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: A2098 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0574) USER MOD Set 1.2: A2099 GLN : amide:sc= -0.681 K(o=-0.68,f=0) USER MOD Set 2.1: A2093 THR OG1 : rot -89:sc= 0.558 USER MOD Set 2.2: A2095 THR OG1 : rot 180:sc= 0.493 USER MOD Set 3.1: A2081 GLN : amide:sc= 0.207 K(o=1.1,f=-2.7!) USER MOD Set 3.2: A2084 TYR OH : rot -89:sc= 0.853 USER MOD Set 4.1: A2077 THR OG1 : rot 180:sc= 0.702 USER MOD Set 4.2: A2083 THR OG1 : rot -123:sc= 0.671 USER MOD Set 5.1: A2068 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A2110 LYS NZ :NH3+ -150:sc= 1.22 (180deg=0.373) USER MOD Single : A2064 THR OG1 : rot 12:sc= 1.26 USER MOD Single : A2073 SER OG : rot 180:sc= 0 USER MOD Single : A2074 LYS NZ :NH3+ 170:sc= -0.0153 (180deg=-0.166) USER MOD Single : A2076 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2085 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A2091 THR OG1 : rot 180:sc= 0 USER MOD Single : A2103 LYS NZ :NH3+ -166:sc= -0.0469 (180deg=-0.248) USER MOD Single : A2108 THR OG1 : rot 180:sc= 0 USER MOD Single : A2114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2115 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A2117 THR OG1 : rot 180:sc= 0 USER MOD Single : A2120 THR OG1 : rot 180:sc= 0 USER MOD Single : A2122 THR OG1 : rot 180:sc= 0 USER MOD Single : A2123 TYR OH : rot 30:sc= 0 USER MOD Single : A2124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A2056 -8.450 8.378 2.311 1.00 1.08 N ATOM 33 CA ASP A2056 -8.513 9.782 1.955 1.00 1.00 C ATOM 34 C ASP A2056 -9.216 10.547 3.062 1.00 1.03 C ATOM 35 O ASP A2056 -10.247 10.094 3.554 1.00 1.04 O ATOM 36 CB ASP A2056 -9.259 9.991 0.638 1.00 1.12 C ATOM 37 CG ASP A2056 -8.757 11.205 -0.112 1.00 1.80 C ATOM 38 OD1 ASP A2056 -7.837 11.055 -0.942 1.00 2.41 O ATOM 39 OD2 ASP A2056 -9.265 12.320 0.131 1.00 2.42 O ATOM 0 HA ASP A2056 -7.495 10.150 1.828 1.00 1.00 H new ATOM 0 HB2 ASP A2056 -9.145 9.106 0.012 1.00 1.12 H new ATOM 0 HB3 ASP A2056 -10.324 10.104 0.839 1.00 1.12 H new ATOM 44 N PRO A2057 -8.665 11.696 3.481 1.00 1.20 N ATOM 45 CA PRO A2057 -9.185 12.473 4.609 1.00 1.36 C ATOM 46 C PRO A2057 -10.707 12.613 4.594 1.00 1.24 C ATOM 47 O PRO A2057 -11.384 12.256 5.563 1.00 1.34 O ATOM 48 CB PRO A2057 -8.524 13.850 4.444 1.00 1.72 C ATOM 49 CG PRO A2057 -7.757 13.792 3.160 1.00 1.71 C ATOM 50 CD PRO A2057 -7.488 12.342 2.896 1.00 1.41 C ATOM 0 HA PRO A2057 -8.960 11.984 5.557 1.00 1.36 H new ATOM 0 HB2 PRO A2057 -9.273 14.641 4.415 1.00 1.72 H new ATOM 0 HB3 PRO A2057 -7.863 14.068 5.283 1.00 1.72 H new ATOM 0 HG2 PRO A2057 -8.329 14.236 2.345 1.00 1.71 H new ATOM 0 HG3 PRO A2057 -6.825 14.352 3.238 1.00 1.71 H new ATOM 0 HD2 PRO A2057 -7.397 12.133 1.830 1.00 1.41 H new ATOM 0 HD3 PRO A2057 -6.564 12.007 3.367 1.00 1.41 H new ATOM 58 N LEU A2058 -11.241 13.119 3.487 1.00 1.18 N ATOM 59 CA LEU A2058 -12.675 13.344 3.367 1.00 1.17 C ATOM 60 C LEU A2058 -13.362 12.248 2.557 1.00 1.00 C ATOM 61 O LEU A2058 -14.577 12.278 2.350 1.00 1.06 O ATOM 62 CB LEU A2058 -12.973 14.755 2.831 1.00 1.35 C ATOM 63 CG LEU A2058 -12.752 15.056 1.351 1.00 1.71 C ATOM 64 CD1 LEU A2058 -11.442 14.483 0.863 1.00 2.34 C ATOM 65 CD2 LEU A2058 -13.925 14.605 0.492 1.00 2.10 C ATOM 0 H LEU A2058 -10.702 13.380 2.662 1.00 1.18 H new ATOM 0 HA LEU A2058 -13.103 13.288 4.368 1.00 1.17 H new ATOM 0 HB2 LEU A2058 -14.016 14.978 3.058 1.00 1.35 H new ATOM 0 HB3 LEU A2058 -12.365 15.457 3.402 1.00 1.35 H new ATOM 0 HG LEU A2058 -12.692 16.140 1.249 1.00 1.71 H new ATOM 0 HD11 LEU A2058 -11.315 14.715 -0.194 1.00 2.34 H new ATOM 0 HD12 LEU A2058 -10.620 14.919 1.431 1.00 2.34 H new ATOM 0 HD13 LEU A2058 -11.444 13.402 1.000 1.00 2.34 H new ATOM 0 HD21 LEU A2058 -13.722 14.840 -0.553 1.00 2.10 H new ATOM 0 HD22 LEU A2058 -14.064 13.529 0.602 1.00 2.10 H new ATOM 0 HD23 LEU A2058 -14.830 15.122 0.811 1.00 2.10 H new ATOM 77 N VAL A2059 -12.590 11.257 2.129 1.00 0.86 N ATOM 78 CA VAL A2059 -13.140 10.143 1.369 1.00 0.74 C ATOM 79 C VAL A2059 -12.651 8.823 1.948 1.00 0.66 C ATOM 80 O VAL A2059 -11.726 8.208 1.417 1.00 0.62 O ATOM 81 CB VAL A2059 -12.744 10.194 -0.121 1.00 0.75 C ATOM 82 CG1 VAL A2059 -13.747 9.421 -0.964 1.00 0.80 C ATOM 83 CG2 VAL A2059 -12.615 11.626 -0.605 1.00 0.87 C ATOM 0 H VAL A2059 -11.585 11.202 2.295 1.00 0.86 H new ATOM 0 HA VAL A2059 -14.225 10.222 1.441 1.00 0.74 H new ATOM 0 HB VAL A2059 -11.768 9.721 -0.230 1.00 0.75 H new ATOM 0 HG11 VAL A2059 -13.453 9.467 -2.013 1.00 0.80 H new ATOM 0 HG12 VAL A2059 -13.770 8.381 -0.639 1.00 0.80 H new ATOM 0 HG13 VAL A2059 -14.737 9.861 -0.845 1.00 0.80 H new ATOM 0 HG21 VAL A2059 -12.335 11.630 -1.658 1.00 0.87 H new ATOM 0 HG22 VAL A2059 -13.569 12.139 -0.481 1.00 0.87 H new ATOM 0 HG23 VAL A2059 -11.849 12.139 -0.024 1.00 0.87 H new ATOM 93 N PRO A2060 -13.251 8.381 3.056 1.00 0.71 N ATOM 94 CA PRO A2060 -12.913 7.098 3.664 1.00 0.72 C ATOM 95 C PRO A2060 -13.150 5.945 2.695 1.00 0.59 C ATOM 96 O PRO A2060 -14.127 5.942 1.942 1.00 0.58 O ATOM 97 CB PRO A2060 -13.859 6.999 4.861 1.00 0.87 C ATOM 98 CG PRO A2060 -14.278 8.400 5.142 1.00 1.04 C ATOM 99 CD PRO A2060 -14.283 9.101 3.816 1.00 0.86 C ATOM 0 HA PRO A2060 -11.862 7.037 3.945 1.00 0.72 H new ATOM 0 HB2 PRO A2060 -14.719 6.369 4.633 1.00 0.87 H new ATOM 0 HB3 PRO A2060 -13.359 6.557 5.723 1.00 0.87 H new ATOM 0 HG2 PRO A2060 -15.266 8.428 5.602 1.00 1.04 H new ATOM 0 HG3 PRO A2060 -13.589 8.882 5.836 1.00 1.04 H new ATOM 0 HD2 PRO A2060 -15.257 9.040 3.331 1.00 0.86 H new ATOM 0 HD3 PRO A2060 -14.044 10.159 3.918 1.00 0.86 H new ATOM 107 N ILE A2061 -12.239 4.984 2.707 1.00 0.62 N ATOM 108 CA ILE A2061 -12.310 3.840 1.807 1.00 0.56 C ATOM 109 C ILE A2061 -13.584 3.031 2.034 1.00 0.51 C ATOM 110 O ILE A2061 -13.931 2.694 3.171 1.00 0.57 O ATOM 111 CB ILE A2061 -11.079 2.920 1.971 1.00 0.69 C ATOM 112 CG1 ILE A2061 -9.789 3.682 1.640 1.00 0.77 C ATOM 113 CG2 ILE A2061 -11.212 1.672 1.106 1.00 0.75 C ATOM 114 CD1 ILE A2061 -9.752 4.263 0.241 1.00 0.76 C ATOM 0 H ILE A2061 -11.435 4.973 3.335 1.00 0.62 H new ATOM 0 HA ILE A2061 -12.322 4.236 0.792 1.00 0.56 H new ATOM 0 HB ILE A2061 -11.029 2.600 3.012 1.00 0.69 H new ATOM 0 HG12 ILE A2061 -9.663 4.490 2.360 1.00 0.77 H new ATOM 0 HG13 ILE A2061 -8.941 3.009 1.764 1.00 0.77 H new ATOM 0 HG21 ILE A2061 -10.333 1.041 1.240 1.00 0.75 H new ATOM 0 HG22 ILE A2061 -12.104 1.119 1.400 1.00 0.75 H new ATOM 0 HG23 ILE A2061 -11.294 1.962 0.059 1.00 0.75 H new ATOM 0 HD11 ILE A2061 -8.807 4.785 0.089 1.00 0.76 H new ATOM 0 HD12 ILE A2061 -9.844 3.459 -0.489 1.00 0.76 H new ATOM 0 HD13 ILE A2061 -10.578 4.964 0.116 1.00 0.76 H new ATOM 126 N ASP A2062 -14.275 2.738 0.939 1.00 0.45 N ATOM 127 CA ASP A2062 -15.497 1.948 0.974 1.00 0.43 C ATOM 128 C ASP A2062 -15.160 0.484 1.228 1.00 0.43 C ATOM 129 O ASP A2062 -14.187 -0.040 0.694 1.00 0.43 O ATOM 130 CB ASP A2062 -16.248 2.105 -0.349 1.00 0.44 C ATOM 131 CG ASP A2062 -17.545 1.323 -0.394 1.00 0.71 C ATOM 132 OD1 ASP A2062 -18.607 1.912 -0.111 1.00 1.42 O ATOM 133 OD2 ASP A2062 -17.515 0.124 -0.732 1.00 1.40 O ATOM 0 H ASP A2062 -14.004 3.041 0.004 1.00 0.45 H new ATOM 0 HA ASP A2062 -16.135 2.302 1.784 1.00 0.43 H new ATOM 0 HB2 ASP A2062 -16.462 3.161 -0.515 1.00 0.44 H new ATOM 0 HB3 ASP A2062 -15.605 1.777 -1.166 1.00 0.44 H new ATOM 138 N GLU A2063 -15.968 -0.175 2.037 1.00 0.47 N ATOM 139 CA GLU A2063 -15.651 -1.519 2.495 1.00 0.52 C ATOM 140 C GLU A2063 -16.137 -2.582 1.518 1.00 0.51 C ATOM 141 O GLU A2063 -15.789 -3.757 1.644 1.00 0.58 O ATOM 142 CB GLU A2063 -16.272 -1.751 3.867 1.00 0.64 C ATOM 143 CG GLU A2063 -15.889 -0.689 4.880 1.00 0.72 C ATOM 144 CD GLU A2063 -16.568 -0.892 6.217 1.00 0.87 C ATOM 145 OE1 GLU A2063 -17.818 -0.889 6.266 1.00 1.55 O ATOM 146 OE2 GLU A2063 -15.856 -1.045 7.229 1.00 1.30 O ATOM 0 H GLU A2063 -16.849 0.196 2.392 1.00 0.47 H new ATOM 0 HA GLU A2063 -14.566 -1.604 2.559 1.00 0.52 H new ATOM 0 HB2 GLU A2063 -17.357 -1.776 3.769 1.00 0.64 H new ATOM 0 HB3 GLU A2063 -15.963 -2.728 4.239 1.00 0.64 H new ATOM 0 HG2 GLU A2063 -14.808 -0.698 5.020 1.00 0.72 H new ATOM 0 HG3 GLU A2063 -16.152 0.294 4.488 1.00 0.72 H new ATOM 153 N THR A2064 -16.937 -2.177 0.545 1.00 0.49 N ATOM 154 CA THR A2064 -17.502 -3.120 -0.407 1.00 0.54 C ATOM 155 C THR A2064 -16.882 -2.965 -1.797 1.00 0.50 C ATOM 156 O THR A2064 -17.363 -3.548 -2.770 1.00 0.59 O ATOM 157 CB THR A2064 -19.036 -2.976 -0.489 1.00 0.60 C ATOM 158 OG1 THR A2064 -19.403 -1.616 -0.759 1.00 0.58 O ATOM 159 CG2 THR A2064 -19.684 -3.422 0.811 1.00 0.69 C ATOM 0 H THR A2064 -17.209 -1.206 0.394 1.00 0.49 H new ATOM 0 HA THR A2064 -17.264 -4.120 -0.043 1.00 0.54 H new ATOM 0 HB THR A2064 -19.388 -3.610 -1.303 1.00 0.60 H new ATOM 0 HG1 THR A2064 -18.607 -1.108 -1.019 1.00 0.58 H new ATOM 0 HG21 THR A2064 -20.766 -3.313 0.734 1.00 0.69 H new ATOM 0 HG22 THR A2064 -19.437 -4.466 1.001 1.00 0.69 H new ATOM 0 HG23 THR A2064 -19.315 -2.807 1.631 1.00 0.69 H new ATOM 167 N VAL A2065 -15.815 -2.180 -1.888 1.00 0.44 N ATOM 168 CA VAL A2065 -15.080 -2.040 -3.142 1.00 0.43 C ATOM 169 C VAL A2065 -13.952 -3.061 -3.203 1.00 0.37 C ATOM 170 O VAL A2065 -13.835 -3.912 -2.321 1.00 0.46 O ATOM 171 CB VAL A2065 -14.482 -0.629 -3.310 1.00 0.48 C ATOM 172 CG1 VAL A2065 -15.578 0.418 -3.361 1.00 0.82 C ATOM 173 CG2 VAL A2065 -13.493 -0.325 -2.197 1.00 0.57 C ATOM 0 H VAL A2065 -15.440 -1.633 -1.113 1.00 0.44 H new ATOM 0 HA VAL A2065 -15.792 -2.209 -3.950 1.00 0.43 H new ATOM 0 HB VAL A2065 -13.943 -0.600 -4.257 1.00 0.48 H new ATOM 0 HG11 VAL A2065 -15.132 1.406 -3.480 1.00 0.82 H new ATOM 0 HG12 VAL A2065 -16.238 0.214 -4.204 1.00 0.82 H new ATOM 0 HG13 VAL A2065 -16.153 0.388 -2.435 1.00 0.82 H new ATOM 0 HG21 VAL A2065 -13.084 0.676 -2.337 1.00 0.57 H new ATOM 0 HG22 VAL A2065 -14.001 -0.378 -1.234 1.00 0.57 H new ATOM 0 HG23 VAL A2065 -12.683 -1.054 -2.221 1.00 0.57 H new ATOM 183 N GLU A2066 -13.135 -2.980 -4.244 1.00 0.34 N ATOM 184 CA GLU A2066 -11.986 -3.861 -4.382 1.00 0.32 C ATOM 185 C GLU A2066 -10.718 -3.178 -3.883 1.00 0.26 C ATOM 186 O GLU A2066 -10.195 -2.267 -4.534 1.00 0.28 O ATOM 187 CB GLU A2066 -11.783 -4.280 -5.840 1.00 0.40 C ATOM 188 CG GLU A2066 -10.571 -5.180 -6.040 1.00 0.43 C ATOM 189 CD GLU A2066 -10.174 -5.327 -7.493 1.00 0.61 C ATOM 190 OE1 GLU A2066 -9.275 -4.584 -7.946 1.00 0.68 O ATOM 191 OE2 GLU A2066 -10.753 -6.187 -8.191 1.00 0.78 O ATOM 0 H GLU A2066 -13.248 -2.312 -5.006 1.00 0.34 H new ATOM 0 HA GLU A2066 -12.184 -4.747 -3.779 1.00 0.32 H new ATOM 0 HB2 GLU A2066 -12.675 -4.799 -6.190 1.00 0.40 H new ATOM 0 HB3 GLU A2066 -11.671 -3.388 -6.456 1.00 0.40 H new ATOM 0 HG2 GLU A2066 -9.729 -4.775 -5.479 1.00 0.43 H new ATOM 0 HG3 GLU A2066 -10.786 -6.166 -5.627 1.00 0.43 H new ATOM 198 N PRO A2067 -10.230 -3.564 -2.701 1.00 0.27 N ATOM 199 CA PRO A2067 -8.922 -3.176 -2.238 1.00 0.30 C ATOM 200 C PRO A2067 -7.910 -4.300 -2.457 1.00 0.28 C ATOM 201 O PRO A2067 -7.912 -5.307 -1.748 1.00 0.34 O ATOM 202 CB PRO A2067 -9.176 -2.934 -0.748 1.00 0.41 C ATOM 203 CG PRO A2067 -10.381 -3.771 -0.394 1.00 0.45 C ATOM 204 CD PRO A2067 -10.919 -4.356 -1.681 1.00 0.37 C ATOM 0 HA PRO A2067 -8.503 -2.314 -2.756 1.00 0.30 H new ATOM 0 HB2 PRO A2067 -8.310 -3.223 -0.152 1.00 0.41 H new ATOM 0 HB3 PRO A2067 -9.361 -1.878 -0.549 1.00 0.41 H new ATOM 0 HG2 PRO A2067 -10.107 -4.563 0.303 1.00 0.45 H new ATOM 0 HG3 PRO A2067 -11.140 -3.163 0.098 1.00 0.45 H new ATOM 0 HD2 PRO A2067 -10.692 -5.418 -1.770 1.00 0.37 H new ATOM 0 HD3 PRO A2067 -12.002 -4.255 -1.751 1.00 0.37 H new ATOM 212 N THR A2068 -7.041 -4.118 -3.438 1.00 0.29 N ATOM 213 CA THR A2068 -6.069 -5.137 -3.803 1.00 0.32 C ATOM 214 C THR A2068 -4.772 -4.485 -4.248 1.00 0.39 C ATOM 215 O THR A2068 -4.776 -3.401 -4.823 1.00 0.70 O ATOM 216 CB THR A2068 -6.589 -6.033 -4.950 1.00 0.34 C ATOM 217 OG1 THR A2068 -6.991 -5.227 -6.063 1.00 0.38 O ATOM 218 CG2 THR A2068 -7.754 -6.899 -4.499 1.00 0.36 C ATOM 0 H THR A2068 -6.989 -3.268 -4.000 1.00 0.29 H new ATOM 0 HA THR A2068 -5.900 -5.755 -2.921 1.00 0.32 H new ATOM 0 HB THR A2068 -5.773 -6.691 -5.250 1.00 0.34 H new ATOM 0 HG1 THR A2068 -7.317 -5.805 -6.784 1.00 0.38 H new ATOM 0 HG21 THR A2068 -8.093 -7.515 -5.332 1.00 0.36 H new ATOM 0 HG22 THR A2068 -7.434 -7.542 -3.679 1.00 0.36 H new ATOM 0 HG23 THR A2068 -8.572 -6.262 -4.162 1.00 0.36 H new ATOM 226 N PHE A2069 -3.661 -5.141 -3.987 1.00 0.25 N ATOM 227 CA PHE A2069 -2.374 -4.619 -4.406 1.00 0.26 C ATOM 228 C PHE A2069 -2.258 -4.775 -5.910 1.00 0.27 C ATOM 229 O PHE A2069 -2.897 -5.663 -6.469 1.00 0.31 O ATOM 230 CB PHE A2069 -1.226 -5.348 -3.702 1.00 0.31 C ATOM 231 CG PHE A2069 -1.239 -5.237 -2.198 1.00 0.28 C ATOM 232 CD1 PHE A2069 -0.090 -5.486 -1.473 1.00 1.14 C ATOM 233 CD2 PHE A2069 -2.396 -4.896 -1.509 1.00 1.12 C ATOM 234 CE1 PHE A2069 -0.095 -5.399 -0.098 1.00 1.16 C ATOM 235 CE2 PHE A2069 -2.405 -4.807 -0.137 1.00 1.15 C ATOM 236 CZ PHE A2069 -1.254 -5.058 0.569 1.00 0.42 C ATOM 0 H PHE A2069 -3.621 -6.031 -3.490 1.00 0.25 H new ATOM 0 HA PHE A2069 -2.306 -3.566 -4.133 1.00 0.26 H new ATOM 0 HB2 PHE A2069 -1.261 -6.403 -3.975 1.00 0.31 H new ATOM 0 HB3 PHE A2069 -0.280 -4.953 -4.074 1.00 0.31 H new ATOM 0 HD1 PHE A2069 0.821 -5.751 -1.989 1.00 1.14 H new ATOM 0 HD2 PHE A2069 -3.303 -4.698 -2.060 1.00 1.12 H new ATOM 0 HE1 PHE A2069 0.809 -5.598 0.458 1.00 1.16 H new ATOM 0 HE2 PHE A2069 -3.313 -4.541 0.383 1.00 1.15 H new ATOM 0 HZ PHE A2069 -1.256 -4.988 1.647 1.00 0.42 H new ATOM 246 N GLU A2070 -1.463 -3.931 -6.556 1.00 0.30 N ATOM 247 CA GLU A2070 -1.391 -3.900 -8.019 1.00 0.36 C ATOM 248 C GLU A2070 -1.165 -5.301 -8.590 1.00 0.36 C ATOM 249 O GLU A2070 -1.826 -5.710 -9.545 1.00 0.44 O ATOM 250 CB GLU A2070 -0.266 -2.967 -8.469 1.00 0.52 C ATOM 251 CG GLU A2070 -0.152 -2.816 -9.976 1.00 0.66 C ATOM 252 CD GLU A2070 1.083 -2.043 -10.388 1.00 1.36 C ATOM 253 OE1 GLU A2070 0.968 -0.833 -10.679 1.00 2.09 O ATOM 254 OE2 GLU A2070 2.177 -2.644 -10.408 1.00 2.01 O ATOM 0 H GLU A2070 -0.856 -3.255 -6.092 1.00 0.30 H new ATOM 0 HA GLU A2070 -2.343 -3.527 -8.397 1.00 0.36 H new ATOM 0 HB2 GLU A2070 -0.425 -1.983 -8.027 1.00 0.52 H new ATOM 0 HB3 GLU A2070 0.680 -3.342 -8.079 1.00 0.52 H new ATOM 0 HG2 GLU A2070 -0.129 -3.804 -10.436 1.00 0.66 H new ATOM 0 HG3 GLU A2070 -1.039 -2.308 -10.355 1.00 0.66 H new ATOM 261 N ASP A2071 -0.261 -6.041 -7.958 1.00 0.40 N ATOM 262 CA ASP A2071 0.107 -7.383 -8.406 1.00 0.53 C ATOM 263 C ASP A2071 -0.957 -8.422 -8.014 1.00 0.50 C ATOM 264 O ASP A2071 -0.808 -9.616 -8.276 1.00 0.62 O ATOM 265 CB ASP A2071 1.470 -7.752 -7.809 1.00 0.69 C ATOM 266 CG ASP A2071 2.033 -9.048 -8.356 1.00 1.42 C ATOM 267 OD1 ASP A2071 2.293 -9.120 -9.575 1.00 2.06 O ATOM 268 OD2 ASP A2071 2.238 -9.994 -7.566 1.00 2.15 O ATOM 0 H ASP A2071 0.237 -5.731 -7.124 1.00 0.40 H new ATOM 0 HA ASP A2071 0.169 -7.385 -9.494 1.00 0.53 H new ATOM 0 HB2 ASP A2071 2.176 -6.945 -8.007 1.00 0.69 H new ATOM 0 HB3 ASP A2071 1.374 -7.834 -6.726 1.00 0.69 H new ATOM 273 N GLY A2072 -2.039 -7.958 -7.398 1.00 0.43 