 0 HB2 ASN A2109 -2.394 0.940 -6.488 1.00 0.28 H new ATOM 0 HB3 ASN A2109 -3.801 -0.104 -6.469 1.00 0.28 H new ATOM 0 HD21 ASN A2109 -0.810 -0.631 -9.241 1.00 0.39 H new ATOM 0 HD22 ASN A2109 -0.852 0.770 -8.165 1.00 0.39 H new ATOM 954 N THR A2110 -5.151 2.554 -5.859 1.00 0.25 N ATOM 955 CA THR A2110 -6.285 2.832 -4.994 1.00 0.26 C ATOM 956 C THR A2110 -7.150 3.905 -5.632 1.00 0.27 C ATOM 957 O THR A2110 -8.350 4.006 -5.369 1.00 0.33 O ATOM 958 CB THR A2110 -5.811 3.277 -3.597 1.00 0.27 C ATOM 959 OG1 THR A2110 -4.956 4.423 -3.713 1.00 0.24 O ATOM 960 CG2 THR A2110 -5.055 2.152 -2.905 1.00 0.29 C ATOM 0 H THR A2110 -4.272 2.962 -5.540 1.00 0.25 H new ATOM 0 HA THR A2110 -6.872 1.922 -4.871 1.00 0.26 H new ATOM 0 HB THR A2110 -6.688 3.533 -3.002 1.00 0.27 H new ATOM 0 HG1 THR A2110 -4.038 4.130 -3.892 1.00 0.24 H new ATOM 0 HG21 THR A2110 -4.728 2.485 -1.920 1.00 0.29 H new ATOM 0 HG22 THR A2110 -5.709 1.287 -2.797 1.00 0.29 H new ATOM 0 HG23 THR A2110 -4.185 1.877 -3.502 1.00 0.29 H new ATOM 968 N GLY A2111 -6.519 4.691 -6.498 1.00 0.23 N ATOM 969 CA GLY A2111 -7.220 5.698 -7.255 1.00 0.26 C ATOM 970 C GLY A2111 -7.422 6.971 -6.467 1.00 0.29 C ATOM 971 O GLY A2111 -8.085 7.900 -6.927 1.00 0.36 O ATOM 0 H GLY A2111 -5.518 4.642 -6.687 1.00 0.23 H new ATOM 0 HA2 GLY A2111 -6.661 5.921 -8.164 1.00 0.26 H new ATOM 0 HA3 GLY A2111 -8.189 5.307 -7.565 1.00 0.26 H new ATOM 975 N LEU A2112 -6.841 7.008 -5.283 1.00 0.28 N ATOM 976 CA LEU A2112 -6.968 8.148 -4.393 1.00 0.34 C ATOM 977 C LEU A2112 -5.784 9.068 -4.560 1.00 0.29 C ATOM 978 O LEU A2112 -5.080 9.033 -5.570 1.00 0.29 O ATOM 979 CB LEU A2112 -7.008 7.686 -2.942 1.00 0.43 C ATOM 980 CG LEU A2112 -7.344 6.222 -2.714 1.00 0.33 C ATOM 981 CD1 LEU A2112 -6.850 5.829 -1.349 1.00 0.45 C ATOM 982 CD2 LEU A2112 -8.836 5.964 -2.834 1.00 0.47 C ATOM 0 H LEU A2112 -6.268 6.250 -4.911 1.00 0.28 H new ATOM 0 HA LEU A2112 -7.891 8.671 -4.643 1.00 0.34 H new ATOM 0 HB2 LEU A2112 -6.037 7.889 -2.491 1.00 0.43 H new ATOM 0 HB3 LEU A2112 -7.740 8.293 -2.409 1.00 0.43 H new ATOM 0 HG LEU A2112 -6.855 5.621 -3.480 1.00 0.33 H new ATOM 0 HD11 LEU A2112 -7.082 4.780 -1.166 1.00 0.45 H new ATOM 0 HD12 LEU A2112 -5.771 5.977 -1.296 1.00 0.45 H new ATOM 0 HD13 LEU A2112 -7.338 6.445 -0.594 1.00 0.45 H new ATOM 0 HD21 LEU A2112 -9.037 4.906 -2.665 1.00 0.47 H new ATOM 0 HD22 LEU A2112 -9.369 6.558 -2.092 1.00 0.47 H new ATOM 0 HD23 LEU A2112 -9.174 6.242 -3.832 1.00 0.47 H new ATOM 994 N ASP A2113 -5.572 9.882 -3.550 1.00 0.28 N ATOM 995 CA ASP A2113 -4.467 10.816 -3.538 1.00 0.28 C ATOM 996 C ASP A2113 -3.764 10.750 -2.201 1.00 0.30 C ATOM 997 O ASP A2113 -4.376 10.929 -1.144 1.00 0.35 O ATOM 998 CB ASP A2113 -4.962 12.219 -3.817 1.00 0.34 C ATOM 999 CG ASP A2113 -3.866 13.261 -3.717 1.00 0.38 C ATOM 1000 OD1 ASP A2113 -2.963 13.267 -4.579 1.00 0.42 O ATOM 1001 OD2 ASP A2113 -3.898 14.075 -2.772 1.00 0.43 O ATOM 0 H ASP A2113 -6.158 9.916 -2.716 1.00 0.28 H new ATOM 0 HA ASP A2113 -3.758 10.547 -4.321 1.00 0.28 H new ATOM 0 HB2 ASP A2113 -5.399 12.253 -4.815 1.00 0.34 H new ATOM 0 HB3 ASP A2113 -5.756 12.466 -3.113 1.00 0.34 H new ATOM 1006 N LEU A2114 -2.486 10.478 -2.262 1.00 0.30 N ATOM 1007 CA LEU A2114 -1.704 10.163 -1.083 1.00 0.30 C ATOM 1008 C LEU A2114 -0.408 10.956 -1.050 1.00 0.30 C ATOM 1009 O LEU A2114 0.144 11.305 -2.092 1.00 0.34 O ATOM 1010 CB LEU A2114 -1.389 8.667 -1.079 1.00 0.32 C ATOM 1011 CG LEU A2114 -2.608 7.753 -1.184 1.00 0.46 C ATOM 1012 CD1 LEU A2114 -2.180 6.301 -1.276 1.00 1.25 C ATOM 1013 CD2 LEU A2114 -3.528 7.975 0.003 1.00 0.91 C ATOM 0 H LEU A2114 -1.952 10.467 -3.131 1.00 0.30 H new ATOM 0 HA LEU A2114 -2.285 10.431 -0.200 1.00 0.30 H new ATOM 0 HB2 LEU A2114 -0.718 8.450 -1.910 1.00 0.32 H new ATOM 0 HB3 LEU A2114 -0.850 8.426 -0.162 1.00 0.32 H new ATOM 0 HG LEU A2114 -3.155 7.998 -2.095 1.00 0.46 H new ATOM 0 HD11 LEU A2114 -3.062 5.666 -1.350 1.00 1.25 H new ATOM 0 HD12 LEU A2114 -1.557 6.161 -2.159 1.00 1.25 H new ATOM 0 HD13 LEU A2114 -1.613 6.032 -0.385 1.00 1.25 H new ATOM 0 HD21 LEU A2114 -4.394 7.319 -0.081 1.00 0.91 H new ATOM 0 HD22 LEU A2114 -2.992 7.752 0.926 1.00 0.91 H new ATOM 0 HD23 LEU A2114 -3.859 9.013 0.017 1.00 0.91 H new ATOM 1025 N PRO A2115 0.099 11.239 0.155 1.00 0.29 N ATOM 1026 CA PRO A2115 1.359 11.957 0.339 1.00 0.31 C ATOM 1027 C PRO A2115 2.562 11.045 0.132 1.00 0.28 C ATOM 1028 O PRO A2115 2.465 9.827 0.296 1.00 0.25 O ATOM 1029 CB PRO A2115 1.289 12.384 1.801 1.00 0.33 C ATOM 1030 CG PRO A2115 0.531 11.284 2.452 1.00 0.29 C ATOM 1031 CD PRO A2115 -0.513 10.869 1.450 1.00 0.30 C ATOM 0 HA PRO A2115 1.479 12.778 -0.368 1.00 0.31 H new ATOM 0 HB2 PRO A2115 2.283 12.496 2.234 1.00 0.33 H new ATOM 0 HB3 PRO A2115 0.782 13.342 1.915 1.00 0.33 H new ATOM 0 HG2 PRO A2115 1.187 10.451 2.704 1.00 0.29 H new ATOM 0 HG3 PRO A2115 0.072 11.620 3.382 1.00 0.29 H new ATOM 0 HD2 PRO A2115 -0.723 9.801 1.506 1.00 0.30 H new ATOM 0 HD3 PRO A2115 -1.457 11.389 1.613 1.00 0.30 H new ATOM 1039 N PRO A2116 3.721 11.616 -0.216 1.00 0.33 N ATOM 1040 CA PRO A2116 4.956 10.852 -0.340 1.00 0.36 C ATOM 1041 C PRO A2116 5.554 10.524 1.028 1.00 0.34 C ATOM 1042 O PRO A2116 6.623 9.923 1.130 1.00 0.43 O ATOM 1043 CB PRO A2116 5.864 11.789 -1.137 1.00 0.44 C ATOM 1044 CG PRO A2116 5.403 13.157 -0.768 1.00 0.46 C ATOM 1045 CD PRO A2116 3.919 13.047 -0.527 1.00 0.43 C ATOM 0 HA PRO A2116 4.812 9.885 -0.821 1.00 0.36 H new ATOM 0 HB2 PRO A2116 6.913 11.640 -0.879 1.00 0.44 H new ATOM 0 HB3 PRO A2116 5.772 11.615 -2.209 1.00 0.44 H new ATOM 0 HG2 PRO A2116 5.917 13.514 0.124 1.00 0.46 H new ATOM 0 HG3 PRO A2116 5.617 13.869 -1.565 1.00 0.46 H new ATOM 0 HD2 PRO A2116 3.599 13.684 0.297 1.00 0.43 H new ATOM 0 HD3 PRO A2116 3.347 13.349 -1.404 1.00 0.43 H new ATOM 1053 N THR A2117 4.840 10.922 2.078 1.00 0.27 N ATOM 1054 CA THR A2117 5.275 10.681 3.442 1.00 0.24 C ATOM 1055 C THR A2117 4.576 9.472 4.061 1.00 0.17 C ATOM 1056 O THR A2117 4.853 9.125 5.205 1.00 0.15 O ATOM 1057 CB THR A2117 5.019 11.912 4.325 1.00 0.27 C ATOM 1058 OG1 THR A2117 3.696 12.416 4.087 1.00 0.32 O ATOM 1059 CG2 THR A2117 6.038 12.999 4.044 1.00 0.36 C ATOM 0 H THR A2117 3.951 11.417 2.004 1.00 0.27 H new