USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=14 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 -158:sc= -0.72 (180deg=-2.17!) USER MOD Set 1.2: A2077 ASN : amide:sc= -0.173 X(o=-0.89,f=-0.89) 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 -169:sc= 0.526 USER MOD Single : A2064 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.0292) 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 180:sc= 0 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= -7.68! C(o=-7.7!,f=-12!) USER MOD Single : A2079 SER OG : rot 180:sc= 0.0911 USER MOD Single : A2080 LYS NZ :NH3+ 152:sc= -0.0774 (180deg=-0.474) USER MOD Single : A2081 GLN : amide:sc= -5.15! C(o=-5.1!,f=-5.3!) USER MOD Single : A2088 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 61:sc= 0.0823 USER MOD ----------------------------------------------------------------- ATOM 72 N ARG A2057 -41.116 16.664 5.511 1.00 0.00 N ATOM 73 CA ARG A2057 -42.417 16.505 6.116 1.00 0.00 C ATOM 74 C ARG A2057 -42.392 17.042 7.533 1.00 0.00 C ATOM 75 O ARG A2057 -41.469 16.763 8.293 1.00 0.00 O ATOM 76 CB ARG A2057 -42.797 15.034 6.123 1.00 0.00 C ATOM 77 CG ARG A2057 -43.726 14.706 4.964 1.00 0.00 C ATOM 78 CD ARG A2057 -45.052 14.179 5.480 1.00 0.00 C ATOM 79 NE ARG A2057 -45.950 13.868 4.372 1.00 0.00 N ATOM 80 CZ ARG A2057 -47.175 13.396 4.579 1.00 0.00 C ATOM 81 NH1 ARG A2057 -47.814 13.675 5.708 1.00 0.00 N ATOM 82 NH2 ARG A2057 -47.764 12.645 3.657 1.00 0.00 N ATOM 0 HA ARG A2057 -43.156 17.062 5.540 1.00 0.00 H new ATOM 0 HB2 ARG A2057 -41.897 14.422 6.057 1.00 0.00 H new ATOM 0 HB3 ARG A2057 -43.284 14.785 7.066 1.00 0.00 H new ATOM 0 HG2 ARG A2057 -43.892 15.598 4.360 1.00 0.00 H new ATOM 0 HG3 ARG A2057 -43.260 13.964 4.315 1.00 0.00 H new ATOM 0 HD2 ARG A2057 -44.885 13.285 6.081 1.00 0.00 H new ATOM 0 HD3 ARG A2057 -45.514 14.920 6.132 1.00 0.00 H new ATOM 0 HE ARG A2057 -45.629 14.017 3.415 1.00 0.00 H new ATOM 0 HH11 ARG A2057 -47.365 14.253 6.419 1.00 0.00 H new ATOM 0 HH12 ARG A2057 -48.754 13.312 5.865 1.00 0.00 H new ATOM 0 HH21 ARG A2057 -47.276 12.429 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A2057 -48.704 12.284 3.818 1.00 0.00 H new ATOM 96 N MET A2058 -43.411 17.810 7.883 1.00 0.00 N ATOM 97 CA MET A2058 -43.510 18.391 9.215 1.00 0.00 C ATOM 98 C MET A2058 -44.865 18.068 9.822 1.00 0.00 C ATOM 99 O MET A2058 -45.841 18.792 9.619 1.00 0.00 O ATOM 100 CB MET A2058 -43.301 19.908 9.170 1.00 0.00 C ATOM 101 CG MET A2058 -43.309 20.453 7.742 1.00 0.00 C ATOM 102 SD MET A2058 -44.032 22.098 7.654 1.00 0.00 S ATOM 103 CE MET A2058 -45.629 21.790 8.422 1.00 0.00 C ATOM 0 H MET A2058 -44.185 18.047 7.262 1.00 0.00 H new ATOM 0 HA MET A2058 -42.726 17.959 9.836 1.00 0.00 H new ATOM 0 HB2 MET A2058 -44.085 20.398 9.748 1.00 0.00 H new ATOM 0 HB3 MET A2058 -42.352 20.156 9.646 1.00 0.00 H new ATOM 0 HG2 MET A2058 -42.289 20.484 7.360 1.00 0.00 H new ATOM 0 HG3 MET A2058 -43.870 19.775 7.098 1.00 0.00 H new ATOM 0 HE1 MET A2058 -46.337 22.559 8.111 1.00 0.00 H new ATOM 0 HE2 MET A2058 -45.998 20.812 8.114 1.00 0.00 H new ATOM 0 HE3 MET A2058 -45.522 21.813 9.506 1.00 0.00 H new ATOM 113 N SER A2059 -44.919 16.970 10.564 1.00 0.00 N ATOM 114 CA SER A2059 -46.151 16.535 11.204 1.00 0.00 C ATOM 115 C SER A2059 -46.008 16.574 12.715 1.00 0.00 C ATOM 116 O SER A2059 -44.920 16.801 13.242 1.00 0.00 O ATOM 117 CB SER A2059 -46.503 15.131 10.748 1.00 0.00 C ATOM 118 OG SER A2059 -46.854 15.130 9.373 1.00 0.00 O ATOM 0 H SER A2059 -44.119 16.362 10.738 1.00 0.00 H new ATOM 0 HA SER A2059 -46.953 17.214 10.916 1.00 0.00 H new ATOM 0 HB2 SER A2059 -45.656 14.465 10.914 1.00 0.00 H new ATOM 0 HB3 SER A2059 -47.332 14.746 11.342 1.00 0.00 H new ATOM 0 HG SER A2059 -47.077 14.218 9.093 1.00 0.00 H new ATOM 124 N TYR A2060 -47.117 16.351 13.409 1.00 0.00 N ATOM 125 CA TYR A2060 -47.126 16.359 14.864 1.00 0.00 C ATOM 126 C TYR A2060 -46.083 15.388 15.397 1.00 0.00 C ATOM 127 O TYR A2060 -45.999 14.247 14.948 1.00 0.00 O ATOM 128 CB TYR A2060 -48.513 15.983 15.369 1.00 0.00 C ATOM 129 CG TYR A2060 -49.521 17.086 15.164 1.00 0.00 C ATOM 130 CD1 TYR A2060 -49.407 18.267 15.877 1.00 0.00 C ATOM 131 CD2 TYR A2060 -50.556 16.924 14.258 1.00 0.00 C ATOM 132 CE1 TYR A2060 -50.328 19.284 15.684 1.00 0.00 C ATOM 133 CE2 TYR A2060 -51.475 17.942 14.068 1.00 0.00 C ATOM 134 CZ TYR A2060 -51.357 19.116 14.781 1.00 0.00 C ATOM 135 OH TYR A2060 -52.269 20.128 14.589 1.00 0.00 O ATOM 0 H TYR A2060 -48.025 16.162 12.984 1.00 0.00 H new ATOM 0 HA TYR A2060 -46.880 17.359 15.221 1.00 0.00 H new ATOM 0 HB2 TYR A2060 -48.853 15.085 14.854 1.00 0.00 H new ATOM 0 HB3 TYR A2060 -48.456 15.740 16.430 1.00 0.00 H new ATOM 0 HD1 TYR A2060 -48.600 18.396 16.584 1.00 0.00 H new ATOM 0 HD2 TYR A2060 -50.646 16.004 13.700 1.00 0.00 H new ATOM 0 HE1 TYR A2060 -50.240 20.206 16.239 1.00 0.00 H new ATOM 0 HE2 TYR A2060 -52.283 17.817 13.362 1.00 0.00 H new ATOM 0 HH TYR A2060 -52.929 19.851 13.920 1.00 0.00 H new ATOM 145 N CYS A2061 -45.280 15.851 16.349 1.00 0.00 N ATOM 146 CA CYS A2061 -44.227 15.030 16.933 1.00 0.00 C ATOM 147 C CYS A2061 -44.537 14.729 18.396 1.00 0.00 C ATOM 148 O CYS A2061 -44.675 15.640 19.206 1.00 0.00 O ATOM 149 CB CYS A2061 -42.898 15.762 16.794 1.00 0.00 C ATOM 150 SG CYS A2061 -42.658 16.356 15.110 1.00 0.00 S ATOM 0 H CYS A2061 -45.339 16.794 16.733 1.00 0.00 H new ATOM 0 HA CYS A2061 -44.167 14.077 16.407 1.00 0.00 H new ATOM 0 HB2 CYS A2061 -42.868 16.603 17.487 1.00 0.00 H new ATOM 0 HB3 CYS A2061 -42.081 15.094 17.067 1.00 0.00 H new ATOM 155 N TYR A2062 -44.656 13.444 18.729 1.00 0.00 N ATOM 156 CA TYR A2062 -44.968 13.036 20.097 1.00 0.00 C ATOM 157 C TYR A2062 -43.701 12.775 20.887 1.00 0.00 C ATOM 158 O TYR A2062 -42.643 12.492 20.322 1.00 0.00 O ATOM 159 CB TYR A2062 -45.831 11.784 20.091 1.00 0.00 C ATOM 160 CG TYR A2062 -47.176 12.001 19.445 1.00 0.00 C ATOM 161 CD1 TYR A2062 -48.230 12.499 20.192 1.00 0.00 C ATOM 162 CD2 TYR A2062 -47.359 11.706 18.106 1.00 0.00 C ATOM 163 CE1 TYR A2062 -49.466 12.700 19.600 1.00 0.00 C ATOM 164 CE2 TYR A2062 -48.596 11.908 17.514 1.00 0.00 C ATOM 165 CZ TYR A2062 -49.642 12.404 18.264 1.00 0.00 C ATOM 166 OH TYR A2062 -50.870 12.606 17.676 1.00 0.00 O ATOM 0 H TYR A2062 -44.542 12.671 18.073 