N ATOM 274 CA GLY A2072 -3.113 -8.847 -6.995 1.00 0.48 C ATOM 275 C GLY A2072 -2.876 -9.464 -5.633 1.00 0.48 C ATOM 276 O GLY A2072 -3.324 -10.578 -5.364 1.00 0.63 O ATOM 0 H GLY A2072 -2.192 -6.976 -7.169 1.00 0.43 H new ATOM 0 HA2 GLY A2072 -4.052 -8.294 -6.981 1.00 0.48 H new ATOM 0 HA3 GLY A2072 -3.221 -9.640 -7.735 1.00 0.48 H new ATOM 280 N SER A2073 -2.175 -8.742 -4.773 1.00 0.37 N ATOM 281 CA SER A2073 -1.818 -9.258 -3.457 1.00 0.38 C ATOM 282 C SER A2073 -2.741 -8.688 -2.377 1.00 0.35 C ATOM 283 O SER A2073 -3.432 -7.690 -2.599 1.00 0.38 O ATOM 284 CB SER A2073 -0.362 -8.910 -3.146 1.00 0.46 C ATOM 285 OG SER A2073 0.484 -9.266 -4.227 1.00 0.89 O ATOM 0 H SER A2073 -1.841 -7.797 -4.961 1.00 0.37 H new ATOM 0 HA SER A2073 -1.937 -10.342 -3.464 1.00 0.38 H new ATOM 0 HB2 SER A2073 -0.274 -7.842 -2.946 1.00 0.46 H new ATOM 0 HB3 SER A2073 -0.044 -9.431 -2.243 1.00 0.46 H new ATOM 0 HG SER A2073 1.410 -9.033 -4.008 1.00 0.89 H new ATOM 291 N LYS A2074 -2.758 -9.341 -1.217 1.00 0.35 N ATOM 292 CA LYS A2074 -3.574 -8.901 -0.087 1.00 0.34 C ATOM 293 C LYS A2074 -2.692 -8.491 1.096 1.00 0.34 C ATOM 294 O LYS A2074 -3.134 -7.785 2.003 1.00 0.42 O ATOM 295 CB LYS A2074 -4.542 -10.012 0.329 1.00 0.39 C ATOM 296 CG LYS A2074 -5.582 -10.350 -0.733 1.00 0.53 C ATOM 297 CD LYS A2074 -6.548 -9.196 -0.959 1.00 0.43 C ATOM 298 CE LYS A2074 -7.572 -9.513 -2.039 1.00 0.55 C ATOM 299 NZ LYS A2074 -8.385 -10.711 -1.708 1.00 1.13 N ATOM 0 H LYS A2074 -2.212 -10.183 -1.034 1.00 0.35 H new ATOM 0 HA LYS A2074 -4.150 -8.030 -0.398 1.00 0.34 H new ATOM 0 HB2 LYS A2074 -3.971 -10.910 0.564 1.00 0.39 H new ATOM 0 HB3 LYS A2074 -5.054 -9.712 1.243 1.00 0.39 H new ATOM 0 HG2 LYS A2074 -5.080 -10.594 -1.669 1.00 0.53 H new ATOM 0 HG3 LYS A2074 -6.138 -11.237 -0.429 1.00 0.53 H new ATOM 0 HD2 LYS A2074 -7.064 -8.967 -0.026 1.00 0.43 H new ATOM 0 HD3 LYS A2074 -5.988 -8.304 -1.241 1.00 0.43 H new ATOM 0 HE2 LYS A2074 -8.231 -8.655 -2.175 1.00 0.55 H new ATOM 0 HE3 LYS A2074 -7.059 -9.675 -2.987 1.00 0.55 H new ATOM 0 HZ1 LYS A2074 -9.175 -10.791 -2.380 1.00 1.13 H new ATOM 0 HZ2 LYS A2074 -7.790 -11.562 -1.770 1.00 1.13 H new ATOM 0 HZ3 LYS A2074 -8.760 -10.620 -0.742 1.00 1.13 H new ATOM 313 N GLU A2075 -1.453 -8.957 1.085 1.00 0.33 N ATOM 314 CA GLU A2075 -0.451 -8.536 2.055 1.00 0.32 C ATOM 315 C GLU A2075 0.938 -8.739 1.478 1.00 0.34 C ATOM 316 O GLU A2075 1.283 -9.829 1.019 1.00 0.47 O ATOM 317 CB GLU A2075 -0.600 -9.288 3.387 1.00 0.36 C ATOM 318 CG GLU A2075 0.687 -9.413 4.189 1.00 0.91 C ATOM 319 CD GLU A2075 0.525 -10.293 5.410 1.00 1.40 C ATOM 320 OE1 GLU A2075 0.123 -9.784 6.473 1.00 2.08 O ATOM 321 OE2 GLU A2075 0.797 -11.508 5.309 1.00 1.88 O ATOM 0 H GLU A2075 -1.113 -9.637 0.405 1.00 0.33 H new ATOM 0 HA GLU A2075 -0.602 -7.477 2.263 1.00 0.32 H new ATOM 0 HB2 GLU A2075 -1.345 -8.777 3.997 1.00 0.36 H new ATOM 0 HB3 GLU A2075 -0.985 -10.287 3.184 1.00 0.36 H new ATOM 0 HG2 GLU A2075 1.471 -9.822 3.551 1.00 0.91 H new ATOM 0 HG3 GLU A2075 1.015 -8.421 4.501 1.00 0.91 H new ATOM 328 N LYS A2076 1.718 -7.679 1.484 1.00 0.35 N ATOM 329 CA LYS A2076 3.080 -7.737 0.997 1.00 0.38 C ATOM 330 C LYS A2076 4.032 -7.425 2.129 1.00 0.37 C ATOM 331 O LYS A2076 3.979 -6.339 2.707 1.00 0.37 O ATOM 332 CB LYS A2076 3.303 -6.732 -0.131 1.00 0.44 C ATOM 333 CG LYS A2076 4.720 -6.747 -0.678 1.00 0.88 C ATOM 334 CD LYS A2076 4.991 -7.983 -1.516 1.00 0.91 C ATOM 335 CE LYS A2076 6.482 -8.253 -1.634 1.00 0.88 C ATOM 336 NZ LYS A2076 6.782 -9.275 -2.672 1.00 1.48 N ATOM 0 H LYS A2076 1.430 -6.761 1.823 1.00 0.35 H new ATOM 0 HA LYS A2076 3.263 -8.740 0.613 1.00 0.38 H new ATOM 0 HB2 LYS A2076 2.606 -6.945 -0.941 1.00 0.44 H new ATOM 0 HB3 LYS A2076 3.072 -5.731 0.233 1.00 0.44 H new ATOM 0 HG2 LYS A2076 4.885 -5.855 -1.283 1.00 0.88 H new ATOM 0 HG3 LYS A2076 5.429 -6.707 0.149 1.00 0.88 H new ATOM 0 HD2 LYS A2076 4.497 -8.845 -1.067 1.00 0.91 H new ATOM 0 HD3 LYS A2076 4.563 -7.852 -2.510 1.00 0.91 H new ATOM 0 HE2 LYS A2076 7.000 -7.326 -1.878 1.00 0.88 H new ATOM 0 HE3 LYS A2076 6.867 -8.590 -0.671 1.00 0.88 H new ATOM 0 HZ1 LYS A2076 7.809 -9.430 -2.720 1.00 1.48 H new ATOM 0 HZ2 LYS A2076 6.309 -10.168 -2.427 1.00 1.48 H new ATOM 0 HZ3 LYS A2076 6.438 -8.943 -3.596 1.00 1.48 H new ATOM 350 N THR A2077 4.884 -8.370 2.454 1.00 0.45 N ATOM 351 CA THR A2077 5.884 -8.139 3.465 1.00 0.47 C ATOM 352 C THR A2077 7.271 -8.110 2.856 1.00 0.52 C ATOM 353 O THR A2077 7.763 -9.108 2.330 1.00 0.63 O ATOM 354 CB THR A2077 5.833 -9.190 4.584 1.00 0.50 C ATOM 355 OG1 THR A2077 4.548 -9.163 5.224 1.00 0.48 O ATOM 356 CG2 THR A2077 6.925 -8.920 5.607 1.00 0.55 C ATOM 0 H THR A2077 4.903 -9.300 2.035 1.00 0.45 H new ATOM 0 HA THR A2077 5.663 -7.167 3.907 1.00 0.47 H new ATOM 0 HB THR A2077 5.994 -10.176 4.147 1.00 0.50 H new ATOM 0 HG1 THR A2077 4.523 -9.837 5.935 1.00 0.48 H new ATOM 0 HG21 THR A2077 6.879 -9.671 6.395 1.00 0.55 H new ATOM 0 HG22 THR A2077 7.899 -8.965 5.120 1.00 0.55 H new ATOM 0 HG23 THR A2077 6.781 -7.930 6.040 1.00 0.55 H new ATOM 364 N ILE A2078 7.880 -6.946 2.909 1.00 0.51 N ATOM 365 CA ILE A2078 9.248 -6.786 2.481 1.00 0.60 C ATOM 366 C ILE A2078 10.108 -6.528 3.713 1.00 0.60 C ATOM 367 O ILE A2078 9.939 -5.511 4.382 1.00 0.53 O ATOM 368 CB ILE A2078 9.375 -5.635 1.466 1.00 0.67 C ATOM 369 CG1 ILE A2078 8.487 -5.919 0.251 1.00 0.75 C ATOM 370 CG2 ILE A2078 10.828 -5.458 1.039 1.00 0.80 C ATOM 371 CD1 ILE A2078 8.244 -4.713 -0.628 1.00 1.62 C ATOM 0 H ILE A2078 7.442 -6.090 3.248 1.00 0.51 H new ATOM 0 HA ILE A2078 9.588 -7.692 1.980 1.00 0.60 H new ATOM 0 HB ILE A2078 9.045 -4.708 1.936 1.00 0.67 H new ATOM 0 HG12 ILE A2078 8.948 -6.705 -0.347 1.00 0.75 H new ATOM 0 HG13 ILE A2078 7.527 -6.303 0.597 1.00 0.75 H new ATOM 0 HG21 ILE A2078 10.899 -4.640 0.322 1.00 0.80 H new ATOM 0 HG22 ILE A2078 11.439 -5.229 1.912 1.00 0.80 H new ATOM 0 HG23 ILE A2078 11.186 -6.378 0.577 1.00 0.80 H new ATOM 0 HD11 ILE A2078 7.607 -4.996 -1.466 1.00 1.62 H new ATOM 0 HD12 ILE A2078 7.754 -3.932 -0.047 1.00 1.62 H new ATOM 0 HD13 ILE A2078 9.196 -4.340 -1.006 1.00 1.62 H new ATOM 383 N PRO A2079 11.008 -7.471 4.039 1.00 0.72 N ATOM 384 CA PRO A2079 11.788 -7.453 5.289 1.00 0.79 C ATOM 385 C PRO A2079 12.425 -6.100 5.601 1.00 0.74 C ATOM 386 O PRO A2079 13.363 -5.670 4.928 1.00 0.76 O ATOM 387 CB PRO A2079 12.872 -8.496 5.034 1.00 0.94 C ATOM 388 CG PRO A2079 12.255 -9.455 4.077 1.00 0.98 C ATOM 389 CD PRO A2079 11.339 -8.643 3.205 1.00 0.85 C ATOM 0 HA PRO A2079 11.152 -7.655 6.151 1.00 0.79 H new ATOM 0 HB2 PRO A2079 13.769 -8.040 4.615 1.00 0.94 H new ATOM 0 HB3 PRO A2079 13.168 -8.993 5.958 1.00 0.94 H new ATOM 0 HG2 PRO A2079 13.018 -9.956 3.481 1.00 0.98 H new ATOM 0 HG3 PRO A2079 11.703 -10.232 4.606 1.00 0.98 H new ATOM 0 HD2 PRO A2079 11.828 -8.348 2.276 1.00 0.85 H new ATOM 0 HD3 PRO A2079 10.446 -9.204 2.931 1.00 0.85 H new ATOM 397 N GLY A2080 11.899 -5.435 6.624 1.00 0.73 N ATOM 398 CA GLY A2080 12.457 -4.170 7.063 1.00 0.76 C ATOM 399 C GLY A2080 11.843 -2.981 6.352 1.00 0.70 C ATOM 400 O GLY A2080 12.032 -1.836 6.768 1.00 0.94 O ATOM 0 H GLY A2080 11.091 -5.752 7.160 1.00 0.73 H new ATOM 0 HA2 GLY A2080 12.305 -4.064 8.137 1.00 0.76 H new ATOM 0 HA3 GLY A2080 13.534 -4.174 6.892 1.00 0.76 H new ATOM 404 N GLN A2081 11.090 -3.253 5.298 1.00 0.54 N ATOM 405 CA GLN A2081 10.524 -2.203 4.459 1.00 0.53 C ATOM 406 C GLN A2081 9.077 -1.939 4.859 1.00 0.50 C ATOM 407 O GLN A2081 8.563 -0.831 4.692 1.00 0.57 O ATOM 408 CB GLN A2081 10.636 -2.628 2.988 1.00 