ATOM 0 HA THR A2117 6.345 10.477 3.395 1.00 0.24 H new ATOM 0 HB THR A2117 5.112 11.611 5.369 1.00 0.27 H new ATOM 0 HG1 THR A2117 3.538 13.200 4.654 1.00 0.32 H new ATOM 0 HG21 THR A2117 5.836 13.860 4.681 1.00 0.36 H new ATOM 0 HG22 THR A2117 7.039 12.621 4.251 1.00 0.36 H new ATOM 0 HG23 THR A2117 5.972 13.298 2.998 1.00 0.36 H new ATOM 1067 N LEU A2118 3.661 8.853 3.307 1.00 0.16 N ATOM 1068 CA LEU A2118 2.969 7.632 3.744 1.00 0.16 C ATOM 1069 C LEU A2118 3.881 6.688 4.497 1.00 0.16 C ATOM 1070 O LEU A2118 3.665 6.380 5.665 1.00 0.19 O ATOM 1071 CB LEU A2118 2.460 6.856 2.543 1.00 0.23 C ATOM 1072 CG LEU A2118 1.188 7.352 1.899 1.00 0.33 C ATOM 1073 CD1 LEU A2118 0.818 6.395 0.787 1.00 0.79 C ATOM 1074 CD2 LEU A2118 0.081 7.449 2.935 1.00 0.77 C ATOM 0 H LEU A2118 3.380 9.180 2.383 1.00 0.16 H new ATOM 0 HA LEU A2118 2.159 7.966 4.392 1.00 0.16 H new ATOM 0 HB2 LEU A2118 3.244 6.850 1.786 1.00 0.23 H new ATOM 0 HB3 LEU A2118 2.305 5.821 2.849 1.00 0.23 H new ATOM 0 HG LEU A2118 1.333 8.349 1.484 1.00 0.33 H new ATOM 0 HD11 LEU A2118 -0.100 6.733 0.306 1.00 0.79 H new ATOM 0 HD12 LEU A2118 1.622 6.363 0.052 1.00 0.79 H new ATOM 0 HD13 LEU A2118 0.665 5.398 1.201 1.00 0.79 H new ATOM 0 HD21 LEU A2118 -0.832 7.808 2.460 1.00 0.77 H new ATOM 0 HD22 LEU A2118 -0.098 6.465 3.369 1.00 0.77 H new ATOM 0 HD23 LEU A2118 0.378 8.144 3.721 1.00 0.77 H new ATOM 1086 N ILE A2119 4.884 6.229 3.777 1.00 0.15 N ATOM 1087 CA ILE A2119 5.824 5.228 4.262 1.00 0.18 C ATOM 1088 C ILE A2119 6.520 5.679 5.547 1.00 0.20 C ATOM 1089 O ILE A2119 6.968 4.860 6.341 1.00 0.28 O ATOM 1090 CB ILE A2119 6.892 4.935 3.188 1.00 0.19 C ATOM 1091 CG1 ILE A2119 6.271 4.909 1.783 1.00 0.19 C ATOM 1092 CG2 ILE A2119 7.604 3.626 3.482 1.00 0.24 C ATOM 1093 CD1 ILE A2119 5.082 3.987 1.621 1.00 0.20 C ATOM 0 H ILE A2119 5.075 6.542 2.825 1.00 0.15 H new ATOM 0 HA ILE A2119 5.252 4.325 4.477 1.00 0.18 H new ATOM 0 HB ILE A2119 7.626 5.740 3.217 1.00 0.19 H new ATOM 0 HG12 ILE A2119 5.964 5.921 1.520 1.00 0.19 H new ATOM 0 HG13 ILE A2119 7.040 4.613 1.069 1.00 0.19 H new ATOM 0 HG21 ILE A2119 8.353 3.438 2.713 1.00 0.24 H new ATOM 0 HG22 ILE A2119 8.091 3.687 4.455 1.00 0.24 H new ATOM 0 HG23 ILE A2119 6.880 2.812 3.489 1.00 0.24 H new ATOM 0 HD11 ILE A2119 4.717 4.041 0.595 1.00 0.20 H new ATOM 0 HD12 ILE A2119 5.382 2.964 1.846 1.00 0.20 H new ATOM 0 HD13 ILE A2119 4.290 4.292 2.305 1.00 0.20 H new ATOM 1105 N PHE A2120 6.603 6.984 5.739 1.00 0.17 N ATOM 1106 CA PHE A2120 7.242 7.555 6.904 1.00 0.19 C ATOM 1107 C PHE A2120 6.264 7.661 8.071 1.00 0.20 C ATOM 1108 O PHE A2120 6.631 7.451 9.227 1.00 0.26 O ATOM 1109 CB PHE A2120 7.797 8.921 6.529 1.00 0.19 C ATOM 1110 CG PHE A2120 9.005 8.810 5.656 1.00 0.24 C ATOM 1111 CD1 PHE A2120 10.119 8.095 6.061 1.00 0.31 C ATOM 1112 CD2 PHE A2120 9.033 9.458 4.437 1.00 0.27 C ATOM 1113 CE1 PHE A2120 11.240 8.027 5.255 1.00 0.37 C ATOM 1114 CE2 PHE A2120 10.141 9.392 3.629 1.00 0.34 C ATOM 1115 CZ PHE A2120 11.238 8.527 4.038 1.00 0.38 C ATOM 0 H PHE A2120 6.228 7.675 5.089 1.00 0.17 H new ATOM 0 HA PHE A2120 8.055 6.906 7.230 