1.00 0.00 H new ATOM 0 HA TYR A2062 -45.515 13.850 20.573 1.00 0.00 H new ATOM 0 HB2 TYR A2062 -45.304 10.989 19.564 1.00 0.00 H new ATOM 0 HB3 TYR A2062 -45.977 11.444 21.116 1.00 0.00 H new ATOM 0 HD1 TYR A2062 -48.088 12.731 21.237 1.00 0.00 H new ATOM 0 HD2 TYR A2062 -46.538 11.318 17.522 1.00 0.00 H new ATOM 0 HE1 TYR A2062 -50.289 13.087 20.182 1.00 0.00 H new ATOM 0 HE2 TYR A2062 -48.740 11.678 16.469 1.00 0.00 H new ATOM 0 HH TYR A2062 -50.880 12.190 16.789 1.00 0.00 H new ATOM 176 N ALA A2063 -43.818 12.883 22.202 1.00 0.00 N ATOM 177 CA ALA A2063 -42.690 12.672 23.093 1.00 0.00 C ATOM 178 C ALA A2063 -42.733 11.292 23.742 1.00 0.00 C ATOM 179 O ALA A2063 -41.727 10.825 24.275 1.00 0.00 O ATOM 180 CB ALA A2063 -42.701 13.751 24.162 1.00 0.00 C ATOM 0 H ALA A2063 -44.690 13.117 22.677 1.00 0.00 H new ATOM 0 HA ALA A2063 -41.771 12.727 22.509 1.00 0.00 H new ATOM 0 HB1 ALA A2063 -41.858 13.603 24.837 1.00 0.00 H new ATOM 0 HB2 ALA A2063 -42.621 14.731 23.691 1.00 0.00 H new ATOM 0 HB3 ALA A2063 -43.632 13.695 24.726 1.00 0.00 H new ATOM 186 N LYS A2064 -43.897 10.641 23.716 1.00 0.00 N ATOM 187 CA LYS A2064 -44.032 9.318 24.328 1.00 0.00 C ATOM 188 C LYS A2064 -44.978 8.426 23.538 1.00 0.00 C ATOM 189 O LYS A2064 -46.151 8.737 23.375 1.00 0.00 O ATOM 190 CB LYS A2064 -44.541 9.460 25.754 1.00 0.00 C ATOM 191 CG LYS A2064 -45.784 10.337 25.810 1.00 0.00 C ATOM 192 CD LYS A2064 -45.902 11.034 27.161 1.00 0.00 C ATOM 193 CE LYS A2064 -46.455 10.086 28.222 1.00 0.00 C ATOM 194 NZ LYS A2064 -45.356 9.424 28.981 1.00 0.00 N ATOM 0 H LYS A2064 -44.748 11.001 23.285 1.00 0.00 H new ATOM 0 HA LYS A2064 -43.048 8.850 24.328 1.00 0.00 H new ATOM 0 HB2 LYS A2064 -44.769 8.475 26.161 1.00 0.00 H new ATOM 0 HB3 LYS A2064 -43.760 9.891 26.380 1.00 0.00 H new ATOM 0 HG2 LYS A2064 -45.744 11.082 25.015 1.00 0.00 H new ATOM 0 HG3 LYS A2064 -46.671 9.729 25.632 1.00 0.00 H new ATOM 0 HD2 LYS A2064 -44.924 11.401 27.471 1.00 0.00 H new ATOM 0 HD3 LYS A2064 -46.554 11.903 27.070 1.00 0.00 H new ATOM 0 HE2 LYS A2064 -47.093 10.640 28.910 1.00 0.00 H new ATOM 0 HE3 LYS A2064 -47.079 9.329 27.747 1.00 0.00 H new ATOM 0 HZ1 LYS A2064 -45.579 8.416 29.106 1.00 0.00 H new ATOM 0 HZ2 LYS A2064 -44.464 9.518 28.454 1.00 0.00 H new ATOM 0 HZ3 LYS A2064 -45.257 9.875 29.913 1.00 0.00 H new ATOM 208 N PHE A2065 -44.464 7.298 23.073 1.00 0.00 N ATOM 209 CA PHE A2065 -45.260 6.341 22.317 1.00 0.00 C ATOM 210 C PHE A2065 -45.477 5.090 23.164 1.00 0.00 C ATOM 211 O PHE A2065 -44.519 4.398 23.510 1.00 0.00 O ATOM 212 CB PHE A2065 -44.531 5.984 21.022 1.00 0.00 C ATOM 213 CG PHE A2065 -45.221 4.907 20.223 1.00 0.00 C ATOM 214 CD1 PHE A2065 -46.437 5.165 19.616 1.00 0.00 C ATOM 215 CD2 PHE A2065 -44.633 3.659 20.090 1.00 0.00 C ATOM 216 CE1 PHE A2065 -47.068 4.177 18.880 1.00 0.00 C ATOM 217 CE2 PHE A2065 -45.263 2.671 19.352 1.00 0.00 C ATOM 218 CZ PHE A2065 -46.480 2.931 18.745 1.00 0.00 C ATOM 0 H PHE A2065 -43.492 7.021 23.207 1.00 0.00 H new ATOM 0 HA PHE A2065 -46.228 6.776 22.068 1.00 0.00 H new ATOM 0 HB2 PHE A2065 -44.439 6.879 20.407 1.00 0.00 H new ATOM 0 HB3 PHE A2065 -43.519 5.656 21.262 1.00 0.00 H new ATOM 0 HD1 PHE A2065 -46.894 6.138 19.716 1.00 0.00 H new ATOM 0 HD2 PHE A2065 -43.683 3.457 20.562 1.00 0.00 H new ATOM 0 HE1 PHE A2065 -48.020 4.378 18.411 1.00 0.00 H new ATOM 0 HE2 PHE A2065 -44.805 1.698 19.250 1.00 0.00 H new ATOM 0 HZ PHE A2065 -46.970 2.162 18.166 1.00 0.00 H new ATOM 228 N GLU A2066 -46.728 4.813 23.521 1.00 0.00 N ATOM 229 CA GLU A2066 -47.044 3.659 24.355 1.00 0.00 C ATOM 230 C GLU A2066 -47.202 2.394 23.520 1.00 0.00 C ATOM 231 O GLU A2066 -48.233 1.725 23.586 1.00 0.00 O ATOM 232 CB GLU A2066 -48.321 3.929 25.136 1.00 0.00 C ATOM 233 CG GLU A2066 -48.096 4.991 26.210 1.00 0.00 C ATOM 234 CD GLU A2066 -48.388 4.417 27.589 1.00 0.00 C ATOM 235 OE1 GLU A2066 -47.944 3.283 27.868 1.00 0.00 O ATOM 236 OE2 GLU A2066 -49.060 5.101 28.388 1.00 0.00 O ATOM 0 H GLU A2066 -47.537 5.370 23.246 1.00 0.00 H new ATOM 0 HA GLU A2066 -46.216 3.501 25.046 1.00 0.00 H new ATOM 0 HB2 GLU A2066 -49.105 4.258 24.454 1.00 0.00 H new ATOM 0 HB3 GLU A2066 -48.669 3.006 25.600 1.00 0.00 H new ATOM 0 HG2 GLU A2066 -47.067 5.349 26.168 1.00 0.00 H new ATOM 0 HG3 GLU A2066 -48.740 5.850 26.022 1.00 0.00 H new ATOM 243 N GLY A2067 -46.169 2.065 22.750 1.00 0.00 N ATOM 244 CA GLY A2067 -46.181 0.869 21.910 1.00 0.00 C ATOM 245 C GLY A2067 -47.585 0.562 21.411 1.00 0.00 C ATOM 246 O GLY A2067 -47.958 -0.601 21.252 1.00 0.00 O ATOM 0 H GLY A2067 -45.310 2.611 22.690 1.00 0.00 H new ATOM 0 HA2 GLY A2067 -45.513 1.011 21.060 1.00 0.00 H new ATOM 0 HA3 GLY A2067 -45.800 0.020 22.477 1.00 0.00 H new ATOM 250 N GLY A2068 -48.359 1.610 21.168 1.00 0.00 N ATOM 251 CA GLY A2068 -49.727 1.459 20.690 1.00 0.00 C ATOM 252 C GLY A2068 -50.332 2.818 20.382 1.00 0.00 C ATOM 253 O GLY A2068 -51.097 2.968 19.430 1.00 0.00 O ATOM 0 H GLY A2068 -48.062 2.578 21.294 1.00 0.00 H new ATOM 0 HA2 GLY A2068 -49.740 0.837 19.795 1.00 0.00 H new ATOM 0 HA3 GLY A2068 -50.328 0.948 21.442 1.00 0.00 H new ATOM 257 N LYS A2069 -49.975 3.812 21.188 1.00 0.00 N ATOM 258 CA LYS A2069 -50.474 5.166 20.997 1.00 0.00 C ATOM 259 C LYS A2069 -49.349 6.159 21.236 1.00 0.00 C ATOM 260 O LYS A2069 -48.190 5.770 21.344 1.00 0.00 O ATOM 261 CB LYS A2069 -51.646 5.432 21.941 1.00 0.00 C ATOM 262 CG LYS A2069 -51.180 5.939 23.305 1.00 0.00 C ATOM 263 CD LYS A2069 -52.328 5.949 24.309 1.00 0.00 C ATOM 264 CE LYS A2069 -53.089 4.628 24.290 1.00 0.00 C ATOM 265 NZ LYS A2069 -53.905 4.456 25.525 1.00 0.00 N ATOM 0 H LYS A2069 -49.341 3.704 21.980 1.00 0.00 H new ATOM 0 HA LYS A2069 -50.831 5.282 19.974 1.00 0.00 H new ATOM 0 HB2 LYS A2069 -52.315 6.166 21.491 1.00 0.00 H new ATOM 0 HB3 LYS A2069 -52.221 4.515 22.072 1.00 0.00 H new ATOM 0 HG2 LYS A2069 -50.374 5.306 23.676 1.00 0.00 H new ATOM 0 HG3 LYS A2069 -50.773 6.945 23.203 1.00 0.00 H new ATOM 0 HD2 LYS A2069 -51.937 6.132 25.310 1.00 0.00 H new ATOM 0 HD3 LYS A2069 -53.010 6.768 24.078 1.00 0.00 H new ATOM 0 HE2 LYS A2069 -53.738 4.592 23.415 1.00 0.00 H new ATOM 0 HE3 LYS A2069 -52.385 3.801 24.199 1.00 0.00 H new ATOM 0 HZ1 LYS A2069 -54.411 3.548 25.483 1.00 0.00 H new ATOM 0 HZ2 LYS A2069 -53.282 4.467 26.357 1.00 