0.57 C ATOM 409 CG GLN A2081 10.207 -1.586 1.959 1.00 0.95 C ATOM 410 CD GLN A2081 8.789 -1.790 1.451 1.00 1.09 C ATOM 411 OE1 GLN A2081 7.904 -2.225 2.182 1.00 2.02 O ATOM 412 NE2 GLN A2081 8.573 -1.518 0.172 1.00 0.87 N ATOM 0 H GLN A2081 10.854 -4.199 5.000 1.00 0.54 H new ATOM 0 HA GLN A2081 11.075 -1.273 4.595 1.00 0.53 H new ATOM 0 HB2 GLN A2081 11.671 -2.904 2.787 1.00 0.57 H new ATOM 0 HB3 GLN A2081 10.033 -3.524 2.842 1.00 0.57 H new ATOM 0 HG2 GLN A2081 10.287 -0.593 2.402 1.00 0.95 H new ATOM 0 HG3 GLN A2081 10.896 -1.615 1.115 1.00 0.95 H new ATOM 0 HE21 GLN A2081 9.331 -1.157 -0.408 1.00 0.87 H new ATOM 0 HE22 GLN A2081 7.649 -1.669 -0.233 1.00 0.87 H new ATOM 421 N GLY A2082 8.423 -2.969 5.381 1.00 0.47 N ATOM 422 CA GLY A2082 7.092 -2.802 5.920 1.00 0.50 C ATOM 423 C GLY A2082 6.114 -3.834 5.397 1.00 0.40 C ATOM 424 O GLY A2082 6.500 -4.784 4.707 1.00 0.45 O ATOM 0 H GLY A2082 8.793 -3.918 5.440 1.00 0.47 H new ATOM 0 HA2 GLY A2082 7.134 -2.866 7.007 1.00 0.50 H new ATOM 0 HA3 GLY A2082 6.727 -1.805 5.674 1.00 0.50 H new ATOM 428 N THR A2083 4.849 -3.663 5.750 1.00 0.33 N ATOM 429 CA THR A2083 3.789 -4.529 5.268 1.00 0.29 C ATOM 430 C THR A2083 2.491 -3.751 5.127 1.00 0.25 C ATOM 431 O THR A2083 2.151 -2.900 5.955 1.00 0.30 O ATOM 432 CB THR A2083 3.566 -5.745 6.196 1.00 0.36 C ATOM 433 OG1 THR A2083 4.782 -6.499 6.283 1.00 0.49 O ATOM 434 CG2 THR A2083 2.439 -6.648 5.683 1.00 0.36 C ATOM 0 H THR A2083 4.531 -2.923 6.376 1.00 0.33 H new ATOM 0 HA THR A2083 4.100 -4.903 4.293 1.00 0.29 H new ATOM 0 HB THR A2083 3.277 -5.375 7.180 1.00 0.36 H new ATOM 0 HG1 THR A2083 4.616 -7.422 5.999 1.00 0.49 H new ATOM 0 HG21 THR A2083 2.312 -7.492 6.361 1.00 0.36 H new ATOM 0 HG22 THR A2083 1.511 -6.079 5.634 1.00 0.36 H new ATOM 0 HG23 THR A2083 2.692 -7.016 4.689 1.00 0.36 H new ATOM 442 N TYR A2084 1.791 -4.028 4.054 1.00 0.28 N ATOM 443 CA TYR A2084 0.489 -3.451 3.818 1.00 0.34 C ATOM 444 C TYR A2084 -0.519 -4.582 3.863 1.00 0.32 C ATOM 445 O TYR A2084 -0.291 -5.629 3.257 1.00 0.29 O ATOM 446 CB TYR A2084 0.472 -2.746 2.459 1.00 0.43 C ATOM 447 CG TYR A2084 1.854 -2.333 1.993 1.00 0.44 C ATOM 448 CD1 TYR A2084 2.578 -3.141 1.125 1.00 1.13 C ATOM 449 CD2 TYR A2084 2.443 -1.156 2.438 1.00 1.38 C ATOM 450 CE1 TYR A2084 3.846 -2.790 0.713 1.00 1.15 C ATOM 451 CE2 TYR A2084 3.713 -0.796 2.025 1.00 1.44 C ATOM 452 CZ TYR A2084 4.409 -1.619 1.163 1.00 0.62 C ATOM 453 OH TYR A2084 5.676 -1.276 0.757 1.00 0.76 O ATOM 0 H TYR A2084 2.108 -4.660 3.319 1.00 0.28 H new ATOM 0 HA TYR A2084 0.243 -2.705 4.574 1.00 0.34 H new ATOM 0 HB2 TYR A2084 0.026 -3.409 1.717 1.00 0.43 H new ATOM 0 HB3 TYR A2084 -0.164 -1.863 2.521 1.00 0.43 H new ATOM 0 HD1 TYR A2084 2.140 -4.061 0.767 1.00 1.13 H new ATOM 0 HD2 TYR A2084 1.901 -0.513 3.116 1.00 1.38 H new ATOM 0 HE1 TYR A2084 4.395 -3.432 0.040 1.00 1.15 H new ATOM 0 HE2 TYR A2084 4.158 0.124 2.375 1.00 1.44 H new ATOM 0 HH TYR A2084 6.333 -1.659 1.375 1.00 0.76 H new ATOM 463 N THR A2085 -1.596 -4.409 4.604 1.00 0.39 N ATOM 464 CA THR A2085 -2.547 -5.491 4.787 1.00 0.40 C ATOM 465 C THR A2085 -3.971 -5.065 4.462 1.00 0.41 C ATOM 466 O THR A2085 -4.453 -4.034 4.942 1.00 0.49 O ATOM 467 CB THR A2085 -2.494 -6.040 6.228 1.00 0.46 C ATOM 468 OG1 THR A2085 -2.573 -4.963 7.167 1.00 0.63 O ATOM 469 CG2 THR A2085 -1.216 -6.826 6.468 1.00 0.57 C ATOM 0 H THR A2085 -1.834 -3.541 5.084 1.00 0.39 H new ATOM 0 HA THR A2085 -2.257 -6.277 4.089 1.00 0.40 H new ATOM 0 HB THR A2085 -3.344 -6.709 6.364 1.00 0.46 H new ATOM 0 HG1 THR A2085 -2.540 -5.321 8.079 1.00 0.63 H new ATOM 0 HG21 THR A2085 -1.206 -7.201 7.492 1.00 0.57 H new ATOM 0 HG22 THR A2085 -1.169 -7.665 5.774 1.00 0.57 H new ATOM 0 HG23 THR A2085 -0.355 -6.177 6.311 1.00 0.57 H new ATOM 477 N ILE A2086 -4.625 -5.851 3.620 1.00 0.39 N ATOM 478 CA ILE A2086 -6.044 -5.688 3.370 1.00 0.40 C ATOM 479 C ILE A2086 -6.790 -6.931 3.819 1.00 0.45 C ATOM 480 O ILE A2086 -6.410 -8.058 3.486 1.00 0.55 O ATOM 481 CB ILE A2086 -6.358 -5.375 1.877 1.00 0.47 C ATOM 482 CG1 ILE A2086 -7.874 -5.447 1.590 1.00 0.56 C ATOM 483 CG2 ILE A2086 -5.589 -6.296 0.945 1.00 0.57 C ATOM 484 CD1 ILE A2086 -8.388 -6.810 1.158 1.00 1.18 C ATOM 0 H ILE A2086 -4.190 -6.611 3.097 1.00 0.39 H new ATOM 0 HA ILE A2086 -6.380 -4.827 3.948 1.00 0.40 H new ATOM 0 HB ILE A2086 -6.030 -4.353 1.686 1.00 0.47 H new ATOM 0 HG12 ILE A2086 -8.412 -5.142 2.487 1.00 0.56 H new ATOM 0 HG13 ILE A2086 -8.115 -4.723 0.812 1.00 0.56 H new ATOM 0 HG21 ILE A2086 -5.831 -6.051 -0.089 1.00 0.57 H new ATOM 0 HG22 ILE A2086 -4.519 -6.167 1.108 1.00 0.57 H new ATOM 0 HG23 ILE A2086 -5.865 -7.331 1.147 1.00 0.57 H new ATOM 0 HD11 ILE A2086 -9.462 -6.755 0.981 1.00 1.18 H new ATOM 0 HD12 ILE A2086 -7.885 -7.115 0.240 1.00 1.18 H new ATOM 0 HD13 ILE A2086 -8.187 -7.540 1.942 1.00 1.18 H new ATOM 496 N VAL A2087 -7.832 -6.728 4.602 1.00 0.49 N ATOM 497 CA VAL A2087 -8.704 -7.814 4.990 1.00 0.59 C ATOM 498 C VAL A2087 -10.116 -7.544 4.475 1.00 0.58 C ATOM 499 O VAL A2087 -10.552 -6.385 4.417 1.00 0.53 O ATOM 500 CB VAL A2087 -8.704 -8.040 6.516 1.00 0.73 C ATOM 501 CG1 VAL A2087 -7.327 -8.478 6.985 1.00 0.78 C ATOM 502 CG2 VAL A2087 -9.141 -6.791 7.254 1.00 0.80 C ATOM 0 H VAL A2087 -8.094 -5.818 4.981 1.00 0.49 H new ATOM 0 HA VAL A2087 -8.326 -8.732 4.539 1.00 0.59 H new ATOM 0 HB VAL A2087 -9.420 -8.831 6.740 1.00 0.73 H new ATOM 0 HG11 VAL A2087 -7.342 -8.634 8.064 1.00 0.78 H new ATOM 0 HG12 VAL A2087 -7.052 -9.408 6.488 1.00 0.78 H new ATOM 0 HG13 VAL A2087 -6.597 -7.707 6.740 1.00 0.78 H new ATOM 0 HG21 VAL A2087 -9.131 -6.980 8.327 1.00 0.80 H new ATOM 0 HG22 VAL A2087 -8.457 -5.974 7.023 1.00 0.80 H new ATOM 0 HG23 VAL A2087 -10.150 -6.519 6.943 1.00 0.80 H new ATOM 512 N PRO A2088 -10.835 -8.615 4.090 1.00 0.66 N ATOM 513 CA PRO A2088 -12.110 -8.527 3.349 1.00 0.68 C ATOM 514 C PRO A2088 -13.218 -7.760 4.073 1.00 0.66 C ATOM 515 O PRO A2088 -14.285 -7.530 3.501 1.00 0.69 O ATOM 516 CB PRO A2088 -12.520 -9.992 3.155 1.00 0.81 C ATOM 517 CG PRO A2088 -11.750 -10.754 4.178 1.00 0.97 C ATOM 518 CD PRO A2088 -10.457 -10.016 4.349 1.00 0.78 C ATOM 0 HA PRO A2088 -11.970 -7.967 2.424 1.00 0.68 H new ATOM 0 HB2 PRO A2088 -13.593 -10.122 3.293 1.00 0.81 H new ATOM 0 HB3 PRO A2088 -12.284 -10.336 2.148 1.00 0.81 H new ATOM 0 HG2 PRO A2088 -12.297 -10.808 5.119 1.00 0.97 H new ATOM 0 HG3 PRO A2088 -11.575 -11.779 3.852 1.00 0.97 H new ATOM 0 HD2 PRO A2088 -10.049 -10.145 5.352 1.00 0.78 H new ATOM 0 HD3 PRO A2088 -9.698 -10.365 3.649 1.00 0.78 H new ATOM 526 N ASP A2089 -12.970 -7.353 5.313 1.00 0.67 N ATOM 527 CA ASP A2089 -13.937 -6.548 6.052 1.00 0.73 C ATOM 528 C ASP A2089 -14.038 -5.159 5.428 1.00 0.66 C ATOM 529 O ASP A2089 -15.037 -4.456 5.590 1.00 0.73 O ATOM 530 CB ASP A2089 -13.534 -6.438 7.524 1.00 0.85 C ATOM 531 CG ASP A2089 -14.551 -5.670 8.350 1.00 1.59 C ATOM 532 OD1 ASP A2089 -14.317 -4.473 8.630 1.00 2.29 O ATOM 533 OD2 ASP A2089 -15.587 -6.264 8.722 1.00 2.26 O ATOM 0 H ASP A2089 -12.114 -7.565 5.825 1.00 0.67 H new ATOM 0 HA ASP A2089 -14.911 -7.035 5.999 1.00 0.73 H new ATOM 0 HB2 ASP A2089 -13.414 -7.438 7.940 1.00 0.85 H new ATOM 0 HB3 ASP A2089 -12.565 -5.944 7.596 1.00 0.85 H new ATOM 538 N GLY A2090 -13.001 -4.781 4.691 1.00 0.59 N ATOM 539 CA GLY A2090 -12.985 -3.491 4.038 1.00 0.63 C ATOM 540 C GLY A2090 -11.980 -2.552 4.661 1.00 0.70 C ATOM 541 O GLY A2090 -11.925 -1.371 4.321 1.00 0.83 O ATOM 0 H GLY A2090 -12.168 -5.349 4.535 1.00 0.59 H new ATOM 0 HA2 GLY A2090 -12.751 -3.623 2.982 