USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 411 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: A2058 MET CE :methyl -124:sc= -0.903 (180deg=-1.66!) USER MOD Set 1.2: A2077 ASN : amide:sc= -0.33 X(o=-1.2,f=-0.74) USER MOD Single : A2059 SER OG : rot 180:sc= 0 USER MOD Single : A2060 TYR OH : rot 180:sc= 0 USER MOD Single : A2062 TYR OH : rot 180:sc= 0 USER MOD Single : A2064 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2069 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2071 SER OG : rot 180:sc= 0 USER MOD Single : A2072 SER OG : rot -63:sc= -0.893! USER MOD Single : A2074 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2075 SER OG : rot 180:sc= 0 USER MOD Single : A2078 HIS : no HE2:sc= -9.2! C(o=-9.2!,f=-9.4!) USER MOD Single : A2079 SER OG : rot 180:sc= 0 USER MOD Single : A2080 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A2081 GLN : amide:sc= -4.36! C(o=-4.4!,f=-3.4!) USER MOD Single : A2088 LYS NZ :NH3+ -134:sc= -2.03! (180deg=-4.38!) USER MOD Single : A2101 THR OG1 : rot 180:sc= 0 USER MOD Single : A2109 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A2113 TYR OH : rot 180:sc= 0 USER MOD Single : A2115 SER OG : rot 180:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 72 N ARG A2057 -40.809 15.964 5.437 1.00 0.00 N ATOM 73 CA ARG A2057 -42.113 15.941 6.060 1.00 0.00 C ATOM 74 C ARG A2057 -42.048 16.536 7.452 1.00 0.00 C ATOM 75 O ARG A2057 -41.160 16.217 8.240 1.00 0.00 O ATOM 76 CB ARG A2057 -42.618 14.511 6.130 1.00 0.00 C ATOM 77 CG ARG A2057 -43.429 14.163 4.892 1.00 0.00 C ATOM 78 CD ARG A2057 -44.879 13.897 5.256 1.00 0.00 C ATOM 79 NE ARG A2057 -45.599 13.343 4.112 1.00 0.00 N ATOM 80 CZ ARG A2057 -46.670 13.943 3.605 1.00 0.00 C ATOM 81 NH1 ARG A2057 -47.778 14.047 4.326 1.00 0.00 N ATOM 82 NH2 ARG A2057 -46.634 14.436 2.375 1.00 0.00 N ATOM 0 HA ARG A2057 -42.800 16.539 5.461 1.00 0.00 H new ATOM 0 HB2 ARG A2057 -41.774 13.827 6.222 1.00 0.00 H new ATOM 0 HB3 ARG A2057 -43.232 14.381 7.021 1.00 0.00 H new ATOM 0 HG2 ARG A2057 -43.374 14.981 4.173 1.00 0.00 H new ATOM 0 HG3 ARG A2057 -43.003 13.284 4.408 1.00 0.00 H new ATOM 0 HD2 ARG A2057 -44.928 13.203 6.095 1.00 0.00 H new ATOM 0 HD3 ARG A2057 -45.355 14.823 5.579 1.00 0.00 H new ATOM 0 HE ARG A2057 -45.271 12.473 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A2057 -47.809 13.666 5.272 1.00 0.00 H new ATOM 0 HH12 ARG A2057 -48.600 14.508 3.935 1.00 0.00 H new ATOM 0 HH21 ARG A2057 -45.784 14.355 1.818 1.00 0.00 H new ATOM 0 HH22 ARG A2057 -47.457 14.897 1.986 1.00 0.00 H new ATOM 96 N MET A2058 -43.005 17.398 7.745 1.00 0.00 N ATOM 97 CA MET A2058 -43.080 18.049 9.046 1.00 0.00 C ATOM 98 C MET A2058 -44.489 17.919 9.596 1.00 0.00 C ATOM 99 O MET A2058 -45.389 18.667 9.214 1.00 0.00 O ATOM 100 CB MET A2058 -42.682 19.524 8.939 1.00 0.00 C ATOM 101 CG MET A2058 -42.493 19.958 7.485 1.00 0.00 C ATOM 102 SD MET A2058 -42.801 21.715 7.248 1.00 0.00 S ATOM 103 CE MET A2058 -44.504 21.834 7.812 1.00 0.00 C ATOM 0 H MET A2058 -43.746 17.666 7.097 1.00 0.00 H new ATOM 0 HA MET A2058 -42.382 17.561 9.726 1.00 0.00 H new ATOM 0 HB2 MET A2058 -43.449 20.142 9.406 1.00 0.00 H new ATOM 0 HB3 MET A2058 -41.757 19.692 9.491 1.00 0.00 H new ATOM 0 HG2 MET A2058 -41.477 19.724 7.168 1.00 0.00 H new ATOM 0 HG3 MET A2058 -43.166 19.385 6.847 1.00 0.00 H new ATOM 0 HE1 MET A2058 -45.119 22.267 7.023 1.00 0.00 H new ATOM 0 HE2 MET A2058 -44.876 20.839 8.058 1.00 0.00 H new ATOM 0 HE3 MET A2058 -44.551 22.468 8.698 1.00 0.00 H new ATOM 113 N SER A2059 -44.677 16.958 10.491 1.00 0.00 N ATOM 114 CA SER A2059 -45.980 16.717 11.094 1.00 0.00 C ATOM 115 C SER A2059 -45.909 16.928 12.594 1.00 0.00 C ATOM 116 O SER A2059 -45.023 17.615 13.089 1.00 0.00 O ATOM 117 CB SER A2059 -46.450 15.303 10.777 1.00 0.00 C ATOM 118 OG SER A2059 -47.645 15.339 10.011 1.00 0.00 O ATOM 0 H SER A2059 -43.941 16.331 10.816 1.00 0.00 H new ATOM 0 HA SER A2059 -46.698 17.424 10.678 1.00 0.00 H new ATOM 0 HB2 SER A2059 -45.674 14.770 10.228 1.00 0.00 H new ATOM 0 HB3 SER A2059 -46.620 14.753 11.703 1.00 0.00 H new ATOM 0 HG SER A2059 -47.934 14.424 9.813 1.00 0.00 H new ATOM 124 N TYR A2060 -46.856 16.362 13.317 1.00 0.00 N ATOM 125 CA TYR A2060 -46.898 16.526 14.761 1.00 0.00 C ATOM 126 C TYR A2060 -45.916 15.592 15.458 1.00 0.00 C ATOM 127 O TYR A2060 -45.804 14.415 15.115 1.00 0.00 O ATOM 128 CB TYR A2060 -48.314 16.281 15.255 1.00 0.00 C ATOM 129 CG TYR A2060 -49.276 17.346 14.788 1.00 0.00 C ATOM 130 CD1 TYR A2060 -49.178 18.641 15.277 1.00 0.00 C ATOM 131 CD2 TYR A2060 -50.256 17.029 13.866 1.00 0.00 C ATOM 132 CE1 TYR A2060 -50.064 19.612 14.841 1.00 0.00 C ATOM 133 CE2 TYR A2060 -51.141 18.002 13.433 1.00 0.00 C ATOM 134 CZ TYR A2060 -51.042 19.288 13.922 1.00 0.00 C ATOM 135 OH TYR A2060 -51.922 20.254 13.491 1.00 0.00 O ATOM 0 H TYR A2060 -47.605 15.786 12.932 1.00 0.00 H new ATOM 0 HA TYR A2060 -46.601 17.546 15.003 1.00 0.00 H new ATOM 0 HB2 TYR A2060 -48.655 15.307 14.904 1.00 0.00 H new ATOM 0 HB3 TYR A2060 -48.315 16.246 16.344 1.00 0.00 H new ATOM 0 HD1 TYR A2060 -48.412 18.891 15.996 1.00 0.00 H new ATOM 0 HD2 TYR A2060 -50.331 16.022 13.483 1.00 0.00 H new ATOM 0 HE1 TYR A2060 -49.990 20.621 15.219 1.00 0.00 H new ATOM 0 HE2 TYR A2060 -51.908 17.754 12.714 1.00 0.00 H new ATOM 0 HH TYR A2060 -52.546 19.863 12.845 1.00 0.00 H new ATOM 145 N CYS A2061 -45.216 16.138 16.448 1.00 0.00 N ATOM 146 CA CYS A2061 -44.239 15.383 17.225 1.00 0.00 C ATOM 147 C CYS A2061 -44.892 14.886 18.512 1.00 0.00 C ATOM 148 O CYS A2061 -45.636 15.623 19.152 1.00 0.00 O ATOM 149 CB CYS A2061 -43.048 16.275 17.571 1.00 0.00 C ATOM 150 SG CYS A2061 -41.947 15.506 18.771 1.00 0.00 S ATOM 0 H CYS A2061 -45.310 17.113 16.733 1.00 0.00 H new ATOM 0 HA CYS A2061 -43.891 14.534 16.637 1.00 0.00 H new ATOM 0 HB2 CYS A2061 -42.490 16.502 16.662 1.00 0.00 H new ATOM 0 HB3 CYS A2061 -43.410 17.223 17.968 1.00 0.00 H new ATOM 155 N TYR A2062 -44.612 13.651 18.906 1.00 0.00 N ATOM 156 CA TYR A2062 -45.181 13.110 20.134 1.00 0.00 C ATOM 157 C TYR A2062 -44.061 12.761 21.090 1.00 0.00 C ATOM 158 O TYR A2062 -43.021 12.253 20.675 1.00 0.00 O ATOM 159 CB TYR A2062 -46.025 11.880 19.847 1.00 0.00 C ATOM 160 CG TYR A2062 -47.275 12.193 19.059 1.00 0.00 C ATOM 161 CD1 TYR A2062 -47.228 12.272 17.677 