0.00 H new ATOM 0 HZ3 LYS A2069 -54.593 5.233 25.598 1.00 0.00 H new ATOM 279 N CYS A2070 -49.683 7.436 21.317 1.00 0.00 N ATOM 280 CA CYS A2070 -48.672 8.458 21.543 1.00 0.00 C ATOM 281 C CYS A2070 -49.184 9.520 22.502 1.00 0.00 C ATOM 282 O CYS A2070 -50.382 9.603 22.772 1.00 0.00 O ATOM 283 CB CYS A2070 -48.278 9.101 20.218 1.00 0.00 C ATOM 284 SG CYS A2070 -46.539 8.854 19.833 1.00 0.00 S ATOM 0 H CYS A2070 -50.636 7.789 21.231 1.00 0.00 H new ATOM 0 HA CYS A2070 -47.797 7.985 21.988 1.00 0.00 H new ATOM 0 HB2 CYS A2070 -48.888 8.683 19.418 1.00 0.00 H new ATOM 0 HB3 CYS A2070 -48.492 10.169 20.257 1.00 0.00 H new ATOM 289 N SER A2071 -48.266 10.333 23.011 1.00 0.00 N ATOM 290 CA SER A2071 -48.622 11.397 23.944 1.00 0.00 C ATOM 291 C SER A2071 -47.576 12.505 23.922 1.00 0.00 C ATOM 292 O SER A2071 -46.441 12.294 23.496 1.00 0.00 O ATOM 293 CB SER A2071 -48.745 10.833 25.353 1.00 0.00 C ATOM 294 OG SER A2071 -50.063 11.020 25.848 1.00 0.00 O ATOM 0 H SER A2071 -47.271 10.277 22.794 1.00 0.00 H new ATOM 0 HA SER A2071 -49.580 11.817 23.638 1.00 0.00 H new ATOM 0 HB2 SER A2071 -48.498 9.771 25.349 1.00 0.00 H new ATOM 0 HB3 SER A2071 -48.029 11.324 26.012 1.00 0.00 H new ATOM 0 HG SER A2071 -50.128 10.651 26.754 1.00 0.00 H new ATOM 300 N SER A2072 -47.969 13.687 24.388 1.00 0.00 N ATOM 301 CA SER A2072 -47.068 14.834 24.432 1.00 0.00 C ATOM 302 C SER A2072 -46.760 15.326 23.024 1.00 0.00 C ATOM 303 O SER A2072 -45.605 15.342 22.599 1.00 0.00 O ATOM 304 CB SER A2072 -45.776 14.453 25.143 1.00 0.00 C ATOM 305 OG SER A2072 -45.132 15.612 25.652 1.00 0.00 O ATOM 0 H SER A2072 -48.907 13.876 24.741 1.00 0.00 H new ATOM 0 HA SER A2072 -47.556 15.638 24.982 1.00 0.00 H new ATOM 0 HB2 SER A2072 -45.992 13.761 25.957 1.00 0.00 H new ATOM 0 HB3 SER A2072 -45.112 13.934 24.452 1.00 0.00 H new ATOM 0 HG SER A2072 -44.304 15.353 26.108 1.00 0.00 H new ATOM 311 N PRO A2073 -47.799 15.733 22.283 1.00 0.00 N ATOM 312 CA PRO A2073 -47.654 16.231 20.914 1.00 0.00 C ATOM 313 C PRO A2073 -47.306 17.714 20.881 1.00 0.00 C ATOM 314 O PRO A2073 -48.078 18.553 21.347 1.00 0.00 O ATOM 315 CB PRO A2073 -49.026 15.982 20.306 1.00 0.00 C ATOM 316 CG PRO A2073 -49.986 16.026 21.452 1.00 0.00 C ATOM 317 CD PRO A2073 -49.203 15.738 22.715 1.00 0.00 C ATOM 0 HA PRO A2073 -46.844 15.739 20.375 1.00 0.00 H new ATOM 0 HB2 PRO A2073 -49.269 16.740 19.562 1.00 0.00 H new ATOM 0 HB3 PRO A2073 -49.062 15.017 19.801 1.00 0.00 H new ATOM 0 HG2 PRO A2073 -50.465 17.003 21.513 1.00 0.00 H new ATOM 0 HG3 PRO A2073 -50.778 15.290 21.316 1.00 0.00 H new ATOM 0 HD2 PRO A2073 -49.382 16.498 23.475 1.00 0.00 H new ATOM 0 HD3 PRO A2073 -49.488 14.780 23.149 1.00 0.00 H new ATOM 325 N LYS A2074 -46.138 18.032 20.331 1.00 0.00 N ATOM 326 CA LYS A2074 -45.688 19.418 20.245 1.00 0.00 C ATOM 327 C LYS A2074 -46.833 20.332 19.823 1.00 0.00 C ATOM 328 O LYS A2074 -47.638 19.979 18.962 1.00 0.00 O ATOM 329 CB LYS A2074 -44.540 19.540 19.248 1.00 0.00 C ATOM 330 CG LYS A2074 -43.485 18.458 19.470 1.00 0.00 C ATOM 331 CD LYS A2074 -43.262 18.195 20.957 1.00 0.00 C ATOM 332 CE LYS A2074 -43.084 19.497 21.732 1.00 0.00 C ATOM 333 NZ LYS A2074 -41.675 19.670 22.188 1.00 0.00 N ATOM 0 H LYS A2074 -45.487 17.351 19.939 1.00 0.00 H new ATOM 0 HA LYS A2074 -45.341 19.724 21.232 1.00 0.00 H new ATOM 0 HB2 LYS A2074 -44.930 19.466 18.233 1.00 0.00 H new ATOM 0 HB3 LYS A2074 -44.079 20.523 19.342 1.00 0.00 H new ATOM 0 HG2 LYS A2074 -43.798 17.537 18.979 1.00 0.00 H new ATOM 0 HG3 LYS A2074 -42.546 18.763 19.008 1.00 0.00 H new ATOM 0 HD2 LYS A2074 -44.110 17.642 21.361 1.00 0.00 H new ATOM 0 HD3 LYS A2074 -42.380 17.568 21.089 1.00 0.00 H new ATOM 0 HE2 LYS A2074 -43.370 20.339 21.102 1.00 0.00 H new ATOM 0 HE3 LYS A2074 -43.751 19.503 22.594 1.00 0.00 H new ATOM 0 HZ1 LYS A2074 -41.587 20.564 22.712 1.00 0.00 H new ATOM 0 HZ2 LYS A2074 -41.411 18.878 22.808 1.00 0.00 H new ATOM 0 HZ3 LYS A2074 -41.043 19.688 21.362 1.00 0.00 H new ATOM 347 N SER A2075 -46.894 21.511 20.435 1.00 0.00 N ATOM 348 CA SER A2075 -47.938 22.483 20.125 1.00 0.00 C ATOM 349 C SER A2075 -48.220 22.496 18.629 1.00 0.00 C ATOM 350 O SER A2075 -49.372 22.597 18.207 1.00 0.00 O ATOM 351 CB SER A2075 -47.507 23.872 20.584 1.00 0.00 C ATOM 352 OG SER A2075 -47.663 23.999 21.989 1.00 0.00 O ATOM 0 H SER A2075 -46.233 21.817 21.149 1.00 0.00 H new ATOM 0 HA SER A2075 -48.849 22.199 20.651 1.00 0.00 H new ATOM 0 HB2 SER A2075 -46.466 24.046 20.310 1.00 0.00 H new ATOM 0 HB3 SER A2075 -48.102 24.631 20.076 1.00 0.00 H new ATOM 0 HG SER A2075 -47.381 24.895 22.270 1.00 0.00 H new ATOM 358 N ARG A2076 -47.161 22.388 17.833 1.00 0.00 N ATOM 359 CA ARG A2076 -47.293 22.381 16.381 1.00 0.00 C ATOM 360 C ARG A2076 -46.534 21.200 15.794 1.00 0.00 C ATOM 361 O ARG A2076 -46.194 20.254 16.505 1.00 0.00 O ATOM 362 CB ARG A2076 -46.759 23.688 15.797 1.00 0.00 C ATOM 363 CG ARG A2076 -45.236 23.739 15.856 1.00 0.00 C ATOM 364 CD ARG A2076 -44.750 25.006 16.554 1.00 0.00 C ATOM 365 NE ARG A2076 -43.508 25.472 15.946 1.00 0.00 N ATOM 366 CZ ARG A2076 -42.725 26.360 16.549 1.00 0.00 C ATOM 367 NH1 ARG A2076 -42.014 26.006 17.612 1.00 0.00 N ATOM 368 NH2 ARG A2076 -42.650 27.602 16.090 1.00 0.00 N ATOM 0 H ARG A2076 -46.202 22.304 18.169 1.00 0.00 H new ATOM 0 HA ARG A2076 -48.348 22.286 16.125 1.00 0.00 H new ATOM 0 HB2 ARG A2076 -47.089 23.788 14.763 1.00 0.00 H new ATOM 0 HB3 ARG A2076 -47.175 24.532 16.348 1.00 0.00 H new ATOM 0 HG2 ARG A2076 -44.861 22.863 16.385 1.00 0.00 H new ATOM 0 HG3 ARG A2076 -44.829 23.699 14.846 1.00 0.00 H new ATOM 0 HD2 ARG A2076 -45.511 25.783 16.484 1.00 0.00 H new ATOM 0 HD3 ARG A2076 -44.592 24.808 17.614 1.00 0.00 H new ATOM 0 HE ARG A2076 -43.234 25.106 15.034 1.00 0.00 H new ATOM 0 HH11 ARG A2076 -42.068 25.051 17.967 1.00 0.00 H new ATOM 0 HH12 ARG A2076 -41.413 26.689 18.074 1.00 0.00 H new ATOM 0 HH21 ARG A2076 -43.194 27.877 15.272 1.00 0.00 H new ATOM 0 HH22 ARG A2076 -42.048 28.282 16.555 1.00 0.00 H new ATOM 382 N ASN A2077 -46.276 21.252 14.492 1.00 0.00 N ATOM 383 CA ASN A2077 -45.566 20.179 13.814 1.00 0.00 C ATOM 384 C ASN A2077 -44.083 20.509 13.678 1.00 0.00 C ATOM 385 O ASN A2077 -43.679 21.669 13.748 1.00 0.00 O ATOM 386 CB ASN A2077 -46.172 19.936 12.433 1.00 0.00 