1.00 0.63 H new ATOM 0 HA3 GLY A2090 -13.978 -3.046 4.091 1.00 0.63 H new ATOM 545 N THR A2091 -11.176 -3.080 5.568 1.00 0.70 N ATOM 546 CA THR A2091 -10.181 -2.273 6.250 1.00 0.79 C ATOM 547 C THR A2091 -8.784 -2.608 5.746 1.00 0.60 C ATOM 548 O THR A2091 -8.365 -3.770 5.739 1.00 0.59 O ATOM 549 CB THR A2091 -10.260 -2.434 7.789 1.00 1.05 C ATOM 550 OG1 THR A2091 -9.105 -1.859 8.412 1.00 1.51 O ATOM 551 CG2 THR A2091 -10.393 -3.893 8.192 1.00 0.86 C ATOM 0 H THR A2091 -11.193 -4.061 5.848 1.00 0.70 H new ATOM 0 HA THR A2091 -10.396 -1.229 6.022 1.00 0.79 H new ATOM 0 HB THR A2091 -11.152 -1.907 8.129 1.00 1.05 H new ATOM 0 HG1 THR A2091 -9.170 -1.967 9.384 1.00 1.51 H new ATOM 0 HG21 THR A2091 -10.446 -3.967 9.278 1.00 0.86 H new ATOM 0 HG22 THR A2091 -11.301 -4.310 7.755 1.00 0.86 H new ATOM 0 HG23 THR A2091 -9.528 -4.450 7.832 1.00 0.86 H new ATOM 559 N VAL A2092 -8.086 -1.581 5.285 1.00 0.60 N ATOM 560 CA VAL A2092 -6.747 -1.736 4.743 1.00 0.54 C ATOM 561 C VAL A2092 -5.810 -0.734 5.397 1.00 0.55 C ATOM 562 O VAL A2092 -6.180 0.424 5.604 1.00 0.78 O ATOM 563 CB VAL A2092 -6.722 -1.498 3.217 1.00 0.79 C ATOM 564 CG1 VAL A2092 -5.404 -1.958 2.615 1.00 1.02 C ATOM 565 CG2 VAL A2092 -7.898 -2.177 2.534 1.00 1.18 C ATOM 0 H VAL A2092 -8.431 -0.621 5.276 1.00 0.60 H new ATOM 0 HA VAL A2092 -6.426 -2.757 4.948 1.00 0.54 H new ATOM 0 HB VAL A2092 -6.814 -0.425 3.048 1.00 0.79 H new ATOM 0 HG11 VAL A2092 -5.413 -1.779 1.540 1.00 1.02 H new ATOM 0 HG12 VAL A2092 -4.583 -1.402 3.069 1.00 1.02 H new ATOM 0 HG13 VAL A2092 -5.269 -3.023 2.804 1.00 1.02 H new ATOM 0 HG21 VAL A2092 -7.852 -1.991 1.461 1.00 1.18 H new ATOM 0 HG22 VAL A2092 -7.856 -3.250 2.718 1.00 1.18 H new ATOM 0 HG23 VAL A2092 -8.830 -1.777 2.932 1.00 1.18 H new ATOM 575 N THR A2093 -4.609 -1.170 5.726 1.00 0.47 N ATOM 576 CA THR A2093 -3.613 -0.268 6.266 1.00 0.53 C ATOM 577 C THR A2093 -2.349 -0.290 5.410 1.00 0.44 C ATOM 578 O THR A2093 -1.681 -1.319 5.274 1.00 0.41 O ATOM 579 CB THR A2093 -3.283 -0.585 7.748 1.00 0.71 C ATOM 580 OG1 THR A2093 -2.249 0.283 8.229 1.00 1.46 O ATOM 581 CG2 THR A2093 -2.857 -2.032 7.934 1.00 0.71 C ATOM 0 H THR A2093 -4.302 -2.138 5.629 1.00 0.47 H new ATOM 0 HA THR A2093 -4.034 0.737 6.240 1.00 0.53 H new ATOM 0 HB THR A2093 -4.195 -0.421 8.323 1.00 0.71 H new ATOM 0 HG1 THR A2093 -1.374 -0.123 8.056 1.00 1.46 H new ATOM 0 HG21 THR A2093 -2.635 -2.214 8.986 1.00 0.71 H new ATOM 0 HG22 THR A2093 -3.663 -2.693 7.614 1.00 0.71 H new ATOM 0 HG23 THR A2093 -1.967 -2.229 7.336 1.00 0.71 H new ATOM 589 N PHE A2094 -2.055 0.845 4.793 1.00 0.46 N ATOM 590 CA PHE A2094 -0.825 1.003 4.037 1.00 0.42 C ATOM 591 C PHE A2094 0.280 1.427 4.990 1.00 0.43 C ATOM 592 O PHE A2094 0.382 2.603 5.336 1.00 0.52 O ATOM 593 CB PHE A2094 -0.999 2.052 2.919 1.00 0.51 C ATOM 594 CG PHE A2094 -1.896 1.624 1.780 1.00 0.47 C ATOM 595 CD1 PHE A2094 -2.446 0.350 1.749 1.00 1.21 C ATOM 596 CD2 PHE A2094 -2.179 2.491 0.725 1.00 1.26 C ATOM 597 CE1 PHE A2094 -3.251 -0.048 0.702 1.00 1.23 C ATOM 598 CE2 PHE A2094 -2.986 2.091 -0.319 1.00 1.27 C ATOM 599 CZ PHE A2094 -3.520 0.821 -0.332 1.00 0.55 C ATOM 0 H PHE A2094 -2.654 1.671 4.802 1.00 0.46 H new ATOM 0 HA PHE A2094 -0.566 0.055 3.565 1.00 0.42 H new ATOM 0 HB2 PHE A2094 -1.402 2.965 3.357 1.00 0.51 H new ATOM 0 HB3 PHE A2094 -0.017 2.299 2.516 1.00 0.51 H new ATOM 0 HD1 PHE A2094 -2.241 -0.339 2.555 1.00 1.21 H new ATOM 0 HD2 PHE A2094 -1.761 3.487 0.726 1.00 1.26 H new ATOM 0 HE1 PHE A2094 -3.671 -1.043 0.693 1.00 1.23 H new ATOM 0 HE2 PHE A2094 -3.200 2.774 -1.128 1.00 1.27 H new ATOM 0 HZ PHE A2094 -4.149 0.507 -1.152 1.00 0.55 H new ATOM 609 N THR A2095 1.094 0.471 5.428 1.00 0.37 N ATOM 610 CA THR A2095 2.135 0.760 6.399 1.00 0.39 C ATOM 611 C THR A2095 3.527 0.595 5.787 1.00 0.37 C ATOM 612 O THR A2095 4.118 -0.486 5.837 1.00 0.37 O ATOM 613 CB THR A2095 1.993 -0.168 7.621 1.00 0.47 C ATOM 614 OG1 THR A2095 0.617 -0.224 8.031 1.00 0.58 O ATOM 615 CG2 THR A2095 2.848 0.321 8.780 1.00 0.58 C ATOM 0 H THR A2095 1.051 -0.502 5.126 1.00 0.37 H new ATOM 0 HA THR A2095 2.019 1.797 6.713 1.00 0.39 H new ATOM 0 HB THR A2095 2.334 -1.163 7.335 1.00 0.47 H new ATOM 0 HG1 THR A2095 0.531 -0.816 8.807 1.00 0.58 H new ATOM 0 HG21 THR A2095 2.729 -0.352 9.629 1.00 0.58 H new ATOM 0 HG22 THR A2095 3.895 0.341 8.477 1.00 0.58 H new ATOM 0 HG23 THR A2095 2.534 1.325 9.066 1.00 0.58 H new ATOM 623 N PRO A2096 4.057 1.664 5.177 1.00 0.50 N ATOM 624 CA PRO A2096 5.390 1.674 4.602 1.00 0.61 C ATOM 625 C PRO A2096 6.450 2.180 5.580 1.00 0.69 C ATOM 626 O PRO A2096 6.183 3.056 6.410 1.00 0.81 O ATOM 627 CB PRO A2096 5.230 2.643 3.432 1.00 0.88 C ATOM 628 CG PRO A2096 4.177 3.616 3.869 1.00 0.98 C ATOM 629 CD PRO A2096 3.395 2.965 4.990 1.00 0.69 C ATOM 0 HA PRO A2096 5.732 0.678 4.321 1.00 0.61 H new ATOM 0 HB2 PRO A2096 6.168 3.151 3.211 1.00 0.88 H new ATOM 0 HB3 PRO A2096 4.930 2.119 2.525 1.00 0.88 H new ATOM 0 HG2 PRO A2096 4.632 4.547 4.209 1.00 0.98 H new ATOM 0 HG3 PRO A2096 3.518 3.868 3.038 1.00 0.98 H new ATOM 0 HD2 PRO A2096 3.428 3.564 5.900 1.00 0.69 H new ATOM 0 HD3 PRO A2096 2.344 2.844 4.726 1.00 0.69 H new ATOM 637 N ASP A2097 7.645 1.623 5.499 1.00 0.89 N ATOM 638 CA ASP A2097 8.775 2.159 6.237 1.00 1.14 C ATOM 639 C ASP A2097 9.760 2.782 5.260 1.00 1.37 C ATOM 640 O ASP A2097 10.511 2.081 4.584 1.00 1.39 O ATOM 641 CB ASP A2097 9.467 1.079 7.068 1.00 1.24 C ATOM 642 CG ASP A2097 10.443 1.670 8.066 1.00 2.06 C ATOM 643 OD1 ASP A2097 11.420 2.320 7.644 1.00 2.61 O ATOM 644 OD2 ASP A2097 10.233 1.496 9.283 1.00 2.72 O ATOM 0 H ASP A2097 7.858 0.802 4.932 1.00 0.89 H new ATOM 0 HA ASP A2097 8.408 2.918 6.928 1.00 1.14 H new ATOM 0 HB2 ASP A2097 8.716 0.493 7.598 1.00 1.24 H new ATOM 0 HB3 ASP A2097 9.996 0.395 6.405 1.00 1.24 H new ATOM 649 N LYS A2098 9.741 4.103 5.188 1.00 1.89 N ATOM 650 CA LYS A2098 10.552 4.832 4.221 1.00 2.37 C ATOM 651 C LYS A2098 11.949 5.114 4.767 1.00 2.32 C ATOM 652 O LYS A2098 12.713 5.877 4.182 1.00 2.66 O ATOM 653 CB LYS A2098 9.869 6.145 3.801 1.00 3.03 C ATOM 654 CG LYS A2098 9.658 7.162 4.922 1.00 3.48 C ATOM 655 CD LYS A2098 8.458 6.829 5.799 1.00 4.03 C ATOM 656 CE LYS A2098 8.091 7.991 6.710 1.00 4.43 C ATOM 657 NZ LYS A2098 9.223 8.398 7.583 1.00 4.81 N ATOM 0 H LYS A2098 9.170 4.697 5.790 1.00 1.89 H new ATOM 0 HA LYS A2098 10.652 4.198 3.340 1.00 2.37 H new ATOM 0 HB2 LYS A2098 10.467 6.611 3.018 1.00 3.03 H new ATOM 0 HB3 LYS A2098 8.900 5.907 3.363 1.00 3.03 H new ATOM 0 HG2 LYS A2098 10.554 7.206 5.541 1.00 3.48 H new ATOM 0 HG3 LYS A2098 9.522 8.152 4.488 1.00 3.48 H new ATOM 0 HD2 LYS A2098 7.605 6.576 5.169 1.00 4.03 H new ATOM 0 HD3 LYS A2098 8.681 5.949 6.402 1.00 4.03 H new ATOM 0 HE2 LYS A2098 7.778 8.841 6.104 1.00 4.43 H new ATOM 0 HE3 LYS A2098 7.239 7.710 7.329 1.00 4.43 H new ATOM 0 HZ1 LYS A2098 8.892 9.097 8.278 1.00 4.81 H new ATOM 0 HZ2 LYS A2098 9.594 7.564 8.081 1.00 4.81 H new ATOM 0 HZ3 LYS A2098 9.976 8.818 7.002 1.00 4.81 H new ATOM 671 N GLN A2099 12.283 4.488 5.885 1.00 2.03 N ATOM 672 CA GLN A2099 13.603 4.643 6.472 1.00 2.09 C ATOM 673 C GLN A2099 14.419 3.379 6.248 1.00 1.67 C ATOM 674 O GLN A2099 15.513 3.221 6.792 1.00 1.81 O ATOM 675 CB GLN A2099 13.495 4.976 7.961 1.00 2.41 C ATOM 676 CG GLN A2099 12.846 6.327 8.218 1.00 2.99 C ATOM 677 CD GLN A2099 12.632 6.625 9.689 1.00 3.86 C ATOM 678 OE1 GLN A2099 11.683 7.313 10.057 1.00 4.40 O ATOM 679 NE2 GLN A2099 13.516 6.122 10.536 1.00 4.42 N ATOM 0 H GLN A2099 11.659 3.869 6.403 1.00 2.03 H new ATOM 