1.00 0.00 C ATOM 162 CD2 TYR A2062 -48.474 12.395 19.720 1.00 0.00 C ATOM 163 CE1 TYR A2062 -48.380 12.554 16.960 1.00 0.00 C ATOM 164 CE2 TYR A2062 -49.624 12.677 19.001 1.00 0.00 C ATOM 165 CZ TYR A2062 -49.572 12.755 17.626 1.00 0.00 C ATOM 166 OH TYR A2062 -50.715 13.035 16.913 1.00 0.00 O ATOM 0 H TYR A2062 -44.001 13.010 18.400 1.00 0.00 H new ATOM 0 HA TYR A2062 -45.828 13.863 20.584 1.00 0.00 H new ATOM 0 HB2 TYR A2062 -45.426 11.156 19.295 1.00 0.00 H new ATOM 0 HB3 TYR A2062 -46.305 11.410 20.790 1.00 0.00 H new ATOM 0 HD1 TYR A2062 -46.294 12.114 17.158 1.00 0.00 H new ATOM 0 HD2 TYR A2062 -48.513 12.333 20.797 1.00 0.00 H new ATOM 0 HE1 TYR A2062 -48.345 12.616 15.882 1.00 0.00 H new ATOM 0 HE2 TYR A2062 -50.559 12.835 19.517 1.00 0.00 H new ATOM 0 HH TYR A2062 -51.467 13.148 17.531 1.00 0.00 H new ATOM 176 N ALA A2063 -44.261 13.071 22.361 1.00 0.00 N ATOM 177 CA ALA A2063 -43.250 12.824 23.374 1.00 0.00 C ATOM 178 C ALA A2063 -43.530 11.574 24.207 1.00 0.00 C ATOM 179 O ALA A2063 -42.704 11.206 25.044 1.00 0.00 O ATOM 180 CB ALA A2063 -43.162 14.036 24.288 1.00 0.00 C ATOM 0 H ALA A2063 -45.118 13.496 22.716 1.00 0.00 H new ATOM 0 HA ALA A2063 -42.305 12.653 22.858 1.00 0.00 H new ATOM 0 HB1 ALA A2063 -42.405 13.861 25.053 1.00 0.00 H new ATOM 0 HB2 ALA A2063 -42.890 14.914 23.703 1.00 0.00 H new ATOM 0 HB3 ALA A2063 -44.128 14.203 24.765 1.00 0.00 H new ATOM 186 N LYS A2064 -44.676 10.914 24.018 1.00 0.00 N ATOM 187 CA LYS A2064 -44.958 9.727 24.824 1.00 0.00 C ATOM 188 C LYS A2064 -45.719 8.634 24.107 1.00 0.00 C ATOM 189 O LYS A2064 -46.910 8.749 23.843 1.00 0.00 O ATOM 190 CB LYS A2064 -45.761 10.105 26.051 1.00 0.00 C ATOM 191 CG LYS A2064 -44.855 10.455 27.215 1.00 0.00 C ATOM 192 CD LYS A2064 -43.792 9.386 27.395 1.00 0.00 C ATOM 193 CE LYS A2064 -43.663 8.970 28.859 1.00 0.00 C ATOM 194 NZ LYS A2064 -42.460 9.581 29.492 1.00 0.00 N ATOM 0 H LYS A2064 -45.396 11.168 23.342 1.00 0.00 H new ATOM 0 HA LYS A2064 -43.974 9.331 25.076 1.00 0.00 H new ATOM 0 HB2 LYS A2064 -46.404 10.954 25.820 1.00 0.00 H new ATOM 0 HB3 LYS A2064 -46.413 9.278 26.331 1.00 0.00 H new ATOM 0 HG2 LYS A2064 -44.383 11.421 27.039 1.00 0.00 H new ATOM 0 HG3 LYS A2064 -45.444 10.549 28.127 1.00 0.00 H new ATOM 0 HD2 LYS A2064 -44.043 8.516 26.789 1.00 0.00 H new ATOM 0 HD3 LYS A2064 -42.833 9.760 27.035 1.00 0.00 H new ATOM 0 HE2 LYS A2064 -44.557 9.272 29.405 1.00 0.00 H new ATOM 0 HE3 LYS A2064 -43.600 7.884 28.926 1.00 0.00 H new ATOM 0 HZ1 LYS A2064 -42.400 9.280 30.486 1.00 0.00 H new ATOM 0 HZ2 LYS A2064 -41.606 9.273 28.984 1.00 0.00 H new ATOM 0 HZ3 LYS A2064 -42.533 10.617 29.448 1.00 0.00 H new ATOM 208 N PHE A2065 -45.036 7.537 23.870 1.00 0.00 N ATOM 209 CA PHE A2065 -45.664 6.386 23.249 1.00 0.00 C ATOM 210 C PHE A2065 -46.404 5.606 24.325 1.00 0.00 C ATOM 211 O PHE A2065 -45.793 4.848 25.078 1.00 0.00 O ATOM 212 CB PHE A2065 -44.620 5.497 22.579 1.00 0.00 C ATOM 213 CG PHE A2065 -45.230 4.553 21.578 1.00 0.00 C ATOM 214 CD1 PHE A2065 -45.617 5.019 20.331 1.00 0.00 C ATOM 215 CD2 PHE A2065 -45.416 3.221 21.907 1.00 0.00 C ATOM 216 CE1 PHE A2065 -46.187 4.150 19.415 1.00 0.00 C ATOM 217 CE2 PHE A2065 -45.984 2.353 20.992 1.00 0.00 C ATOM 218 CZ PHE A2065 -46.372 2.816 19.746 1.00 0.00 C ATOM 0 H PHE A2065 -44.049 7.414 24.096 1.00 0.00 H new ATOM 0 HA PHE A2065 -46.360 6.720 22.480 1.00 0.00 H new ATOM 0 HB2 PHE A2065 -43.880 6.123 22.081 1.00 0.00 H new ATOM 0 HB3 PHE A2065 -44.092 4.923 23.341 1.00 0.00 H new ATOM 0 HD1 PHE A2065 -45.474 6.058 20.074 1.00 0.00 H new ATOM 0 HD2 PHE A2065 -45.117 2.859 22.880 1.00 0.00 H new ATOM 0 HE1 PHE A2065 -46.487 4.512 18.443 1.00 0.00 H new ATOM 0 HE2 PHE A2065 -46.125 1.314 21.250 1.00 0.00 H new ATOM 0 HZ PHE A2065 -46.818 2.139 19.033 1.00 0.00 H new ATOM 228 N GLU A2066 -47.714 5.818 24.417 1.00 0.00 N ATOM 229 CA GLU A2066 -48.526 5.151 25.434 1.00 0.00 C ATOM 230 C GLU A2066 -48.707 3.674 25.115 1.00 0.00 C ATOM 231 O GLU A2066 -49.750 3.266 24.603 1.00 0.00 O ATOM 232 CB GLU A2066 -49.884 5.834 25.546 1.00 0.00 C ATOM 233 CG GLU A2066 -50.036 6.540 26.889 1.00 0.00 C ATOM 234 CD GLU A2066 -49.957 5.530 28.027 1.00 0.00 C ATOM 235 OE1 GLU A2066 -50.178 4.328 27.771 1.00 0.00 O ATOM 236 OE2 GLU A2066 -49.672 5.943 29.170 1.00 0.00 O ATOM 0 H GLU A2066 -48.236 6.444 23.803 1.00 0.00 H new ATOM 0 HA GLU A2066 -48.004 5.227 26.388 1.00 0.00 H new ATOM 0 HB2 GLU A2066 -49.999 6.556 24.737 1.00 0.00 H new ATOM 0 HB3 GLU A2066 -50.677 5.095 25.429 1.00 0.00 H new ATOM 0 HG2 GLU A2066 -49.254 7.290 27.004 1.00 0.00 H new ATOM 0 HG3 GLU A2066 -50.990 7.066 26.926 1.00 0.00 H new ATOM 243 N GLY A2067 -47.686 2.883 25.441 1.00 0.00 N ATOM 244 CA GLY A2067 -47.698 1.439 25.220 1.00 0.00 C ATOM 245 C GLY A2067 -48.673 1.034 24.125 1.00 0.00 C ATOM 246 O GLY A2067 -49.409 0.058 24.274 1.00 0.00 O ATOM 0 H GLY A2067 -46.825 3.227 25.867 1.00 0.00 H new ATOM 0 HA2 GLY A2067 -46.695 1.106 24.953 1.00 0.00 H new ATOM 0 HA3 GLY A2067 -47.966 0.933 26.148 1.00 0.00 H new ATOM 250 N GLY A2068 -48.680 1.775 23.021 1.00 0.00 N ATOM 251 CA GLY A2068 -49.572 1.458 21.914 1.00 0.00 C ATOM 252 C GLY A2068 -49.977 2.697 21.126 1.00 0.00 C ATOM 253 O GLY A2068 -50.425 2.583 19.985 1.00 0.00 O ATOM 0 H GLY A2068 -48.085 2.590 22.871 1.00 0.00 H new ATOM 0 HA2 GLY A2068 -49.082 0.750 21.246 1.00 0.00 H new ATOM 0 HA3 GLY A2068 -50.466 0.967 22.299 1.00 0.00 H new ATOM 257 N LYS A2069 -49.833 3.881 21.717 1.00 0.00 N ATOM 258 CA LYS A2069 -50.203 5.102 21.026 1.00 0.00 C ATOM 259 C LYS A2069 -49.161 6.171 21.275 1.00 0.00 C ATOM 260 O LYS A2069 -48.078 5.883 21.776 1.00 0.00 O ATOM 261 CB LYS A2069 -51.569 5.573 21.506 1.00 0.00 C ATOM 262 CG LYS A2069 -51.510 6.059 22.948 1.00 0.00 C ATOM 263 CD LYS A2069 -52.903 6.113 23.568 1.00 0.00 C ATOM 264 CE LYS A2069 -53.887 6.840 22.656 1.00 0.00 C ATOM 265 NZ LYS A2069 -54.957 7.513 23.444 1.00 0.00 N ATOM 0 H LYS A2069 -49.467 4.015 22.660 1.00 0.00 H new ATOM 0 HA LYS A2069 -50.255 4.907 19.955 1.00 0.00 H new ATOM 0 HB2 LYS A2069 -51.926 6.378 20.863 1.00 0.00 H new ATOM 0 HB3 LYS A2069 -52.287 4.757 21.424 1.00 0.00 H new ATOM 0 HG2 LYS A2069 -50.874 5.395 23.533 1.00 0.00 H new ATOM 0 HG3 LYS A2069 -51.055 7.049 22.983 1.00 0.00 H new ATOM 0 HD2 LYS A2069 -53.259 5.100 23.757 1.00 