1.00 0.19 H new ATOM 0 HB2 PHE A2120 7.028 9.497 6.014 1.00 0.19 H new ATOM 0 HB3 PHE A2120 8.053 9.470 7.435 1.00 0.19 H new ATOM 0 HD1 PHE A2120 10.112 7.587 7.014 1.00 0.31 H new ATOM 0 HD2 PHE A2120 8.172 10.024 4.115 1.00 0.27 H new ATOM 0 HE1 PHE A2120 12.135 7.554 5.632 1.00 0.37 H new ATOM 0 HE2 PHE A2120 10.197 9.966 2.716 1.00 0.34 H new ATOM 0 HZ PHE A2120 12.040 8.299 3.351 1.00 0.38 H new ATOM 1125 N ASP A2121 5.016 7.978 7.753 1.00 0.17 N ATOM 1126 CA ASP A2121 3.966 8.122 8.752 1.00 0.22 C ATOM 1127 C ASP A2121 3.423 6.767 9.187 1.00 0.20 C ATOM 1128 O ASP A2121 3.013 6.587 10.332 1.00 0.29 O ATOM 1129 CB ASP A2121 2.827 8.965 8.184 1.00 0.29 C ATOM 1130 CG ASP A2121 3.095 10.456 8.246 1.00 0.74 C ATOM 1131 OD1 ASP A2121 2.562 11.116 9.159 1.00 1.34 O ATOM 1132 OD2 ASP A2121 3.809 10.977 7.365 1.00 0.88 O ATOM 0 H ASP A2121 4.703 8.142 6.796 1.00 0.17 H new ATOM 0 HA ASP A2121 4.397 8.614 9.624 1.00 0.22 H new ATOM 0 HB2 ASP A2121 2.653 8.677 7.147 1.00 0.29 H new ATOM 0 HB3 ASP A2121 1.912 8.744 8.734 1.00 0.29 H new ATOM 1137 N HIS A2122 3.419 5.821 8.262 1.00 0.14 N ATOM 1138 CA HIS A2122 2.891 4.485 8.507 1.00 0.14 C ATOM 1139 C HIS A2122 3.833 3.467 7.897 1.00 0.14 C ATOM 1140 O HIS A2122 3.566 2.925 6.824 1.00 0.14 O ATOM 1141 CB HIS A2122 1.510 4.308 7.871 1.00 0.16 C ATOM 1142 CG HIS A2122 0.503 5.339 8.265 1.00 0.24 C ATOM 1143 ND1 HIS A2122 -0.338 5.196 9.344 1.00 0.34 N ATOM 1144 CD2 HIS A2122 0.196 6.533 7.704 1.00 0.30 C ATOM 1145 CE1 HIS A2122 -1.119 6.254 9.432 1.00 0.43 C ATOM 1146 NE2 HIS A2122 -0.817 7.081 8.448 1.00 0.40 N ATOM 0 H HIS A2122 3.782 5.956 7.318 1.00 0.14 H new ATOM 0 HA HIS A2122 2.802 4.344 9.584 1.00 0.14 H new ATOM 0 HB2 HIS A2122 1.620 4.323 6.787 1.00 0.16 H new ATOM 0 HB3 HIS A2122 1.126 3.324 8.138 1.00 0.16 H new ATOM 0 HD2 HIS A2122 0.662 6.971 6.834 1.00 0.30 H new ATOM 0 HE1 HIS A2122 -1.878 6.417 10.183 1.00 0.43 H new ATOM 0 HE2 HIS A2122 -1.264 7.980 8.270 1.00 0.40 H new ATOM 1155 N PRO A2123 4.955 3.196 8.553 1.00 0.16 N ATOM 1156 CA PRO A2123 5.969 2.347 7.997 1.00 0.17 C ATOM 1157 C PRO A2123 5.789 0.898 8.404 1.00 0.15 C ATOM 1158 O PRO A2123 6.099 0.515 9.528 1.00 0.19 O ATOM 1159 CB PRO A2123 7.242 2.919 8.633 1.00 0.20 C ATOM 1160 CG PRO A2123 6.793 3.723 9.823 1.00 0.25 C ATOM 1161 CD PRO A2123 5.292 3.637 9.879 1.00 0.20 C ATOM 0 HA PRO A2123 5.964 2.338 6.907 1.00 0.17 H new ATOM 0 HB2 PRO A2123 7.918 2.120 8.936 1.00 0.20 H new ATOM 0 HB3 PRO A2123 7.785 3.544 7.924 1.00 0.20 H new ATOM 0 HG2 PRO A2123 7.235 3.333 10.740 1.00 0.25 H new ATOM 0 HG3 PRO A2123 7.116 4.760 9.730 1.00 0.25 H new ATOM 0 HD2 PRO A2123 4.954 2.932 10.639 1.00 0.20 H new ATOM 0 HD3 PRO A2123 4.839 4.600 10.114 1.00 0.20 H new ATOM 1169 N THR A2124 5.259 0.141 7.459 1.00 0.12 N ATOM 1170 CA THR A2124 5.259 -1.313 7.377 1.00 0.10 C ATOM 1171 C THR A2124 4.276 -1.652 6.278 1.00 0.10 C ATOM 1172 O THR A2124 3.365 -0.851 6.043 1.00 0.11 O ATOM 1173 CB THR A2124 4.859 -2.060 8.670 1.00 0.10 C ATOM 1174 OG1 THR A2124 3.821 -1.368 9.365 1.00 0.13 O ATOM 1175 CG2 THR A2124 6.055 -2.249 9.570 1.00 0.11 C ATOM 0 H THR A2124 4.778 0.560 6.663 1.00 0.12 H new ATOM 0 HA THR A2124 6.282 -1.641 7.190 1.00 0.10 H new ATOM 0 HB THR A2124 4.481 -3.041 8.383 1.00 0.10 H new ATOM 0 HG1 THR A2124 3.278 -2.011 9.867 1.00 0.13 H new ATOM 0 HG21 THR A2124 5.750 -2.777 10.474 1.00 0.11 H new ATOM 0 HG22 THR A2124 6.815 -2.831 9.048 1.00 0.11 H new ATOM 0 HG23 THR A2124 6.465 -1.276 9.839 1.00 0.11 H new ATOM 1183 N PRO A2125 4.395 -2.772 5.568 1.00 0.11 N ATOM 1184 CA PRO A2125 3.342 -3.162 4.643 1.00 0.12 C ATOM 1185 C PRO A2125 1.999 -3.234 5.372 1.00 0.13 C ATOM 1186 O PRO A2125 0.970 -2.830 4.834 1.00 0.14 O ATOM 1187 CB PRO A2125 3.782 -4.533 4.136 1.00 0.12 C ATOM 1188 CG PRO A2125 5.261 -4.549 4.338 1.00 0.12 C ATOM 1189 CD PRO A2125 5.532 -3.705 5.555 1.00 0.11 C ATOM 0 HA PRO A2125 3.202 -2.454 3.827 1.00 0.12 H new ATOM 0 HB2 PRO A2125 3.297 -5.336 4.691 1.00 0.12 H new ATOM 0 HB3 PRO A2125 3.523 -4.670 3.086 1.00 0.12 H new ATOM 0 HG2 PRO A2125 5.622 -5.567 4.483 1.00 0.12 H new ATOM 0 HG3 PRO A2125 5.777 -4.149 3.465 1.00 0.12 H new ATOM 0 HD2 PRO A2125 5.571 -4.307 6.463 1.00 0.11 H new ATOM 0 HD3 PRO A2125 6.484 -3.180 5.479 1.00 0.11 H new ATOM 1197 N HIS A2126 2.037 -3.687 6.632 1.00 0.13 N ATOM 1198 CA HIS A2126 0.838 -3.770 7.459 1.00 0.15 C ATOM 1199 C HIS A2126 0.299 -2.388 7.829 1.00 0.14 C ATOM 1200 O HIS A2126 -0.901 -2.172 7.739 1.00 0.16 O ATOM 1201 CB HIS A2126 1.116 -4.610 8.711 1.00 0.18 C ATOM 1202 CG HIS A2126 0.027 -4.560 9.742 1.00 0.26 C ATOM 1203 ND1 HIS A2126 -1.160 -5.251 9.620 1.00 0.35 N ATOM 1204 CD2 HIS A2126 -0.055 -3.881 10.912 1.00 0.33 C ATOM 1205 CE1 HIS A2126 -1.923 -4.995 10.664 1.00 0.42 C ATOM 1206 NE2 HIS A2126 -1.277 -4.168 11.462 1.00 0.40 N ATOM 0 H HIS A2126 2.889 -4.001 7.097 1.00 0.13 H new ATOM 0 HA HIS A2126 0.062 -4.262 6.873 1.00 0.15 H new ATOM 0 HB2 HIS A2126 1.270 -5.647 8.412 1.00 0.18 H new ATOM 0 HB3 HIS A2126 2.046 -4.268 9.165 1.00 0.18 H new ATOM 0 HD2 HIS A2126 0.701 -3.235 11.332 1.00 0.33 H new ATOM 0 HE1 HIS A2126 -2.911 -5.395 10.837 1.00 0.42 H new ATOM 0 HE2 HIS A2126 -1.630 -3.801 12.346 1.00 0.40 H new ATOM 1215 N ALA A2127 1.167 -1.457 8.240 1.00 0.13 N ATOM 1216 CA ALA A2127 0.712 -0.102 8.596 1.00 0.12 C ATOM 1217 C ALA A2127 -0.055 0.526 7.441 1.00 0.11 C ATOM 1218 O ALA A2127 -1.072 1.196 7.639 1.00 0.11 O ATOM 1219 CB ALA A2127 1.881 0.803 8.993 1.00 0.13 C ATOM 0 H ALA A2127 2.171 -1.609 8.334 1.00 0.13 H new ATOM 0 HA ALA A2127 0.051 -0.200 9.457 1.00 0.12 H new ATOM 0 HB1 ALA A2127 1.504 1.793 9.248 1.00 0.13 H new ATOM 0 HB2 ALA A2127 2.395 0.377 9.855 1.00 0.13 H new ATOM 0 HB3 ALA A2127 2.578 0.884 8.159 1.00 0.13 H new ATOM 1225 N LEU A2128 0.429 0.298 6.233 1.00 0.11 N ATOM 1226 CA LEU A2128 -0.239 0.793 5.052 1.00 0.11 C ATOM 1227 C LEU A2128 -1.485 -0.016 4.735 1.00 0.13 C ATOM 1228 O LEU A2128 -2.445 0.518 4.185 1.00 0.14 O ATOM 1229 CB LEU A2128 0.715 0.786 3.876 1.00 0.11 C ATOM 1230 CG LEU A2128 1.811 1.836 3.948 1.00 0.11 C ATOM 1231 CD1 LEU A2128 2.620 1.804 2.673 1.00 0.12 C ATOM 1232 CD2 LEU A2128 1.218 3.222 4.187 