C ATOM 387 CG ASN A2077 -47.598 20.473 12.362 1.00 0.00 C ATOM 388 OD1 ASN A2077 -48.482 20.014 13.085 1.00 0.00 O ATOM 389 ND2 ASN A2077 -47.820 21.448 11.489 1.00 0.00 N ATOM 0 H ASN A2077 -46.549 22.026 13.887 1.00 0.00 H new ATOM 0 HA ASN A2077 -45.665 19.274 14.414 1.00 0.00 H new ATOM 0 HB2 ASN A2077 -45.559 20.419 11.672 1.00 0.00 H new ATOM 0 HB3 ASN A2077 -46.170 18.868 12.213 1.00 0.00 H new ATOM 0 HD21 ASN A2077 -48.754 21.848 11.397 1.00 0.00 H new ATOM 0 HD22 ASN A2077 -47.057 21.798 10.910 1.00 0.00 H new ATOM 396 N HIS A2078 -43.286 19.468 13.478 1.00 0.00 N ATOM 397 CA HIS A2078 -41.841 19.596 13.318 1.00 0.00 C ATOM 398 C HIS A2078 -41.346 18.476 12.426 1.00 0.00 C ATOM 399 O HIS A2078 -41.846 17.357 12.503 1.00 0.00 O ATOM 400 CB HIS A2078 -41.148 19.510 14.677 1.00 0.00 C ATOM 401 CG HIS A2078 -41.901 20.220 15.760 1.00 0.00 C ATOM 402 ND1 HIS A2078 -41.551 21.461 16.225 1.00 0.00 N ATOM 403 CD2 HIS A2078 -42.996 19.871 16.483 1.00 0.00 C ATOM 404 CE1 HIS A2078 -42.369 21.858 17.171 1.00 0.00 C ATOM 405 NE2 HIS A2078 -43.270 20.908 17.356 1.00 0.00 N ATOM 0 H HIS A2078 -43.623 18.507 13.422 1.00 0.00 H new ATOM 0 HA HIS A2078 -41.611 20.562 12.869 1.00 0.00 H new ATOM 0 HB2 HIS A2078 -41.027 18.462 14.952 1.00 0.00 H new ATOM 0 HB3 HIS A2078 -40.148 19.936 14.597 1.00 0.00 H new ATOM 0 HD1 HIS A2078 -40.759 22.004 15.881 1.00 0.00 H new ATOM 0 HD2 HIS A2078 -43.553 18.950 16.393 1.00 0.00 H new ATOM 0 HE1 HIS A2078 -42.316 22.795 17.705 1.00 0.00 H new ATOM 413 N SER A2079 -40.361 18.759 11.588 1.00 0.00 N ATOM 414 CA SER A2079 -39.825 17.728 10.716 1.00 0.00 C ATOM 415 C SER A2079 -39.414 16.557 11.561 1.00 0.00 C ATOM 416 O SER A2079 -38.952 16.722 12.681 1.00 0.00 O ATOM 417 CB SER A2079 -38.640 18.249 9.916 1.00 0.00 C ATOM 418 OG SER A2079 -38.727 19.659 9.764 1.00 0.00 O ATOM 0 H SER A2079 -39.924 19.676 11.494 1.00 0.00 H new ATOM 0 HA SER A2079 -40.590 17.423 10.002 1.00 0.00 H new ATOM 0 HB2 SER A2079 -37.710 17.988 10.420 1.00 0.00 H new ATOM 0 HB3 SER A2079 -38.616 17.772 8.936 1.00 0.00 H new ATOM 0 HG SER A2079 -37.958 19.981 9.249 1.00 0.00 H new ATOM 424 N LYS A2080 -39.611 15.376 11.023 1.00 0.00 N ATOM 425 CA LYS A2080 -39.295 14.160 11.705 1.00 0.00 C ATOM 426 C LYS A2080 -37.937 14.212 12.373 1.00 0.00 C ATOM 427 O LYS A2080 -37.828 14.044 13.581 1.00 0.00 O ATOM 428 CB LYS A2080 -39.315 13.073 10.686 1.00 0.00 C ATOM 429 CG LYS A2080 -39.850 11.811 11.285 1.00 0.00 C ATOM 430 CD LYS A2080 -40.054 10.786 10.201 1.00 0.00 C ATOM 431 CE LYS A2080 -38.877 9.822 10.136 1.00 0.00 C ATOM 432 NZ LYS A2080 -38.798 8.977 11.362 1.00 0.00 N ATOM 0 H LYS A2080 -39.999 15.240 10.090 1.00 0.00 H new ATOM 0 HA LYS A2080 -40.024 13.989 12.497 1.00 0.00 H new ATOM 0 HB2 LYS A2080 -39.932 13.371 9.838 1.00 0.00 H new ATOM 0 HB3 LYS A2080 -38.308 12.904 10.304 1.00 0.00 H new ATOM 0 HG2 LYS A2080 -39.157 11.430 12.035 1.00 0.00 H new ATOM 0 HG3 LYS A2080 -40.793 12.009 11.795 1.00 0.00 H new ATOM 0 HD2 LYS A2080 -40.974 10.231 10.388 1.00 0.00 H new ATOM 0 HD3 LYS A2080 -40.173 11.286 9.240 1.00 0.00 H new ATOM 0 HE2 LYS A2080 -38.976 9.184 9.258 1.00 0.00 H new ATOM 0 HE3 LYS A2080 -37.950 10.384 10.019 1.00 0.00 H new ATOM 0 HZ1 LYS A2080 -38.348 8.069 11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A2080 -38.234 9.467 12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A2080 -39.756 8.805 11.728 1.00 0.00 H new ATOM 446 N GLN A2081 -36.900 14.422 11.584 1.00 0.00 N ATOM 447 CA GLN A2081 -35.553 14.475 12.117 1.00 0.00 C ATOM 448 C GLN A2081 -35.474 15.524 13.219 1.00 0.00 C ATOM 449 O GLN A2081 -34.661 15.419 14.130 1.00 0.00 O ATOM 450 CB GLN A2081 -34.571 14.785 10.995 1.00 0.00 C ATOM 451 CG GLN A2081 -34.882 13.950 9.753 1.00 0.00 C ATOM 452 CD GLN A2081 -33.609 13.312 9.210 1.00 0.00 C ATOM 453 OE1 GLN A2081 -33.644 12.214 8.653 1.00 0.00 O ATOM 454 NE2 GLN A2081 -32.483 13.998 9.371 1.00 0.00 N ATOM 0 H GLN A2081 -36.965 14.558 10.575 1.00 0.00 H new ATOM 0 HA GLN A2081 -35.290 13.509 12.547 1.00 0.00 H new ATOM 0 HB2 GLN A2081 -34.619 15.845 10.747 1.00 0.00 H new ATOM 0 HB3 GLN A2081 -33.554 14.582 11.330 1.00 0.00 H new ATOM 0 HG2 GLN A2081 -35.608 13.175 10.000 1.00 0.00 H new ATOM 0 HG3 GLN A2081 -35.336 14.580 8.988 1.00 0.00 H new ATOM 0 HE21 GLN A2081 -32.500 14.904 9.839 1.00 0.00 H new ATOM 0 HE22 GLN A2081 -31.601 13.618 9.027 1.00 0.00 H new ATOM 463 N GLU A2082 -36.336 16.532 13.141 1.00 0.00 N ATOM 464 CA GLU A2082 -36.365 17.590 14.141 1.00 0.00 C ATOM 465 C GLU A2082 -37.006 17.089 15.423 1.00 0.00 C ATOM 466 O GLU A2082 -36.665 17.534 16.516 1.00 0.00 O ATOM 467 CB GLU A2082 -37.159 18.785 13.610 1.00 0.00 C ATOM 468 CG GLU A2082 -37.088 19.970 14.567 1.00 0.00 C ATOM 469 CD GLU A2082 -37.907 21.134 14.028 1.00 0.00 C ATOM 470 OE1 GLU A2082 -38.234 21.122 12.822 1.00 0.00 O ATOM 471 OE2 GLU A2082 -38.220 22.056 14.810 1.00 0.00 O ATOM 0 H GLU A2082 -37.024 16.638 12.395 1.00 0.00 H new ATOM 0 HA GLU A2082 -35.340 17.896 14.352 1.00 0.00 H new ATOM 0 HB2 GLU A2082 -36.769 19.079 12.635 1.00 0.00 H new ATOM 0 HB3 GLU A2082 -38.200 18.496 13.463 1.00 0.00 H new ATOM 0 HG2 GLU A2082 -37.462 19.677 15.548 1.00 0.00 H new ATOM 0 HG3 GLU A2082 -36.051 20.277 14.700 1.00 0.00 H new ATOM 478 N CYS A2083 -37.956 16.180 15.276 1.00 0.00 N ATOM 479 CA CYS A2083 -38.685 15.630 16.407 1.00 0.00 C ATOM 480 C CYS A2083 -37.874 14.589 17.173 1.00 0.00 C ATOM 481 O CYS A2083 -37.692 14.706 18.385 1.00 0.00 O ATOM 482 CB CYS A2083 -39.973 15.015 15.892 1.00 0.00 C ATOM 483 SG CYS A2083 -40.714 16.047 14.616 1.00 0.00 S ATOM 0 H CYS A2083 -38.243 15.804 14.372 1.00 0.00 H new ATOM 0 HA CYS A2083 -38.895 16.438 17.108 1.00 0.00 H new ATOM 0 HB2 CYS A2083 -39.771 14.022 15.490 1.00 0.00 H new ATOM 0 HB3 CYS A2083 -40.675 14.889 16.716 1.00 0.00 H new ATOM 488 N CYS A2084 -37.425 13.554 16.477 1.00 0.00 N ATOM 489 CA CYS A2084 -36.680 12.476 17.108 1.00 0.00 C ATOM 490 C CYS A2084 -35.201 12.813 17.299 1.00 0.00 C ATOM 491 O CYS A2084 -34.480 12.069 17.962 1.00 0.00 O ATOM 492 CB CYS A2084 -36.837 11.213 16.278 1.00 0.00 C ATOM 493 SG CYS A2084 -38.480 11.092 15.548 1.00 0.00 S ATOM 0 H CYS A2084 -37.565 13.439 15.473 1.00 0.00 H new ATOM 0 HA CYS A2084 -37.091 12.324 18.106 