0 HA GLN A2099 14.114 5.474 5.985 1.00 2.09 H new ATOM 0 HB2 GLN A2099 12.916 4.199 8.461 1.00 2.41 H new ATOM 0 HB3 GLN A2099 14.491 4.967 8.404 1.00 2.41 H new ATOM 0 HG2 GLN A2099 13.469 7.109 7.784 1.00 2.99 H new ATOM 0 HG3 GLN A2099 11.885 6.363 7.705 1.00 2.99 H new ATOM 0 HE21 GLN A2099 14.290 5.555 10.189 1.00 4.42 H new ATOM 0 HE22 GLN A2099 13.423 6.301 11.536 1.00 4.42 H new ATOM 688 N PHE A2100 13.874 2.483 5.433 1.00 1.40 N ATOM 689 CA PHE A2100 14.581 1.279 5.034 1.00 1.20 C ATOM 690 C PHE A2100 15.572 1.610 3.925 1.00 1.31 C ATOM 691 O PHE A2100 15.297 1.409 2.741 1.00 1.72 O ATOM 692 CB PHE A2100 13.594 0.203 4.564 1.00 1.32 C ATOM 693 CG PHE A2100 14.254 -1.072 4.116 1.00 1.46 C ATOM 694 CD1 PHE A2100 14.181 -1.480 2.792 1.00 1.93 C ATOM 695 CD2 PHE A2100 14.956 -1.856 5.015 1.00 2.04 C ATOM 696 CE1 PHE A2100 14.795 -2.646 2.377 1.00 2.23 C ATOM 697 CE2 PHE A2100 15.569 -3.023 4.607 1.00 2.36 C ATOM 698 CZ PHE A2100 15.490 -3.418 3.286 1.00 2.18 C ATOM 0 H PHE A2100 12.939 2.572 5.035 1.00 1.40 H new ATOM 0 HA PHE A2100 15.125 0.888 5.894 1.00 1.20 H new ATOM 0 HB2 PHE A2100 12.903 -0.023 5.376 1.00 1.32 H new ATOM 0 HB3 PHE A2100 13.000 0.602 3.742 1.00 1.32 H new ATOM 0 HD1 PHE A2100 13.638 -0.879 2.077 1.00 1.93 H new ATOM 0 HD2 PHE A2100 15.025 -1.551 6.049 1.00 2.04 H new ATOM 0 HE1 PHE A2100 14.731 -2.953 1.343 1.00 2.23 H new ATOM 0 HE2 PHE A2100 16.110 -3.627 5.320 1.00 2.36 H new ATOM 0 HZ PHE A2100 15.971 -4.330 2.965 1.00 2.18 H new ATOM 708 N VAL A2101 16.718 2.140 4.310 1.00 1.55 N ATOM 709 CA VAL A2101 17.734 2.505 3.343 1.00 1.92 C ATOM 710 C VAL A2101 18.591 1.292 3.014 1.00 2.31 C ATOM 711 O VAL A2101 19.512 0.942 3.756 1.00 2.68 O ATOM 712 CB VAL A2101 18.627 3.648 3.861 1.00 2.35 C ATOM 713 CG1 VAL A2101 19.518 4.175 2.749 1.00 2.67 C ATOM 714 CG2 VAL A2101 17.779 4.764 4.448 1.00 2.45 C ATOM 0 H VAL A2101 16.967 2.326 5.281 1.00 1.55 H new ATOM 0 HA VAL A2101 17.229 2.856 2.443 1.00 1.92 H new ATOM 0 HB VAL A2101 19.266 3.255 4.652 1.00 2.35 H new ATOM 0 HG11 VAL A2101 20.142 4.982 3.134 1.00 2.67 H new ATOM 0 HG12 VAL A2101 20.153 3.370 2.380 1.00 2.67 H new ATOM 0 HG13 VAL A2101 18.899 4.552 1.935 1.00 2.67 H new ATOM 0 HG21 VAL A2101 18.427 5.562 4.809 1.00 2.45 H new ATOM 0 HG22 VAL A2101 17.112 5.157 3.680 1.00 2.45 H new ATOM 0 HG23 VAL A2101 17.188 4.374 5.277 1.00 2.45 H new ATOM 724 N GLY A2102 18.271 0.650 1.905 1.00 2.55 N ATOM 725 CA GLY A2102 18.980 -0.542 1.496 1.00 3.15 C ATOM 726 C GLY A2102 18.291 -1.224 0.338 1.00 3.22 C ATOM 727 O GLY A2102 18.055 -2.433 0.370 1.00 3.84 O ATOM 0 H GLY A2102 17.524 0.937 1.273 1.00 2.55 H new ATOM 0 HA2 GLY A2102 20.000 -0.281 1.212 1.00 3.15 H new ATOM 0 HA3 GLY A2102 19.050 -1.232 2.337 1.00 3.15 H new ATOM 731 N LYS A2103 17.965 -0.431 -0.680 1.00 2.91 N ATOM 732 CA LYS A2103 17.260 -0.912 -1.867 1.00 3.06 C ATOM 733 C LYS A2103 15.902 -1.520 -1.503 1.00 2.39 C ATOM 734 O LYS A2103 15.738 -2.740 -1.523 1.00 2.33 O ATOM 735 CB LYS A2103 18.100 -1.940 -2.646 1.00 3.80 C ATOM 736 CG LYS A2103 19.226 -1.341 -3.481 1.00 4.59 C ATOM 737 CD LYS A2103 20.375 -0.821 -2.629 1.00 5.33 C ATOM 738 CE LYS A2103 21.490 -0.242 -3.489 1.00 6.21 C ATOM 739 NZ LYS A2103 22.059 -1.251 -4.426 1.00 6.78 N ATOM 0 H LYS A2103 18.182 0.565 -0.706 1.00 2.91 H new ATOM 0 HA LYS A2103 17.093 -0.046 -2.507 1.00 3.06 H new ATOM 0 HB2 LYS A2103 18.529 -2.650 -1.938 1.00 3.80 H new ATOM 0 HB3 LYS A2103 17.439 -2.505 -3.304 1.00 3.80 H new ATOM 0 HG2 LYS A2103 19.603 -2.096 -4.171 1.00 4.59 H new ATOM 0 HG3 LYS A2103 18.830 -0.526 -4.087 1.00 4.59 H new ATOM 0 HD2 LYS A2103 20.006 -0.056 -1.946 1.00 5.33 H new ATOM 0 HD3 LYS A2103 20.770 -1.631 -2.016 1.00 5.33 H new ATOM 0 HE2 LYS A2103 21.105 0.604 -4.058 1.00 6.21 H new ATOM 0 HE3 LYS A2103 22.282 0.141 -2.845 1.00 6.21 H new ATOM 0 HZ1 LYS A2103 22.955 -0.896 -4.816 1.00 6.78 H new ATOM 0 HZ2 LYS A2103 22.232 -2.140 -3.915 1.00 6.78 H new ATOM 0 HZ3 LYS A2103 21.387 -1.422 -5.201 1.00 6.78 H new ATOM 753 N PRO A2104 14.912 -0.678 -1.156 1.00 2.06 N ATOM 754 CA PRO A2104 13.549 -1.139 -0.877 1.00 1.50 C ATOM 755 C PRO A2104 12.946 -1.834 -2.090 1.00 1.35 C ATOM 756 O PRO A2104 13.026 -1.325 -3.210 1.00 1.62 O ATOM 757 CB PRO A2104 12.780 0.151 -0.563 1.00 1.62 C ATOM 758 CG PRO A2104 13.828 1.140 -0.188 1.00 2.21 C ATOM 759 CD PRO A2104 15.033 0.782 -1.009 1.00 2.43 C ATOM 0 HA PRO A2104 13.515 -1.865 -0.064 1.00 1.50 H new ATOM 0 HB2 PRO A2104 12.208 0.490 -1.427 1.00 1.62 H new ATOM 0 HB3 PRO A2104 12.070 -0.000 0.250 1.00 1.62 H new ATOM 0 HG2 PRO A2104 13.499 2.158 -0.397 1.00 2.21 H new ATOM 0 HG3 PRO A2104 14.051 1.090 0.878 1.00 2.21 H new ATOM 0 HD2 PRO A2104 15.028 1.287 -1.975 1.00 2.43 H new ATOM 0 HD3 PRO A2104 15.960 1.062 -0.508 1.00 2.43 H new ATOM 767 N ASP A2105 12.365 -3.003 -1.863 1.00 1.04 N ATOM 768 CA ASP A2105 11.785 -3.793 -2.944 1.00 0.98 C ATOM 769 C ASP A2105 10.540 -3.103 -3.498 1.00 0.79 C ATOM 770 O ASP A2105 9.680 -2.649 -2.736 1.00 0.78 O ATOM 771 CB ASP A2105 11.452 -5.209 -2.455 1.00 1.06 C ATOM 772 CG ASP A2105 10.918 -6.103 -3.558 1.00 1.66 C ATOM 773 OD1 ASP A2105 9.717 -6.438 -3.537 1.00 2.16 O ATOM 774 OD2 ASP A2105 11.701 -6.484 -4.454 1.00 2.33 O ATOM 0 H ASP A2105 12.282 -3.428 -0.939 1.00 1.04 H new ATOM 0 HA ASP A2105 12.517 -3.874 -3.748 1.00 0.98 H new ATOM 0 HB2 ASP A2105 12.348 -5.661 -2.029 1.00 1.06 H new ATOM 0 HB3 ASP A2105 10.715 -5.148 -1.655 1.00 1.06 H new ATOM 779 N PRO A2106 10.463 -2.977 -4.833 1.00 0.77 N ATOM 780 CA PRO A2106 9.356 -2.294 -5.510 1.00 0.73 C ATOM 781 C PRO A2106 8.046 -3.083 -5.491 1.00 0.61 C ATOM 782 O PRO A2106 8.016 -4.282 -5.790 1.00 0.74 O ATOM 783 CB PRO A2106 9.862 -2.138 -6.945 1.00 0.87 C ATOM 784 CG PRO A2106 10.843 -3.240 -7.132 1.00 1.03 C ATOM 785 CD PRO A2106 11.476 -3.466 -5.788 1.00 0.93 C ATOM 0 HA PRO A2106 9.111 -1.355 -5.014 1.00 0.73 H new ATOM 0 HB2 PRO A2106 9.044 -2.213 -7.662 1.00 0.87 H new ATOM 0 HB3 PRO A2106 10.329 -1.165 -7.095 1.00 0.87 H new ATOM 0 HG2 PRO A2106 10.350 -4.145 -7.488 1.00 1.03 H new ATOM 0 HG3 PRO A2106 11.593 -2.972 -7.876 1.00 1.03 H new ATOM 0 HD2 PRO A2106 11.703 -4.520 -5.625 1.00 0.93 H new ATOM 0 HD3 PRO A2106 12.414 -2.919 -5.691 1.00 0.93 H new ATOM 793 N VAL A2107 6.971 -2.393 -5.125 1.00 0.48 N ATOM 794 CA VAL A2107 5.629 -2.954 -5.155 1.00 0.37 C ATOM 795 C VAL A2107 4.598 -1.823 -5.136 1.00 0.35 C ATOM 796 O VAL A2107 4.821 -0.785 -4.509 1.00 0.60 O ATOM 797 CB VAL A2107 5.384 -3.922 -3.969 1.00 0.41 C ATOM 798 CG1 VAL A2107 5.450 -3.195 -2.634 1.00 0.54 C ATOM 799 CG2 VAL A2107 4.053 -4.647 -4.123 1.00 0.46 C ATOM 0 H VAL A2107 7.008 -1.427 -4.799 1.00 0.48 H new ATOM 0 HA VAL A2107 5.524 -3.530 -6.074 1.00 0.37 H new ATOM 0 HB VAL A2107 6.181 -4.665 -3.982 1.00 0.41 H new ATOM 0 HG11 VAL A2107 5.274 -3.904 -1.825 1.00 0.54 H new ATOM 0 HG12 VAL A2107 6.435 -2.744 -2.514 1.00 0.54 H new ATOM 0 HG13 VAL A2107 4.688 -2.416 -2.606 1.00 0.54 H new ATOM 0 HG21 VAL A2107 3.905 -5.320 -3.278 1.00 0.46 H new ATOM 0 HG22 VAL A2107 3.243 -3.918 -4.152 1.00 0.46 H new ATOM 0 HG23 VAL A2107 4.057 -5.222 -5.049 1.00 0.46 H new ATOM 809 N THR A2108 3.496 -2.003 -5.846 1.00 0.32 N ATOM 810 CA THR A2108 2.434 -1.013 -5.842 1.00 0.30 C ATOM 811 C THR A2108 1.210 -1.537 -5.099 1.00 0.30 C ATOM 812 O THR A2108 0.691 -2.616 -5.395 1.00 0.33 O ATOM 813 CB THR A2108 2.037 -0.598 -7.271 1.00 0.33 C ATOM 814 OG1 THR A2108 3.197 -0.154 -7.987 1.00 0.37 O ATOM 815 CG2 THR A2108 0.997 0.517 -7.244 