1.00 0.12 C ATOM 0 H LEU A2128 1.283 -0.228 6.048 1.00 0.11 H new ATOM 0 HA LEU A2128 -0.556 1.817 5.247 1.00 0.11 H new ATOM 0 HB2 LEU A2128 1.177 -0.199 3.805 1.00 0.11 H new ATOM 0 HB3 LEU A2128 0.144 0.937 2.960 1.00 0.11 H new ATOM 0 HG LEU A2128 2.468 1.612 4.789 1.00 0.11 H new ATOM 0 HD11 LEU A2128 3.407 2.557 2.722 1.00 0.12 H new ATOM 0 HD12 LEU A2128 3.068 0.818 2.551 1.00 0.12 H new ATOM 0 HD13 LEU A2128 1.970 2.014 1.824 1.00 0.12 H new ATOM 0 HD21 LEU A2128 2.021 3.958 4.235 1.00 0.12 H new ATOM 0 HD22 LEU A2128 0.543 3.475 3.370 1.00 0.12 H new ATOM 0 HD23 LEU A2128 0.667 3.225 5.127 1.00 0.12 H new ATOM 1244 N THR A2129 -1.485 -1.290 5.111 1.00 0.15 N ATOM 1245 CA THR A2129 -2.659 -2.126 4.925 1.00 0.17 C ATOM 1246 C THR A2129 -3.822 -1.524 5.695 1.00 0.17 C ATOM 1247 O THR A2129 -4.983 -1.625 5.303 1.00 0.20 O ATOM 1248 CB THR A2129 -2.429 -3.579 5.404 1.00 0.19 C ATOM 1249 OG1 THR A2129 -1.252 -4.130 4.803 1.00 0.24 O ATOM 1250 CG2 THR A2129 -3.616 -4.459 5.052 1.00 0.18 C ATOM 0 H THR A2129 -0.690 -1.761 5.543 1.00 0.15 H new ATOM 0 HA THR A2129 -2.875 -2.163 3.857 1.00 0.17 H new ATOM 0 HB THR A2129 -2.307 -3.551 6.487 1.00 0.19 H new ATOM 0 HG1 THR A2129 -0.587 -3.421 4.676 1.00 0.24 H new ATOM 0 HG21 THR A2129 -3.431 -5.476 5.399 1.00 0.18 H new ATOM 0 HG22 THR A2129 -4.513 -4.069 5.533 1.00 0.18 H new ATOM 0 HG23 THR A2129 -3.757 -4.464 3.971 1.00 0.18 H new ATOM 1258 N GLN A2130 -3.482 -0.863 6.786 1.00 0.17 N ATOM 1259 CA GLN A2130 -4.475 -0.227 7.618 1.00 0.18 C ATOM 1260 C GLN A2130 -4.882 1.116 7.018 1.00 0.17 C ATOM 1261 O GLN A2130 -6.071 1.406 6.865 1.00 0.20 O ATOM 1262 CB GLN A2130 -3.939 -0.011 9.037 1.00 0.22 C ATOM 1263 CG GLN A2130 -2.894 -1.027 9.476 1.00 0.28 C ATOM 1264 CD GLN A2130 -2.460 -0.818 10.911 1.00 0.79 C ATOM 1265 OE1 GLN A2130 -1.508 -0.084 11.182 1.00 1.66 O ATOM 1266 NE2 GLN A2130 -3.146 -1.461 11.839 1.00 1.13 N ATOM 0 H GLN A2130 -2.522 -0.755 7.114 1.00 0.17 H new ATOM 0 HA GLN A2130 -5.345 -0.882 7.667 1.00 0.18 H new ATOM 0 HB2 GLN A2130 -3.507 0.988 9.101 1.00 0.22 H new ATOM 0 HB3 GLN A2130 -4.774 -0.042 9.736 1.00 0.22 H new ATOM 0 HG2 GLN A2130 -3.298 -2.033 9.363 1.00 0.28 H new ATOM 0 HG3 GLN A2130 -2.025 -0.958 8.822 1.00 0.28 H new ATOM 0 HE21 GLN A2130 -3.928 -2.059 11.572 1.00 1.13 H new ATOM 0 HE22 GLN A2130 -2.894 -1.359 12.822 1.00 1.13 H new ATOM 1275 N HIS A2131 -3.886 1.929 6.660 1.00 0.16 N ATOM 1276 CA HIS A2131 -4.145 3.272 6.157 1.00 0.18 C ATOM 1277 C HIS A2131 -4.899 3.238 4.833 1.00 0.18 C ATOM 1278 O HIS A2131 -5.922 3.902 4.685 1.00 0.19 O ATOM 1279 CB HIS A2131 -2.840 4.053 6.000 1.00 0.23 C ATOM 1280 CG HIS A2131 -3.050 5.476 5.575 1.00 0.26 C ATOM 1281 ND1 HIS A2131 -3.715 6.403 6.348 1.00 0.32 N ATOM 1282 CD2 HIS A2131 -2.705 6.117 4.436 1.00 0.27 C ATOM 1283 CE1 HIS A2131 -3.773 7.552 5.702 1.00 0.35 C ATOM 1284 NE2 HIS A2131 -3.165 7.408 4.538 1.00 0.31 N ATOM 0 H HIS A2131 -2.898 1.679 6.710 1.00 0.16 H new ATOM 0 HA HIS A2131 -4.773 3.779 6.890 1.00 0.18 H new ATOM 0 HB2 HIS A2131 -2.300 4.039 6.947 1.00 0.23 H new ATOM 0 HB3 HIS