1.00 0.00 H new ATOM 0 HB2 CYS A2084 -36.086 11.202 15.488 1.00 0.00 H new ATOM 0 HB3 CYS A2084 -36.653 10.341 16.905 1.00 0.00 H new ATOM 498 N CYS A2085 -34.737 13.919 16.721 1.00 0.00 N ATOM 499 CA CYS A2085 -33.327 14.298 16.855 1.00 0.00 C ATOM 500 C CYS A2085 -33.141 15.523 17.745 1.00 0.00 C ATOM 501 O CYS A2085 -32.411 15.471 18.735 1.00 0.00 O ATOM 502 CB CYS A2085 -32.732 14.574 15.485 1.00 0.00 C ATOM 503 SG CYS A2085 -30.972 14.202 15.410 1.00 0.00 S ATOM 0 H CYS A2085 -35.303 14.560 16.165 1.00 0.00 H new ATOM 0 HA CYS A2085 -32.811 13.462 17.327 1.00 0.00 H new ATOM 0 HB2 CYS A2085 -33.258 13.980 14.738 1.00 0.00 H new ATOM 0 HB3 CYS A2085 -32.890 15.621 15.228 1.00 0.00 H new ATOM 508 N ALA A2086 -33.775 16.634 17.380 1.00 0.00 N ATOM 509 CA ALA A2086 -33.643 17.873 18.141 1.00 0.00 C ATOM 510 C ALA A2086 -34.700 17.965 19.229 1.00 0.00 C ATOM 511 O ALA A2086 -34.573 18.759 20.160 1.00 0.00 O ATOM 512 CB ALA A2086 -33.761 19.066 17.201 1.00 0.00 C ATOM 0 H ALA A2086 -34.384 16.702 16.564 1.00 0.00 H new ATOM 0 HA ALA A2086 -32.664 17.879 18.620 1.00 0.00 H new ATOM 0 HB1 ALA A2086 -33.662 19.990 17.771 1.00 0.00 H new ATOM 0 HB2 ALA A2086 -32.972 19.017 16.450 1.00 0.00 H new ATOM 0 HB3 ALA A2086 -34.733 19.046 16.708 1.00 0.00 H new ATOM 518 N LEU A2087 -35.742 17.152 19.114 1.00 0.00 N ATOM 519 CA LEU A2087 -36.812 17.157 20.107 1.00 0.00 C ATOM 520 C LEU A2087 -36.879 15.819 20.829 1.00 0.00 C ATOM 521 O LEU A2087 -37.663 15.646 21.762 1.00 0.00 O ATOM 522 CB LEU A2087 -38.144 17.468 19.439 1.00 0.00 C ATOM 523 CG LEU A2087 -38.034 18.724 18.584 1.00 0.00 C ATOM 524 CD1 LEU A2087 -39.080 18.725 17.472 1.00 0.00 C ATOM 525 CD2 LEU A2087 -38.174 19.970 19.450 1.00 0.00 C ATOM 0 H LEU A2087 -35.870 16.486 18.352 1.00 0.00 H new ATOM 0 HA LEU A2087 -36.599 17.932 20.843 1.00 0.00 H new ATOM 0 HB2 LEU A2087 -38.452 16.626 18.820 1.00 0.00 H new ATOM 0 HB3 LEU A2087 -38.915 17.604 20.198 1.00 0.00 H new ATOM 0 HG LEU A2087 -37.048 18.731 18.118 1.00 0.00 H new ATOM 0 HD11 LEU A2087 -38.978 19.633 16.878 1.00 0.00 H new ATOM 0 HD12 LEU A2087 -38.932 17.854 16.833 1.00 0.00 H new ATOM 0 HD13 LEU A2087 -40.077 18.688 17.910 1.00 0.00 H new ATOM 0 HD21 LEU A2087 -38.093 20.859 18.824 1.00 0.00 H new ATOM 0 HD22 LEU A2087 -39.145 19.962 19.945 1.00 0.00 H new ATOM 0 HD23 LEU A2087 -37.384 19.982 20.201 1.00 0.00 H new ATOM 537 N LYS A2088 -36.041 14.877 20.399 1.00 0.00 N ATOM 538 CA LYS A2088 -35.988 13.551 21.003 1.00 0.00 C ATOM 539 C LYS A2088 -37.363 13.118 21.495 1.00 0.00 C ATOM 540 O LYS A2088 -37.611 13.064 22.699 1.00 0.00 O ATOM 541 CB LYS A2088 -35.001 13.554 22.167 1.00 0.00 C ATOM 542 CG LYS A2088 -33.784 14.420 21.858 1.00 0.00 C ATOM 543 CD LYS A2088 -32.609 14.063 22.762 1.00 0.00 C ATOM 544 CE LYS A2088 -32.797 14.635 24.164 1.00 0.00 C ATOM 545 NZ LYS A2088 -31.768 14.107 25.104 1.00 0.00 N ATOM 0 H LYS A2088 -35.386 15.011 19.629 1.00 0.00 H new ATOM 0 HA LYS A2088 -35.658 12.842 20.244 1.00 0.00 H new ATOM 0 HB2 LYS A2088 -35.495 13.924 23.065 1.00 0.00 H new ATOM 0 HB3 LYS A2088 -34.680 12.534 22.378 1.00 0.00 H new ATOM 0 HG2 LYS A2088 -33.497 14.289 20.815 1.00 0.00 H new ATOM 0 HG3 LYS A2088 -34.040 15.471 21.988 1.00 0.00 H new ATOM 0 HD2 LYS A2088 -32.507 12.979 22.819 1.00 0.00 H new ATOM 0 HD3 LYS A2088 -31.685 14.448 22.330 1.00 0.00 H new ATOM 0 HE2 LYS A2088 -32.736 15.723 24.127 1.00 0.00 H new ATOM 0 HE3 LYS A2088 -33.792 14.384 24.532 1.00 0.00 H new ATOM 0 HZ1 LYS A2088 -31.920 14.513 26.049 1.00 0.00 H new ATOM 0 HZ2 LYS A2088 -31.844 13.071 25.156 1.00 0.00 H new ATOM 0 HZ3 LYS A2088 -30.821 14.368 24.764 1.00 0.00 H new ATOM 559 N GLY A2089 -38.249 12.796 20.559 1.00 0.00 N ATOM 560 CA GLY A2089 -39.590 12.353 20.902 1.00 0.00 C ATOM 561 C GLY A2089 -39.657 10.837 20.846 1.00 0.00 C ATOM 562 O GLY A2089 -38.666 10.177 20.533 1.00 0.00 O ATOM 0 H GLY A2089 -38.060 12.834 19.557 1.00 0.00 H new ATOM 0 HA2 GLY A2089 -39.855 12.702 21.900 1.00 0.00 H new ATOM 0 HA3 GLY A2089 -40.314 12.785 20.211 1.00 0.00 H new ATOM 566 N GLU A2090 -40.820 10.284 21.147 1.00 0.00 N ATOM 567 CA GLU A2090 -40.996 8.841 21.126 1.00 0.00 C ATOM 568 C GLU A2090 -41.808 8.422 19.909 1.00 0.00 C ATOM 569 O GLU A2090 -41.845 7.244 19.554 1.00 0.00 O ATOM 570 CB GLU A2090 -41.692 8.384 22.400 1.00 0.00 C ATOM 571 CG GLU A2090 -41.267 6.969 22.782 1.00 0.00 C ATOM 572 CD GLU A2090 -41.254 6.814 24.297 1.00 0.00 C ATOM 573 OE1 GLU A2090 -40.511 7.562 24.966 1.00 0.00 O ATOM 574 OE2 GLU A2090 -41.990 5.946 24.813 1.00 0.00 O ATOM 0 H GLU A2090 -41.654 10.810 21.408 1.00 0.00 H new ATOM 0 HA GLU A2090 -40.015 8.371 21.068 1.00 0.00 H new ATOM 0 HB2 GLU A2090 -41.455 9.070 23.213 1.00 0.00 H new ATOM 0 HB3 GLU A2090 -42.772 8.417 22.260 1.00 0.00 H new ATOM 0 HG2 GLU A2090 -41.952 6.244 22.341 1.00 0.00 H new ATOM 0 HG3 GLU A2090 -40.276 6.758 22.379 1.00 0.00 H new ATOM 581 N GLY A2091 -42.455 9.390 19.267 1.00 0.00 N ATOM 582 CA GLY A2091 -43.260 9.105 18.086 1.00 0.00 C ATOM 583 C GLY A2091 -43.309 10.318 17.172 1.00 0.00 C ATOM 584 O GLY A2091 -42.867 11.404 17.545 1.00 0.00 O ATOM 0 H GLY A2091 -42.438 10.372 19.543 1.00 0.00 H new ATOM 0 HA2 GLY A2091 -42.841 8.254 17.549 1.00 0.00 H new ATOM 0 HA3 GLY A2091 -44.270 8.826 18.385 1.00 0.00 H new ATOM 588 N TRP A2092 -43.837 10.130 15.968 1.00 0.00 N ATOM 589 CA TRP A2092 -43.922 11.225 15.006 1.00 0.00 C ATOM 590 C TRP A2092 -45.163 11.126 14.130 1.00 0.00 C ATOM 591 O TRP A2092 -45.783 10.073 14.012 1.00 0.00 O ATOM 592 CB TRP A2092 -42.692 11.228 14.113 1.00 0.00 C ATOM 593 CG TRP A2092 -42.710 12.368 13.147 1.00 0.00 C ATOM 594 CD1 TRP A2092 -42.402 13.667 13.422 1.00 0.00 C ATOM 595 CD2 TRP A2092 -43.069 12.322 11.748 1.00 0.00 C ATOM 596 NE1 TRP A2092 -42.535 14.404 12.275 1.00 0.00 N ATOM 597 CE2 TRP A2092 -42.940 13.621 11.243 1.00 0.00 C ATOM 598 CE3 TRP A2092 -43.477 11.310 10.878 1.00 0.00 C ATOM 599 CZ2 TRP A2092 -43.206 13.929 9.922 1.00 0.00 C ATOM 600 CZ3 TRP A2092 -43.746 11.610 9.551 1.00 0.00 C ATOM 601 CH2 TRP A2092 -43.610 12.911 9.076 1.00 0.00 C ATOM 0 H TRP A2092 -44.209 9.240 15.636 1.00 0.00 H new ATOM 0 HA TRP A2092 -43.981 12.150 15.580 1.00 0.00 H new ATOM 0 HB2 TRP A2092 -41.795 11.288 14.730 1.00 0.00 H new