0.00 H new ATOM 0 HD3 LYS A2069 -52.855 6.619 24.532 1.00 0.00 H new ATOM 0 HE2 LYS A2069 -53.354 7.578 22.057 1.00 0.00 H new ATOM 0 HE3 LYS A2069 -54.336 6.130 21.961 1.00 0.00 H new ATOM 0 HZ1 LYS A2069 -55.611 7.999 22.797 1.00 0.00 H new ATOM 0 HZ2 LYS A2069 -55.480 6.804 23.996 1.00 0.00 H new ATOM 0 HZ3 LYS A2069 -54.529 8.207 24.089 1.00 0.00 H new ATOM 279 N CYS A2070 -49.486 7.402 20.915 1.00 0.00 N ATOM 280 CA CYS A2070 -48.572 8.512 21.094 1.00 0.00 C ATOM 281 C CYS A2070 -49.197 9.567 21.993 1.00 0.00 C ATOM 282 O CYS A2070 -50.421 9.700 22.045 1.00 0.00 O ATOM 283 CB CYS A2070 -48.249 9.117 19.739 1.00 0.00 C ATOM 284 SG CYS A2070 -49.695 9.187 18.666 1.00 0.00 S ATOM 0 H CYS A2070 -50.381 7.656 20.496 1.00 0.00 H new ATOM 0 HA CYS A2070 -47.656 8.152 21.563 1.00 0.00 H new ATOM 0 HB2 CYS A2070 -47.851 10.122 19.877 1.00 0.00 H new ATOM 0 HB3 CYS A2070 -47.468 8.529 19.257 1.00 0.00 H new ATOM 289 N SER A2071 -48.360 10.316 22.699 1.00 0.00 N ATOM 290 CA SER A2071 -48.853 11.360 23.593 1.00 0.00 C ATOM 291 C SER A2071 -47.917 12.557 23.585 1.00 0.00 C ATOM 292 O SER A2071 -46.872 12.528 22.943 1.00 0.00 O ATOM 293 CB SER A2071 -48.984 10.813 25.007 1.00 0.00 C ATOM 294 OG SER A2071 -50.340 10.859 25.431 1.00 0.00 O ATOM 0 H SER A2071 -47.345 10.223 22.672 1.00 0.00 H new ATOM 0 HA SER A2071 -49.833 11.684 23.241 1.00 0.00 H new ATOM 0 HB2 SER A2071 -48.620 9.786 25.042 1.00 0.00 H new ATOM 0 HB3 SER A2071 -48.363 11.395 25.688 1.00 0.00 H new ATOM 0 HG SER A2071 -50.410 10.503 26.341 1.00 0.00 H new ATOM 300 N SER A2072 -48.302 13.611 24.297 1.00 0.00 N ATOM 301 CA SER A2072 -47.493 14.823 24.368 1.00 0.00 C ATOM 302 C SER A2072 -47.214 15.344 22.968 1.00 0.00 C ATOM 303 O SER A2072 -46.064 15.417 22.534 1.00 0.00 O ATOM 304 CB SER A2072 -46.184 14.531 25.090 1.00 0.00 C ATOM 305 OG SER A2072 -45.428 15.723 25.247 1.00 0.00 O ATOM 0 H SER A2072 -49.169 13.651 24.833 1.00 0.00 H new ATOM 0 HA SER A2072 -48.040 15.584 24.924 1.00 0.00 H new ATOM 0 HB2 SER A2072 -46.390 14.092 26.066 1.00 0.00 H new ATOM 0 HB3 SER A2072 -45.606 13.798 24.527 1.00 0.00 H new ATOM 0 HG SER A2072 -45.185 16.075 24.365 1.00 0.00 H new ATOM 311 N PRO A2073 -48.278 15.699 22.241 1.00 0.00 N ATOM 312 CA PRO A2073 -48.181 16.207 20.869 1.00 0.00 C ATOM 313 C PRO A2073 -47.939 17.711 20.823 1.00 0.00 C ATOM 314 O PRO A2073 -48.772 18.499 21.272 1.00 0.00 O ATOM 315 CB PRO A2073 -49.539 15.854 20.287 1.00 0.00 C ATOM 316 CG PRO A2073 -50.485 15.907 21.444 1.00 0.00 C ATOM 317 CD PRO A2073 -49.677 15.622 22.690 1.00 0.00 C ATOM 0 HA PRO A2073 -47.341 15.779 20.321 1.00 0.00 H new ATOM 0 HB2 PRO A2073 -49.829 16.559 19.508 1.00 0.00 H new ATOM 0 HB3 PRO A2073 -49.528 14.863 19.832 1.00 0.00 H new ATOM 0 HG2 PRO A2073 -50.961 16.886 21.508 1.00 0.00 H new ATOM 0 HG3 PRO A2073 -51.282 15.173 21.325 1.00 0.00 H new ATOM 0 HD2 PRO A2073 -49.884 16.351 23.474 1.00 0.00 H new ATOM 0 HD3 PRO A2073 -49.910 14.639 23.099 1.00 0.00 H new ATOM 325 N LYS A2074 -46.791 18.103 20.279 1.00 0.00 N ATOM 326 CA LYS A2074 -46.429 19.513 20.174 1.00 0.00 C ATOM 327 C LYS A2074 -47.517 20.298 19.447 1.00 0.00 C ATOM 328 O LYS A2074 -48.270 19.741 18.648 1.00 0.00 O ATOM 329 CB LYS A2074 -45.103 19.652 19.431 1.00 0.00 C ATOM 330 CG LYS A2074 -44.015 18.801 20.085 1.00 0.00 C ATOM 331 CD LYS A2074 -43.311 19.542 21.224 1.00 0.00 C ATOM 332 CE LYS A2074 -44.241 20.515 21.943 1.00 0.00 C ATOM 333 NZ LYS A2074 -43.491 21.359 22.915 1.00 0.00 N ATOM 0 H LYS A2074 -46.093 17.462 19.903 1.00 0.00 H new ATOM 0 HA LYS A2074 -46.325 19.920 21.180 1.00 0.00 H new ATOM 0 HB2 LYS A2074 -45.231 19.349 18.392 1.00 0.00 H new ATOM 0 HB3 LYS A2074 -44.795 20.698 19.422 1.00 0.00 H new ATOM 0 HG2 LYS A2074 -44.457 17.882 20.470 1.00 0.00 H new ATOM 0 HG3 LYS A2074 -43.281 18.512 19.333 1.00 0.00 H new ATOM 0 HD2 LYS A2074 -42.922 18.818 21.940 1.00 0.00 H new ATOM 0 HD3 LYS A2074 -42.455 20.087 20.826 1.00 0.00 H new ATOM 0 HE2 LYS A2074 -44.739 21.152 21.213 1.00 0.00 H new ATOM 0 HE3 LYS A2074 -45.020 19.959 22.465 1.00 0.00 H new ATOM 0 HZ1 LYS A2074 -44.149 22.011 23.389 1.00 0.00 H new ATOM 0 HZ2 LYS A2074 -43.036 20.750 23.625 1.00 0.00 H new ATOM 0 HZ3 LYS A2074 -42.764 21.906 22.411 1.00 0.00 H new ATOM 347 N SER A2075 -47.591 21.598 19.726 1.00 0.00 N ATOM 348 CA SER A2075 -48.584 22.467 19.098 1.00 0.00 C ATOM 349 C SER A2075 -48.369 22.516 17.591 1.00 0.00 C ATOM 350 O SER A2075 -49.254 22.157 16.815 1.00 0.00 O ATOM 351 CB SER A2075 -48.490 23.873 19.681 1.00 0.00 C ATOM 352 OG SER A2075 -49.215 23.951 20.901 1.00 0.00 O ATOM 0 H SER A2075 -46.974 22.073 20.384 1.00 0.00 H new ATOM 0 HA SER A2075 -49.576 22.063 19.298 1.00 0.00 H new ATOM 0 HB2 SER A2075 -47.446 24.133 19.853 1.00 0.00 H new ATOM 0 HB3 SER A2075 -48.885 24.597 18.968 1.00 0.00 H new ATOM 0 HG SER A2075 -49.145 24.858 21.266 1.00 0.00 H new ATOM 358 N ARG A2076 -47.184 22.958 17.182 1.00 0.00 N ATOM 359 CA ARG A2076 -46.841 23.047 15.766 1.00 0.00 C ATOM 360 C ARG A2076 -46.192 21.749 15.317 1.00 0.00 C ATOM 361 O ARG A2076 -46.131 20.784 16.079 1.00 0.00 O ATOM 362 CB ARG A2076 -45.888 24.215 15.527 1.00 0.00 C ATOM 363 CG ARG A2076 -46.625 25.431 14.972 1.00 0.00 C ATOM 364 CD ARG A2076 -45.675 26.354 14.215 1.00 0.00 C ATOM 365 NE ARG A2076 -45.174 27.400 15.102 1.00 0.00 N ATOM 366 CZ ARG A2076 -44.084 28.102 14.807 1.00 0.00 C ATOM 367 NH1 ARG A2076 -42.975 27.481 14.428 1.00 0.00 N ATOM 368 NH2 ARG A2076 -44.103 29.425 14.892 1.00 0.00 N ATOM 0 H ARG A2076 -46.442 23.261 17.813 1.00 0.00 H new ATOM 0 HA ARG A2076 -47.751 23.214 15.189 1.00 0.00 H new ATOM 0 HB2 ARG A2076 -45.395 24.482 16.462 1.00 0.00 H new ATOM 0 HB3 ARG A2076 -45.106 23.912 14.830 1.00 0.00 H new ATOM 0 HG2 ARG A2076 -47.424 25.103 14.307 1.00 0.00 H new ATOM 0 HG3 ARG A2076 -47.095 25.979 15.789 1.00 0.00 H new ATOM 0 HD2 ARG A2076 -44.841 25.779 13.812 1.00 0.00 H new ATOM 0 HD3 ARG A2076 -46.192 26.803 13.367 1.00 0.00 H new ATOM 0 HE ARG A2076 -45.673 27.597 15.970 1.00 0.00 H new ATOM 0 HH11 ARG A2076 -42.957 26.463 14.362 1.00 0.00 H new ATOM 0 HH12 ARG A2076 -42.140 28.021 14.202 1.00 0.00 H new ATOM 0 HH21 ARG A2076 -44.954 29.905 15.184 1.00 0.00 H new ATOM 0 HH22 ARG A2076 -43.266 29.963 14.666 1.00 0.00 H new ATOM 382 N ASN A2077 -45.708 21.716 