USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 522 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: A2108 THR OG1 : rot 180:sc= -0.661 USER MOD Set 1.2: A2122 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A2093 THR OG1 : rot -96:sc= 0.306 USER MOD Set 2.2: A2095 THR OG1 : rot 180:sc= 0.28 USER MOD Set 3.1: A2081 GLN : amide:sc= -0.25 K(o=1.6,f=-8.7!) USER MOD Set 3.2: A2084 TYR OH : rot -54:sc= 1.86 USER MOD Set 4.1: A2077 THR OG1 : rot 180:sc= 0.326 USER MOD Set 4.2: A2083 THR OG1 : rot -99:sc= 0.869 USER MOD Single : A2064 THR OG1 : rot 4:sc= 1.18 USER MOD Single : A2068 THR OG1 : rot 180:sc= 0 USER MOD Single : A2073 SER OG : rot 180:sc= -1.32 USER MOD Single : A2074 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0767) USER MOD Single : A2076 LYS NZ :NH3+ 151:sc= 1.15 (180deg=0.419) USER MOD Single : A2085 THR OG1 : rot 180:sc= 0 USER MOD Single : A2091 THR OG1 : rot 180:sc= 0 USER MOD Single : A2098 LYS NZ :NH3+ -147:sc= -1.39 (180deg=-3.07!) USER MOD Single : A2099 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A2103 LYS NZ :NH3+ 164:sc= 0.344 (180deg=-0.129) USER MOD Single : A2110 LYS NZ :NH3+ 180:sc= 1.23 (180deg=1.23) USER MOD Single : A2114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2115 ASN : amide:sc=-0.00766 K(o=-0.0077,f=-0.99) USER MOD Single : A2117 THR OG1 : rot 180:sc= 0 USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2123 TYR OH : rot 150:sc= 0 USER MOD Single : A2124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A2056 -7.922 8.876 2.008 1.00 1.08 N ATOM 33 CA ASP A2056 -8.456 10.223 2.097 1.00 1.00 C ATOM 34 C ASP A2056 -9.146 10.424 3.436 1.00 1.03 C ATOM 35 O ASP A2056 -10.057 9.677 3.789 1.00 1.04 O ATOM 36 CB ASP A2056 -9.455 10.499 0.978 1.00 1.12 C ATOM 37 CG ASP A2056 -9.627 11.985 0.744 1.00 1.80 C ATOM 38 OD1 ASP A2056 -10.284 12.650 1.572 1.00 2.41 O ATOM 39 OD2 ASP A2056 -9.087 12.500 -0.257 1.00 2.42 O ATOM 0 HA ASP A2056 -7.620 10.916 2.000 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -9.115 10.022 0.059 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -10.418 10.055 1.230 1.00 1.12 H new ATOM 44 N PRO A2057 -8.719 11.433 4.204 1.00 1.20 N ATOM 45 CA PRO A2057 -9.300 11.726 5.517 1.00 1.36 C ATOM 46 C PRO A2057 -10.735 12.243 5.422 1.00 1.24 C ATOM 47 O PRO A2057 -11.493 12.183 6.393 1.00 1.34 O ATOM 48 CB PRO A2057 -8.379 12.806 6.088 1.00 1.72 C ATOM 49 CG PRO A2057 -7.740 13.439 4.899 1.00 1.71 C ATOM 50 CD PRO A2057 -7.630 12.363 3.856 1.00 1.41 C ATOM 0 HA PRO A2057 -9.363 10.832 6.137 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -8.941 13.537 6.669 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -7.632 12.375 6.755 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -8.338 14.274 4.535 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -6.757 13.837 5.152 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -7.752 12.765 2.850 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -6.657 11.872 3.887 1.00 1.41 H new ATOM 58 N LEU A2058 -11.108 12.746 4.251 1.00 1.18 N ATOM 59 CA LEU A2058 -12.450 13.271 4.035 1.00 1.17 C ATOM 60 C LEU A2058 -13.307 12.246 3.307 1.00 1.00 C ATOM 61 O LEU A2058 -14.533 12.237 3.443 1.00 1.06 O ATOM 62 CB LEU A2058 -12.414 14.580 3.236 1.00 1.35 C ATOM 63 CG LEU A2058 -11.964 15.827 4.010 1.00 1.71 C ATOM 64 CD1 LEU A2058 -10.493 15.750 4.387 1.00 2.34 C ATOM 65 CD2 LEU A2058 -12.235 17.076 3.191 1.00 2.10 C ATOM 0 H LEU A2058 -10.498 12.801 3.435 1.00 1.18 H new ATOM 0 HA LEU A2058 -12.887 13.478 5.012 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -11.747 14.445 2.384 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -13.410 14.765 2.835 1.00 1.35 H new ATOM 0 HG LEU A2058 -12.540 15.874 4.934 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -10.210 16.650 4.934 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -10.324 14.875 5.015 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -9.889 15.670 3.483 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -11.912 17.955 3.750 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -11.685 17.021 2.251 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -13.302 17.150 2.983 1.00 2.10 H new ATOM 77 N VAL A2059 -12.659 11.383 2.536 1.00 0.86 N ATOM 78 CA VAL A2059 -13.357 10.330 1.811 1.00 0.74 C ATOM 79 C VAL A2059 -12.902 8.966 2.316 1.00 0.66 C ATOM 80 O VAL A2059 -12.018 8.346 1.723 1.00 0.62 O ATOM 81 CB VAL A2059 -13.104 10.399 0.286 1.00 0.75 C ATOM 82 CG1 VAL A2059 -14.115 9.547 -0.471 1.00 0.80 C ATOM 83 CG2 VAL A2059 -13.123 11.836 -0.209 1.00 0.87 C ATOM 0 H VAL A2059 -11.649 11.392 2.396 1.00 0.86 H new ATOM 0 HA VAL A2059 -14.423 10.474 1.988 1.00 0.74 H new ATOM 0 HB VAL A2059 -12.110 9.995 0.093 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -13.917 9.612 -1.541 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -14.030 8.509 -0.148 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -15.122 9.910 -0.266 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -12.942 11.853 -1.284 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -14.095 12.281 0.003 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -12.345 12.406 0.299 1.00 0.87 H new ATOM 93 N PRO A2060 -13.478 8.490 3.433 1.00 0.71 N ATOM 94 CA PRO A2060 -13.134 7.187 3.996 1.00 0.72 C ATOM 95 C PRO A2060 -13.263 6.079 2.961 1.00 0.59 C ATOM 96 O PRO A2060 -14.334 5.880 2.379 1.00 0.58 O ATOM 97 CB PRO A2060 -14.144 6.989 5.138 1.00 0.87 C ATOM 98 CG PRO A2060 -15.182 8.042 4.944 1.00 1.04 C ATOM 99 CD PRO A2060 -14.497 9.175 4.238 1.00 0.86 C ATOM 0 HA PRO A2060 -12.100 7.150 4.338 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -14.585 5.993 5.103 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -13.661 7.089 6.110 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -16.017 7.663 4.354 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -15.590 8.368 5.901 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -15.190 9.742 3.616 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -14.051 9.879 4.941 1.00 0.86 H new ATOM 107 N ILE A2061 -12.150 5.401 2.707 1.00 0.62 N ATOM 108 CA ILE A2061 -12.105 4.303 1.750 1.00 0.56 C ATOM 109 C ILE A2061 -13.229 3.305 2.013 1.00 0.51 C ATOM 110 O ILE A2061 -13.442 2.875 3.147 1.00 0.57 O ATOM 111 CB ILE A2061 -10.753 3.565 1.804 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.591 4.552 1.632 1.00 0.77 C ATOM 113 CG2 ILE A2061 -10.698 2.481 0.735 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.631 5.338 0.338 1.00 0.76 C ATOM 0 H ILE A2061 -11.256 5.596 3.157 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.231 4.738 0.759 1.00 0.56 H new ATOM 0 HB ILE A2061 -10.657 3.092 2.781 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.595 5.251 2.469 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -8.651 4.002 1.681 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -9.737 1.969 0.786 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -11.501 1.764 0.903 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -10.816 2.934 -0.249 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.775 6.012 0.295 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.594 4.650 -0.507 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.553 5.918 0.293 1.00 0.76 H new ATOM 126 N ASP A2062 -13.939 2.955 0.952 1.00 0.45 N ATOM 127 CA ASP A2062 -15.097 2.080 1.047 1.00 0.43 C ATOM 128 C ASP A2062 -14.668 0.658 1.406 1.00 0.43 C ATOM 129 O ASP A2062 -13.706 0.126 0.845 1.00 0.43 O ATOM 130 CB ASP A2062 -15.861 2.101 -0.279 1.00 0.44 C ATOM 131 CG ASP A2062 -17.178 1.361 -0.213 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.235 2.012 -0.314 1.00 1.42 O ATOM 133 OD2 ASP A2062 -17.168 0.130 -0.063 1.00 1.40 O ATOM 0 H ASP A2062 -13.730 3.268 0.004 1.00 0.45 H new ATOM 0 HA ASP A2062 -15.754 2.439 1.839 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.046 3.135 -0.569 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.240 1.658 -1.057 1.00 0.44 H new ATOM 138 N GLU A2063 -15.378 0.045 