ATOM 0 HB3 TRP A2092 -42.639 10.288 13.564 1.00 0.00 H new ATOM 0 HD1 TRP A2092 -42.102 14.052 14.386 1.00 0.00 H new ATOM 0 HE1 TRP A2092 -42.354 15.405 12.206 1.00 0.00 H new ATOM 0 HE3 TRP A2092 -43.583 10.297 11.237 1.00 0.00 H new ATOM 0 HZ2 TRP A2092 -43.101 14.941 9.559 1.00 0.00 H new ATOM 0 HZ3 TRP A2092 -44.064 10.826 8.880 1.00 0.00 H new ATOM 0 HH2 TRP A2092 -43.821 13.128 8.039 1.00 0.00 H new ATOM 612 N GLY A2093 -45.496 12.244 13.496 1.00 0.00 N ATOM 613 CA GLY A2093 -46.642 12.319 12.599 1.00 0.00 C ATOM 614 C GLY A2093 -47.952 12.376 13.364 1.00 0.00 C ATOM 615 O GLY A2093 -48.033 11.931 14.508 1.00 0.00 O ATOM 0 H GLY A2093 -44.982 13.120 13.589 1.00 0.00 H new ATOM 0 HA2 GLY A2093 -46.552 13.202 11.966 1.00 0.00 H new ATOM 0 HA3 GLY A2093 -46.644 11.452 11.938 1.00 0.00 H new ATOM 619 N ASP A2094 -48.989 12.902 12.714 1.00 0.00 N ATOM 620 CA ASP A2094 -50.302 12.979 13.337 1.00 0.00 C ATOM 621 C ASP A2094 -50.653 11.576 13.811 1.00 0.00 C ATOM 622 O ASP A2094 -51.013 11.368 14.969 1.00 0.00 O ATOM 623 CB ASP A2094 -51.332 13.549 12.345 1.00 0.00 C ATOM 624 CG ASP A2094 -52.348 12.496 11.904 1.00 0.00 C ATOM 625 OD1 ASP A2094 -53.023 11.916 12.781 1.00 0.00 O ATOM 626 OD2 ASP A2094 -52.464 12.254 10.684 1.00 0.00 O ATOM 0 H ASP A2094 -48.944 13.277 11.766 1.00 0.00 H new ATOM 0 HA ASP A2094 -50.305 13.657 14.191 1.00 0.00 H new ATOM 0 HB2 ASP A2094 -51.855 14.386 12.807 1.00 0.00 H new ATOM 0 HB3 ASP A2094 -50.814 13.941 11.470 1.00 0.00 H new ATOM 631 N PRO A2095 -50.467 10.583 12.925 1.00 0.00 N ATOM 632 CA PRO A2095 -50.671 9.180 13.245 1.00 0.00 C ATOM 633 C PRO A2095 -49.364 8.648 13.806 1.00 0.00 C ATOM 634 O PRO A2095 -48.610 7.962 13.117 1.00 0.00 O ATOM 635 CB PRO A2095 -50.997 8.544 11.898 1.00 0.00 C ATOM 636 CG PRO A2095 -50.453 9.478 10.854 1.00 0.00 C ATOM 637 CD PRO A2095 -49.965 10.729 11.556 1.00 0.00 C ATOM 0 HA PRO A2095 -51.455 8.983 13.976 1.00 0.00 H new ATOM 0 HB2 PRO A2095 -50.542 7.557 11.813 1.00 0.00 H new ATOM 0 HB3 PRO A2095 -52.072 8.411 11.780 1.00 0.00 H new ATOM 0 HG2 PRO A2095 -49.638 9.005 10.307 1.00 0.00 H new ATOM 0 HG3 PRO A2095 -51.224 9.726 10.125 1.00 0.00 H new ATOM 0 HD2 PRO A2095 -48.878 10.801 11.535 1.00 0.00 H new ATOM 0 HD3 PRO A2095 -50.353 11.630 11.082 1.00 0.00 H new ATOM 645 N CYS A2096 -49.073 9.051 15.038 1.00 0.00 N ATOM 646 CA CYS A2096 -47.819 8.709 15.698 1.00 0.00 C ATOM 647 C CYS A2096 -47.225 7.409 15.185 1.00 0.00 C ATOM 648 O CYS A2096 -47.901 6.389 15.055 1.00 0.00 O ATOM 649 CB CYS A2096 -48.015 8.610 17.203 1.00 0.00 C ATOM 650 SG CYS A2096 -46.558 7.948 18.028 1.00 0.00 S ATOM 0 H CYS A2096 -49.698 9.623 15.606 1.00 0.00 H new ATOM 0 HA CYS A2096 -47.120 9.512 15.465 1.00 0.00 H new ATOM 0 HB2 CYS A2096 -48.243 9.597 17.605 1.00 0.00 H new ATOM 0 HB3 CYS A2096 -48.874 7.973 17.416 1.00 0.00 H new ATOM 655 N GLU A2097 -45.928 7.480 14.926 1.00 0.00 N ATOM 656 CA GLU A2097 -45.139 6.358 14.455 1.00 0.00 C ATOM 657 C GLU A2097 -43.855 6.304 15.271 1.00 0.00 C ATOM 658 O GLU A2097 -43.028 7.216 15.200 1.00 0.00 O ATOM 659 CB GLU A2097 -44.814 6.532 12.974 1.00 0.00 C ATOM 660 CG GLU A2097 -45.952 7.233 12.237 1.00 0.00 C ATOM 661 CD GLU A2097 -45.605 7.397 10.764 1.00 0.00 C ATOM 662 OE1 GLU A2097 -45.497 6.372 10.060 1.00 0.00 O ATOM 663 OE2 GLU A2097 -45.441 8.552 10.316 1.00 0.00 O ATOM 0 H GLU A2097 -45.387 8.337 15.040 1.00 0.00 H new ATOM 0 HA GLU A2097 -45.697 5.429 14.574 1.00 0.00 H new ATOM 0 HB2 GLU A2097 -43.897 7.111 12.866 1.00 0.00 H new ATOM 0 HB3 GLU A2097 -44.631 5.557 12.522 1.00 0.00 H new ATOM 0 HG2 GLU A2097 -46.871 6.656 12.339 1.00 0.00 H new ATOM 0 HG3 GLU A2097 -46.138 8.209 12.685 1.00 0.00 H new ATOM 670 N LEU A2098 -43.707 5.254 16.068 1.00 0.00 N ATOM 671 CA LEU A2098 -42.536 5.092 16.927 1.00 0.00 C ATOM 672 C LEU A2098 -41.255 5.475 16.190 1.00 0.00 C ATOM 673 O LEU A2098 -41.000 5.004 15.081 1.00 0.00 O ATOM 674 CB LEU A2098 -42.452 3.642 17.403 1.00 0.00 C ATOM 675 CG LEU A2098 -41.431 3.465 18.528 1.00 0.00 C ATOM 676 CD1 LEU A2098 -40.031 3.255 17.961 1.00 0.00 C ATOM 677 CD2 LEU A2098 -41.451 4.666 19.473 1.00 0.00 C ATOM 0 H LEU A2098 -44.386 4.496 16.139 1.00 0.00 H new ATOM 0 HA LEU A2098 -42.641 5.756 17.785 1.00 0.00 H new ATOM 0 HB2 LEU A2098 -43.433 3.317 17.750 1.00 0.00 H new ATOM 0 HB3 LEU A2098 -42.182 3.000 16.564 1.00 0.00 H new ATOM 0 HG LEU A2098 -41.707 2.577 19.097 1.00 0.00 H new ATOM 0 HD11 LEU A2098 -39.322 3.131 18.779 1.00 0.00 H new ATOM 0 HD12 LEU A2098 -40.022 2.363 17.335 1.00 0.00 H new ATOM 0 HD13 LEU A2098 -39.747 4.121 17.363 1.00 0.00 H new ATOM 0 HD21 LEU A2098 -40.717 4.518 20.265 1.00 0.00 H new ATOM 0 HD22 LEU A2098 -41.207 5.571 18.917 1.00 0.00 H new ATOM 0 HD23 LEU A2098 -42.443 4.767 19.912 1.00 0.00 H new ATOM 689 N CYS A2099 -40.446 6.324 16.822 1.00 0.00 N ATOM 690 CA CYS A2099 -39.180 6.767 16.241 1.00 0.00 C ATOM 691 C CYS A2099 -38.023 5.967 16.829 1.00 0.00 C ATOM 692 O CYS A2099 -38.169 5.313 17.862 1.00 0.00 O ATOM 693 CB CYS A2099 -38.972 8.258 16.494 1.00 0.00 C ATOM 694 SG CYS A2099 -38.648 9.164 14.970 1.00 0.00 S ATOM 0 H CYS A2099 -40.646 6.720 17.740 1.00 0.00 H new ATOM 0 HA CYS A2099 -39.213 6.598 15.165 1.00 0.00 H new ATOM 0 HB2 CYS A2099 -39.857 8.670 16.979 1.00 0.00 H new ATOM 0 HB3 CYS A2099 -38.138 8.396 17.182 1.00 0.00 H new ATOM 699 N PRO A2100 -36.862 6.007 16.165 1.00 0.00 N ATOM 700 CA PRO A2100 -35.663 5.282 16.601 1.00 0.00 C ATOM 701 C PRO A2100 -34.859 6.046 17.645 1.00 0.00 C ATOM 702 O PRO A2100 -35.121 7.218 17.917 1.00 0.00 O ATOM 703 CB PRO A2100 -34.856 5.125 15.322 1.00 0.00 C ATOM 704 CG PRO A2100 -35.287 6.247 14.428 1.00 0.00 C ATOM 705 CD PRO A2100 -36.621 6.755 14.928 1.00 0.00 C ATOM 0 HA PRO A2100 -35.919 4.337 17.081 1.00 0.00 H new ATOM 0 HB2 PRO A2100 -33.786 5.176 15.526 1.00 0.00 H new ATOM 0 HB3 PRO A2100 -35.046 4.158 14.856 1.00 0.00 H new ATOM 0 HG2 PRO A2100 -34.547 7.047 14.436 1.00 0.00 H new ATOM 0 HG3 PRO A2100 -35.372 5.902 13.397 1.00 0.00 H new ATOM 0 HD2 PRO A2100 -36.592 7.829 15.113 1.00 0.00 H new ATOM 0 HD3 PRO A2100 -37.411 6.579 14.198 1.00 0.00 H new ATOM 713 N THR A2101 -33.873 5.367 18.218 1.00 0.00 N ATOM 714 CA THR A2101 -33.008 5.955 19.230 1.00 0.00 C ATOM 715 C THR