14.081 1.00 0.00 N ATOM 383 CA ASN A2077 -45.072 20.517 13.559 1.00 0.00 C ATOM 384 C ASN A2077 -43.587 20.732 13.316 1.00 0.00 C ATOM 385 O ASN A2077 -43.085 21.856 13.347 1.00 0.00 O ATOM 386 CB ASN A2077 -45.752 20.046 12.281 1.00 0.00 C ATOM 387 CG ASN A2077 -46.686 21.108 11.731 1.00 0.00 C ATOM 388 OD1 ASN A2077 -47.815 21.262 12.196 1.00 0.00 O ATOM 389 ND2 ASN A2077 -46.215 21.838 10.739 1.00 0.00 N ATOM 0 H ASN A2077 -45.744 22.499 13.428 1.00 0.00 H new ATOM 0 HA ASN A2077 -45.182 19.741 14.316 1.00 0.00 H new ATOM 0 HB2 ASN A2077 -44.997 19.800 11.534 1.00 0.00 H new ATOM 0 HB3 ASN A2077 -46.313 19.133 12.480 1.00 0.00 H new ATOM 0 HD21 ASN A2077 -46.794 22.568 10.323 1.00 0.00 H new ATOM 0 HD22 ASN A2077 -45.272 21.673 10.387 1.00 0.00 H new ATOM 396 N HIS A2078 -42.897 19.623 13.104 1.00 0.00 N ATOM 397 CA HIS A2078 -41.458 19.607 12.883 1.00 0.00 C ATOM 398 C HIS A2078 -41.110 18.410 12.013 1.00 0.00 C ATOM 399 O HIS A2078 -41.964 17.565 11.759 1.00 0.00 O ATOM 400 CB HIS A2078 -40.748 19.483 14.232 1.00 0.00 C ATOM 401 CG HIS A2078 -41.700 19.546 15.393 1.00 0.00 C ATOM 402 ND1 HIS A2078 -42.831 18.776 15.483 1.00 0.00 N ATOM 403 CD2 HIS A2078 -41.715 20.311 16.509 1.00 0.00 C ATOM 404 CE1 HIS A2078 -43.501 19.052 16.579 1.00 0.00 C ATOM 405 NE2 HIS A2078 -42.845 19.989 17.235 1.00 0.00 N ATOM 0 H HIS A2078 -43.324 18.697 13.080 1.00 0.00 H new ATOM 0 HA HIS A2078 -41.142 20.526 12.389 1.00 0.00 H new ATOM 0 HB2 HIS A2078 -40.201 18.541 14.266 1.00 0.00 H new ATOM 0 HB3 HIS A2078 -40.012 20.282 14.326 1.00 0.00 H new ATOM 0 HD1 HIS A2078 -43.114 18.082 14.792 1.00 0.00 H new ATOM 0 HD2 HIS A2078 -40.973 21.046 16.784 1.00 0.00 H new ATOM 0 HE1 HIS A2078 -44.428 18.592 16.889 1.00 0.00 H new ATOM 413 N SER A2079 -39.858 18.307 11.584 1.00 0.00 N ATOM 414 CA SER A2079 -39.446 17.163 10.783 1.00 0.00 C ATOM 415 C SER A2079 -39.300 15.967 11.710 1.00 0.00 C ATOM 416 O SER A2079 -39.051 16.131 12.903 1.00 0.00 O ATOM 417 CB SER A2079 -38.129 17.443 10.069 1.00 0.00 C ATOM 418 OG SER A2079 -38.107 18.774 9.576 1.00 0.00 O ATOM 0 H SER A2079 -39.123 18.988 11.773 1.00 0.00 H new ATOM 0 HA SER A2079 -40.195 16.961 10.018 1.00 0.00 H new ATOM 0 HB2 SER A2079 -37.296 17.289 10.755 1.00 0.00 H new ATOM 0 HB3 SER A2079 -37.998 16.741 9.245 1.00 0.00 H new ATOM 0 HG SER A2079 -37.255 18.940 9.121 1.00 0.00 H new ATOM 424 N LYS A2080 -39.471 14.769 11.176 1.00 0.00 N ATOM 425 CA LYS A2080 -39.372 13.569 11.991 1.00 0.00 C ATOM 426 C LYS A2080 -37.976 13.430 12.580 1.00 0.00 C ATOM 427 O LYS A2080 -37.775 12.711 13.559 1.00 0.00 O ATOM 428 CB LYS A2080 -39.762 12.346 11.174 1.00 0.00 C ATOM 429 CG LYS A2080 -38.620 11.861 10.306 1.00 0.00 C ATOM 430 CD LYS A2080 -38.281 10.411 10.630 1.00 0.00 C ATOM 431 CE LYS A2080 -37.971 9.621 9.365 1.00 0.00 C ATOM 432 NZ LYS A2080 -38.585 8.265 9.415 1.00 0.00 N ATOM 0 H LYS A2080 -39.677 14.602 10.191 1.00 0.00 H new ATOM 0 HA LYS A2080 -40.069 13.651 12.825 1.00 0.00 H new ATOM 0 HB2 LYS A2080 -40.074 11.545 11.845 1.00 0.00 H new ATOM 0 HB3 LYS A2080 -40.619 12.587 10.545 1.00 0.00 H new ATOM 0 HG2 LYS A2080 -38.892 11.951 9.254 1.00 0.00 H new ATOM 0 HG3 LYS A2080 -37.743 12.489 10.464 1.00 0.00 H new ATOM 0 HD2 LYS A2080 -37.424 10.377 11.302 1.00 0.00 H new ATOM 0 HD3 LYS A2080 -39.117 9.948 11.155 1.00 0.00 H new ATOM 0 HE2 LYS A2080 -38.345 10.161 8.495 1.00 0.00 H new ATOM 0 HE3 LYS A2080 -36.891 9.530 9.245 1.00 0.00 H new ATOM 0 HZ1 LYS A2080 -38.358 7.749 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A2080 -38.209 7.744 10.233 1.00 0.00 H new ATOM 0 HZ3 LYS A2080 -39.617 8.354 9.506 1.00 0.00 H new ATOM 446 N GLN A2081 -37.019 14.148 12.005 1.00 0.00 N ATOM 447 CA GLN A2081 -35.653 14.126 12.501 1.00 0.00 C ATOM 448 C GLN A2081 -35.490 15.192 13.575 1.00 0.00 C ATOM 449 O GLN A2081 -34.677 15.057 14.487 1.00 0.00 O ATOM 450 CB GLN A2081 -34.673 14.393 11.365 1.00 0.00 C ATOM 451 CG GLN A2081 -35.204 13.899 10.023 1.00 0.00 C ATOM 452 CD GLN A2081 -34.043 13.494 9.121 1.00 0.00 C ATOM 453 OE1 GLN A2081 -34.189 12.629 8.258 1.00 0.00 O ATOM 454 NE2 GLN A2081 -32.884 14.119 9.319 1.00 0.00 N ATOM 0 H GLN A2081 -37.166 14.751 11.196 1.00 0.00 H new ATOM 0 HA GLN A2081 -35.444 13.143 12.922 1.00 0.00 H new ATOM 0 HB2 GLN A2081 -34.472 15.463 11.304 1.00 0.00 H new ATOM 0 HB3 GLN A2081 -33.724 13.902 11.582 1.00 0.00 H new ATOM 0 HG2 GLN A2081 -35.870 13.050 10.176 1.00 0.00 H new ATOM 0 HG3 GLN A2081 -35.791 14.682 9.544 1.00 0.00 H new ATOM 0 HE21 GLN A2081 -32.806 14.830 10.046 1.00 0.00 H new ATOM 0 HE22 GLN A2081 -32.074 13.886 8.744 1.00 0.00 H new ATOM 463 N GLU A2082 -36.276 16.257 13.456 1.00 0.00 N ATOM 464 CA GLU A2082 -36.226 17.359 14.410 1.00 0.00 C ATOM 465 C GLU A2082 -36.869 16.958 15.732 1.00 0.00 C ATOM 466 O GLU A2082 -36.463 17.424 16.797 1.00 0.00 O ATOM 467 CB GLU A2082 -36.951 18.572 13.839 1.00 0.00 C ATOM 468 CG GLU A2082 -37.040 19.694 14.868 1.00 0.00 C ATOM 469 CD GLU A2082 -37.446 20.997 14.194 1.00 0.00 C ATOM 470 OE1 GLU A2082 -37.383 21.067 12.948 1.00 0.00 O ATOM 471 OE2 GLU A2082 -37.826 21.946 14.911 1.00 0.00 O ATOM 0 H GLU A2082 -36.957 16.380 12.706 1.00 0.00 H new ATOM 0 HA GLU A2082 -35.181 17.609 14.591 1.00 0.00 H new ATOM 0 HB2 GLU A2082 -36.427 18.929 12.952 1.00 0.00 H new ATOM 0 HB3 GLU A2082 -37.954 18.284 13.523 1.00 0.00 H new ATOM 0 HG2 GLU A2082 -37.766 19.434 15.638 1.00 0.00 H new ATOM 0 HG3 GLU A2082 -36.078 19.818 15.365 1.00 0.00 H new ATOM 478 N CYS A2083 -37.885 16.108 15.656 1.00 0.00 N ATOM 479 CA CYS A2083 -38.603 15.657 16.843 1.00 0.00 C ATOM 480 C CYS A2083 -37.907 14.469 17.498 1.00 0.00 C ATOM 481 O CYS A2083 -37.683 14.462 18.709 1.00 0.00 O ATOM 482 CB CYS A2083 -40.032 15.279 16.453 1.00 0.00 C ATOM 483 SG CYS A2083 -40.837 14.225 17.674 1.00 0.00 S ATOM 0 H CYS A2083 -38.232 15.715 14.781 1.00 0.00 H new ATOM 0 HA CYS A2083 -38.619 16.471 17.568 1.00 0.00 H new ATOM 0 HB2 CYS A2083 -40.620 16.188 16.321 1.00 0.00 H new ATOM 0 HB3 CYS A2083 -40.017 14.766 15.491 1.00 0.00 H new ATOM 488 N CYS A2084 -37.601 13.453 16.703 1.00 0.00 N ATOM 489 CA CYS A2084 -36.970 12.243 17.221 1.00 0.00 C ATOM 490 C CYS A2084 -35.485 12.433 17.517 1.00 0.00 C ATOM 491 O CYS A2084 -34.873 11.582 18.165 1.00 0.00 O ATOM 492 CB CYS A2084 -37.148 11.098 