1.00 0.35 C ATOM 0 H THR A2108 3.315 -2.820 -6.429 1.00 0.32 H new ATOM 0 HA THR A2108 2.817 -0.133 -5.326 1.00 0.30 H new ATOM 0 HB THR A2108 1.605 -1.464 -7.772 1.00 0.33 H new ATOM 0 HG1 THR A2108 2.940 0.107 -8.896 1.00 0.37 H new ATOM 0 HG21 THR A2108 0.733 0.793 -8.265 1.00 0.35 H new ATOM 0 HG22 THR A2108 0.106 0.171 -6.719 1.00 0.35 H new ATOM 0 HG23 THR A2108 1.408 1.385 -6.728 1.00 0.35 H new ATOM 823 N VAL A2109 0.770 -0.771 -4.121 1.00 0.38 N ATOM 824 CA VAL A2109 -0.379 -1.128 -3.308 1.00 0.46 C ATOM 825 C VAL A2109 -1.587 -0.315 -3.772 1.00 0.52 C ATOM 826 O VAL A2109 -1.439 0.864 -4.068 1.00 0.61 O ATOM 827 CB VAL A2109 -0.091 -0.837 -1.821 1.00 0.60 C ATOM 828 CG1 VAL A2109 -0.965 -1.695 -0.930 1.00 0.76 C ATOM 829 CG2 VAL A2109 1.387 -1.047 -1.502 1.00 0.61 C ATOM 0 H VAL A2109 1.199 0.119 -3.866 1.00 0.38 H new ATOM 0 HA VAL A2109 -0.586 -2.192 -3.419 1.00 0.46 H new ATOM 0 HB VAL A2109 -0.330 0.208 -1.626 1.00 0.60 H new ATOM 0 HG11 VAL A2109 -0.747 -1.475 0.115 1.00 0.76 H new ATOM 0 HG12 VAL A2109 -2.014 -1.481 -1.134 1.00 0.76 H new ATOM 0 HG13 VAL A2109 -0.764 -2.748 -1.128 1.00 0.76 H new ATOM 0 HG21 VAL A2109 1.565 -0.836 -0.448 1.00 0.61 H new ATOM 0 HG22 VAL A2109 1.662 -2.080 -1.717 1.00 0.61 H new ATOM 0 HG23 VAL A2109 1.990 -0.376 -2.114 1.00 0.61 H new ATOM 839 N LYS A2110 -2.770 -0.928 -3.850 1.00 0.53 N ATOM 840 CA LYS A2110 -3.926 -0.248 -4.435 1.00 0.63 C ATOM 841 C LYS A2110 -5.221 -0.525 -3.656 1.00 0.70 C ATOM 842 O LYS A2110 -5.350 -1.543 -2.978 1.00 0.99 O ATOM 843 CB LYS A2110 -4.091 -0.693 -5.897 1.00 0.67 C ATOM 844 CG LYS A2110 -5.282 -0.069 -6.612 1.00 0.85 C ATOM 845 CD LYS A2110 -5.793 -0.953 -7.742 1.00 1.03 C ATOM 846 CE LYS A2110 -6.443 -2.225 -7.205 1.00 1.11 C ATOM 847 NZ LYS A2110 -6.915 -3.125 -8.292 1.00 1.63 N ATOM 0 H LYS A2110 -2.951 -1.877 -3.522 1.00 0.53 H new ATOM 0 HA LYS A2110 -3.742 0.825 -4.384 1.00 0.63 H new ATOM 0 HB2 LYS A2110 -3.182 -0.444 -6.445 1.00 0.67 H new ATOM 0 HB3 LYS A2110 -4.193 -1.778 -5.925 1.00 0.67 H new ATOM 0 HG2 LYS A2110 -6.085 0.105 -5.896 1.00 0.85 H new ATOM 0 HG3 LYS A2110 -4.996 0.903 -7.013 1.00 0.85 H new ATOM 0 HD2 LYS A2110 -6.515 -0.399 -8.341 1.00 1.03 H new ATOM 0 HD3 LYS A2110 -4.966 -1.216 -8.402 1.00 1.03 H new ATOM 0 HE2 LYS A2110 -5.727 -2.759 -6.580 1.00 1.11 H new ATOM 0 HE3 LYS A2110 -7.286 -1.958 -6.567 1.00 1.11 H new ATOM 0 HZ1 LYS A2110 -7.741 -3.664 -7.962 1.00 1.63 H new ATOM 0 HZ2 LYS A2110 -7.181 -2.557 -9.122 1.00 1.63 H new ATOM 0 HZ3 LYS A2110 -6.153 -3.784 -8.553 1.00 1.63 H new ATOM 861 N ARG A2111 -6.155 0.421 -3.744 1.00 0.52 N ATOM 862 CA ARG A2111 -7.529 0.254 -3.269 1.00 0.54 C ATOM 863 C ARG A2111 -8.323 1.498 -3.644 1.00 0.44 C ATOM 864 O ARG A2111 -7.787 2.601 -3.605 1.00 0.47 O ATOM 865 CB ARG A2111 -7.585 0.039 -1.752 1.00 0.62 C ATOM 866 CG ARG A2111 -6.968 1.171 -0.964 1.00 0.62 C ATOM 867 CD ARG A2111 -7.076 0.955 0.532 1.00 0.87 C ATOM 868 NE ARG A2111 -6.265 1.925 1.261 1.00 1.86 N ATOM 869 CZ ARG A2111 -6.366 2.162 2.564 1.00 2.47 C ATOM 870 NH1 ARG A2111 -7.318 1.583 3.285 1.00 2.41 N ATOM 871 NH2 ARG A2111 -5.530 3.015 3.138 1.00 3.47 N ATOM 0 H ARG A2111 -5.977 1.338 -4.153 1.00 0.52 H new ATOM 0 HA ARG A2111 -7.956 -0.632 -3.738 1.00 0.54 H new ATOM 0 HB2 ARG A2111 -8.625 -0.082 -1.447 1.00 0.62 H new ATOM 0 HB3 ARG A2111 -7.070 -0.889 -1.504 1.00 0.62 H new ATOM 0 HG2 ARG A2111 -5.918 1.273 -1.239 1.00 0.62 H new ATOM 0 HG3 ARG A2111 -7.460 2.107 -1.230 1.00 0.62 H new ATOM 0 HD2 ARG A2111 -8.118 1.041 0.841 1.00 0.87 H new ATOM 0 HD3 ARG A2111 -6.752 -0.055 0.781 1.00 0.87 H new ATOM 0 HE ARG A2111 -5.573 2.457 0.734 1.00 1.86 H new ATOM 0 HH11 ARG A2111 -7.981 0.949 2.839 1.00 2.41 H new ATOM 0 HH12 ARG A2111 -7.387 1.772 4.285 1.00 2.41 H new ATOM 0 HH21 ARG A2111 -4.816 3.483 2.580 1.00 3.47 H new ATOM 0 HH22 ARG A2111 -5.600 3.203 4.138 1.00 3.47 H new ATOM 885 N VAL A2112 -9.582 1.339 -4.018 1.00 0.35 N ATOM 886 CA VAL A2112 -10.381 2.489 -4.429 1.00 0.28 C ATOM 887 C VAL A2112 -11.280 2.973 -3.295 1.00 0.25 C ATOM 888 O VAL A2112 -11.677 2.198 -2.425 1.00 0.29 O ATOM 889 CB VAL A2112 -11.236 2.187 -5.682 1.00 0.31 C ATOM 890 CG1 VAL A2112 -10.349 1.815 -6.860 1.00 0.40 C ATOM 891 CG2 VAL A2112 -12.250 1.087 -5.410 1.00 0.32 C ATOM 0 H VAL A2112 -10.069 0.443 -4.047 1.00 0.35 H new ATOM 0 HA VAL A2112 -9.675 3.280 -4.684 1.00 0.28 H new ATOM 0 HB VAL A2112 -11.786 3.094 -5.934 1.00 0.31 H new ATOM 0 HG11 VAL A2112 -10.970 1.606 -7.731 1.00 0.40 H new ATOM 0 HG12 VAL A2112 -9.676 2.642 -7.084 1.00 0.40 H new ATOM 0 HG13 VAL A2112 -9.765 0.929 -6.610 1.00 0.40 H new ATOM 0 HG21 VAL A2112 -12.834 0.900 -6.311 1.00 0.32 H new ATOM 0 HG22 VAL A2112 -11.728 0.175 -5.120 1.00 0.32 H new ATOM 0 HG23 VAL A2112 -12.915 1.397 -4.604 1.00 0.32 H new ATOM 901 N ASP A2113 -11.560 4.268 -3.296 1.00 0.26 N ATOM 902 CA ASP A2113 -12.414 4.878 -2.283 1.00 0.31 C ATOM 903 C ASP A2113 -13.876 4.891 -2.727 1.00 0.33 C ATOM 904 O ASP A2113 -14.234 4.253 -3.719 1.00 0.34 O ATOM 905 CB ASP A2113 -11.945 6.305 -1.961 1.00 0.40 C ATOM 906 CG ASP A2113 -11.886 7.214 -3.180 1.00 0.55 C ATOM 907 OD1 ASP A2113 -10.892 7.947 -3.330 1.00 0.85 O ATOM 908 OD2 ASP A2113 -12.827 7.194 -3.995 1.00 1.46 O ATOM 0 H ASP A2113 -11.205 4.923 -3.993 1.00 0.26 H new ATOM 0 HA ASP A2113 -12.337 4.273 -1.380 1.00 0.31 H new ATOM 0 HB2 ASP A2113 -12.618 6.742 -1.224 1.00 0.40 H new ATOM 0 HB3 ASP A2113 -10.957 6.260 -1.503 1.00 0.40 H new ATOM 913 N LYS A2114 -14.713 5.617 -1.986 1.00 0.40 N ATOM 914 CA LYS A2114 -16.141 5.709 -2.290 1.00 0.46 C ATOM 915 C LYS A2114 -16.384 6.269 -3.691 1.00 0.52 C ATOM 916 O LYS A2114 -17.286 5.824 -4.400 1.00 0.65 O ATOM 917 CB LYS A2114 -16.846 6.600 -1.266 1.00 0.55 C ATOM 918 CG LYS A2114 -16.767 6.086 0.160 1.00 0.58 C ATOM 919 CD LYS A2114 -17.461 7.033 1.123 1.00 0.69 C ATOM 920 CE LYS A2114 -17.410 6.515 2.551 1.00 0.83 C ATOM 921 NZ LYS A2114 -18.100 7.433 3.495 1.00 1.72 N ATOM 0 H LYS A2114 -14.425 6.152 -1.167 1.00 0.40 H new ATOM 0 HA LYS A2114 -16.547 4.699 -2.245 1.00 0.46 H new ATOM 0 HB2 LYS A2114 -16.409 7.598 -1.306 1.00 0.55 H new ATOM 0 HB3 LYS A2114 -17.894 6.700 -1.548 1.00 0.55 H new ATOM 0 HG2 LYS A2114 -17.227 5.100 0.220 1.00 0.58 H new ATOM 0 HG3 LYS A2114 -15.723 5.969 0.450 1.00 0.58 H new ATOM 0 HD2 LYS A2114 -16.988 8.014 1.074 1.00 0.69 H new ATOM 0 HD3 LYS A2114 -18.500 7.164 0.820 1.00 0.69 H new ATOM 0 HE2 LYS A2114 -17.874 5.530 2.597 1.00 0.83 H new ATOM 0 HE3 LYS A2114 -16.371 6.393 2.857 1.00 0.83 H new ATOM 0 HZ1 LYS A2114 -18.044 7.046 4.459 1.00 1.72 H new ATOM 0 HZ2 LYS A2114 -17.641 8.366 3.469 1.00 1.72 H new ATOM 0 HZ3 LYS A2114 -19.098 7.530 3.218 1.00 1.72 H new ATOM 935 N ASN A2115 -15.569 7.236 -4.088 1.00 0.52 N ATOM 936 CA ASN A2115 -15.729 7.886 -5.381 1.00 0.60 C ATOM 937 C ASN A2115 -15.160 7.000 -6.476 1.00 0.54 C ATOM 938 O ASN A2115 -15.622 7.019 -7.619 1.00 0.70 O ATOM 939 CB ASN A2115 -15.021 9.244 -5.401 1.00 0.72 C ATOM 940 CG ASN A2115 -15.533 10.199 -4.339 1.00 0.99 C ATOM 941 OD1 ASN A2115 -16.699 10.149 -3.942 1.00 1.84 O ATOM 942 ND2 ASN A2115 -14.661 11.074 -3.866 1.00 1.11 N ATOM 0 H ASN A2115 -14.789 7.588 -3.533 1.00 0.52 H new ATOM 0 HA ASN A2115 -16.793 8.047 -5.554 1.00 0.60 H new ATOM 0 HB2 ASN A2115 -13.951 9.091 -5.258 1.00 0.72 H new ATOM 0 HB3 ASN A2115 -15.150 9.699 -6.383 1.00 0.72 H new ATOM 0 HD21 ASN A2115 -14.945 11.739 -3.147 1.00 1.11 H new ATOM 0 HD22 ASN A2115 -13.705 11.084 -4.221 1.00 1.11 H new