2.344 1.00 0.47 N ATOM 139 CA GLU A2063 -14.986 -1.256 2.873 1.00 0.52 C ATOM 140 C GLU A2063 -15.744 -2.400 2.199 1.00 0.51 C ATOM 141 O GLU A2063 -15.578 -3.565 2.561 1.00 0.58 O ATOM 142 CB GLU A2063 -15.200 -1.286 4.382 1.00 0.64 C ATOM 143 CG GLU A2063 -14.436 -0.192 5.108 1.00 0.72 C ATOM 144 CD GLU A2063 -14.608 -0.250 6.608 1.00 0.87 C ATOM 145 OE1 GLU A2063 -13.771 -0.891 7.279 1.00 1.55 O ATOM 146 OE2 GLU A2063 -15.574 0.353 7.126 1.00 1.30 O ATOM 0 H GLU A2063 -16.229 0.428 2.755 1.00 0.47 H new ATOM 0 HA GLU A2063 -13.928 -1.401 2.655 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -16.264 -1.182 4.595 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -14.890 -2.257 4.769 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -13.376 -0.274 4.866 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -14.772 0.780 4.746 1.00 0.72 H new ATOM 153 N THR A2064 -16.572 -2.068 1.224 1.00 0.49 N ATOM 154 CA THR A2064 -17.240 -3.076 0.414 1.00 0.54 C ATOM 155 C THR A2064 -16.652 -3.052 -0.990 1.00 0.50 C ATOM 156 O THR A2064 -17.082 -3.773 -1.892 1.00 0.59 O ATOM 157 CB THR A2064 -18.767 -2.850 0.356 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.074 -1.543 -0.149 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.383 -3.009 1.733 1.00 0.69 C ATOM 0 H THR A2064 -16.799 -1.106 0.972 1.00 0.49 H new ATOM 0 HA THR A2064 -17.077 -4.051 0.874 1.00 0.54 H new ATOM 0 HB THR A2064 -19.185 -3.599 -0.317 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.245 -1.088 -0.404 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.459 -2.846 1.671 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.189 -4.015 2.104 1.00 0.69 H new ATOM 0 HG23 THR A2064 -18.944 -2.280 2.414 1.00 0.69 H new ATOM 167 N VAL A2065 -15.653 -2.203 -1.140 1.00 0.44 N ATOM 168 CA VAL A2065 -14.958 -1.991 -2.388 1.00 0.43 C ATOM 169 C VAL A2065 -13.753 -2.929 -2.485 1.00 0.37 C ATOM 170 O VAL A2065 -13.368 -3.533 -1.486 1.00 0.46 O ATOM 171 CB VAL A2065 -14.540 -0.503 -2.438 1.00 0.48 C ATOM 172 CG1 VAL A2065 -13.093 -0.308 -2.847 1.00 0.82 C ATOM 173 CG2 VAL A2065 -15.478 0.267 -3.347 1.00 0.57 C ATOM 0 H VAL A2065 -15.296 -1.629 -0.376 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.598 -2.216 -3.241 1.00 0.43 H new ATOM 0 HB VAL A2065 -14.619 -0.109 -1.425 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -12.860 0.757 -2.864 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -12.442 -0.811 -2.132 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -12.936 -0.729 -3.840 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -15.177 1.314 -3.377 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -15.436 -0.152 -4.352 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -16.496 0.193 -2.966 1.00 0.57 H new ATOM 183 N GLU A2066 -13.189 -3.075 -3.688 1.00 0.34 N ATOM 184 CA GLU A2066 -11.999 -3.896 -3.896 1.00 0.32 C ATOM 185 C GLU A2066 -10.729 -3.154 -3.474 1.00 0.26 C ATOM 186 O GLU A2066 -10.331 -2.168 -4.111 1.00 0.28 O ATOM 187 CB GLU A2066 -11.861 -4.294 -5.368 1.00 0.40 C ATOM 188 CG GLU A2066 -10.586 -5.077 -5.653 1.00 0.43 C ATOM 189 CD GLU A2066 -10.188 -5.067 -7.114 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.507 -4.111 -7.544 1.00 0.68 O ATOM 191 OE2 GLU A2066 -10.527 -6.023 -7.838 1.00 0.78 O ATOM 0 H GLU A2066 -13.543 -2.631 -4.535 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.118 -4.788 -3.281 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.723 -4.894 -5.659 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.875 -3.396 -5.985 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.772 -4.660 -5.060 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.722 -6.109 -5.328 1.00 0.43 H new ATOM 198 N PRO A2067 -10.108 -3.575 -2.365 1.00 0.27 N ATOM 199 CA PRO A2067 -8.777 -3.164 -1.995 1.00 0.30 C ATOM 200 C PRO A2067 -7.750 -4.256 -2.307 1.00 0.28 C ATOM 201 O PRO A2067 -7.714 -5.294 -1.644 1.00 0.34 O ATOM 202 CB PRO A2067 -8.928 -2.957 -0.487 1.00 0.41 C ATOM 203 CG PRO A2067 -10.045 -3.879 -0.066 1.00 0.45 C ATOM 204 CD PRO A2067 -10.660 -4.446 -1.327 1.00 0.37 C ATOM 0 HA PRO A2067 -8.419 -2.285 -2.530 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.003 -3.196 0.037 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.167 -1.919 -0.255 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -9.664 -4.679 0.569 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -10.791 -3.338 0.516 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.382 -5.489 -1.481 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -11.749 -4.407 -1.301 1.00 0.37 H new ATOM 212 N THR A2068 -6.923 -4.037 -3.312 1.00 0.29 N ATOM 213 CA THR A2068 -5.947 -5.037 -3.709 1.00 0.32 C ATOM 214 C THR A2068 -4.581 -4.415 -3.939 1.00 0.39 C ATOM 215 O THR A2068 -4.401 -3.205 -3.836 1.00 0.70 O ATOM 216 CB THR A2068 -6.385 -5.776 -4.994 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.785 -4.834 -6.001 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.523 -6.744 -4.713 1.00 0.36 C ATOM 0 H THR A2068 -6.906 -3.181 -3.866 1.00 0.29 H new ATOM 0 HA THR A2068 -5.883 -5.753 -2.890 1.00 0.32 H new ATOM 0 HB THR A2068 -5.530 -6.348 -5.356 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.058 -5.316 -6.809 1.00 0.38 H new ATOM 0 HG21 THR A2068 -7.808 -7.248 -5.636 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.199 -7.484 -3.981 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.379 -6.195 -4.320 1.00 0.36 H new ATOM 226 N PHE A2069 -3.601 -5.253 -4.192 1.00 0.25 N ATOM 227 CA PHE A2069 -2.310 -4.779 -4.632 1.00 0.26 C ATOM 228 C PHE A2069 -2.233 -4.982 -6.131 1.00 0.27 C ATOM 229 O PHE A2069 -2.881 -5.890 -6.650 1.00 0.31 O ATOM 230 CB PHE A2069 -1.175 -5.512 -3.913 1.00 0.31 C ATOM 231 CG PHE A2069 -1.144 -5.296 -2.421 1.00 0.28 C ATOM 232 CD1 PHE A2069 0.060 -5.240 -1.742 1.00 1.14 C ATOM 233 CD2 PHE A2069 -2.318 -5.150 -1.698 1.00 1.12 C ATOM 234 CE1 PHE A2069 0.086 -5.046 -0.375 1.00 1.16 C ATOM 235 CE2 PHE A2069 -2.297 -4.954 -0.340 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.099 -4.903 0.324 1.00 0.42 C ATOM 0 H PHE A2069 -3.674 -6.266 -4.100 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.196 -3.722 -4.390 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.264 -6.580 -4.112 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.224 -5.188 -4.335 1.00 0.31 H new ATOM 0 HD1 PHE A2069 0.987 -5.349 -2.285 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -3.266 -5.191 -2.213 1.00 1.12 H new ATOM 0 HE1 PHE A2069 1.030 -5.006 0.148 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -3.223 -4.840 0.205 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.080 -4.751 1.393 1.00 0.42 H new ATOM 246 N GLU A2070 -1.462 -4.144 -6.813 1.00 0.30 N ATOM 247 CA GLU A2070 -1.429 -4.108 -8.277 1.00 0.36 C ATOM 248 C GLU A2070 -1.339 -5.507 -8.893 1.00 0.36 C ATOM 249 O GLU A2070 -2.025 -5.809 -9.868 1.00 0.44 O ATOM 250 CB GLU A2070 -0.246 -3.256 -8.743 1.00 0.52 C ATOM 251 CG GLU A2070 -0.077 -3.198 -10.252 1.00 0.66 C ATOM 252 CD GLU A2070 1.103 -2.346 -10.669 1.00 1.36 C ATOM 253 OE1 GLU A2070 2.256 -2.808 -10.524 1.00 2.09 O ATOM 254 OE2 GLU A2070 0.882 -1.216 -11.153 1.00 2.01 O ATOM 0 H GLU A2070 -0.840 -3.468 -6.370 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.366 -3.666 -8.616 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -0.371 -2.242 -8.363 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.669 -3.651 -8.301 1.00 0.52 H new ATOM 0 HG2 GLU A2070 0.053 -4.209 -10.639 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -0.986 -2.799 -10.702 1.00 0.66 H new ATOM 261 N ASP A2071 -0.516 -6.363 -8.302 1.00 0.40 N ATOM 262 CA ASP A2071 -0.267 -7.693 -8.853 1.00 0.53 C ATOM 263 C ASP A2071 -1.249 -8.731 -8.307 1.00 0.50 C ATOM 264 O ASP A2071 -1.012 -9.932 -8.419 1.00 0.62 O ATOM 265 CB ASP A2071 1.165 -8.134 -8.547 1.00 0.69 C ATOM 266 CG ASP A2071 2.196 -7.167 -9.085 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.465 -7.190 -10.302 1.00 2.06 O ATOM 268 OD2 ASP A2071 2.742 -6.374 -8.291 1.00 2.15 O ATOM 0 H ASP A2071 -0.008 -6.162 -7.441 1.00 0.40 H new ATOM 0 HA ASP A2071 -0.410 -7.628 -9.932 1.00 0.53 H new ATOM 0 HB2 ASP A2071 1.290 -8.230 -7.468 1.00 0.69 H new ATOM 0 HB3 ASP A2071 1.338 -9.121 -8.977 1.00 0.69 H new ATOM 273 N GLY A2072 -2.348 -8.270 -7.723 1.00 0.43 N ATOM 274 CA GLY A2072 -3.341 -9.183 -7.190 1.00 0.48 C ATOM 275 C GLY A2072 -2.914 -9.809 -5.876 1.00 0.48 C ATOM 276 O GLY A2072 -3.292 -10.937 -5.566 1.00 0.63 O ATOM 0 H GLY A2072 -2.569 -7.281 -7.609 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.280 -8.648 -7.045 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.532 -9.971 -7.918 1.00 0.48 H new ATOM 280 N SER A2073 -2.119 -9.082 -5.108 1.00 0.37 N ATOM 281 CA SER A2073 -1.651 -9.571 -3.816 1.00 0.38 C ATOM 282 C SER A2073 -2.433 -8.911 -2.678 1.00 0.35 C ATOM 283 O SER A2073 -3.181 -7.957 -2.908 1.00 0.38 O ATOM 284 CB SER A2073 -0.146 -9.319 -3.684 1.00 0.46 C ATOM 285 OG SER A2073 0.236 -8.136 -4.371 1.00 0.89 O ATOM 0 H SER A2073 -1.783 -8.151 -5.354 1.00 0.37 H new ATOM 0 HA SER A2073 -1.825 -10.645 -3.751 1.00 0.38 H new ATOM 0 HB2 SER A2073 0.121 -9.234 -2.631 1.00 0.46 H new ATOM 0 HB3 SER A2073 0.405 -10.170 -4.084 1.00 0.46 H new ATOM 0 HG SER A2073 1.201 -7.996 -4.270 1.00 0.89 H new ATOM 291 N LYS A2074 -2.288 -9.438 -1.460 1.00 0.35 N ATOM 292 CA LYS A2074 -3.051 -8.937 -0.316 1.00 0.34 C ATOM 293 C LYS A2074 -2.144 -8.485 0.833 1.00 0.34 C ATOM 294 O LYS A2074 -2.610 -7.882 1.799 1.00 0.42 O ATOM 295 CB LYS A2074 -4.027 -10.003 0.191 1.00 0.39 C ATOM 296 CG LYS A2074 -5.133 -10.359 -0.793 1.00 0.53 C ATOM 297 CD LYS A2074 -5.905 -9.127 -1.242 1.00 0.43 C ATOM 298 CE LYS A2074 -7.213 -9.494 -1.925 1.00 0.55 C ATOM 299 NZ LYS A2074 -7.017 -10.475 -3.023 1.00 1.13 N ATOM 0 H LYS A2074 -1.654 -10.206 -1.242 1.00 0.35 H new ATOM 0 HA LYS A2074 -3.608 -8.068 -0.666 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -3.467 -10.906 0.432 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -4.481 -9.652 1.118 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -4.701 -10.855 -1.662 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -5.818 -11.069 -0.329 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -6.111 -8.494 -0.379 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.290 -8.543 -1.926 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -7.902 -9.908 -1.189 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -7.678 -8.593 -2.324 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -7.888 -10.543 -3.588 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -6.233 -10.163 -3.631 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -6.793 -11.407 -2.620 1.00 1.13 H new ATOM 313 N GLU A2075 -0.864 -8.794 0.741 1.00 0.33 N ATOM 314 CA GLU A2075 0.100 -8.341 1.733 1.00 0.32 C ATOM 315 C GLU A2075 1.501 -8.368 1.151 1.00 0.34 C ATOM 316 O GLU A2075 1.933 -9.374 0.588 1.00 0.47 O ATOM 317 CB GLU A2075 0.025 -9.193 3.009 1.00 0.36 C ATOM 318 CG GLU A2075 1.246 -9.090 3.902 1.00 0.91 C ATOM 319 CD GLU A2075 1.179 -10.039 5.078 1.00 1.40 C ATOM 320 OE1 GLU A2075 0.588 -9.675 6.116 1.00 2.08 O ATOM 321 OE2 GLU A2075 1.715 -11.160 4.968 1.00 1.88 O ATOM 0 H GLU A2075 -0.465 -9.357 -0.010 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.146 -7.315 2.005 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -0.854 -8.894 3.580 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.117 -10.236 2.727 1.00 0.36 H new ATOM 0 HG2 GLU A2075 2.140 -9.303 3.317 1.00 0.91 H new ATOM 0 HG3 GLU A2075 1.341 -8.068 4.268 1.00 0.91 H new ATOM 328 N LYS A2076 2.192 -7.250 1.269 1.00 0.35 N ATOM 329 CA LYS A2076 3.554 -7.142 0.781 1.00 0.38 C ATOM 330 C LYS A2076 4.467 -6.746 1.931 1.00 0.37 C ATOM 331 O LYS A2076 4.513 -5.581 2.323 1.00 0.37 O ATOM 332 CB LYS A2076 3.632 -6.106 -0.345 1.00 0.44 C ATOM 333 CG LYS A2076 4.630 -6.434 -1.453 1.00 0.88 C ATOM 334 CD LYS A2076 6.065 -6.494 -0.949 1.00 0.91 C ATOM 335 CE LYS A2076 6.551 -7.929 -0.804 1.00 0.88 C ATOM 336 NZ LYS A2076 6.570 -8.644 -2.108 1.00 1.48 N ATOM 0 H LYS A2076 1.830 -6.400 1.701 1.00 0.35 H new ATOM 0 HA LYS A2076 3.875 -8.104 0.382 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.642 -5.997 -0.788 1.00 0.44 H new ATOM 0 HB3 LYS A2076 3.895 -5.141 0.087 1.00 0.44 H new ATOM 0 HG2 LYS A2076 4.366 -7.391 -1.903 1.00 0.88 H new ATOM 0 HG3 LYS A2076 4.556 -5.682 -2.238 1.00 0.88 H new ATOM 0 HD2 LYS A2076 6.716 -5.957 -1.639 1.00 0.91 H new ATOM 0 HD3 LYS A2076 6.134 -5.987 0.014 1.00 0.91 H new ATOM 0 HE2 LYS A2076 7.553 -7.931 -0.375 1.00 0.88 H new ATOM 0 HE3 LYS A2076 5.904 -8.462 -0.107 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.312 -9.372 -2.094 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 5.647 -9.094 -2.271 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 6.764 -7.966 -2.873 1.00 1.48 H new ATOM 350 N THR A2077 5.164 -7.720 2.486 1.00 0.45 N ATOM 351 CA THR A2077 6.072 -7.467 3.585 1.00 0.47 C ATOM 352 C THR A2077 7.518 -7.623 3.147 1.00 0.52 C ATOM 353 O THR A2077 7.895 -8.641 2.568 1.00 0.63 O ATOM 354 CB THR A2077 5.813 -8.422 4.761 1.00 0.50 C ATOM 355 OG1 THR A2077 4.452 -8.321 5.190 1.00 0.48 O ATOM 356 CG2 THR A2077 6.736 -8.096 5.923 1.00 0.55 C ATOM 0 H THR A2077 5.117 -8.695 2.192 1.00 0.45 H new ATOM 0 HA THR A2077 5.894 -6.441 3.907 1.00 0.47 H new ATOM 0 HB THR A2077 6.010 -9.440 4.425 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.298 -8.935 5.938 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.539 -8.782 6.747 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.773 -8.200 5.604 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.559 -7.072 6.252 1.00 0.55 H new ATOM 364 N ILE A2078 8.314 -6.603 3.411 1.00 0.51 N ATOM 365 CA ILE A2078 9.751 -6.672 3.214 1.00 0.60 C ATOM 366 C ILE A2078 10.438 -6.154 4.473 1.00 0.60 C ATOM 367 O ILE A2078 10.035 -5.120 5.011 1.00 0.53 O ATOM 368 CB ILE A2078 10.210 -5.841 1.990 1.00 0.67 C ATOM 369 CG1 ILE A2078 9.578 -6.369 0.701 1.00 0.75 C ATOM 370 CG2 ILE A2078 11.728 -5.838 1.867 1.00 0.80 C ATOM 371 CD1 ILE A2078 10.047 -7.751 0.303 1.00 1.62 C ATOM 0 H ILE A2078 7.984 -5.706 3.767 1.00 0.51 H new ATOM 0 HA ILE A2078 10.024 -7.710 3.022 1.00 0.60 H new ATOM 0 HB ILE A2078 9.875 -4.815 2.145 1.00 0.67 H new ATOM 0 HG12 ILE A2078 8.495 -6.385 0.821 1.00 0.75 H new ATOM 0 HG13 ILE A2078 9.799 -5.675 -0.110 1.00 0.75 H new ATOM 0 HG21 ILE A2078 12.022 -5.247 0.999 1.00 0.80 H new ATOM 0 HG22 ILE A2078 12.165 -5.404 2.766 1.00 0.80 H new ATOM 0 HG23 ILE A2078 12.085 -6.861 1.747 1.00 0.80 H new ATOM 0 HD11 ILE A2078 9.552 -8.051 -0.620 1.00 1.62 H new ATOM 0 HD12 ILE A2078 11.126 -7.739 0.149 1.00 1.62 H new ATOM 0 HD13 ILE A2078 9.802 -8.460 1.094 1.00 1.62 H new ATOM 383 N PRO A2079 11.439 -6.886 4.995 1.00 0.72 N ATOM 384 CA PRO A2079 12.190 -6.461 6.182 1.00 0.79 C ATOM 385 C PRO A2079 12.767 -5.056 6.027 1.00 0.74 C ATOM 386 O PRO A2079 13.704 -4.839 5.259 1.00 0.76 O ATOM 387 CB PRO A2079 13.315 -7.493 6.282 1.00 0.94 C ATOM 388 CG PRO A2079 12.789 -8.699 5.585 1.00 0.98 C ATOM 389 CD PRO A2079 11.907 -8.188 4.481 1.00 0.85 C ATOM 0 HA PRO A2079 11.558 -6.415 7.069 1.00 0.79 H new ATOM 0 HB2 PRO A2079 14.228 -7.130 5.810 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.559 -7.712 7.321 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.603 -9.305 5.186 1.00 0.98 H new ATOM 0 HG3 PRO A2079 12.227 -9.332 6.272 1.00 0.98 H new ATOM 0 HD2 PRO A2079 12.456 -8.077 3.546 1.00 0.85 H new ATOM 0 HD3 PRO A2079 11.076 -8.865 4.284 1.00 0.85 H new ATOM 397 N GLY A2080 12.198 -4.108 6.762 1.00 0.73 N ATOM 398 CA GLY A2080 12.656 -2.734 6.694 1.00 0.76 C ATOM 399 C GLY A2080 11.773 -1.876 5.810 1.00 0.70 C ATOM 400 O GLY A2080 11.978 -0.669 5.704 1.00 0.94 O ATOM 0 H GLY A2080 11.424 -4.268 7.407 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.681 -2.312 7.698 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.677 -2.712 6.314 1.00 0.76 H new ATOM 404 N GLN A2081 10.791 -2.502 5.177 1.00 0.54 N ATOM 405 CA