16.230 1.00 0.00 C ATOM 493 SG CYS A2084 -36.371 9.582 16.808 1.00 0.00 S ATOM 0 H CYS A2084 -37.778 13.441 15.699 1.00 0.00 H new ATOM 0 HA CYS A2084 -37.463 12.007 18.164 1.00 0.00 H new ATOM 0 HB2 CYS A2084 -38.211 10.921 16.067 1.00 0.00 H new ATOM 0 HB3 CYS A2084 -36.720 11.381 15.268 1.00 0.00 H new ATOM 498 N CYS A2085 -34.889 13.520 17.036 1.00 0.00 N ATOM 499 CA CYS A2085 -33.460 13.744 17.265 1.00 0.00 C ATOM 500 C CYS A2085 -33.178 15.091 17.926 1.00 0.00 C ATOM 501 O CYS A2085 -32.291 15.190 18.774 1.00 0.00 O ATOM 502 CB CYS A2085 -32.714 13.655 15.944 1.00 0.00 C ATOM 503 SG CYS A2085 -31.580 12.258 15.897 1.00 0.00 S ATOM 0 H CYS A2085 -35.358 14.247 16.496 1.00 0.00 H new ATOM 0 HA CYS A2085 -33.113 12.970 17.949 1.00 0.00 H new ATOM 0 HB2 CYS A2085 -33.432 13.566 15.129 1.00 0.00 H new ATOM 0 HB3 CYS A2085 -32.158 14.578 15.780 1.00 0.00 H new ATOM 508 N ALA A2086 -33.907 16.129 17.534 1.00 0.00 N ATOM 509 CA ALA A2086 -33.689 17.458 18.100 1.00 0.00 C ATOM 510 C ALA A2086 -34.543 17.661 19.340 1.00 0.00 C ATOM 511 O ALA A2086 -34.268 18.542 20.155 1.00 0.00 O ATOM 512 CB ALA A2086 -34.020 18.530 17.066 1.00 0.00 C ATOM 0 H ALA A2086 -34.647 16.080 16.834 1.00 0.00 H new ATOM 0 HA ALA A2086 -32.639 17.541 18.382 1.00 0.00 H new ATOM 0 HB1 ALA A2086 -33.854 19.517 17.499 1.00 0.00 H new ATOM 0 HB2 ALA A2086 -33.379 18.404 16.193 1.00 0.00 H new ATOM 0 HB3 ALA A2086 -35.064 18.436 16.766 1.00 0.00 H new ATOM 518 N LEU A2087 -35.584 16.851 19.477 1.00 0.00 N ATOM 519 CA LEU A2087 -36.481 16.958 20.622 1.00 0.00 C ATOM 520 C LEU A2087 -36.573 15.634 21.374 1.00 0.00 C ATOM 521 O LEU A2087 -37.065 15.585 22.502 1.00 0.00 O ATOM 522 CB LEU A2087 -37.855 17.405 20.144 1.00 0.00 C ATOM 523 CG LEU A2087 -37.717 18.594 19.203 1.00 0.00 C ATOM 524 CD1 LEU A2087 -38.903 18.682 18.250 1.00 0.00 C ATOM 525 CD2 LEU A2087 -37.569 19.887 19.996 1.00 0.00 C ATOM 0 H LEU A2087 -35.828 16.116 18.814 1.00 0.00 H new ATOM 0 HA LEU A2087 -36.083 17.699 21.315 1.00 0.00 H new ATOM 0 HB2 LEU A2087 -38.357 16.583 19.634 1.00 0.00 H new ATOM 0 HB3 LEU A2087 -38.476 17.676 20.998 1.00 0.00 H new ATOM 0 HG LEU A2087 -36.817 18.448 18.605 1.00 0.00 H new ATOM 0 HD11 LEU A2087 -38.777 19.540 17.590 1.00 0.00 H new ATOM 0 HD12 LEU A2087 -38.959 17.771 17.654 1.00 0.00 H new ATOM 0 HD13 LEU A2087 -39.823 18.797 18.823 1.00 0.00 H new ATOM 0 HD21 LEU A2087 -37.471 20.727 19.308 1.00 0.00 H new ATOM 0 HD22 LEU A2087 -38.449 20.032 20.623 1.00 0.00 H new ATOM 0 HD23 LEU A2087 -36.681 19.828 20.625 1.00 0.00 H new ATOM 537 N LYS A2088 -36.088 14.565 20.751 1.00 0.00 N ATOM 538 CA LYS A2088 -36.104 13.240 21.365 1.00 0.00 C ATOM 539 C LYS A2088 -37.402 12.998 22.127 1.00 0.00 C ATOM 540 O LYS A2088 -37.471 13.212 23.338 1.00 0.00 O ATOM 541 CB LYS A2088 -34.917 13.096 22.313 1.00 0.00 C ATOM 542 CG LYS A2088 -33.633 12.789 21.549 1.00 0.00 C ATOM 543 CD LYS A2088 -32.758 11.802 22.316 1.00 0.00 C ATOM 544 CE LYS A2088 -33.412 10.426 22.388 1.00 0.00 C ATOM 545 NZ LYS A2088 -34.292 10.309 23.586 1.00 0.00 N ATOM 0 H LYS A2088 -35.677 14.590 19.818 1.00 0.00 H new ATOM 0 HA LYS A2088 -36.033 12.498 20.570 1.00 0.00 H new ATOM 0 HB2 LYS A2088 -34.792 14.015 22.885 1.00 0.00 H new ATOM 0 HB3 LYS A2088 -35.116 12.299 23.030 1.00 0.00 H new ATOM 0 HG2 LYS A2088 -33.879 12.377 20.570 1.00 0.00 H new ATOM 0 HG3 LYS A2088 -33.080 13.712 21.377 1.00 0.00 H new ATOM 0 HD2 LYS A2088 -31.786 11.720 21.830 1.00 0.00 H new ATOM 0 HD3 LYS A2088 -32.580 12.176 23.324 1.00 0.00 H new ATOM 0 HE2 LYS A2088 -33.997 10.251 21.485 1.00 0.00 H new ATOM 0 HE3 LYS A2088 -32.642 9.656 22.423 1.00 0.00 H new ATOM 0 HZ1 LYS A2088 -34.109 9.404 24.064 1.00 0.00 H new ATOM 0 HZ2 LYS A2088 -34.094 11.093 24.240 1.00 0.00 H new ATOM 0 HZ3 LYS A2088 -35.288 10.348 23.290 1.00 0.00 H new ATOM 559 N GLY A2089 -38.425 12.537 21.415 1.00 0.00 N ATOM 560 CA GLY A2089 -39.720 12.249 22.026 1.00 0.00 C ATOM 561 C GLY A2089 -39.981 10.751 22.027 1.00 0.00 C ATOM 562 O GLY A2089 -39.050 9.946 22.051 1.00 0.00 O ATOM 0 H GLY A2089 -38.383 12.354 20.412 1.00 0.00 H new ATOM 0 HA2 GLY A2089 -39.741 12.629 23.047 1.00 0.00 H new ATOM 0 HA3 GLY A2089 -40.510 12.762 21.479 1.00 0.00 H new ATOM 566 N GLU A2090 -41.254 10.384 21.982 1.00 0.00 N ATOM 567 CA GLU A2090 -41.651 8.984 21.959 1.00 0.00 C ATOM 568 C GLU A2090 -41.700 8.503 20.530 1.00 0.00 C ATOM 569 O GLU A2090 -41.250 7.408 20.209 1.00 0.00 O ATOM 570 CB GLU A2090 -43.035 8.810 22.573 1.00 0.00 C ATOM 571 CG GLU A2090 -44.125 9.470 21.713 1.00 0.00 C ATOM 572 CD GLU A2090 -44.578 8.535 20.599 1.00 0.00 C ATOM 573 OE1 GLU A2090 -44.002 7.438 20.470 1.00 0.00 O ATOM 574 OE2 GLU A2090 -45.510 8.906 19.854 1.00 0.00 O ATOM 0 H GLU A2090 -42.034 11.041 21.961 1.00 0.00 H new ATOM 0 HA GLU A2090 -40.925 8.409 22.534 1.00 0.00 H new ATOM 0 HB2 GLU A2090 -43.253 7.748 22.685 1.00 0.00 H new ATOM 0 HB3 GLU A2090 -43.047 9.245 23.573 1.00 0.00 H new ATOM 0 HG2 GLU A2090 -44.977 9.736 22.339 1.00 0.00 H new ATOM 0 HG3 GLU A2090 -43.744 10.396 21.283 1.00 0.00 H new ATOM 581 N GLY A2091 -42.278 9.342 19.691 1.00 0.00 N ATOM 582 CA GLY A2091 -42.439 9.049 18.271 1.00 0.00 C ATOM 583 C GLY A2091 -42.631 10.341 17.493 1.00 0.00 C ATOM 584 O GLY A2091 -42.445 11.430 18.037 1.00 0.00 O ATOM 0 H GLY A2091 -42.651 10.249 19.971 1.00 0.00 H new ATOM 0 HA2 GLY A2091 -41.563 8.517 17.899 1.00 0.00 H new ATOM 0 HA3 GLY A2091 -43.297 8.394 18.121 1.00 0.00 H new ATOM 588 N TRP A2092 -42.997 10.233 16.219 1.00 0.00 N ATOM 589 CA TRP A2092 -43.196 11.428 15.399 1.00 0.00 C ATOM 590 C TRP A2092 -44.267 11.231 14.328 1.00 0.00 C ATOM 591 O TRP A2092 -44.659 10.110 14.011 1.00 0.00 O ATOM 592 CB TRP A2092 -41.882 11.819 14.733 1.00 0.00 C ATOM 593 CG TRP A2092 -42.083 12.778 13.601 1.00 0.00 C ATOM 594 CD1 TRP A2092 -42.076 14.143 13.673 1.00 0.00 C ATOM 595 CD2 TRP A2092 -42.359 12.444 12.223 1.00 0.00 C ATOM 596 NE1 TRP A2092 -42.288 14.645 12.418 1.00 0.00 N ATOM 597 CE2 TRP A2092 -42.479 13.647 11.521 1.00 0.00 C ATOM 598 CE3 TRP A2092 -42.506 11.248 11.515 1.00 0.00 C ATOM 599 CZ2 TRP A2092 -42.741 13.689 10.164 1.00 0.00 C ATOM 600 CZ3 TRP A2092 -42.773 11.281 10.154 1.00 0.00 C ATOM 601 CH2 TRP A2092 -42.892 12.493 9.485 1.00 0.00 C ATOM 0 H TRP A2092 -43.160 9.349 15.737 1.00 0.00 