A2101 -31.559 5.569 18.961 1.00 0.00 C ATOM 716 O THR A2101 -31.293 4.611 18.240 1.00 0.00 O ATOM 717 CB THR A2101 -33.429 5.468 20.610 1.00 0.00 C ATOM 718 OG1 THR A2101 -34.143 4.247 20.494 1.00 0.00 O ATOM 719 CG2 THR A2101 -34.291 6.511 21.310 1.00 0.00 C ATOM 0 H THR A2101 -33.652 4.397 17.994 1.00 0.00 H new ATOM 0 HA THR A2101 -33.097 7.041 19.192 1.00 0.00 H new ATOM 0 HB THR A2101 -32.532 5.305 21.208 1.00 0.00 H new ATOM 0 HG1 THR A2101 -34.410 3.938 21.385 1.00 0.00 H new ATOM 0 HG21 THR A2101 -34.581 6.143 22.294 1.00 0.00 H new ATOM 0 HG22 THR A2101 -33.725 7.436 21.421 1.00 0.00 H new ATOM 0 HG23 THR A2101 -35.185 6.702 20.716 1.00 0.00 H new ATOM 727 N GLU A2102 -30.626 6.322 19.534 1.00 0.00 N ATOM 728 CA GLU A2102 -29.204 6.058 19.346 1.00 0.00 C ATOM 729 C GLU A2102 -28.772 4.823 20.128 1.00 0.00 C ATOM 730 O GLU A2102 -29.307 4.537 21.198 1.00 0.00 O ATOM 731 CB GLU A2102 -28.396 7.273 19.801 1.00 0.00 C ATOM 732 CG GLU A2102 -28.174 7.269 21.312 1.00 0.00 C ATOM 733 CD GLU A2102 -29.510 7.189 22.041 1.00 0.00 C ATOM 734 OE1 GLU A2102 -30.334 8.113 21.877 1.00 0.00 O ATOM 735 OE2 GLU A2102 -29.729 6.203 22.777 1.00 0.00 O ATOM 0 H GLU A2102 -30.830 7.122 20.134 1.00 0.00 H new ATOM 0 HA GLU A2102 -29.021 5.871 18.288 1.00 0.00 H new ATOM 0 HB2 GLU A2102 -27.432 7.281 19.291 1.00 0.00 H new ATOM 0 HB3 GLU A2102 -28.917 8.186 19.512 1.00 0.00 H new ATOM 0 HG2 GLU A2102 -27.547 6.422 21.592 1.00 0.00 H new ATOM 0 HG3 GLU A2102 -27.642 8.172 21.611 1.00 0.00 H new ATOM 742 N PRO A2103 -27.792 4.073 19.597 1.00 0.00 N ATOM 743 CA PRO A2103 -27.132 4.379 18.329 1.00 0.00 C ATOM 744 C PRO A2103 -27.778 3.643 17.159 1.00 0.00 C ATOM 745 O PRO A2103 -27.130 3.369 16.149 1.00 0.00 O ATOM 746 CB PRO A2103 -25.714 3.874 18.561 1.00 0.00 C ATOM 747 CG PRO A2103 -25.832 2.790 19.597 1.00 0.00 C ATOM 748 CD PRO A2103 -27.229 2.858 20.186 1.00 0.00 C ATOM 0 HA PRO A2103 -27.190 5.436 18.068 1.00 0.00 H new ATOM 0 HB2 PRO A2103 -25.280 3.488 17.639 1.00 0.00 H new ATOM 0 HB3 PRO A2103 -25.064 4.678 18.907 1.00 0.00 H new ATOM 0 HG2 PRO A2103 -25.654 1.813 19.148 1.00 0.00 H new ATOM 0 HG3 PRO A2103 -25.082 2.924 20.377 1.00 0.00 H new ATOM 0 HD2 PRO A2103 -27.817 1.977 19.927 1.00 0.00 H new ATOM 0 HD3 PRO A2103 -27.203 2.915 21.274 1.00 0.00 H new ATOM 756 N ASP A2104 -29.057 3.314 17.311 1.00 0.00 N ATOM 757 CA ASP A2104 -29.798 2.594 16.278 1.00 0.00 C ATOM 758 C ASP A2104 -29.482 3.146 14.896 1.00 0.00 C ATOM 759 O ASP A2104 -29.252 4.344 14.731 1.00 0.00 O ATOM 760 CB ASP A2104 -31.297 2.694 16.545 1.00 0.00 C ATOM 761 CG ASP A2104 -32.054 1.700 15.675 1.00 0.00 C ATOM 762 OD1 ASP A2104 -31.745 0.491 15.744 1.00 0.00 O ATOM 763 OD2 ASP A2104 -32.957 2.129 14.925 1.00 0.00 O ATOM 0 H ASP A2104 -29.605 3.535 18.143 1.00 0.00 H new ATOM 0 HA ASP A2104 -29.494 1.548 16.308 1.00 0.00 H new ATOM 0 HB2 ASP A2104 -31.500 2.496 17.597 1.00 0.00 H new ATOM 0 HB3 ASP A2104 -31.644 3.707 16.339 1.00 0.00 H new ATOM 768 N GLU A2105 -29.480 2.262 13.905 1.00 0.00 N ATOM 769 CA GLU A2105 -29.199 2.652 12.528 1.00 0.00 C ATOM 770 C GLU A2105 -30.167 3.741 12.091 1.00 0.00 C ATOM 771 O GLU A2105 -29.758 4.784 11.579 1.00 0.00 O ATOM 772 CB GLU A2105 -29.327 1.441 11.608 1.00 0.00 C ATOM 773 CG GLU A2105 -29.147 1.835 10.145 1.00 0.00 C ATOM 774 CD GLU A2105 -29.672 0.733 9.235 1.00 0.00 C ATOM 775 OE1 GLU A2105 -30.709 0.125 9.574 1.00 0.00 O ATOM 776 OE2 GLU A2105 -29.048 0.481 8.183 1.00 0.00 O ATOM 0 H GLU A2105 -29.670 1.268 14.030 1.00 0.00 H new ATOM 0 HA GLU A2105 -28.181 3.037 12.468 1.00 0.00 H new ATOM 0 HB2 GLU A2105 -28.581 0.694 11.880 1.00 0.00 H new ATOM 0 HB3 GLU A2105 -30.305 0.979 11.745 1.00 0.00 H new ATOM 0 HG2 GLU A2105 -29.677 2.766 9.944 1.00 0.00 H new ATOM 0 HG3 GLU A2105 -28.093 2.017 9.937 1.00 0.00 H new ATOM 783 N ALA A2106 -31.455 3.494 12.302 1.00 0.00 N ATOM 784 CA ALA A2106 -32.489 4.453 11.936 1.00 0.00 C ATOM 785 C ALA A2106 -32.263 5.770 12.669 1.00 0.00 C ATOM 786 O ALA A2106 -32.459 6.847 12.105 1.00 0.00 O ATOM 787 CB ALA A2106 -33.865 3.892 12.280 1.00 0.00 C ATOM 0 H ALA A2106 -31.808 2.636 12.726 1.00 0.00 H new ATOM 0 HA ALA A2106 -32.439 4.634 10.862 1.00 0.00 H new ATOM 0 HB1 ALA A2106 -34.632 4.615 12.003 1.00 0.00 H new ATOM 0 HB2 ALA A2106 -34.027 2.964 11.732 1.00 0.00 H new ATOM 0 HB3 ALA A2106 -33.921 3.696 13.351 1.00 0.00 H new ATOM 793 N PHE A2107 -31.847 5.679 13.930 1.00 0.00 N ATOM 794 CA PHE A2107 -31.594 6.868 14.736 1.00 0.00 C ATOM 795 C PHE A2107 -30.629 7.798 14.020 1.00 0.00 C ATOM 796 O PHE A2107 -30.942 8.958 13.767 1.00 0.00 O ATOM 797 CB PHE A2107 -31.005 6.490 16.088 1.00 0.00 C ATOM 798 CG PHE A2107 -30.474 7.696 16.825 1.00 0.00 C ATOM 799 CD1 PHE A2107 -31.335 8.488 17.566 1.00 0.00 C ATOM 800 CD2 PHE A2107 -29.129 8.023 16.747 1.00 0.00 C ATOM 801 CE1 PHE A2107 -30.854 9.605 18.229 1.00 0.00 C ATOM 802 CE2 PHE A2107 -28.648 9.141 17.411 1.00 0.00 C ATOM 803 CZ PHE A2107 -29.510 9.932 18.152 1.00 0.00 C ATOM 0 H PHE A2107 -31.679 4.797 14.413 1.00 0.00 H new ATOM 0 HA PHE A2107 -32.547 7.375 14.888 1.00 0.00 H new ATOM 0 HB2 PHE A2107 -31.768 6.001 16.693 1.00 0.00 H new ATOM 0 HB3 PHE A2107 -30.201 5.768 15.945 1.00 0.00 H new ATOM 0 HD1 PHE A2107 -32.383 8.234 17.627 1.00 0.00 H new ATOM 0 HD2 PHE A2107 -28.456 7.407 16.169 1.00 0.00 H new ATOM 0 HE1 PHE A2107 -31.527 10.221 18.806 1.00 0.00 H new ATOM 0 HE2 PHE A2107 -27.600 9.395 17.350 1.00 0.00 H new ATOM 0 HZ PHE A2107 -29.135 10.803 18.669 1.00 0.00 H new ATOM 813 N ARG A2108 -29.446 7.284 13.705 1.00 0.00 N ATOM 814 CA ARG A2108 -28.431 8.075 13.022 1.00 0.00 C ATOM 815 C ARG A2108 -28.972 8.598 11.697 1.00 0.00 C ATOM 816 O ARG A2108 -28.548 9.648 11.215 1.00 0.00 O ATOM 817 CB ARG A2108 -27.176 7.233 12.805 1.00 0.00 C ATOM 818 CG ARG A2108 -27.231 6.451 11.494 1.00 0.00 C ATOM 819 CD ARG A2108 -26.502 7.199 10.383 1.00 0.00 C ATOM 820 NE ARG A2108 -27.113 6.906 9.091 1.00 0.00 N ATOM 821 CZ ARG A2108 -26.463 6.232 8.148 1.00 0.00 C ATOM 822 NH1 ARG A2108 -25.641 6.867 7.323 1.00 0.00 N ATOM 823 NH2 ARG A2108 -26.632 4.923 8.031 1.00 0.00 N ATOM 0 H ARG A2108 -29.167 6.325 13.911 1.00 0.00 H new ATOM 0 HA ARG A2108 -28.169 8.933 13.642 1.00 0.00 H new ATOM 0 HB2 ARG A2108 -26.300 7.882 