GLN A2081 9.868 -1.797 4.291 1.00 0.53 C ATOM 406 C GLN A2081 8.501 -1.671 4.948 1.00 0.50 C ATOM 407 O GLN A2081 7.759 -0.720 4.697 1.00 0.57 O ATOM 408 CB GLN A2081 9.739 -2.553 2.973 1.00 0.57 C ATOM 409 CG GLN A2081 8.842 -1.888 1.941 1.00 0.95 C ATOM 410 CD GLN A2081 8.852 -2.625 0.613 1.00 1.09 C ATOM 411 OE1 GLN A2081 9.853 -3.230 0.235 1.00 2.02 O ATOM 412 NE2 GLN A2081 7.743 -2.586 -0.106 1.00 0.87 N ATOM 0 H GLN A2081 10.610 -3.502 5.260 1.00 0.54 H new ATOM 0 HA GLN A2081 10.259 -0.798 4.097 1.00 0.53 H new ATOM 0 HB2 GLN A2081 10.733 -2.678 2.543 1.00 0.57 H new ATOM 0 HB3 GLN A2081 9.353 -3.551 3.179 1.00 0.57 H new ATOM 0 HG2 GLN A2081 7.822 -1.844 2.323 1.00 0.95 H new ATOM 0 HG3 GLN A2081 9.169 -0.860 1.787 1.00 0.95 H new ATOM 0 HE21 GLN A2081 6.930 -2.074 0.238 1.00 0.87 H new ATOM 0 HE22 GLN A2081 7.700 -3.068 -1.004 1.00 0.87 H new ATOM 421 N GLY A2082 8.179 -2.643 5.789 1.00 0.47 N ATOM 422 CA GLY A2082 6.908 -2.643 6.482 1.00 0.50 C ATOM 423 C GLY A2082 5.942 -3.635 5.875 1.00 0.40 C ATOM 424 O GLY A2082 6.355 -4.537 5.140 1.00 0.45 O ATOM 0 H GLY A2082 8.781 -3.438 6.005 1.00 0.47 H new ATOM 0 HA2 GLY A2082 7.066 -2.885 7.533 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.474 -1.644 6.447 1.00 0.50 H new ATOM 428 N THR A2083 4.663 -3.475 6.176 1.00 0.33 N ATOM 429 CA THR A2083 3.638 -4.339 5.620 1.00 0.29 C ATOM 430 C THR A2083 2.403 -3.537 5.247 1.00 0.25 C ATOM 431 O THR A2083 1.954 -2.661 5.989 1.00 0.30 O ATOM 432 CB THR A2083 3.220 -5.460 6.598 1.00 0.36 C ATOM 433 OG1 THR A2083 4.369 -6.207 7.016 1.00 0.49 O ATOM 434 CG2 THR A2083 2.215 -6.403 5.938 1.00 0.36 C ATOM 0 H THR A2083 4.311 -2.752 6.804 1.00 0.33 H new ATOM 0 HA THR A2083 4.073 -4.798 4.732 1.00 0.29 H new ATOM 0 HB THR A2083 2.754 -4.996 7.467 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.431 -7.033 6.492 1.00 0.49 H new ATOM 0 HG21 THR A2083 1.933 -7.185 6.643 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.328 -5.842 5.645 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.666 -6.856 5.055 1.00 0.36 H new ATOM 442 N TYR A2084 1.878 -3.822 4.082 1.00 0.28 N ATOM 443 CA TYR A2084 0.607 -3.278 3.674 1.00 0.34 C ATOM 444 C TYR A2084 -0.417 -4.396 3.796 1.00 0.32 C ATOM 445 O TYR A2084 -0.343 -5.386 3.071 1.00 0.29 O ATOM 446 CB TYR A2084 0.702 -2.753 2.238 1.00 0.43 C ATOM 447 CG TYR A2084 2.060 -2.162 1.913 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.345 -0.823 2.152 1.00 1.13 C ATOM 449 CD2 TYR A2084 3.065 -2.959 1.379 1.00 1.38 C ATOM 450 CE1 TYR A2084 3.594 -0.300 1.871 1.00 1.15 C ATOM 451 CE2 TYR A2084 4.312 -2.443 1.093 1.00 1.44 C ATOM 452 CZ TYR A2084 4.573 -1.116 1.340 1.00 0.62 C ATOM 453 OH TYR A2084 5.821 -0.608 1.062 1.00 0.76 O ATOM 0 H TYR A2084 2.316 -4.434 3.393 1.00 0.28 H new ATOM 0 HA TYR A2084 0.311 -2.437 4.301 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.490 -3.567 1.545 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.065 -1.994 2.083 1.00 0.43 H new ATOM 0 HD1 TYR A2084 1.580 -0.181 2.563 1.00 1.13 H new ATOM 0 HD2 TYR A2084 2.866 -4.002 1.184 1.00 1.38 H new ATOM 0 HE1 TYR A2084 3.803 0.742 2.066 1.00 1.15 H new ATOM 0 HE2 TYR A2084 5.080 -3.079 0.677 1.00 1.44 H new ATOM 0 HH TYR A2084 5.732 0.182 0.488 1.00 0.76 H new ATOM 463 N THR A2085 -1.323 -4.273 4.752 1.00 0.39 N ATOM 464 CA THR A2085 -2.231 -5.362 5.074 1.00 0.40 C ATOM 465 C THR A2085 -3.655 -5.079 4.623 1.00 0.41 C ATOM 466 O THR A2085 -4.246 -4.065 5.002 1.00 0.49 O ATOM 467 CB THR A2085 -2.243 -5.641 6.591 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.337 -4.407 7.313 1.00 0.63 O ATOM 469 CG2 THR A2085 -0.999 -6.392 7.026 1.00 0.57 C ATOM 0 H THR A2085 -1.449 -3.433 5.317 1.00 0.39 H new ATOM 0 HA THR A2085 -1.861 -6.235 4.536 1.00 0.40 H new ATOM 0 HB THR A2085 -3.110 -6.263 6.810 1.00 0.46 H new ATOM 0 HG1 THR A2085 -2.346 -4.591 8.276 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.040 -6.572 8.100 1.00 0.57 H new ATOM 0 HG22 THR A2085 -0.947 -7.345 6.500 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.115 -5.799 6.791 1.00 0.57 H new ATOM 477 N ILE A2086 -4.199 -5.975 3.813 1.00 0.39 N ATOM 478 CA ILE A2086 -5.610 -5.932 3.478 1.00 0.40 C ATOM 479 C ILE A2086 -6.255 -7.276 3.785 1.00 0.45 C ATOM 480 O ILE A2086 -5.732 -8.331 3.417 1.00 0.55 O ATOM 481 CB ILE A2086 -5.860 -5.530 1.995 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.367 -5.478 1.666 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.141 -6.468 1.044 1.00 0.57 C ATOM 484 CD1 ILE A2086 -7.984 -6.803 1.245 1.00 1.18 C ATOM 0 H ILE A2086 -3.683 -6.739 3.377 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.069 -5.158 4.093 1.00 0.40 H new ATOM 0 HB ILE A2086 -5.453 -4.528 1.861 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -7.901 -5.109 2.541 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -7.523 -4.753 0.868 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.334 -6.162 0.016 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.069 -6.431 1.238 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -5.502 -7.485 1.194 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.044 -6.661 1.036 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -7.483 -7.169 0.349 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -7.867 -7.530 2.048 1.00 1.18 H new ATOM 496 N VAL A2087 -7.374 -7.235 4.488 1.00 0.49 N ATOM 497 CA VAL A2087 -8.151 -8.432 4.750 1.00 0.59 C ATOM 498 C VAL A2087 -9.570 -8.252 4.219 1.00 0.58 C ATOM 499 O VAL A2087 -10.082 -7.127 4.165 1.00 0.53 O ATOM 500 CB VAL A2087 -8.186 -8.784 6.255 1.00 0.73 C ATOM 501 CG1 VAL A2087 -6.822 -9.270 6.724 1.00 0.78 C ATOM 502 CG2 VAL A2087 -8.635 -7.592 7.081 1.00 0.80 C ATOM 0 H VAL A2087 -7.765 -6.382 4.888 1.00 0.49 H new ATOM 0 HA VAL A2087 -7.667 -9.261 4.234 1.00 0.59 H new ATOM 0 HB VAL A2087 -8.908 -9.588 6.396 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -6.867 -9.513 7.786 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -6.539 -10.159 6.160 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.081 -8.487 6.562 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -8.651 -7.866 8.136 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -7.942 -6.764 6.932 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -9.635 -7.289 6.769 1.00 0.80 H new ATOM 512 N PRO A2088 -10.218 -9.366 3.817 1.00 0.66 N ATOM 513 CA PRO A2088 -11.524 -9.357 3.128 1.00 0.68 C ATOM 514 C PRO A2088 -12.648 -8.692 3.921 1.00 0.66 C ATOM 515 O PRO A2088 -13.769 -8.563 3.427 1.00 0.69 O ATOM 516 CB PRO A2088 -11.842 -10.842 2.938 1.00 0.81 C ATOM 517 CG PRO A2088 -10.528 -11.533 3.018 1.00 0.97 C ATOM 518 CD PRO A2088 -9.713 -10.742 3.994 1.00 0.78 C ATOM 0 HA PRO A2088 -11.461 -8.778 2.207 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -12.524 -11.201 3.709 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.324 -11.022 1.977 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -10.647 -12.564 3.352 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -10.044 -11.568 2.042 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -9.854 -11.095 5.016 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -8.647 -10.811 3.778 1.00 0.78 H new ATOM 526 N ASP A2089 -12.352 -8.279 5.145 1.00 0.67 N ATOM 527 CA ASP A2089 -13.315 -7.557 5.968 1.00 0.73 C ATOM 528 C ASP A2089 -13.557 -6.169 5.392 1.00 0.66 C ATOM 529 O ASP A2089 -14.506 -5.481 5.764 1.00 0.73 O ATOM 530 CB ASP A2089 -12.802 -7.442 7.405 1.00 0.85 C ATOM 531 CG ASP A2089 -12.675 -8.785 8.090 1.00 1.59 C ATOM 532 OD1 ASP A2089 -11.663 -9.480 7.862 1.00 2.29 O ATOM 533 OD2 ASP A2089 -13.589 -9.156 8.857 1.00 2.26 O ATOM 0 H ASP A2089 -11.448 -8.432 5.593 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.255 -8.109 5.972 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -11.831 -6.948 7.401 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -13.479 -6.809 7.978 1.00 0.85 H new ATOM 538 N GLY A2090 -12.683 -5.769 4.478 1.00 0.59 N ATOM 539 CA GLY A2090 -12.804 -4.473 3.850 1.00 0.63 C ATOM 540 C