H new ATOM 0 HA TRP A2092 -43.538 12.221 16.064 1.00 0.00 H new ATOM 0 HB2 TRP A2092 -41.221 12.268 15.474 1.00 0.00 H new ATOM 0 HB3 TRP A2092 -41.384 10.923 14.363 1.00 0.00 H new ATOM 0 HD1 TRP A2092 -41.928 14.727 14.569 1.00 0.00 H new ATOM 0 HE1 TRP A2092 -42.301 15.639 12.188 1.00 0.00 H new ATOM 0 HE3 TRP A2092 -42.412 10.301 12.026 1.00 0.00 H new ATOM 0 HZ2 TRP A2092 -42.826 14.633 9.646 1.00 0.00 H new ATOM 0 HZ3 TRP A2092 -42.889 10.356 9.609 1.00 0.00 H new ATOM 0 HH2 TRP A2092 -43.104 12.502 8.426 1.00 0.00 H new ATOM 612 N GLY A2093 -44.711 12.351 13.757 1.00 0.00 N ATOM 613 CA GLY A2093 -45.713 12.346 12.698 1.00 0.00 C ATOM 614 C GLY A2093 -47.119 12.191 13.251 1.00 0.00 C ATOM 615 O GLY A2093 -47.312 11.651 14.340 1.00 0.00 O ATOM 0 H GLY A2093 -44.386 13.282 14.016 1.00 0.00 H new ATOM 0 HA2 GLY A2093 -45.646 13.274 12.130 1.00 0.00 H new ATOM 0 HA3 GLY A2093 -45.504 11.532 12.004 1.00 0.00 H new ATOM 619 N ASP A2094 -48.105 12.642 12.479 1.00 0.00 N ATOM 620 CA ASP A2094 -49.496 12.518 12.888 1.00 0.00 C ATOM 621 C ASP A2094 -49.733 11.052 13.220 1.00 0.00 C ATOM 622 O ASP A2094 -50.231 10.717 14.294 1.00 0.00 O ATOM 623 CB ASP A2094 -50.426 13.034 11.775 1.00 0.00 C ATOM 624 CG ASP A2094 -51.289 11.920 11.183 1.00 0.00 C ATOM 625 OD1 ASP A2094 -51.985 11.230 11.957 1.00 0.00 O ATOM 626 OD2 ASP A2094 -51.266 11.743 9.946 1.00 0.00 O ATOM 0 H ASP A2094 -47.966 13.093 11.575 1.00 0.00 H new ATOM 0 HA ASP A2094 -49.715 13.125 13.766 1.00 0.00 H new ATOM 0 HB2 ASP A2094 -51.070 13.817 12.176 1.00 0.00 H new ATOM 0 HB3 ASP A2094 -49.828 13.487 10.985 1.00 0.00 H new ATOM 631 N PRO A2095 -49.304 10.162 12.312 1.00 0.00 N ATOM 632 CA PRO A2095 -49.381 8.721 12.509 1.00 0.00 C ATOM 633 C PRO A2095 -48.148 8.287 13.286 1.00 0.00 C ATOM 634 O PRO A2095 -47.261 7.618 12.755 1.00 0.00 O ATOM 635 CB PRO A2095 -49.371 8.152 11.094 1.00 0.00 C ATOM 636 CG PRO A2095 -48.803 9.228 10.211 1.00 0.00 C ATOM 637 CD PRO A2095 -48.640 10.482 11.045 1.00 0.00 C ATOM 0 HA PRO A2095 -50.257 8.388 13.065 1.00 0.00 H new ATOM 0 HB2 PRO A2095 -48.765 7.247 11.043 1.00 0.00 H new ATOM 0 HB3 PRO A2095 -50.378 7.880 10.777 1.00 0.00 H new ATOM 0 HG2 PRO A2095 -47.843 8.916 9.800 1.00 0.00 H new ATOM 0 HG3 PRO A2095 -49.465 9.416 9.366 1.00 0.00 H new ATOM 0 HD2 PRO A2095 -47.588 10.725 11.197 1.00 0.00 H new ATOM 0 HD3 PRO A2095 -49.100 11.344 10.561 1.00 0.00 H new ATOM 645 N CYS A2096 -48.083 8.741 14.534 1.00 0.00 N ATOM 646 CA CYS A2096 -46.948 8.489 15.407 1.00 0.00 C ATOM 647 C CYS A2096 -46.224 7.202 15.053 1.00 0.00 C ATOM 648 O CYS A2096 -46.809 6.119 15.027 1.00 0.00 O ATOM 649 CB CYS A2096 -47.401 8.439 16.865 1.00 0.00 C ATOM 650 SG CYS A2096 -49.161 8.106 17.046 1.00 0.00 S ATOM 0 H CYS A2096 -48.821 9.296 14.967 1.00 0.00 H new ATOM 0 HA CYS A2096 -46.248 9.313 15.266 1.00 0.00 H new ATOM 0 HB2 CYS A2096 -46.836 7.668 17.389 1.00 0.00 H new ATOM 0 HB3 CYS A2096 -47.166 9.389 17.345 1.00 0.00 H new ATOM 655 N GLU A2097 -44.928 7.347 14.808 1.00 0.00 N ATOM 656 CA GLU A2097 -44.057 6.232 14.481 1.00 0.00 C ATOM 657 C GLU A2097 -42.913 6.216 15.481 1.00 0.00 C ATOM 658 O GLU A2097 -42.164 7.189 15.593 1.00 0.00 O ATOM 659 CB GLU A2097 -43.518 6.374 13.058 1.00 0.00 C ATOM 660 CG GLU A2097 -43.383 7.841 12.658 1.00 0.00 C ATOM 661 CD GLU A2097 -42.522 7.969 11.409 1.00 0.00 C ATOM 662 OE1 GLU A2097 -41.305 7.699 11.494 1.00 0.00 O ATOM 663 OE2 GLU A2097 -43.065 8.340 10.347 1.00 0.00 O ATOM 0 H GLU A2097 -44.451 8.248 14.831 1.00 0.00 H new ATOM 0 HA GLU A2097 -44.614 5.296 14.534 1.00 0.00 H new ATOM 0 HB2 GLU A2097 -42.547 5.884 12.984 1.00 0.00 H new ATOM 0 HB3 GLU A2097 -44.185 5.865 12.362 1.00 0.00 H new ATOM 0 HG2 GLU A2097 -44.369 8.267 12.474 1.00 0.00 H new ATOM 0 HG3 GLU A2097 -42.938 8.409 13.475 1.00 0.00 H new ATOM 670 N LEU A2098 -42.806 5.131 16.232 1.00 0.00 N ATOM 671 CA LEU A2098 -41.776 5.005 17.255 1.00 0.00 C ATOM 672 C LEU A2098 -40.479 5.683 16.828 1.00 0.00 C ATOM 673 O LEU A2098 -39.834 5.281 15.858 1.00 0.00 O ATOM 674 CB LEU A2098 -41.517 3.537 17.570 1.00 0.00 C ATOM 675 CG LEU A2098 -40.593 3.395 18.775 1.00 0.00 C ATOM 676 CD1 LEU A2098 -39.141 3.621 18.366 1.00 0.00 C ATOM 677 CD2 LEU A2098 -40.994 4.382 19.870 1.00 0.00 C ATOM 0 H LEU A2098 -43.422 4.322 16.153 1.00 0.00 H new ATOM 0 HA LEU A2098 -42.139 5.505 18.153 1.00 0.00 H new ATOM 0 HB2 LEU A2098 -42.462 3.031 17.769 1.00 0.00 H new ATOM 0 HB3 LEU A2098 -41.070 3.048 16.704 1.00 0.00 H new ATOM 0 HG LEU A2098 -40.688 2.382 19.165 1.00 0.00 H new ATOM 0 HD11 LEU A2098 -38.497 3.516 19.239 1.00 0.00 H new ATOM 0 HD12 LEU A2098 -38.856 2.885 17.614 1.00 0.00 H new ATOM 0 HD13 LEU A2098 -39.031 4.624 17.953 1.00 0.00 H new ATOM 0 HD21 LEU A2098 -40.326 4.269 20.724 1.00 0.00 H new ATOM 0 HD22 LEU A2098 -40.924 5.400 19.486 1.00 0.00 H new ATOM 0 HD23 LEU A2098 -42.019 4.182 20.182 1.00 0.00 H new ATOM 689 N CYS A2099 -40.108 6.708 17.582 1.00 0.00 N ATOM 690 CA CYS A2099 -38.888 7.470 17.335 1.00 0.00 C ATOM 691 C CYS A2099 -37.662 6.588 17.558 1.00 0.00 C ATOM 692 O CYS A2099 -37.405 6.141 18.676 1.00 0.00 O ATOM 693 CB CYS A2099 -38.856 8.679 18.278 1.00 0.00 C ATOM 694 SG CYS A2099 -37.189 9.275 18.628 1.00 0.00 S ATOM 0 H CYS A2099 -40.645 7.037 18.385 1.00 0.00 H new ATOM 0 HA CYS A2099 -38.875 7.816 16.301 1.00 0.00 H new ATOM 0 HB2 CYS A2099 -39.438 9.489 17.838 1.00 0.00 H new ATOM 0 HB3 CYS A2099 -39.342 8.411 19.216 1.00 0.00 H new ATOM 699 N PRO A2100 -36.886 6.332 16.493 1.00 0.00 N ATOM 700 CA PRO A2100 -35.677 5.501 16.582 1.00 0.00 C ATOM 701 C PRO A2100 -34.654 6.085 17.548 1.00 0.00 C ATOM 702 O PRO A2100 -34.742 7.250 17.934 1.00 0.00 O ATOM 703 CB PRO A2100 -35.111 5.461 15.169 1.00 0.00 C ATOM 704 CG PRO A2100 -36.102 6.137 14.276 1.00 0.00 C ATOM 705 CD PRO A2100 -37.125 6.833 15.135 1.00 0.00 C ATOM 0 HA PRO A2100 -35.915 4.508 16.964 1.00 0.00 H new ATOM 0 HB2 PRO A2100 -34.147 5.967 15.126 1.00 0.00 H new ATOM 0 HB3 PRO A2100 -34.945 4.432 14.850 1.00 0.00 H new ATOM 0 HG2 PRO A2100 -35.600 6.856 13.629 1.00 0.00 H new ATOM 0 HG3 PRO A2100 -36.586 5.407 13.627 1.00 0.00 H new ATOM 0 HD2 PRO A2100 -37.009 7.916 15.088 1.00 0.00 H new ATOM 0 HD3 PRO A2100 -38.138 6.606 14.804 1.00 0.00 H new ATOM 713 N THR A2101 -33.685 5.264 17.936 1.00 0.00 N