12.804 1.00 0.00 H new ATOM 0 HB3 ARG A2108 -27.057 6.539 13.637 1.00 0.00 H new ATOM 0 HG2 ARG A2108 -26.780 5.468 11.633 1.00 0.00 H new ATOM 0 HG3 ARG A2108 -28.270 6.287 11.207 1.00 0.00 H new ATOM 0 HD2 ARG A2108 -26.536 8.272 10.574 1.00 0.00 H new ATOM 0 HD3 ARG A2108 -25.451 6.911 10.370 1.00 0.00 H new ATOM 0 HE ARG A2108 -28.064 7.227 8.907 1.00 0.00 H new ATOM 0 HH11 ARG A2108 -25.507 7.874 7.412 1.00 0.00 H new ATOM 0 HH12 ARG A2108 -25.143 6.348 6.600 1.00 0.00 H new ATOM 0 HH21 ARG A2108 -27.262 4.431 8.665 1.00 0.00 H new ATOM 0 HH22 ARG A2108 -26.132 4.407 7.307 1.00 0.00 H new ATOM 837 N GLN A2109 -29.921 7.867 11.116 1.00 0.00 N ATOM 838 CA GLN A2109 -30.526 8.272 9.854 1.00 0.00 C ATOM 839 C GLN A2109 -31.108 9.669 9.998 1.00 0.00 C ATOM 840 O GLN A2109 -31.030 10.486 9.081 1.00 0.00 O ATOM 841 CB GLN A2109 -31.621 7.288 9.452 1.00 0.00 C ATOM 842 CG GLN A2109 -32.022 7.476 7.991 1.00 0.00 C ATOM 843 CD GLN A2109 -32.559 6.171 7.420 1.00 0.00 C ATOM 844 OE1 GLN A2109 -31.981 5.604 6.491 1.00 0.00 O ATOM 845 NE2 GLN A2109 -33.668 5.692 7.973 1.00 0.00 N ATOM 0 H GLN A2109 -30.285 6.995 11.499 1.00 0.00 H new ATOM 0 HA GLN A2109 -29.762 8.276 9.076 1.00 0.00 H new ATOM 0 HB2 GLN A2109 -31.272 6.267 9.608 1.00 0.00 H new ATOM 0 HB3 GLN A2109 -32.492 7.428 10.092 1.00 0.00 H new ATOM 0 HG2 GLN A2109 -32.780 8.255 7.912 1.00 0.00 H new ATOM 0 HG3 GLN A2109 -31.162 7.809 7.410 1.00 0.00 H new ATOM 0 HE21 GLN A2109 -34.113 6.195 8.741 1.00 0.00 H new ATOM 0 HE22 GLN A2109 -34.074 4.821 7.630 1.00 0.00 H new ATOM 854 N ILE A2110 -31.680 9.938 11.167 1.00 0.00 N ATOM 855 CA ILE A2110 -32.265 11.242 11.454 1.00 0.00 C ATOM 856 C ILE A2110 -31.286 12.088 12.258 1.00 0.00 C ATOM 857 O ILE A2110 -31.485 13.291 12.424 1.00 0.00 O ATOM 858 CB ILE A2110 -33.575 11.090 12.230 1.00 0.00 C ATOM 859 CG1 ILE A2110 -33.515 9.903 13.187 1.00 0.00 C ATOM 860 CG2 ILE A2110 -34.754 10.938 11.280 1.00 0.00 C ATOM 861 CD1 ILE A2110 -34.815 9.769 13.976 1.00 0.00 C ATOM 0 H ILE A2110 -31.751 9.268 11.933 1.00 0.00 H new ATOM 0 HA ILE A2110 -32.477 11.738 10.507 1.00 0.00 H new ATOM 0 HB ILE A2110 -33.716 11.997 12.818 1.00 0.00 H new ATOM 0 HG12 ILE A2110 -33.331 8.987 12.625 1.00 0.00 H new ATOM 0 HG13 ILE A2110 -32.679 10.028 13.875 1.00 0.00 H new ATOM 0 HG21 ILE A2110 -35.674 10.832 11.855 1.00 0.00 H new ATOM 0 HG22 ILE A2110 -34.824 11.820 10.643 1.00 0.00 H new ATOM 0 HG23 ILE A2110 -34.610 10.053 10.660 1.00 0.00 H new ATOM 0 HD11 ILE A2110 -34.745 8.915 14.650 1.00 0.00 H new ATOM 0 HD12 ILE A2110 -34.984 10.676 14.556 1.00 0.00 H new ATOM 0 HD13 ILE A2110 -35.646 9.619 13.286 1.00 0.00 H new ATOM 873 N CYS A2111 -30.225 11.456 12.761 1.00 0.00 N ATOM 874 CA CYS A2111 -29.222 12.161 13.550 1.00 0.00 C ATOM 875 C CYS A2111 -27.827 11.888 13.004 1.00 0.00 C ATOM 876 O CYS A2111 -27.134 10.982 13.468 1.00 0.00 O ATOM 877 CB CYS A2111 -29.308 11.724 15.008 1.00 0.00 C ATOM 878 SG CYS A2111 -30.859 12.219 15.776 1.00 0.00 S ATOM 0 H CYS A2111 -30.041 10.461 12.635 1.00 0.00 H new ATOM 0 HA CYS A2111 -29.416 13.232 13.486 1.00 0.00 H new ATOM 0 HB2 CYS A2111 -29.205 10.641 15.067 1.00 0.00 H new ATOM 0 HB3 CYS A2111 -28.475 12.155 15.564 1.00 0.00 H new ATOM 883 N PRO A2112 -27.400 12.674 12.005 1.00 0.00 N ATOM 884 CA PRO A2112 -26.082 12.527 11.381 1.00 0.00 C ATOM 885 C PRO A2112 -24.968 13.068 12.268 1.00 0.00 C ATOM 886 O PRO A2112 -23.871 12.513 12.313 1.00 0.00 O ATOM 887 CB PRO A2112 -26.176 13.331 10.083 1.00 0.00 C ATOM 888 CG PRO A2112 -27.551 13.925 10.036 1.00 0.00 C ATOM 889 CD PRO A2112 -28.165 13.765 11.403 1.00 0.00 C ATOM 0 HA PRO A2112 -25.837 11.479 11.211 1.00 0.00 H new ATOM 0 HB2 PRO A2112 -25.417 14.113 10.057 1.00 0.00 H new ATOM 0 HB3 PRO A2112 -26.003 12.690 9.219 1.00 0.00 H new ATOM 0 HG2 PRO A2112 -27.504 14.978 9.759 1.00 0.00 H new ATOM 0 HG3 PRO A2112 -28.159 13.424 9.283 1.00 0.00 H new ATOM 0 HD2 PRO A2112 -28.083 14.681 11.988 1.00 0.00 H new ATOM 0 HD3 PRO A2112 -29.226 13.522 11.339 1.00 0.00 H new ATOM 897 N TYR A2113 -25.260 14.154 12.976 1.00 0.00 N ATOM 898 CA TYR A2113 -24.285 14.773 13.869 1.00 0.00 C ATOM 899 C TYR A2113 -24.611 14.434 15.317 1.00 0.00 C ATOM 900 O TYR A2113 -23.755 14.535 16.196 1.00 0.00 O ATOM 901 CB TYR A2113 -24.278 16.289 13.681 1.00 0.00 C ATOM 902 CG TYR A2113 -24.968 16.737 12.417 1.00 0.00 C ATOM 903 CD1 TYR A2113 -24.636 16.163 11.202 1.00 0.00 C ATOM 904 CD2 TYR A2113 -25.934 17.729 12.470 1.00 0.00 C ATOM 905 CE1 TYR A2113 -25.270 16.578 10.043 1.00 0.00 C ATOM 906 CE2 TYR A2113 -26.565 18.144 11.309 1.00 0.00 C ATOM 907 CZ TYR A2113 -26.229 17.567 10.102 1.00 0.00 C ATOM 908 OH TYR A2113 -26.857 17.981 8.949 1.00 0.00 O ATOM 0 H TYR A2113 -26.165 14.625 12.949 1.00 0.00 H new ATOM 0 HA TYR A2113 -23.297 14.384 13.625 1.00 0.00 H new ATOM 0 HB2 TYR A2113 -24.764 16.756 14.537 1.00 0.00 H new ATOM 0 HB3 TYR A2113 -23.247 16.642 13.668 1.00 0.00 H new ATOM 0 HD1 TYR A2113 -23.882 15.391 11.158 1.00 0.00 H new ATOM 0 HD2 TYR A2113 -26.195 18.179 13.417 1.00 0.00 H new ATOM 0 HE1 TYR A2113 -25.014 16.128 9.095 1.00 0.00 H new ATOM 0 HE2 TYR A2113 -27.318 18.917 11.349 1.00 0.00 H new ATOM 0 HH TYR A2113 -27.506 18.683 9.164 1.00 0.00 H new ATOM 918 N GLY A2114 -25.854 14.035 15.558 1.00 0.00 N ATOM 919 CA GLY A2114 -26.301 13.680 16.901 1.00 0.00 C ATOM 920 C GLY A2114 -27.722 14.171 17.140 1.00 0.00 C ATOM 921 O GLY A2114 -28.391 14.636 16.218 1.00 0.00 O ATOM 0 H GLY A2114 -26.573 13.949 14.839 1.00 0.00 H new ATOM 0 HA2 GLY A2114 -26.258 12.599 17.031 1.00 0.00 H new ATOM 0 HA3 GLY A2114 -25.630 14.117 17.641 1.00 0.00 H new ATOM 925 N SER A2115 -28.180 14.061 18.383 1.00 0.00 N ATOM 926 CA SER A2115 -29.527 14.488 18.745 1.00 0.00 C ATOM 927 C SER A2115 -29.552 15.975 19.073 1.00 0.00 C ATOM 928 O SER A2115 -29.598 16.359 20.241 1.00 0.00 O ATOM 929 CB SER A2115 -30.016 13.687 19.946 1.00 0.00 C ATOM 930 OG SER A2115 -28.918 13.299 20.761 1.00 0.00 O ATOM 0 H SER A2115 -27.637 13.679 19.158 1.00 0.00 H new ATOM 0 HA SER A2115 -30.186 14.310 17.896 1.00 0.00 H new ATOM 0 HB2 SER A2115 -30.717 14.284 20.529 1.00 0.00 H new ATOM 0 HB3 SER A2115 -30.556 12.803 19.607 1.00 0.00 H new ATOM 0 HG SER A2115 -28.459 14.098 21.094 1.00 0.00 H new