GLY A2090 -11.891 -3.458 4.493 1.00 0.70 C ATOM 541 O GLY A2090 -11.950 -2.269 4.185 1.00 0.83 O ATOM 0 H GLY A2090 -11.889 -6.325 4.160 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.566 -4.558 2.790 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.836 -4.130 3.918 1.00 0.63 H new ATOM 545 N THR A2091 -11.031 -3.931 5.379 1.00 0.70 N ATOM 546 CA THR A2091 -10.136 -3.055 6.104 1.00 0.79 C ATOM 547 C THR A2091 -8.692 -3.282 5.663 1.00 0.60 C ATOM 548 O THR A2091 -8.209 -4.418 5.601 1.00 0.59 O ATOM 549 CB THR A2091 -10.283 -3.234 7.635 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.358 -2.388 8.328 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.072 -4.680 8.053 1.00 0.86 C ATOM 0 H THR A2091 -10.936 -4.920 5.612 1.00 0.70 H new ATOM 0 HA THR A2091 -10.411 -2.027 5.869 1.00 0.79 H new ATOM 0 HB THR A2091 -11.301 -2.950 7.901 1.00 1.05 H new ATOM 0 HG1 THR A2091 -9.464 -2.511 9.295 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.183 -4.766 9.134 1.00 0.86 H new ATOM 0 HG22 THR A2091 -10.811 -5.313 7.561 1.00 0.86 H new ATOM 0 HG23 THR A2091 -9.071 -5.000 7.764 1.00 0.86 H new ATOM 559 N VAL A2092 -8.021 -2.192 5.323 1.00 0.60 N ATOM 560 CA VAL A2092 -6.661 -2.246 4.815 1.00 0.54 C ATOM 561 C VAL A2092 -5.899 -0.979 5.190 1.00 0.55 C ATOM 562 O VAL A2092 -6.449 0.122 5.149 1.00 0.78 O ATOM 563 CB VAL A2092 -6.649 -2.454 3.278 1.00 0.79 C ATOM 564 CG1 VAL A2092 -7.738 -1.632 2.616 1.00 1.02 C ATOM 565 CG2 VAL A2092 -5.290 -2.116 2.673 1.00 1.18 C ATOM 0 H VAL A2092 -8.403 -1.249 5.392 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.162 -3.099 5.275 1.00 0.54 H new ATOM 0 HB VAL A2092 -6.843 -3.510 3.092 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -7.711 -1.793 1.538 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -8.710 -1.936 3.004 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -7.576 -0.575 2.829 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -5.322 -2.274 1.595 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -5.049 -1.073 2.879 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -4.527 -2.759 3.112 1.00 1.18 H new ATOM 575 N THR A2093 -4.644 -1.143 5.573 1.00 0.47 N ATOM 576 CA THR A2093 -3.815 -0.018 5.961 1.00 0.53 C ATOM 577 C THR A2093 -2.499 -0.023 5.186 1.00 0.44 C ATOM 578 O THR A2093 -1.823 -1.052 5.083 1.00 0.41 O ATOM 579 CB THR A2093 -3.537 -0.018 7.486 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.614 1.025 7.827 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.987 -1.357 7.954 1.00 0.71 C ATOM 0 H THR A2093 -4.177 -2.048 5.623 1.00 0.47 H new ATOM 0 HA THR A2093 -4.363 0.892 5.717 1.00 0.53 H new ATOM 0 HB THR A2093 -4.487 0.158 7.990 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.707 0.657 7.875 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.804 -1.320 9.028 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.710 -2.143 7.736 1.00 0.71 H new ATOM 0 HG23 THR A2093 -2.053 -1.568 7.434 1.00 0.71 H new ATOM 589 N PHE A2094 -2.154 1.125 4.619 1.00 0.46 N ATOM 590 CA PHE A2094 -0.884 1.285 3.929 1.00 0.42 C ATOM 591 C PHE A2094 0.186 1.626 4.960 1.00 0.43 C ATOM 592 O PHE A2094 0.291 2.773 5.396 1.00 0.52 O ATOM 593 CB PHE A2094 -0.976 2.394 2.852 1.00 0.51 C ATOM 594 CG PHE A2094 -1.937 2.098 1.718 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.530 0.849 1.599 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.243 3.068 0.761 1.00 1.26 C ATOM 597 CE1 PHE A2094 -3.396 0.572 0.563 1.00 1.23 C ATOM 598 CE2 PHE A2094 -3.111 2.788 -0.273 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.686 1.540 -0.373 1.00 0.55 C ATOM 0 H PHE A2094 -2.739 1.961 4.624 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.626 0.357 3.420 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.279 3.324 3.333 1.00 0.51 H new ATOM 0 HB3 PHE A2094 0.017 2.559 2.435 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -2.310 0.083 2.328 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -1.795 4.048 0.832 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -3.848 -0.406 0.485 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.340 3.548 -1.005 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.364 1.321 -1.185 1.00 0.55 H new ATOM 609 N THR A2095 0.962 0.629 5.381 1.00 0.37 N ATOM 610 CA THR A2095 1.940 0.839 6.436 1.00 0.39 C ATOM 611 C THR A2095 3.369 0.624 5.937 1.00 0.37 C ATOM 612 O THR A2095 3.901 -0.486 5.983 1.00 0.37 O ATOM 613 CB THR A2095 1.663 -0.094 7.632 1.00 0.47 C ATOM 614 OG1 THR A2095 0.280 -0.009 8.004 1.00 0.58 O ATOM 615 CG2 THR A2095 2.532 0.278 8.826 1.00 0.58 C ATOM 0 H THR A2095 0.931 -0.321 5.010 1.00 0.37 H new ATOM 0 HA THR A2095 1.844 1.876 6.758 1.00 0.39 H new ATOM 0 HB THR A2095 1.903 -1.114 7.332 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.108 -0.604 8.763 1.00 0.58 H new ATOM 0 HG21 THR A2095 2.317 -0.395 9.656 1.00 0.58 H new ATOM 0 HG22 THR A2095 3.583 0.192 8.552 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.318 1.304 9.126 1.00 0.58 H new ATOM 623 N PRO A2096 4.003 1.690 5.431 1.00 0.50 N ATOM 624 CA PRO A2096 5.407 1.681 5.069 1.00 0.61 C ATOM 625 C PRO A2096 6.279 2.037 6.267 1.00 0.69 C ATOM 626 O PRO A2096 5.910 2.884 7.084 1.00 0.81 O ATOM 627 CB PRO A2096 5.508 2.767 3.987 1.00 0.88 C ATOM 628 CG PRO A2096 4.175 3.456 3.949 1.00 0.98 C ATOM 629 CD PRO A2096 3.405 2.994 5.154 1.00 0.69 C ATOM 0 HA PRO A2096 5.748 0.704 4.727 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.304 3.474 4.220 1.00 0.88 H new ATOM 0 HB3 PRO A2096 5.746 2.328 3.018 1.00 0.88 H new ATOM 0 HG2 PRO A2096 4.300 4.539 3.964 1.00 0.98 H new ATOM 0 HG3 PRO A2096 3.640 3.209 3.032 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.518 3.679 5.995 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.338 2.915 4.948 1.00 0.69 H new ATOM 637 N ASP A2097 7.423 1.379 6.373 1.00 0.89 N ATOM 638 CA ASP A2097 8.341 1.611 7.480 1.00 1.14 C ATOM 639 C ASP A2097 8.810 3.059 7.496 1.00 1.37 C ATOM 640 O ASP A2097 9.114 3.636 6.451 1.00 1.39 O ATOM 641 CB ASP A2097 9.544 0.675 7.381 1.00 1.24 C ATOM 642 CG ASP A2097 10.480 0.818 8.561 1.00 2.06 C ATOM 643 OD1 ASP A2097 11.456 1.585 8.465 1.00 2.61 O ATOM 644 OD2 ASP A2097 10.233 0.170 9.600 1.00 2.72 O ATOM 0 H ASP A2097 7.740 0.677 5.704 1.00 0.89 H new ATOM 0 HA ASP A2097 7.810 1.406 8.409 1.00 1.14 H new ATOM 0 HB2 ASP A2097 9.196 -0.356 7.319 1.00 1.24 H new ATOM 0 HB3 ASP A2097 10.089 0.883 6.460 1.00 1.24 H new ATOM 649 N LYS A2098 8.848 3.632 8.694 1.00 1.89 N ATOM 650 CA LYS A2098 9.183 5.040 8.889 1.00 2.37 C ATOM 651 C LYS A2098 10.599 5.366 8.420 1.00 2.32 C ATOM 652 O LYS A2098 10.921 6.528 8.174 1.00 2.66 O ATOM 653 CB LYS A2098 9.018 5.413 10.366 1.00 3.03 C ATOM 654 CG LYS A2098 9.839 4.546 11.312 1.00 3.48 C ATOM 655 CD LYS A2098 9.593 4.890 12.778 1.00 4.03 C ATOM 656 CE LYS A2098 8.316 4.257 13.323 1.00 4.43 C ATOM 657 NZ LYS A2098 7.081 4.852 12.744 1.00 4.81 N ATOM 0 H LYS A2098 8.647 3.133 9.560 1.00 1.89 H new ATOM 0 HA LYS A2098 8.497 5.630 8.281 1.00 2.37 H new ATOM 0 HB2 LYS A2098 9.304 6.456 10.502 1.00 3.03 H new ATOM 0 HB3 LYS A2098 7.965 5.334 10.636 1.00 3.03 H new ATOM 0 HG2 LYS A2098 9.596 3.497 11.142 1.00 3.48 H new ATOM 0 HG3 LYS A2098 10.898 4.669 11.086 1.00 3.48 H new ATOM 0 HD2 LYS A2098 10.443 4.556 13.373 1.00 4.03 H new ATOM 0 HD3 LYS A2098 9.533 5.973 12.888 1.00 4.03 H new ATOM 0 HE2 LYS A2098 8.330 3.187 13.115 1.00 4.43 H new ATOM 0 HE3 LYS A2098 8.294 4.371 14.407 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 6.324 4.842 13.457 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 7.271 5.833 12.454 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 6.784 4.298 11.916 1.00 4.81 H new ATOM 671 N GLN A2099 11.442 4.350 8.310 1.00 2.03 N ATOM 672 CA GLN A2099 12.796 4.537 7.813 1.00 2.09 C ATOM 673 C GLN A2099 12.887 4.048 6.377 1.00 1.67 C ATOM 674 O GLN A2099 13.461 4.727 5.525 1.00 1.81 O ATOM 675 CB GLN A2099 13.793 3.780 8.685 1.00 2.41 C ATOM 676 CG GLN A2099 13.726 4.165 10.150 1.00 2.99 C ATOM 677 