ATOM 714 CA THR A2101 -32.643 5.689 18.862 1.00 0.00 C ATOM 715 C THR A2101 -31.283 5.164 18.419 1.00 0.00 C ATOM 716 O THR A2101 -31.192 4.143 17.741 1.00 0.00 O ATOM 717 CB THR A2101 -32.962 5.178 20.258 1.00 0.00 C ATOM 718 OG1 THR A2101 -33.820 4.050 20.177 1.00 0.00 O ATOM 719 CG2 THR A2101 -33.613 6.271 21.094 1.00 0.00 C ATOM 0 H THR A2101 -33.600 4.297 17.622 1.00 0.00 H new ATOM 0 HA THR A2101 -32.607 6.778 18.871 1.00 0.00 H new ATOM 0 HB THR A2101 -32.030 4.884 20.741 1.00 0.00 H new ATOM 0 HG1 THR A2101 -34.020 3.725 21.080 1.00 0.00 H new ATOM 0 HG21 THR A2101 -33.833 5.885 22.089 1.00 0.00 H new ATOM 0 HG22 THR A2101 -32.934 7.120 21.176 1.00 0.00 H new ATOM 0 HG23 THR A2101 -34.539 6.592 20.616 1.00 0.00 H new ATOM 727 N GLU A2102 -30.229 5.875 18.807 1.00 0.00 N ATOM 728 CA GLU A2102 -28.869 5.489 18.450 1.00 0.00 C ATOM 729 C GLU A2102 -28.446 4.251 19.235 1.00 0.00 C ATOM 730 O GLU A2102 -28.973 3.976 20.313 1.00 0.00 O ATOM 731 CB GLU A2102 -27.915 6.666 18.709 1.00 0.00 C ATOM 732 CG GLU A2102 -26.993 6.431 19.909 1.00 0.00 C ATOM 733 CD GLU A2102 -27.799 6.424 21.202 1.00 0.00 C ATOM 734 OE1 GLU A2102 -28.616 7.347 21.398 1.00 0.00 O ATOM 735 OE2 GLU A2102 -27.612 5.495 22.015 1.00 0.00 O ATOM 0 H GLU A2102 -30.291 6.723 19.370 1.00 0.00 H new ATOM 0 HA GLU A2102 -28.829 5.239 17.390 1.00 0.00 H new ATOM 0 HB2 GLU A2102 -27.309 6.839 17.820 1.00 0.00 H new ATOM 0 HB3 GLU A2102 -28.499 7.571 18.877 1.00 0.00 H new ATOM 0 HG2 GLU A2102 -26.470 5.482 19.794 1.00 0.00 H new ATOM 0 HG3 GLU A2102 -26.233 7.211 19.951 1.00 0.00 H new ATOM 742 N PRO A2103 -27.481 3.492 18.697 1.00 0.00 N ATOM 743 CA PRO A2103 -26.838 3.798 17.417 1.00 0.00 C ATOM 744 C PRO A2103 -27.583 3.172 16.243 1.00 0.00 C ATOM 745 O PRO A2103 -26.991 2.867 15.208 1.00 0.00 O ATOM 746 CB PRO A2103 -25.455 3.181 17.567 1.00 0.00 C ATOM 747 CG PRO A2103 -25.598 2.089 18.588 1.00 0.00 C ATOM 748 CD PRO A2103 -26.930 2.270 19.286 1.00 0.00 C ATOM 0 HA PRO A2103 -26.818 4.867 17.206 1.00 0.00 H new ATOM 0 HB2 PRO A2103 -25.100 2.783 16.616 1.00 0.00 H new ATOM 0 HB3 PRO A2103 -24.728 3.926 17.891 1.00 0.00 H new ATOM 0 HG2 PRO A2103 -25.549 1.111 18.109 1.00 0.00 H new ATOM 0 HG3 PRO A2103 -24.781 2.132 19.309 1.00 0.00 H new ATOM 0 HD2 PRO A2103 -27.587 1.416 19.119 1.00 0.00 H new ATOM 0 HD3 PRO A2103 -26.804 2.369 20.364 1.00 0.00 H new ATOM 756 N ASP A2104 -28.884 2.976 16.419 1.00 0.00 N ATOM 757 CA ASP A2104 -29.722 2.375 15.384 1.00 0.00 C ATOM 758 C ASP A2104 -29.475 3.036 14.035 1.00 0.00 C ATOM 759 O ASP A2104 -29.171 4.227 13.960 1.00 0.00 O ATOM 760 CB ASP A2104 -31.193 2.508 15.761 1.00 0.00 C ATOM 761 CG ASP A2104 -32.058 1.691 14.811 1.00 0.00 C ATOM 762 OD1 ASP A2104 -31.567 0.666 14.292 1.00 0.00 O ATOM 763 OD2 ASP A2104 -33.224 2.077 14.584 1.00 0.00 O ATOM 0 H ASP A2104 -29.385 3.225 17.272 1.00 0.00 H new ATOM 0 HA ASP A2104 -29.463 1.319 15.305 1.00 0.00 H new ATOM 0 HB2 ASP A2104 -31.345 2.168 16.785 1.00 0.00 H new ATOM 0 HB3 ASP A2104 -31.491 3.556 15.725 1.00 0.00 H new ATOM 768 N GLU A2105 -29.614 2.252 12.969 1.00 0.00 N ATOM 769 CA GLU A2105 -29.413 2.753 11.614 1.00 0.00 C ATOM 770 C GLU A2105 -30.376 3.897 11.334 1.00 0.00 C ATOM 771 O GLU A2105 -29.976 4.952 10.843 1.00 0.00 O ATOM 772 CB GLU A2105 -29.630 1.631 10.603 1.00 0.00 C ATOM 773 CG GLU A2105 -29.255 2.075 9.192 1.00 0.00 C ATOM 774 CD GLU A2105 -27.739 2.111 9.032 1.00 0.00 C ATOM 775 OE1 GLU A2105 -27.090 2.943 9.699 1.00 0.00 O ATOM 776 OE2 GLU A2105 -27.206 1.307 8.240 1.00 0.00 O ATOM 0 H GLU A2105 -29.866 1.265 13.019 1.00 0.00 H new ATOM 0 HA GLU A2105 -28.390 3.119 11.522 1.00 0.00 H new ATOM 0 HB2 GLU A2105 -29.032 0.764 10.885 1.00 0.00 H new ATOM 0 HB3 GLU A2105 -30.674 1.318 10.623 1.00 0.00 H new ATOM 0 HG2 GLU A2105 -29.688 1.392 8.462 1.00 0.00 H new ATOM 0 HG3 GLU A2105 -29.672 3.062 8.991 1.00 0.00 H new ATOM 783 N ALA A2106 -31.648 3.686 11.652 1.00 0.00 N ATOM 784 CA ALA A2106 -32.666 4.707 11.440 1.00 0.00 C ATOM 785 C ALA A2106 -32.319 5.954 12.241 1.00 0.00 C ATOM 786 O ALA A2106 -32.377 7.070 11.728 1.00 0.00 O ATOM 787 CB ALA A2106 -34.034 4.178 11.863 1.00 0.00 C ATOM 0 H ALA A2106 -31.998 2.818 12.057 1.00 0.00 H new ATOM 0 HA ALA A2106 -32.700 4.961 10.381 1.00 0.00 H new ATOM 0 HB1 ALA A2106 -34.788 4.948 11.701 1.00 0.00 H new ATOM 0 HB2 ALA A2106 -34.282 3.297 11.271 1.00 0.00 H new ATOM 0 HB3 ALA A2106 -34.010 3.911 12.919 1.00 0.00 H new ATOM 793 N PHE A2107 -31.954 5.756 13.501 1.00 0.00 N ATOM 794 CA PHE A2107 -31.593 6.863 14.376 1.00 0.00 C ATOM 795 C PHE A2107 -30.705 7.857 13.642 1.00 0.00 C ATOM 796 O PHE A2107 -31.071 9.016 13.464 1.00 0.00 O ATOM 797 CB PHE A2107 -30.857 6.349 15.602 1.00 0.00 C ATOM 798 CG PHE A2107 -30.247 7.469 16.409 1.00 0.00 C ATOM 799 CD1 PHE A2107 -31.018 8.166 17.324 1.00 0.00 C ATOM 800 CD2 PHE A2107 -28.916 7.812 16.224 1.00 0.00 C ATOM 801 CE1 PHE A2107 -30.461 9.203 18.054 1.00 0.00 C ATOM 802 CE2 PHE A2107 -28.358 8.848 16.956 1.00 0.00 C ATOM 803 CZ PHE A2107 -29.131 9.544 17.870 1.00 0.00 C ATOM 0 H PHE A2107 -31.900 4.837 13.940 1.00 0.00 H new ATOM 0 HA PHE A2107 -32.512 7.362 14.685 1.00 0.00 H new ATOM 0 HB2 PHE A2107 -31.548 5.785 16.229 1.00 0.00 H new ATOM 0 HB3 PHE A2107 -30.073 5.658 15.291 1.00 0.00 H new ATOM 0 HD1 PHE A2107 -32.055 7.901 17.469 1.00 0.00 H new ATOM 0 HD2 PHE A2107 -28.314 7.271 15.509 1.00 0.00 H new ATOM 0 HE1 PHE A2107 -31.064 9.746 18.767 1.00 0.00 H new ATOM 0 HE2 PHE A2107 -27.321 9.112 16.814 1.00 0.00 H new ATOM 0 HZ PHE A2107 -28.697 10.353 18.439 1.00 0.00 H new ATOM 813 N ARG A2108 -29.527 7.402 13.231 1.00 0.00 N ATOM 814 CA ARG A2108 -28.580 8.259 12.527 1.00 0.00 C ATOM 815 C ARG A2108 -29.201 8.818 11.252 1.00 0.00 C ATOM 816 O ARG A2108 -28.842 9.908 10.805 1.00 0.00 O ATOM 817 CB ARG A2108 -27.311 7.475 12.205 1.00 0.00 C ATOM 818 CG ARG A2108 -27.454 6.678 10.911 1.00 0.00 C ATOM 819 CD ARG A2108 -26.998 7.494 9.706 1.00 0.00 C ATOM 820 NE ARG A2108 -27.752 7.101 8.518 1.00 0.00 N ATOM 821 CZ ARG A2108 -27.543 7.675 7.336 1.00 0.00 C ATOM 822 NH1 ARG A2108 -27.742 8.977 7.184 1.00 0.00 N ATOM 823 NH2 ARG A2108 -27.136 6.946 6.306 1.00 0.00 N ATOM 0 H ARG A2108 -29.205 6.445 13.373 1.00 0.00 H new ATOM 0 HA ARG A2108 -28.323 9.099 13.172 1.00 0.00 H new ATOM 0 HB2 