A2131 -2.210 3.551 5.266 1.00 0.23 H new ATOM 0 HD2 HIS A2131 -2.167 5.693 3.601 1.00 0.27 H new ATOM 0 HE1 HIS A2131 -4.239 8.457 6.064 1.00 0.35 H new ATOM 0 HE2 HIS A2131 -3.055 8.135 3.831 1.00 0.31 H new ATOM 1293 N LEU A2132 -4.397 2.474 3.872 1.00 0.19 N ATOM 1294 CA LEU A2132 -5.047 2.379 2.571 1.00 0.21 C ATOM 1295 C LEU A2132 -6.435 1.767 2.684 1.00 0.21 C ATOM 1296 O LEU A2132 -7.331 2.122 1.919 1.00 0.26 O ATOM 1297 CB LEU A2132 -4.198 1.586 1.572 1.00 0.26 C ATOM 1298 CG LEU A2132 -3.027 2.357 0.953 1.00 0.41 C ATOM 1299 CD1 LEU A2132 -3.452 3.767 0.602 1.00 1.13 C ATOM 1300 CD2 LEU A2132 -1.829 2.387 1.883 1.00 0.64 C ATOM 0 H LEU A2132 -3.549 1.915 3.967 1.00 0.19 H new ATOM 0 HA LEU A2132 -5.151 3.397 2.196 1.00 0.21 H new ATOM 0 HB2 LEU A2132 -3.805 0.702 2.075 1.00 0.26 H new ATOM 0 HB3 LEU A2132 -4.845 1.234 0.769 1.00 0.26 H new ATOM 0 HG LEU A2132 -2.731 1.837 0.042 1.00 0.41 H new ATOM 0 HD11 LEU A2132 -2.610 4.302 0.163 1.00 1.13 H new ATOM 0 HD12 LEU A2132 -4.273 3.732 -0.115 1.00 1.13 H new ATOM 0 HD13 LEU A2132 -3.780 4.283 1.504 1.00 1.13 H new ATOM 0 HD21 LEU A2132 -1.017 2.942 1.413 1.00 0.64 H new ATOM 0 HD22 LEU A2132 -2.106 2.873 2.818 1.00 0.64 H new ATOM 0 HD23 LEU A2132 -1.501 1.368 2.087 1.00 0.64 H new ATOM 1312 N HIS A2133 -6.631 0.878 3.651 1.00 0.20 N ATOM 1313 CA HIS A2133 -7.942 0.285 3.848 1.00 0.21 C ATOM 1314 C HIS A2133 -8.895 1.343 4.365 1.00 0.21 C ATOM 1315 O HIS A2133 -10.072 1.367 4.007 1.00 0.27 O ATOM 1316 CB HIS A2133 -7.905 -0.897 4.819 1.00 0.21 C ATOM 1317 CG HIS A2133 -9.217 -1.616 4.865 1.00 0.24 C ATOM 1318 ND1 HIS A2133 -9.878 -1.917 6.032 1.00 0.27 N ATOM 1319 CD2 HIS A2133 -10.010 -2.058 3.859 1.00 0.29 C ATOM 1320 CE1 HIS A2133 -11.023 -2.511 5.746 1.00 0.30 C ATOM 1321 NE2 HIS A2133 -11.130 -2.608 4.432 1.00 0.31 N ATOM 0 H HIS A2133 -5.911 0.558 4.299 1.00 0.20 H new ATOM 0 HA HIS A2133 -8.283 -0.098 2.886 1.00 0.21 H new ATOM 0 HB2 HIS A2133 -7.120 -1.591 4.518 1.00 0.21 H new ATOM 0 HB3 HIS A2133 -7.650 -0.540 5.817 1.00 0.21 H new ATOM 0 HD2 HIS A2133 -9.800 -1.990 2.802 1.00 0.29 H new ATOM 0 HE1 HIS A2133 -11.750 -2.859 6.465 1.00 0.30 H new ATOM 0 HE2 HIS A2133 -11.914 -3.022 3.928 1.00 0.31 H new ATOM 1330 N THR A2134 -8.375 2.216 5.205 1.00 0.18 N ATOM 1331 CA THR A2134 -9.147 3.323 5.718 1.00 0.22 C ATOM 1332 C THR A2134 -9.491 4.289 4.588 1.00 0.26 C ATOM 1333 O THR A2134 -10.650 4.631 4.385 1.00 0.34 O ATOM 1334 CB THR A2134 -8.377 4.064 6.826 1.00 0.26 C ATOM 1335 OG1 THR A2134 -7.964 3.133 7.835 1.00 0.27 O ATOM 1336 CG2 THR A2134 -9.234 5.151 7.459 1.00 0.36 C ATOM 0 H THR A2134 -7.415 2.177 5.547 1.00 0.18 H new ATOM 0 HA THR A2134 -10.068 2.927 6.146 1.00 0.22 H new ATOM 0 HB THR A2134 -7.503 4.534 6.375 1.00 0.26 H new ATOM 0 HG1 THR A2134 -7.267 2.547 7.474 1.00 0.27 H new ATOM 0 HG21 THR A2134 -8.663 5.657 8.238 1.00 0.36 H new ATOM 0 HG22 THR A2134 -9.527 5.873 6.697 1.00 0.36 H new ATOM 0 HG23 THR A2134 -10.126 4.703 7.896 1.00 0.36 H new ATOM 1344 N ARG A2135 -8.476 4.672 3.823 1.00 0.27 N ATOM 1345 CA ARG A2135 -8.630 5.645 2.744 1.00 