CD GLN A2099 14.726 3.411 10.995 1.00 3.86 C ATOM 678 OE1 GLN A2099 15.094 2.278 10.684 1.00 4.40 O ATOM 679 NE2 GLN A2099 15.167 4.031 12.076 1.00 4.42 N ATOM 0 H GLN A2099 11.212 3.388 8.558 1.00 2.03 H new ATOM 0 HA GLN A2099 13.040 5.599 7.848 1.00 2.09 H new ATOM 0 HB2 GLN A2099 13.609 2.710 8.589 1.00 2.41 H new ATOM 0 HB3 GLN A2099 14.801 3.964 8.314 1.00 2.41 H new ATOM 0 HG2 GLN A2099 13.906 5.235 10.249 1.00 2.99 H new ATOM 0 HG3 GLN A2099 12.721 3.975 10.526 1.00 2.99 H new ATOM 0 HE21 GLN A2099 14.836 4.970 12.296 1.00 4.42 H new ATOM 0 HE22 GLN A2099 15.839 3.570 12.690 1.00 4.42 H new ATOM 688 N PHE A2100 12.308 2.879 6.119 1.00 1.40 N ATOM 689 CA PHE A2100 12.264 2.312 4.774 1.00 1.20 C ATOM 690 C PHE A2100 13.674 1.973 4.280 1.00 1.31 C ATOM 691 O PHE A2100 14.240 2.653 3.414 1.00 1.72 O ATOM 692 CB PHE A2100 11.543 3.273 3.816 1.00 1.32 C ATOM 693 CG PHE A2100 11.459 2.784 2.398 1.00 1.46 C ATOM 694 CD1 PHE A2100 10.848 1.580 2.098 1.00 1.93 C ATOM 695 CD2 PHE A2100 11.992 3.539 1.366 1.00 2.04 C ATOM 696 CE1 PHE A2100 10.773 1.135 0.794 1.00 2.23 C ATOM 697 CE2 PHE A2100 11.919 3.099 0.061 1.00 2.36 C ATOM 698 CZ PHE A2100 11.310 1.896 -0.226 1.00 2.18 C ATOM 0 H PHE A2100 11.859 2.301 6.830 1.00 1.40 H new ATOM 0 HA PHE A2100 11.698 1.381 4.803 1.00 1.20 H new ATOM 0 HB2 PHE A2100 10.534 3.449 4.188 1.00 1.32 H new ATOM 0 HB3 PHE A2100 12.059 4.233 3.827 1.00 1.32 H new ATOM 0 HD1 PHE A2100 10.425 0.982 2.892 1.00 1.93 H new ATOM 0 HD2 PHE A2100 12.470 4.482 1.586 1.00 2.04 H new ATOM 0 HE1 PHE A2100 10.295 0.193 0.571 1.00 2.23 H new ATOM 0 HE2 PHE A2100 12.338 3.696 -0.735 1.00 2.36 H new ATOM 0 HZ PHE A2100 11.253 1.549 -1.247 1.00 2.18 H new ATOM 708 N VAL A2101 14.237 0.920 4.861 1.00 1.55 N ATOM 709 CA VAL A2101 15.565 0.435 4.500 1.00 1.92 C ATOM 710 C VAL A2101 15.606 -1.087 4.603 1.00 2.31 C ATOM 711 O VAL A2101 15.414 -1.642 5.686 1.00 2.68 O ATOM 712 CB VAL A2101 16.667 1.012 5.422 1.00 2.35 C ATOM 713 CG1 VAL A2101 18.030 0.467 5.024 1.00 2.67 C ATOM 714 CG2 VAL A2101 16.677 2.534 5.396 1.00 2.45 C ATOM 0 H VAL A2101 13.785 0.377 5.597 1.00 1.55 H new ATOM 0 HA VAL A2101 15.757 0.763 3.478 1.00 1.92 H new ATOM 0 HB VAL A2101 16.444 0.698 6.442 1.00 2.35 H new ATOM 0 HG11 VAL A2101 18.794 0.882 5.681 1.00 2.67 H new ATOM 0 HG12 VAL A2101 18.027 -0.619 5.112 1.00 2.67 H new ATOM 0 HG13 VAL A2101 18.247 0.747 3.993 1.00 2.67 H new ATOM 0 HG21 VAL A2101 17.463 2.904 6.054 1.00 2.45 H new ATOM 0 HG22 VAL A2101 16.863 2.879 4.379 1.00 2.45 H new ATOM 0 HG23 VAL A2101 15.712 2.910 5.736 1.00 2.45 H new ATOM 724 N GLY A2102 15.851 -1.763 3.488 1.00 2.55 N ATOM 725 CA GLY A2102 15.945 -3.210 3.522 1.00 3.15 C ATOM 726 C GLY A2102 15.618 -3.858 2.195 1.00 3.22 C ATOM 727 O GLY A2102 14.839 -4.809 2.146 1.00 3.84 O ATOM 0 H GLY A2102 15.985 -1.341 2.569 1.00 2.55 H new ATOM 0 HA2 GLY A2102 16.954 -3.496 3.820 1.00 3.15 H new ATOM 0 HA3 GLY A2102 15.267 -3.594 4.284 1.00 3.15 H new ATOM 731 N LYS A2103 16.226 -3.349 1.126 1.00 2.91 N ATOM 732 CA LYS A2103 16.025 -3.880 -0.224 1.00 3.06 C ATOM 733 C LYS A2103 14.538 -3.885 -0.603 1.00 2.39 C ATOM 734 O LYS A2103 13.908 -4.946 -0.672 1.00 2.33 O ATOM 735 CB LYS A2103 16.598 -5.298 -0.339 1.00 3.80 C ATOM 736 CG LYS A2103 16.660 -5.810 -1.770 1.00 4.59 C ATOM 737 CD LYS A2103 16.832 -7.319 -1.828 1.00 5.33 C ATOM 738 CE LYS A2103 15.599 -8.046 -1.311 1.00 6.21 C ATOM 739 NZ LYS A2103 14.358 -7.628 -2.024 1.00 6.78 N ATOM 0 H LYS A2103 16.870 -2.559 1.169 1.00 2.91 H new ATOM 0 HA LYS A2103 16.555 -3.227 -0.917 1.00 3.06 H new ATOM 0 HB2 LYS A2103 17.601 -5.312 0.088 1.00 3.80 H new ATOM 0 HB3 LYS A2103 15.988 -5.978 0.256 1.00 3.80 H new ATOM 0 HG2 LYS A2103 15.747 -5.529 -2.296 1.00 4.59 H new ATOM 0 HG3 LYS A2103 17.489 -5.330 -2.291 1.00 4.59 H new ATOM 0 HD2 LYS A2103 17.030 -7.624 -2.856 1.00 5.33 H new ATOM 0 HD3 LYS A2103 17.700 -7.609 -1.237 1.00 5.33 H new ATOM 0 HE2 LYS A2103 15.738 -9.121 -1.427 1.00 6.21 H new ATOM 0 HE3 LYS A2103 15.486 -7.852 -0.244 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 13.603 -8.320 -1.843 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 14.059 -6.693 -1.682 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 14.545 -7.579 -3.046 1.00 6.78 H new ATOM 753 N PRO A2104 13.967 -2.697 -0.864 1.00 2.06 N ATOM 754 CA PRO A2104 12.536 -2.547 -1.158 1.00 1.50 C ATOM 755 C PRO A2104 12.082 -3.350 -2.375 1.00 1.35 C ATOM 756 O PRO A2104 12.745 -3.360 -3.414 1.00 1.62 O ATOM 757 CB PRO A2104 12.368 -1.049 -1.428 1.00 1.62 C ATOM 758 CG PRO A2104 13.740 -0.540 -1.701 1.00 2.21 C ATOM 759 CD PRO A2104 14.666 -1.404 -0.896 1.00 2.43 C ATOM 0 HA PRO A2104 11.930 -2.921 -0.333 1.00 1.50 H new ATOM 0 HB2 PRO A2104 11.708 -0.875 -2.278 1.00 1.62 H new ATOM 0 HB3 PRO A2104 11.924 -0.543 -0.571 1.00 1.62 H new ATOM 0 HG2 PRO A2104 13.975 -0.600 -2.764 1.00 2.21 H new ATOM 0 HG3 PRO A2104 13.833 0.507 -1.413 1.00 2.21 H new ATOM 0 HD2 PRO A2104 15.648 -1.487 -1.362 1.00 2.43 H new ATOM 0 HD3 PRO A2104 14.822 -1.004 0.106 1.00 2.43 H new ATOM 767 N ASP A2105 10.948 -4.014 -2.231 1.00 1.04 N ATOM 768 CA ASP A2105 10.366 -4.797 -3.313 1.00 0.98 C ATOM 769 C ASP A2105 9.375 -3.940 -4.093 1.00 0.79 C ATOM 770 O ASP A2105 8.525 -3.278 -3.497 1.00 0.78 O ATOM 771 CB ASP A2105 9.669 -6.035 -2.740 1.00 1.06 C ATOM 772 CG ASP A2105 9.044 -6.922 -3.799 1.00 1.66 C ATOM 773 OD1 ASP A2105 7.800 -7.023 -3.834 1.00 2.16 O ATOM 774 OD2 ASP A2105 9.791 -7.545 -4.579 1.00 2.33 O ATOM 0 H ASP A2105 10.406 -4.027 -1.367 1.00 1.04 H new ATOM 0 HA ASP A2105 11.155 -5.123 -3.990 1.00 0.98 H new ATOM 0 HB2 ASP A2105 10.392 -6.618 -2.170 1.00 1.06 H new ATOM 0 HB3 ASP A2105 8.895 -5.716 -2.042 1.00 1.06 H new ATOM 779 N PRO A2106 9.486 -3.929 -5.431 1.00 0.77 N ATOM 780 CA PRO A2106 8.639 -3.093 -6.288 1.00 0.73 C ATOM 781 C PRO A2106 7.171 -3.495 -6.216 1.00 0.61 C ATOM 782 O PRO A2106 6.771 -4.529 -6.755 1.00 0.74 O ATOM 783 CB PRO A2106 9.189 -3.333 -7.696 1.00 0.87 C ATOM 784 CG PRO A2106 9.911 -4.633 -7.618 1.00 1.03 C ATOM 785 CD PRO A2106 10.432 -4.741 -6.213 1.00 0.93 C ATOM 0 HA PRO A2106 8.667 -2.047 -5.984 1.00 0.73 H new ATOM 0 HB2 PRO A2106 8.385 -3.373 -8.431 1.00 0.87 H new ATOM 0 HB3 PRO A2106 9.859 -2.528 -7.999 1.00 0.87 H new ATOM 0 HG2 PRO A2106 9.244 -5.463 -7.850 1.00 1.03 H new ATOM 0 HG3 PRO A2106 10.727 -4.669 -8.339 1.00 1.03 H new ATOM 0 HD2 PRO A2106 10.451 -5.776 -5.871 1.00 0.93 H new ATOM 0 HD3 PRO A2106 11.450 -4.360 -6.132 1.00 0.93 H new ATOM 793 N VAL A2107 6.373 -2.680 -5.548 1.00 0.48 N ATOM 794 CA VAL A2107 4.963 -2.978 -5.376 1.00 0.37 C ATOM 795 C VAL A2107 4.115 -1.711 -5.446 1.00 0.35 C ATOM 796 O VAL A2107 4.466 -0.674 -4.879 1.00 0.60 O ATOM 797 CB VAL A2107 4.697 -3.710 -4.037 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.172 -2.881 -2.850 1.00 0.54 C ATOM 799 CG2 VAL A2107 3.221 -4.057 -3.894 1.00 0.46 C ATOM 0 H VAL A2107 6.678 -1.808 -5.116 1.00 0.48 H new ATOM 0 HA VAL A2107 4.677 -3.637 -6.196 1.00 0.37 H new ATOM 0 HB VAL A2107 5.269 -4.638 -4.047 1.00 0.41 H new ATOM 0 HG11 VAL A2107 4.971 -3.422 -1.925 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.243 -2.699 -2.939 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.642 -1.929 -2.836 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.058 -4.570 -2.946 1.00 0.46 H new ATOM 0 HG22 VAL A2107 2.628 -3.143 -3.918 1.00 0.46 H new ATOM 0 HG23 VAL A2107 2.919 -4.707 -4.715 1.00 0.46 H new ATOM 809 N THR A2108 3.017 -1.800 -6.173 1.00 0.32 N ATOM 810 CA THR A2108 2.023 -0.750 -6.192 1.00 0.30 C ATOM 811 C THR A2108 0.754 -1.241 -5.504 1.00 0.30 C ATOM 812 O THR A2108 0.195 -2.271 -5.869 1.00 0.33 O ATOM 813 CB THR A2108 1.705 -0.297 -7.631 1.00 0.33 C ATOM 814 OG1 THR A2108 2.900 0.177 -8.261 1.00 0.37 O ATOM 815 CG2 THR A2108 0.652 0.804 -7.643 1.00 0.35 C ATOM 0 H THR A2108 2.792 -2.600 -6.764 1.00 0.32 H new ATOM 0 HA THR A2108 2.424 0.111 -5.657 1.00 0.30 H new ATOM 0 HB THR A2108 1.311 -1.153 -8.178 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.696 