ATOM 949 N GLY A2116 -14.151 6.228 -6.110 1.00 0.38 N ATOM 950 CA GLY A2116 -13.537 5.309 -7.036 1.00 0.39 C ATOM 951 C GLY A2116 -12.095 5.665 -7.317 1.00 0.38 C ATOM 952 O GLY A2116 -11.521 5.207 -8.303 1.00 0.44 O ATOM 0 H GLY A2116 -13.743 6.224 -5.175 1.00 0.38 H new ATOM 0 HA2 GLY A2116 -13.588 4.298 -6.631 1.00 0.39 H new ATOM 0 HA3 GLY A2116 -14.098 5.307 -7.970 1.00 0.39 H new ATOM 956 N THR A2117 -11.501 6.480 -6.454 1.00 0.36 N ATOM 957 CA THR A2117 -10.114 6.863 -6.622 1.00 0.38 C ATOM 958 C THR A2117 -9.202 5.850 -5.937 1.00 0.33 C ATOM 959 O THR A2117 -9.311 5.624 -4.732 1.00 0.33 O ATOM 960 CB THR A2117 -9.850 8.270 -6.054 1.00 0.44 C ATOM 961 OG1 THR A2117 -10.689 9.226 -6.720 1.00 0.57 O ATOM 962 CG2 THR A2117 -8.388 8.666 -6.218 1.00 0.54 C ATOM 0 H THR A2117 -11.959 6.884 -5.637 1.00 0.36 H new ATOM 0 HA THR A2117 -9.899 6.880 -7.690 1.00 0.38 H new ATOM 0 HB THR A2117 -10.081 8.256 -4.989 1.00 0.44 H new ATOM 0 HG1 THR A2117 -10.520 10.120 -6.355 1.00 0.57 H new ATOM 0 HG21 THR A2117 -8.233 9.664 -5.808 1.00 0.54 H new ATOM 0 HG22 THR A2117 -7.756 7.953 -5.688 1.00 0.54 H new ATOM 0 HG23 THR A2117 -8.127 8.664 -7.276 1.00 0.54 H new ATOM 970 N PRO A2118 -8.321 5.191 -6.701 1.00 0.38 N ATOM 971 CA PRO A2118 -7.365 4.242 -6.147 1.00 0.40 C ATOM 972 C PRO A2118 -6.260 4.933 -5.359 1.00 0.35 C ATOM 973 O PRO A2118 -5.351 5.531 -5.938 1.00 0.39 O ATOM 974 CB PRO A2118 -6.772 3.538 -7.379 1.00 0.53 C ATOM 975 CG PRO A2118 -7.606 3.970 -8.538 1.00 0.61 C ATOM 976 CD PRO A2118 -8.197 5.297 -8.160 1.00 0.51 C ATOM 0 HA PRO A2118 -7.845 3.559 -5.446 1.00 0.40 H new ATOM 0 HB2 PRO A2118 -5.728 3.817 -7.523 1.00 0.53 H new ATOM 0 HB3 PRO A2118 -6.799 2.455 -7.261 1.00 0.53 H new ATOM 0 HG2 PRO A2118 -7.002 4.056 -9.441 1.00 0.61 H new ATOM 0 HG3 PRO A2118 -8.389 3.241 -8.747 1.00 0.61 H new ATOM 0 HD2 PRO A2118 -7.552 6.126 -8.452 1.00 0.51 H new ATOM 0 HD3 PRO A2118 -9.163 5.461 -8.638 1.00 0.51 H new ATOM 984 N VAL A2119 -6.348 4.863 -4.039 1.00 0.33 N ATOM 985 CA VAL A2119 -5.253 5.300 -3.189 1.00 0.33 C ATOM 986 C VAL A2119 -4.161 4.250 -3.244 1.00 0.36 C ATOM 987 O VAL A2119 -4.350 3.102 -2.835 1.00 0.39 O ATOM 988 CB VAL A2119 -5.691 5.565 -1.726 1.00 0.39 C ATOM 989 CG1 VAL A2119 -6.557 6.808 -1.641 1.00 0.52 C ATOM 990 CG2 VAL A2119 -6.433 4.382 -1.141 1.00 0.60 C ATOM 0 H VAL A2119 -7.162 4.510 -3.536 1.00 0.33 H new ATOM 0 HA VAL A2119 -4.886 6.255 -3.564 1.00 0.33 H new ATOM 0 HB VAL A2119 -4.784 5.720 -1.142 1.00 0.39 H new ATOM 0 HG11 VAL A2119 -6.853 6.975 -0.605 1.00 0.52 H new ATOM 0 HG12 VAL A2119 -5.994 7.669 -2.001 1.00 0.52 H new ATOM 0 HG13 VAL A2119 -7.447 6.674 -2.256 1.00 0.52 H new ATOM 0 HG21 VAL A2119 -6.723 4.606 -0.115 1.00 0.60 H new ATOM 0 HG22 VAL A2119 -7.325 4.182 -1.735 1.00 0.60 H new ATOM 0 HG23 VAL A2119 -5.786 3.505 -1.152 1.00 0.60 H new ATOM 1000 N THR A2120 -3.041 4.628 -3.823 1.00 0.39 N ATOM 1001 CA THR A2120 -1.979 3.688 -4.082 1.00 0.44 C ATOM 1002 C THR A2120 -0.696 4.100 -3.391 1.00 0.53 C ATOM 1003 O THR A2120 -0.529 5.252 -2.988 1.00 0.67 O ATOM 1004 CB THR A2120 -1.704 3.556 -5.599 1.00 0.52 C ATOM 1005 OG1 THR A2120 -1.398 4.842 -6.161 1.00 0.61 O ATOM 1006 CG2 THR A2120 -2.901 2.959 -6.324 1.00 0.55 C ATOM 0 H THR A2120 -2.845 5.583 -4.123 1.00 0.39 H new ATOM 0 HA THR A2120 -2.309 2.727 -3.687 1.00 0.44 H new ATOM 0 HB THR A2120 -0.852 2.889 -5.727 1.00 0.52 H new ATOM 0 HG1 THR A2120 -1.224 4.747 -7.121 1.00 0.61 H new ATOM 0 HG21 THR A2120 -2.679 2.878 -7.388 1.00 0.55 H new ATOM 0 HG22 THR A2120 -3.113 1.969 -5.921 1.00 0.55 H new ATOM 0 HG23 THR A2120 -3.770 3.602 -6.183 1.00 0.55 H new ATOM 1014 N ALA A2121 0.194 3.144 -3.244 1.00 0.53 N ATOM 1015 CA ALA A2121 1.551 3.418 -2.836 1.00 0.65 C ATOM 1016 C ALA A2121 2.472 2.746 -3.830 1.00 0.73 C ATOM 1017 O ALA A2121 2.333 1.552 -4.097 1.00 0.69 O ATOM 1018 CB ALA A2121 1.807 2.912 -1.423 1.00 0.70 C ATOM 0 H ALA A2121 -0.004 2.156 -3.404 1.00 0.53 H new ATOM 0 HA ALA A2121 1.732 4.493 -2.823 1.00 0.65 H new ATOM 0 HB1 ALA A2121 2.836 3.131 -1.139 1.00 0.70 H new ATOM 0 HB2 ALA A2121 1.127 3.407 -0.730 1.00 0.70 H new ATOM 0 HB3 ALA A2121 1.641 1.835 -1.387 1.00 0.70 H new ATOM 1024 N THR A2122 3.395 3.503 -4.386 1.00 0.98 N ATOM 1025 CA THR A2122 4.222 2.994 -5.458 1.00 1.15 C ATOM 1026 C THR A2122 5.676 2.934 -5.031 1.00 0.99 C ATOM 1027 O THR A2122 6.377 3.947 -5.003 1.00 1.22 O ATOM 1028 CB THR A2122 4.086 3.862 -6.726 1.00 1.63 C ATOM 1029 OG1 THR A2122 2.698 4.039 -7.047 1.00 2.19 O ATOM 1030 CG2 THR A2122 4.801 3.216 -7.906 1.00 2.08 C ATOM 0 H THR A2122 3.590 4.467 -4.115 1.00 0.98 H new ATOM 0 HA THR A2122 3.878 1.986 -5.689 1.00 1.15 H new ATOM 0 HB THR A2122 4.545 4.831 -6.528 1.00 1.63 H new ATOM 0 HG1 THR A2122 2.616 4.592 -7.852 1.00 2.19 H new ATOM 0 HG21 THR A2122 4.691 3.847 -8.788 1.00 2.08 H new ATOM 0 HG22 THR A2122 5.859 3.102 -7.672 1.00 2.08 H new ATOM 0 HG23 THR A2122 4.365 2.237 -8.104 1.00 2.08 H new ATOM 1038 N TYR A2123 6.121 1.746 -4.674 1.00 0.85 N ATOM 1039 CA TYR A2123 7.506 1.543 -4.318 1.00 0.77 C ATOM 1040 C TYR A2123 8.317 1.180 -5.546 1.00 0.94 C ATOM 1041 O TYR A2123 7.922 0.321 -6.335 1.00 1.20 O ATOM 1042 CB TYR A2123 7.631 0.465 -3.246 1.00 0.83 C ATOM 1043 CG TYR A2123 7.842 1.036 -1.868 1.00 1.21 C ATOM 1044 CD1 TYR A2123 9.095 1.481 -1.473 1.00 1.93 C ATOM 1045 CD2 TYR A2123 6.793 1.136 -0.968 1.00 1.82 C ATOM 1046 CE1 TYR A2123 9.297 2.008 -0.216 1.00 2.36 C ATOM 1047 CE2 TYR A2123 6.987 1.663 0.292 1.00 2.26 C ATOM 1048 CZ TYR A2123 8.240 2.098 0.664 1.00 2.25 C ATOM 1049 OH TYR A2123 8.437 2.622 1.923 1.00 2.81 O ATOM 0 H TYR A2123 5.542 0.908 -4.624 1.00 0.85 H new ATOM 0 HA TYR A2123 7.901 2.473 -3.909 1.00 0.77 H new ATOM 0 HB2 TYR A2123 6.730 -0.148 -3.247 1.00 0.83 H new ATOM 0 HB3 TYR A2123 8.464 -0.193 -3.494 1.00 0.83 H new ATOM 0 HD1 TYR A2123 9.925 1.413 -2.161 1.00 1.93 H new ATOM 0 HD2 TYR A2123 5.809 0.796 -1.257 1.00 1.82 H new ATOM 0 HE1 TYR A2123 10.279 2.349 0.078 1.00 2.36 H new ATOM 0 HE2 TYR A2123 6.160 1.734 0.984 1.00 2.26 H new ATOM 0 HH TYR A2123 9.160 3.282 1.893 1.00 2.81 H new ATOM 1059 N SER A2124 9.438 1.854 -5.711 1.00 1.07 N ATOM 1060 CA SER A2124 10.309 1.632 -6.848 1.00 1.29 C ATOM 1061 C SER A2124 11.714 1.283 -6.354 1.00 1.24 C ATOM 1062 O SER A2124 12.005 1.443 -5.166 1.00 1.31 O ATOM 1063 CB SER A2124 10.330 2.891 -7.726 1.00 1.66 C ATOM 1064 OG SER A2124 9.011 3.335 -8.010 1.00 2.06 O ATOM 0 H SER A2124 9.770 2.569 -5.063 1.00 1.07 H new ATOM 0 HA SER A2124 9.939 0.799 -7.446 1.00 1.29 H new ATOM 0 HB2 SER A2124 10.883 3.682 -7.220 1.00 1.66 H new ATOM 0 HB3 SER A2124 10.855 2.680 -8.658 1.00 1.66 H new ATOM 0 HG SER A2124 9.050 4.139 -8.569 1.00 2.06 H new ATOM 1070 N PRO A2125 12.590 0.771 -7.235 1.00 1.46 N ATOM 1071 CA PRO A2125 13.982 0.461 -6.875 1.00 1.71 C ATOM 1072 C PRO A2125 14.699 1.659 -6.248 1.00 1.73 C ATOM 1073 O PRO A2125 14.873 2.698 -6.895 1.00 2.16 O ATOM 1074 CB PRO A2125 14.615 0.089 -8.217 1.00 2.09 C ATOM 1075 CG PRO A2125 13.482 -0.403 -9.044 1.00 2.09 C ATOM 1076 CD PRO A2125 12.298 0.427 -8.641 1.00 1.75 C ATOM 0 HA PRO A2125 14.049 -0.328 -6.126 1.00 1.71 H new ATOM 0 HB2 PRO A2125 15.098 0.950 -8.679 1.00 2.09 H new ATOM 0 HB3 PRO A2125 15.379 -0.679 -8.095 1.00 2.09 H new ATOM 0 HG2 PRO A2125 13.695 -0.291 -10.107 1.00 2.09 H new ATOM 0 HG3 PRO A2125 13.297 -1.462 -8.865 1.00 2.09 H new ATOM 0 HD2 PRO A2125 12.201 1.318 -9.262 1.00 1.75 H new ATOM 0 HD3 PRO A2125 11.366 -0.130 -8.734 1.00 1.75 H new