ARG A2108 -26.470 8.163 12.118 1.00 0.00 H new ATOM 0 HB3 ARG A2108 -27.084 6.797 13.027 1.00 0.00 H new ATOM 0 HG2 ARG A2108 -26.865 5.763 10.978 1.00 0.00 H new ATOM 0 HG3 ARG A2108 -28.494 6.379 10.778 1.00 0.00 H new ATOM 0 HD2 ARG A2108 -27.141 8.557 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A2108 -25.932 7.342 9.536 1.00 0.00 H new ATOM 0 HE ARG A2108 -28.457 6.368 8.597 1.00 0.00 H new ATOM 0 HH11 ARG A2108 -28.056 9.541 7.974 1.00 0.00 H new ATOM 0 HH12 ARG A2108 -27.581 9.415 6.277 1.00 0.00 H new ATOM 0 HH21 ARG A2108 -26.983 5.944 6.419 1.00 0.00 H new ATOM 0 HH22 ARG A2108 -26.976 7.387 5.400 1.00 0.00 H new ATOM 837 N GLN A2109 -30.135 8.073 10.669 1.00 0.00 N ATOM 838 CA GLN A2109 -30.801 8.511 9.446 1.00 0.00 C ATOM 839 C GLN A2109 -31.371 9.910 9.638 1.00 0.00 C ATOM 840 O GLN A2109 -31.417 10.708 8.702 1.00 0.00 O ATOM 841 CB GLN A2109 -31.919 7.539 9.076 1.00 0.00 C ATOM 842 CG GLN A2109 -32.407 7.780 7.650 1.00 0.00 C ATOM 843 CD GLN A2109 -33.540 6.820 7.309 1.00 0.00 C ATOM 844 OE1 GLN A2109 -33.369 5.901 6.508 1.00 0.00 O ATOM 845 NE2 GLN A2109 -34.701 7.035 7.917 1.00 0.00 N ATOM 0 H GLN A2109 -30.447 7.168 11.021 1.00 0.00 H new ATOM 0 HA GLN A2109 -30.071 8.531 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A2109 -31.561 6.514 9.173 1.00 0.00 H new ATOM 0 HB3 GLN A2109 -32.750 7.653 9.772 1.00 0.00 H new ATOM 0 HG2 GLN A2109 -32.750 8.809 7.545 1.00 0.00 H new ATOM 0 HG3 GLN A2109 -31.583 7.645 6.949 1.00 0.00 H new ATOM 0 HE21 GLN A2109 -34.797 7.809 8.574 1.00 0.00 H new ATOM 0 HE22 GLN A2109 -35.497 6.426 7.727 1.00 0.00 H new ATOM 854 N ILE A2110 -31.798 10.204 10.863 1.00 0.00 N ATOM 855 CA ILE A2110 -32.359 11.511 11.191 1.00 0.00 C ATOM 856 C ILE A2110 -31.303 12.382 11.856 1.00 0.00 C ATOM 857 O ILE A2110 -31.472 13.596 11.970 1.00 0.00 O ATOM 858 CB ILE A2110 -33.562 11.367 12.123 1.00 0.00 C ATOM 859 CG1 ILE A2110 -33.292 10.315 13.196 1.00 0.00 C ATOM 860 CG2 ILE A2110 -34.822 11.018 11.340 1.00 0.00 C ATOM 861 CD1 ILE A2110 -34.460 10.208 14.172 1.00 0.00 C ATOM 0 H ILE A2110 -31.766 9.552 11.647 1.00 0.00 H new ATOM 0 HA ILE A2110 -32.687 11.982 10.264 1.00 0.00 H new ATOM 0 HB ILE A2110 -33.722 12.327 12.613 1.00 0.00 H new ATOM 0 HG12 ILE A2110 -33.119 9.347 12.725 1.00 0.00 H new ATOM 0 HG13 ILE A2110 -32.383 10.572 13.740 1.00 0.00 H new ATOM 0 HG21 ILE A2110 -35.662 10.921 12.027 1.00 0.00 H new ATOM 0 HG22 ILE A2110 -35.032 11.807 10.618 1.00 0.00 H new ATOM 0 HG23 ILE A2110 -34.674 10.075 10.814 1.00 0.00 H new ATOM 0 HD11 ILE A2110 -34.238 9.451 14.924 1.00 0.00 H new ATOM 0 HD12 ILE A2110 -34.615 11.170 14.661 1.00 0.00 H new ATOM 0 HD13 ILE A2110 -35.363 9.927 13.630 1.00 0.00 H new ATOM 873 N CYS A2111 -30.214 11.758 12.299 1.00 0.00 N ATOM 874 CA CYS A2111 -29.137 12.488 12.959 1.00 0.00 C ATOM 875 C CYS A2111 -27.823 12.306 12.210 1.00 0.00 C ATOM 876 O CYS A2111 -26.972 11.515 12.614 1.00 0.00 O ATOM 877 CB CYS A2111 -28.981 12.002 14.395 1.00 0.00 C ATOM 878 SG CYS A2111 -29.772 13.100 15.580 1.00 0.00 S ATOM 0 H CYS A2111 -30.055 10.754 12.213 1.00 0.00 H new ATOM 0 HA CYS A2111 -29.393 13.548 12.961 1.00 0.00 H new ATOM 0 HB2 CYS A2111 -29.409 11.004 14.486 1.00 0.00 H new ATOM 0 HB3 CYS A2111 -27.921 11.917 14.634 1.00 0.00 H new ATOM 883 N PRO A2112 -27.638 13.048 11.109 1.00 0.00 N ATOM 884 CA PRO A2112 -26.412 12.976 10.302 1.00 0.00 C ATOM 885 C PRO A2112 -25.199 13.455 11.089 1.00 0.00 C ATOM 886 O PRO A2112 -24.057 13.216 10.699 1.00 0.00 O ATOM 887 CB PRO A2112 -26.673 13.892 9.108 1.00 0.00 C ATOM 888 CG PRO A2112 -28.122 14.260 9.162 1.00 0.00 C ATOM 889 CD PRO A2112 -28.598 14.015 10.570 1.00 0.00 C ATOM 0 HA PRO A2112 -26.190 11.952 10.000 1.00 0.00 H new ATOM 0 HB2 PRO A2112 -26.045 14.782 9.157 1.00 0.00 H new ATOM 0 HB3 PRO A2112 -26.436 13.386 8.172 1.00 0.00 H new ATOM 0 HG2 PRO A2112 -28.263 15.305 8.886 1.00 0.00 H new ATOM 0 HG3 PRO A2112 -28.696 13.663 8.454 1.00 0.00 H new ATOM 0 HD2 PRO A2112 -28.607 14.936 11.154 1.00 0.00 H new ATOM 0 HD3 PRO A2112 -29.613 13.619 10.584 1.00 0.00 H new ATOM 897 N TYR A2113 -25.460 14.134 12.203 1.00 0.00 N ATOM 898 CA TYR A2113 -24.397 14.651 13.058 1.00 0.00 C ATOM 899 C TYR A2113 -24.525 14.073 14.461 1.00 0.00 C ATOM 900 O TYR A2113 -23.529 13.728 15.096 1.00 0.00 O ATOM 901 CB TYR A2113 -24.466 16.174 13.111 1.00 0.00 C ATOM 902 CG TYR A2113 -25.122 16.774 11.890 1.00 0.00 C ATOM 903 CD1 TYR A2113 -24.521 16.651 10.649 1.00 0.00 C ATOM 904 CD2 TYR A2113 -26.327 17.445 12.009 1.00 0.00 C ATOM 905 CE1 TYR A2113 -25.124 17.200 9.529 1.00 0.00 C ATOM 906 CE2 TYR A2113 -26.929 17.993 10.887 1.00 0.00 C ATOM 907 CZ TYR A2113 -26.326 17.868 9.654 1.00 0.00 C ATOM 908 OH TYR A2113 -26.925 18.412 8.541 1.00 0.00 O ATOM 0 H TYR A2113 -26.402 14.339 12.535 1.00 0.00 H new ATOM 0 HA TYR A2113 -23.434 14.354 12.643 1.00 0.00 H new ATOM 0 HB2 TYR A2113 -25.018 16.477 14.000 1.00 0.00 H new ATOM 0 HB3 TYR A2113 -23.457 16.575 13.210 1.00 0.00 H new ATOM 0 HD1 TYR A2113 -23.582 16.127 10.554 1.00 0.00 H new ATOM 0 HD2 TYR A2113 -26.798 17.542 12.976 1.00 0.00 H new ATOM 0 HE1 TYR A2113 -24.655 17.106 8.561 1.00 0.00 H new ATOM 0 HE2 TYR A2113 -27.869 18.517 10.979 1.00 0.00 H new ATOM 0 HH TYR A2113 -27.764 18.846 8.801 1.00 0.00 H new ATOM 918 N GLY A2114 -25.761 13.968 14.938 1.00 0.00 N ATOM 919 CA GLY A2114 -26.031 13.427 16.266 1.00 0.00 C ATOM 920 C GLY A2114 -27.227 14.125 16.901 1.00 0.00 C ATOM 921 O GLY A2114 -27.789 15.059 16.330 1.00 0.00 O ATOM 0 H GLY A2114 -26.594 14.251 14.423 1.00 0.00 H new ATOM 0 HA2 GLY A2114 -26.224 12.357 16.195 1.00 0.00 H new ATOM 0 HA3 GLY A2114 -25.153 13.551 16.900 1.00 0.00 H new ATOM 925 N SER A2115 -27.611 13.664 18.086 1.00 0.00 N ATOM 926 CA SER A2115 -28.743 14.239 18.807 1.00 0.00 C ATOM 927 C SER A2115 -28.592 15.752 18.924 1.00 0.00 C ATOM 928 O SER A2115 -28.042 16.256 19.902 1.00 0.00 O ATOM 929 CB SER A2115 -28.842 13.619 20.198 1.00 0.00 C ATOM 930 OG SER A2115 -27.654 12.900 20.503 1.00 0.00 O ATOM 0 H SER A2115 -27.154 12.891 18.570 1.00 0.00 H new ATOM 0 HA SER A2115 -29.655 14.023 18.250 1.00 0.00 H new ATOM 0 HB2 SER A2115 -29.004 14.400 20.941 1.00 0.00 H new ATOM 0 HB3 SER A2115 -29.702 12.951 20.246 1.00 0.00 H new ATOM 0 HG SER A2115 -27.729 12.509 21.398 1.00 0.00 H new