0.463 -9.176 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.449 1.102 -8.672 1.00 0.35 H new ATOM 0 HG22 THR A2108 -0.265 0.435 -7.185 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.018 1.664 -7.081 1.00 0.35 H new ATOM 823 N VAL A2109 0.330 -0.525 -4.483 1.00 0.38 N ATOM 824 CA VAL A2109 -0.870 -0.885 -3.745 1.00 0.46 C ATOM 825 C VAL A2109 -2.052 -0.092 -4.303 1.00 0.52 C ATOM 826 O VAL A2109 -1.910 1.098 -4.568 1.00 0.61 O ATOM 827 CB VAL A2109 -0.696 -0.591 -2.240 1.00 0.60 C ATOM 828 CG1 VAL A2109 -1.671 -1.422 -1.424 1.00 0.76 C ATOM 829 CG2 VAL A2109 0.747 -0.841 -1.793 1.00 0.61 C ATOM 0 H VAL A2109 0.799 0.314 -4.142 1.00 0.38 H new ATOM 0 HA VAL A2109 -1.054 -1.953 -3.860 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.916 0.463 -2.069 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -1.537 -1.204 -0.364 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.692 -1.178 -1.718 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -1.485 -2.481 -1.603 1.00 0.76 H new ATOM 0 HG21 VAL A2109 0.841 -0.626 -0.729 1.00 0.61 H new ATOM 0 HG22 VAL A2109 1.010 -1.883 -1.977 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.419 -0.193 -2.355 1.00 0.61 H new ATOM 839 N LYS A2110 -3.209 -0.733 -4.495 1.00 0.53 N ATOM 840 CA LYS A2110 -4.317 -0.079 -5.191 1.00 0.63 C ATOM 841 C LYS A2110 -5.686 -0.417 -4.592 1.00 0.70 C ATOM 842 O LYS A2110 -6.158 -1.546 -4.681 1.00 0.99 O ATOM 843 CB LYS A2110 -4.324 -0.480 -6.668 1.00 0.67 C ATOM 844 CG LYS A2110 -5.404 0.240 -7.465 1.00 0.85 C ATOM 845 CD LYS A2110 -6.090 -0.676 -8.465 1.00 1.03 C ATOM 846 CE LYS A2110 -6.835 -1.812 -7.768 1.00 1.11 C ATOM 847 NZ LYS A2110 -7.486 -2.734 -8.735 1.00 1.63 N ATOM 0 H LYS A2110 -3.400 -1.686 -4.184 1.00 0.53 H new ATOM 0 HA LYS A2110 -4.155 0.993 -5.078 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.349 -0.262 -7.105 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.475 -1.556 -6.748 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -6.147 0.648 -6.780 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -4.961 1.084 -7.993 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.790 -0.098 -9.068 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -5.348 -1.091 -9.147 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -6.138 -2.374 -7.146 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -7.590 -1.394 -7.102 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -7.979 -3.489 -8.217 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -8.171 -2.205 -9.312 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -6.764 -3.154 -9.354 1.00 1.63 H new ATOM 861 N ARG A2111 -6.340 0.575 -4.018 1.00 0.52 N ATOM 862 CA ARG A2111 -7.722 0.416 -3.582 1.00 0.54 C ATOM 863 C ARG A2111 -8.492 1.690 -3.883 1.00 0.44 C ATOM 864 O ARG A2111 -7.947 2.784 -3.771 1.00 0.47 O ATOM 865 CB ARG A2111 -7.792 0.087 -2.089 1.00 0.62 C ATOM 866 CG ARG A2111 -7.222 1.169 -1.199 1.00 0.62 C ATOM 867 CD ARG A2111 -7.305 0.792 0.266 1.00 0.87 C ATOM 868 NE ARG A2111 -6.715 1.814 1.126 1.00 1.86 N ATOM 869 CZ ARG A2111 -7.120 2.067 2.371 1.00 2.47 C ATOM 870 NH1 ARG A2111 -8.179 1.446 2.873 1.00 2.41 N ATOM 871 NH2 ARG A2111 -6.485 2.969 3.096 1.00 3.47 N ATOM 0 H ARG A2111 -5.942 1.497 -3.842 1.00 0.52 H new ATOM 0 HA ARG A2111 -8.171 -0.416 -4.125 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.832 -0.087 -1.813 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.253 -0.843 -1.906 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -6.182 1.352 -1.469 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.763 2.100 -1.366 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -8.348 0.642 0.544 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -6.793 -0.157 0.426 1.00 0.87 H new ATOM 0 HE ARG A2111 -5.945 2.369 0.751 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -8.690 0.769 2.306 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -8.483 1.645 3.826 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -5.688 3.470 2.703 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -6.792 3.165 4.049 1.00 3.47 H new ATOM 885 N VAL A2112 -9.749 1.561 -4.269 1.00 0.35 N ATOM 886 CA VAL A2112 -10.524 2.737 -4.656 1.00 0.28 C ATOM 887 C VAL A2112 -11.405 3.217 -3.510 1.00 0.25 C ATOM 888 O VAL A2112 -11.817 2.437 -2.654 1.00 0.29 O ATOM 889 CB VAL A2112 -11.387 2.479 -5.914 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.504 2.138 -7.104 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.402 1.374 -5.679 1.00 0.32 C ATOM 0 H VAL A2112 -10.251 0.675 -4.324 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.804 3.518 -4.899 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.936 3.396 -6.130 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -11.127 1.960 -7.980 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.826 2.968 -7.304 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.925 1.242 -6.882 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.990 1.221 -6.584 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.882 0.451 -5.424 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -13.064 1.656 -4.860 1.00 0.32 H new ATOM 901 N ASP A2113 -11.652 4.519 -3.481 1.00 0.26 N ATOM 902 CA ASP A2113 -12.488 5.116 -2.448 1.00 0.31 C ATOM 903 C ASP A2113 -13.957 5.093 -2.860 1.00 0.33 C ATOM 904 O ASP A2113 -14.320 4.438 -3.839 1.00 0.34 O ATOM 905 CB ASP A2113 -12.039 6.552 -2.124 1.00 0.40 C ATOM 906 CG ASP A2113 -12.021 7.480 -3.328 1.00 0.55 C ATOM 907 OD1 ASP A2113 -12.806 7.264 -4.273 1.00 0.85 O ATOM 908 OD2 ASP A2113 -11.224 8.440 -3.325 1.00 1.46 O ATOM 0 H ASP A2113 -11.285 5.184 -4.162 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.374 4.518 -1.544 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.704 6.968 -1.367 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -11.041 6.520 -1.688 1.00 0.40 H new ATOM 913 N LYS A2114 -14.797 5.803 -2.120 1.00 0.40 N ATOM 914 CA LYS A2114 -16.229 5.832 -2.409 1.00 0.46 C ATOM 915 C LYS A2114 -16.518 6.505 -3.754 1.00 0.52 C ATOM 916 O LYS A2114 -17.546 6.244 -4.380 1.00 0.65 O ATOM 917 CB LYS A2114 -16.987 6.541 -1.285 1.00 0.55 C ATOM 918 CG LYS A2114 -16.848 5.856 0.065 1.00 0.58 C ATOM 919 CD LYS A2114 -17.755 6.481 1.112 1.00 0.69 C ATOM 920 CE LYS A2114 -17.589 5.807 2.464 1.00 0.83 C ATOM 921 NZ LYS A2114 -18.580 6.295 3.459 1.00 1.72 N ATOM 0 H LYS A2114 -14.516 6.366 -1.317 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.575 4.800 -2.472 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.624 7.566 -1.203 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -18.043 6.597 -1.548 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.088 4.798 -0.038 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -15.812 5.917 0.399 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -17.529 7.543 1.203 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -18.793 6.402 0.790 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -17.695 4.729 2.346 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -16.581 5.989 2.838 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -18.430 5.809 4.366 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -18.463 7.320 3.592 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -19.542 6.099 3.116 1.00 1.72 H new ATOM 935 N ASN A2115 -15.601 7.354 -4.207 1.00 0.52 N ATOM 936 CA ASN A2115 -15.748 8.025 -5.497 1.00 0.60 C ATOM 937 C ASN A2115 -15.287 7.118 -6.626 1.00 0.54 C ATOM 938 O ASN A2115 -15.744 7.235 -7.762 1.00 0.70 O ATOM 939 CB ASN A2115 -14.938 9.325 -5.539 1.00 0.72 C ATOM 940 CG ASN A2115 -15.543 10.432 -4.703 1.00 0.99 C ATOM 941 OD1 ASN A2115 -16.759 10.511 -4.536 1.00 1.84 O ATOM 942 ND2 ASN A2115 -14.695 11.303 -4.181 1.00 1.11 N ATOM 0 H ASN A2115 -14.748 7.595 -3.702 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.805 8.260 -5.624 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.925 9.126 -5.188 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -14.857 9.662 -6.572 