0.32 C ATOM 1346 C ARG A2135 -9.723 5.237 1.750 1.00 0.40 C ATOM 1347 O ARG A2135 -10.593 6.038 1.414 1.00 0.48 O ATOM 1348 CB ARG A2135 -7.301 5.814 2.005 1.00 0.29 C ATOM 1349 CG ARG A2135 -6.198 6.418 2.850 1.00 0.28 C ATOM 1350 CD ARG A2135 -6.469 7.881 3.142 1.00 0.33 C ATOM 1351 NE ARG A2135 -6.136 8.752 2.016 1.00 0.85 N ATOM 1352 CZ ARG A2135 -6.812 9.861 1.710 1.00 1.11 C ATOM 1353 NH1 ARG A2135 -7.915 10.177 2.376 1.00 1.32 N ATOM 1354 NH2 ARG A2135 -6.397 10.648 0.727 1.00 1.64 N ATOM 0 H ARG A2135 -7.525 4.319 3.931 1.00 0.27 H new ATOM 0 HA ARG A2135 -8.930 6.590 3.196 1.00 0.32 H new ATOM 0 HB2 ARG A2135 -6.973 4.840 1.640 1.00 0.29 H new ATOM 0 HB3 ARG A2135 -7.461 6.444 1.130 1.00 0.29 H new ATOM 0 HG2 ARG A2135 -6.111 5.868 3.787 1.00 0.28 H new ATOM 0 HG3 ARG A2135 -5.244 6.319 2.332 1.00 0.28 H new ATOM 0 HD2 ARG A2135 -7.522 8.008 3.395 1.00 0.33 H new ATOM 0 HD3 ARG A2135 -5.892 8.186 4.015 1.00 0.33 H new ATOM 0 HE ARG A2135 -5.341 8.497 1.430 1.00 0.85 H new ATOM 0 HH11 ARG A2135 -8.249 9.571 3.125 1.00 1.32 H new ATOM 0 HH12 ARG A2135 -8.429 11.026 2.139 1.00 1.32 H new ATOM 0 HH21 ARG A2135 -5.557 10.407 0.201 1.00 1.64 H new ATOM 0 HH22 ARG A2135 -6.917 11.495 0.497 1.00 1.64 H new ATOM 1368 N LEU A2136 -9.670 3.991 1.284 1.00 0.41 N ATOM 1369 CA LEU A2136 -10.609 3.485 0.295 1.00 0.51 C ATOM 1370 C LEU A2136 -12.041 3.486 0.805 1.00 0.58 C ATOM 1371 O LEU A2136 -12.979 3.746 0.051 1.00 0.85 O ATOM 1372 CB LEU A2136 -10.208 2.065 -0.092 1.00 0.54 C ATOM 1373 CG LEU A2136 -8.902 1.966 -0.868 1.00 0.54 C ATOM 1374 CD1 LEU A2136 -8.470 0.525 -1.036 1.00 0.97 C ATOM 1375 CD2 LEU A2136 -9.060 2.628 -2.219 1.00 0.75 C ATOM 0 H LEU A2136 -8.975 3.307 1.583 1.00 0.41 H new ATOM 0 HA LEU A2136 -10.571 4.147 -0.570 1.00 0.51 H new ATOM 0 HB2 LEU A2136 -10.124 1.465 0.814 1.00 0.54 H new ATOM 0 HB3 LEU A2136 -11.006 1.626 -0.691 1.00 0.54 H new ATOM 0 HG LEU A2136 -8.126 2.481 -0.301 1.00 0.54 H new ATOM 0 HD11 LEU A2136 -7.534 0.488 -1.594 1.00 0.97 H new ATOM 0 HD12 LEU A2136 -8.326 0.072 -0.055 1.00 0.97 H new ATOM 0 HD13 LEU A2136 -9.239 -0.024 -1.580 1.00 0.97 H new ATOM 0 HD21 LEU A2136 -8.123 2.555 -2.772 1.00 0.75 H new ATOM 0 HD22 LEU A2136 -9.851 2.129 -2.778 1.00 0.75 H new ATOM 0 HD23 LEU A2136 -9.320 3.678 -2.082 1.00 0.75 H new ATOM 1387 N THR A2137 -12.207 3.202 2.081 1.00 0.43 N ATOM 1388 CA THR A2137 -13.519 3.012 2.646 1.00 0.47 C ATOM 1389 C THR A2137 -14.097 4.317 3.183 1.00 0.54 C ATOM 1390 O THR A2137 -15.313 4.511 3.200 1.00 0.68 O ATOM 1391 CB THR A2137 -13.455 1.945 3.747 1.00 0.43 C ATOM 1392 OG1 THR A2137 -12.507 2.328 4.753 1.00 0.39 O ATOM 1393 CG2 THR A2137 -13.038 0.608 3.150 1.00 0.42 C ATOM 0 H THR A2137 -11.441 3.098 2.747 1.00 0.43 H new ATOM 0 HA THR A2137 -14.188 2.671 1.856 1.00 0.47 H new ATOM 0 HB THR A2137 -14.443 1.852 4.199 1.00 0.43 H new ATOM 0 HG1 THR A2137 -11.654 1.876 4.588 1.00 0.39 H new ATOM 0 HG21 THR A2137 -12.995 -0.144 3.937 1.00 0.42 H new ATOM 0 HG22 THR A2137 -13.765 0.303 2.397 1.00 0.42 H new ATOM 0 HG23 THR A2137 -12.056 0.706 2.688 1.00 0.42 H new