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -15.043 12.077 -3.615 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -13.693 11.200 -4.344 1.00 1.11 H new ATOM 949 N GLY A2116 -14.372 6.218 -6.302 1.00 0.38 N ATOM 950 CA GLY A2116 -13.816 5.330 -7.300 1.00 0.39 C ATOM 951 C GLY A2116 -12.385 5.694 -7.625 1.00 0.38 C ATOM 952 O GLY A2116 -11.809 5.196 -8.592 1.00 0.44 O ATOM 0 H GLY A2116 -14.003 6.087 -5.360 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.859 4.302 -6.939 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -14.420 5.375 -8.206 1.00 0.39 H new ATOM 956 N THR A2117 -11.813 6.567 -6.809 1.00 0.36 N ATOM 957 CA THR A2117 -10.447 7.016 -6.998 1.00 0.38 C ATOM 958 C THR A2117 -9.477 6.115 -6.233 1.00 0.33 C ATOM 959 O THR A2117 -9.571 5.987 -5.011 1.00 0.33 O ATOM 960 CB THR A2117 -10.290 8.475 -6.533 1.00 0.44 C ATOM 961 OG1 THR A2117 -11.230 9.306 -7.233 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.877 8.983 -6.779 1.00 0.54 C ATOM 0 H THR A2117 -12.282 6.980 -6.003 1.00 0.36 H new ATOM 0 HA THR A2117 -10.213 6.960 -8.061 1.00 0.38 H new ATOM 0 HB THR A2117 -10.484 8.515 -5.461 1.00 0.44 H new ATOM 0 HG1 THR A2117 -11.131 10.234 -6.935 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.798 10.016 -6.440 1.00 0.54 H new ATOM 0 HG22 THR A2117 -8.167 8.365 -6.229 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.652 8.932 -7.844 1.00 0.54 H new ATOM 970 N PRO A2118 -8.553 5.450 -6.944 1.00 0.38 N ATOM 971 CA PRO A2118 -7.583 4.545 -6.329 1.00 0.40 C ATOM 972 C PRO A2118 -6.514 5.276 -5.520 1.00 0.35 C ATOM 973 O PRO A2118 -5.770 6.099 -6.052 1.00 0.39 O ATOM 974 CB PRO A2118 -6.934 3.823 -7.521 1.00 0.53 C ATOM 975 CG PRO A2118 -7.756 4.183 -8.713 1.00 0.61 C ATOM 976 CD PRO A2118 -8.383 5.509 -8.402 1.00 0.51 C ATOM 0 HA PRO A2118 -8.071 3.877 -5.620 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.898 4.137 -7.651 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -6.923 2.744 -7.365 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -7.137 4.245 -9.608 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.518 3.427 -8.904 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.744 6.340 -8.702 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -9.335 5.637 -8.916 1.00 0.51 H new ATOM 984 N VAL A2119 -6.453 4.972 -4.231 1.00 0.33 N ATOM 985 CA VAL A2119 -5.350 5.421 -3.395 1.00 0.33 C ATOM 986 C VAL A2119 -4.211 4.435 -3.540 1.00 0.36 C ATOM 987 O VAL A2119 -4.297 3.281 -3.117 1.00 0.39 O ATOM 988 CB VAL A2119 -5.750 5.606 -1.908 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.649 6.821 -1.756 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.443 4.376 -1.356 1.00 0.60 C ATOM 0 H VAL A2119 -7.155 4.416 -3.742 1.00 0.33 H new ATOM 0 HA VAL A2119 -5.040 6.410 -3.734 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.835 5.757 -1.336 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.924 6.941 -0.708 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -6.119 7.711 -2.097 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.550 6.684 -2.354 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.707 4.545 -0.312 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.347 4.179 -1.932 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.773 3.519 -1.426 1.00 0.60 H new ATOM 1000 N THR A2120 -3.167 4.882 -4.200 1.00 0.39 N ATOM 1001 CA THR A2120 -2.101 4.000 -4.601 1.00 0.44 C ATOM 1002 C THR A2120 -0.777 4.407 -3.991 1.00 0.53 C ATOM 1003 O THR A2120 -0.533 5.582 -3.712 1.00 0.67 O ATOM 1004 CB THR A2120 -1.959 3.972 -6.136 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.849 5.309 -6.646 1.00 0.61 O ATOM 1006 CG2 THR A2120 -3.147 3.278 -6.783 1.00 0.55 C ATOM 0 H THR A2120 -3.035 5.857 -4.470 1.00 0.39 H new ATOM 0 HA THR A2120 -2.362 3.006 -4.239 1.00 0.44 H new ATOM 0 HB THR A2120 -1.056 3.413 -6.379 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.758 5.281 -7.621 1.00 0.61 H new ATOM 0 HG21 THR A2120 -3.020 3.273 -7.866 1.00 0.55 H new ATOM 0 HG22 THR A2120 -3.211 2.252 -6.420 1.00 0.55 H new ATOM 0 HG23 THR A2120 -4.063 3.811 -6.528 1.00 0.55 H new ATOM 1014 N ALA A2121 0.063 3.420 -3.767 1.00 0.53 N ATOM 1015 CA ALA A2121 1.441 3.660 -3.407 1.00 0.65 C ATOM 1016 C ALA A2121 2.319 2.849 -4.337 1.00 0.73 C ATOM 1017 O ALA A2121 2.135 1.641 -4.467 1.00 0.69 O ATOM 1018 CB ALA A2121 1.692 3.281 -1.954 1.00 0.70 C ATOM 0 H ALA A2121 -0.189 2.434 -3.829 1.00 0.53 H new ATOM 0 HA ALA A2121 1.675 4.720 -3.509 1.00 0.65 H new ATOM 0 HB1 ALA A2121 2.736 3.470 -1.704 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.050 3.878 -1.306 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.470 2.224 -1.810 1.00 0.70 H new ATOM 1024 N THR A2122 3.257 3.508 -4.984 1.00 0.98 N ATOM 1025 CA THR A2122 4.123 2.851 -5.944 1.00 1.15 C ATOM 1026 C THR A2122 5.549 2.841 -5.422 1.00 0.99 C ATOM 1027 O THR A2122 6.249 3.854 -5.471 1.00 1.22 O ATOM 1028 CB THR A2122 4.065 3.553 -7.317 1.00 1.63 C ATOM 1029 OG1 THR A2122 2.703 3.631 -7.767 1.00 2.19 O ATOM 1030 CG2 THR A2122 4.900 2.807 -8.350 1.00 2.08 C ATOM 0 H THR A2122 3.441 4.504 -4.862 1.00 0.98 H new ATOM 0 HA THR A2122 3.777 1.826 -6.076 1.00 1.15 H new ATOM 0 HB THR A2122 4.474 4.557 -7.202 1.00 1.63 H new ATOM 0 HG1 THR A2122 2.671 4.079 -8.638 1.00 2.19 H new ATOM 0 HG21 THR A2122 4.841 3.324 -9.308 1.00 2.08 H new ATOM 0 HG22 THR A2122 5.938 2.771 -8.021 1.00 2.08 H new ATOM 0 HG23 THR A2122 4.519 1.792 -8.461 1.00 2.08 H new ATOM 1038 N TYR A2123 5.966 1.702 -4.902 1.00 0.85 N ATOM 1039 CA TYR A2123 7.263 1.597 -4.270 1.00 0.77 C ATOM 1040 C TYR A2123 8.310 1.023 -5.209 1.00 0.94 C ATOM 1041 O TYR A2123 8.135 -0.056 -5.777 1.00 1.20 O ATOM 1042 CB TYR A2123 7.161 0.781 -2.986 1.00 0.83 C ATOM 1043 CG TYR A2123 7.117 1.664 -1.770 1.00 1.21 C ATOM 1044 CD1 TYR A2123 8.218 2.434 -1.433 1.00 1.93 C ATOM 1045 CD2 TYR A2123 5.985 1.747 -0.973 1.00 1.82 C ATOM 1046 CE1 TYR A2123 8.201 3.261 -0.335 1.00 2.36 C ATOM 1047 CE2 TYR A2123 5.956 2.573 0.134 1.00 2.26 C ATOM 1048 CZ TYR A2123 7.068 3.331 0.448 1.00 2.25 C ATOM 1049 OH TYR A2123 7.050 4.159 1.547 1.00 2.81 O ATOM 0 H TYR A2123 5.424 0.838 -4.906 1.00 0.85 H new ATOM 0 HA TYR A2123 7.592 2.604 -4.015 1.00 0.77 H new ATOM 0 HB2 TYR A2123 6.265 0.161 -3.019 1.00 0.83 H new ATOM 0 HB3 TYR A2123 8.014 0.106 -2.915 1.00 0.83 H new ATOM 0 HD1 TYR A2123 9.107 2.384 -2.045 1.00 1.93 H new ATOM 0 HD2 TYR A2123 5.114 1.158 -1.221 1.00 1.82 H new ATOM 0 HE1 TYR A2123 9.070 3.852 -0.087 1.00 2.36 H new ATOM 0 HE2 TYR A2123 5.070 2.626 0.750 1.00 2.26 H new ATOM 0 HH TYR A2123 6.135 4.473 1.705 1.00 2.81 H new ATOM 1059 N SER A2124 9.394 1.770 -5.367 1.00 1.07 N ATOM 1060 CA SER A2124 10.475 1.392 -6.257 1.00 1.29 C ATOM 1061 C SER A2124 11.532 0.573 -5.517 1.00 1.24 C ATOM 1062 O SER A2124 11.725 0.739 -4.311 1.00 1.31 O ATOM 1063 CB SER A2124 11.113 2.649 -6.851 1.00 1.66 C ATOM 1064 OG SER A2124 10.143 3.457 -7.501 1.00 2.06 O ATOM 0 H SER A2124 9.546 2.654 -4.881 1.00 1.07 H new ATOM 0 HA SER A2124 10.065 0.776 -7.057 1.00 1.29 H new ATOM 0 HB2 SER A2124 11.598 3.222 -6.061 1.00 1.66 H new ATOM 0 HB3 SER A2124 11.889 2.365 -7.561 1.00 1.66 H new ATOM 0 HG SER A2124 10.576 4.255 -7.870 1.00 2.06 H new ATOM 1070 N PRO A2125 12.223 -0.325 -6.235 1.00 1.46 N ATOM 1071 CA PRO A2125 13.297 -1.134 -5.666 1.00 1.71 C ATOM 1072 C PRO A2125 14.596 -0.348 -5.545 1.00 1.73 C ATOM 1073 O PRO A2125 14.796 0.640 -6.254 1.00 2.16 O ATOM 1074 CB PRO A2125 13.453 -2.268 -6.675 1.00 2.09 C ATOM 1075 CG PRO A2125 13.037 -1.678 -7.979 1.00 2.09 C ATOM 1076 CD PRO A2125 12.007 -0.623 -7.665 1.00 1.75 C ATOM 0 HA PRO A2125 13.069 -1.474 -4.656 1.00 1.71 H new ATOM 0 HB2 PRO A2125 14.482 -2.625 -6.713 1.00 2.09 H new ATOM 0 HB3 PRO A2125 12.829 -3.122 -6.410 1.00 2.09 H new ATOM 0 HG2 PRO A2125 13.891 -1.243 -8.498 1.00 2.09 H new ATOM 0 HG3 PRO A2125 12.621 -2.443 -8.635 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.144 0.265 -8.283 1.00 1.75 H new ATOM 0 HD3 PRO A2125 10.996 -0.986 -7.849 1.00 1.75 H new