USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 740 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: A 256 SER OG : rot -1:sc= 0.857 USER MOD Set 1.2: A 259 LYS NZ :NH3+ -164:sc= 0.605 (180deg=0) USER MOD Set 2.1: A 248 LYS NZ :NH3+ -173:sc= 1.65 (180deg=1.07) USER MOD Set 2.2: A 284 TYR OH : rot 63:sc= 1.1 USER MOD Set 3.1: A 234 THR OG1 : rot 180:sc= 0.0861 USER MOD Set 3.2: A 270 THR OG1 : rot -97:sc= 0.0846 USER MOD Set 4.1: A 226 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 229 HIS : no HE2:sc= 1.09 K(o=1.1,f=-5!) USER MOD Set 5.1: A 210 LYS NZ :NH3+ -173:sc= 0.686! (180deg=-0.85!) USER MOD Set 5.2: A 294 SER OG : rot -49:sc= 1.88 USER MOD Single : A 211 LYS NZ :NH3+ -163:sc= 1.09 (180deg=0.656) USER MOD Single : A 212 SER OG : rot -12:sc= 0.863 USER MOD Single : A 213 THR OG1 : rot -96:sc= 1.32 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.183 F(o=-2.5,f=-0.18) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ 137:sc= 1.26 (180deg=0.353) USER MOD Single : A 223 TYR OH : rot -141:sc= -3.55! USER MOD Single : A 224 GLN :FLIP amide:sc= -0.146 F(o=-2!,f=-0.15) USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 LYS NZ :NH3+ 166:sc= -0.0254 (180deg=-0.219) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.506 F(o=-2.3!,f=0.51) USER MOD Single : A 245 LYS NZ :NH3+ -122:sc= 0.352 (180deg=-0.715) USER MOD Single : A 249 ASN :FLIP amide:sc= -2.99! C(o=-5.9!,f=-3!) USER MOD Single : A 251 GLN : amide:sc= -0.684 K(o=-0.68,f=-1.5) USER MOD Single : A 254 GLN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 255 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 258 SER OG : rot 180:sc= 0.0586 USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 THR OG1 : rot 180:sc= -0.0123 USER MOD Single : A 274 SER OG : rot -150:sc= -1.22 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 276 CYS SG : rot 65:sc= -1.07 USER MOD Single : A 277 SER OG : rot 180:sc= -0.0469 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.9! C(o=-14!,f=-12!) USER MOD Single : A 286 CYS SG : rot -46:sc= -7.56! USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 293 CYS SG : rot 8:sc= -8.52! USER MOD Single : A 295 THR OG1 : rot -150:sc= -2.76! USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 208 5.269 -17.180 -0.325 1.00 3.09 N ATOM 2 CA ASP A 208 4.555 -15.958 0.111 1.00 2.68 C ATOM 3 C ASP A 208 5.493 -14.768 0.128 1.00 1.97 C ATOM 4 O ASP A 208 6.523 -14.799 0.804 1.00 2.14 O ATOM 5 CB ASP A 208 4.012 -16.181 1.525 1.00 3.41 C ATOM 6 CG ASP A 208 3.075 -15.081 1.979 1.00 4.18 C ATOM 7 OD1 ASP A 208 2.749 -14.194 1.163 1.00 4.71 O ATOM 8 OD2 ASP A 208 2.670 -15.083 3.154 1.00 4.43 O ATOM 0 HA ASP A 208 3.742 -15.756 -0.586 1.00 2.68 H new ATOM 0 HB2 ASP A 208 3.487 -17.136 1.560 1.00 3.41 H new ATOM 0 HB3 ASP A 208 4.847 -16.250 2.222 1.00 3.41 H new ATOM 13 N GLU A 209 5.091 -13.686 -0.517 1.00 1.38 N ATOM 14 CA GLU A 209 5.845 -12.460 -0.431 1.00 0.90 C ATOM 15 C GLU A 209 5.327 -11.624 0.738 1.00 0.92 C ATOM 16 O GLU A 209 4.233 -11.079 0.695 1.00 1.33 O ATOM 17 CB GLU A 209 5.777 -11.662 -1.755 1.00 1.00 C ATOM 18 CG GLU A 209 4.376 -11.232 -2.206 1.00 0.81 C ATOM 19 CD GLU A 209 3.625 -12.304 -2.974 1.00 1.10 C ATOM 20 OE1 GLU A 209 3.283 -13.348 -2.383 1.00 1.52 O ATOM 21 OE2 GLU A 209 3.366 -12.096 -4.178 1.00 1.51 O ATOM 0 H GLU A 209 4.255 -13.637 -1.099 1.00 1.38 H new ATOM 0 HA GLU A 209 6.893 -12.706 -0.257 1.00 0.90 H new ATOM 0 HB2 GLU A 209 6.394 -10.770 -1.651 1.00 1.00 H new ATOM 0 HB3 GLU A 209 6.222 -12.267 -2.545 1.00 1.00 H new ATOM 0 HG2 GLU A 209 3.793 -10.950 -1.329 1.00 0.81 H new ATOM 0 HG3 GLU A 209 4.462 -10.343 -2.831 1.00 0.81 H new ATOM 28 N LYS A 210 6.111 -11.530 1.792 1.00 1.02 N ATOM 29 CA LYS A 210 5.721 -10.742 2.951 1.00 1.23 C ATOM 30 C LYS A 210 6.810 -9.740 3.299 1.00 1.22 C ATOM 31 O LYS A 210 6.593 -8.532 3.219 1.00 1.70 O ATOM 32 CB LYS A 210 5.414 -11.646 4.145 1.00 1.64 C ATOM 33 CG LYS A 210 4.049 -12.311 4.062 1.00 2.30 C ATOM 34 CD LYS A 210 2.928 -11.285 4.152 1.00 2.91 C ATOM 35 CE LYS A 210 1.560 -11.930 4.007 1.00 3.69 C ATOM 36 NZ LYS A 210 1.359 -12.506 2.652 1.00 4.13 N ATOM 0 H LYS A 210 7.020 -11.986 1.874 1.00 1.02 H new ATOM 0 HA LYS A 210 4.813 -10.193 2.704 1.00 1.23 H new ATOM 0 HB2 LYS A 210 6.182 -12.416 4.215 1.00 1.64 H new ATOM 0 HB3 LYS A 210 5.468 -11.057 5.061 1.00 1.64 H new ATOM 0 HG2 LYS A 210 3.967 -12.862 3.125 1.00 2.30 H new ATOM 0 HG3 LYS A 210 3.946 -13.037 4.868 1.00 2.30 H new ATOM 0 HD2 LYS A 210 2.986 -10.766 5.109 1.00 2.91 H new ATOM 0 HD3 LYS A 210 3.060 -10.533 3.374 1.00 2.91 H new ATOM 0 HE2 LYS A 210 1.448 -12.715 4.755 1.00 3.69 H new ATOM 0 HE3 LYS A 210 0.786 -11.188 4.204 1.00 3.69 H new ATOM 0 HZ1 LYS A 210 0.376 -12.830 2.555 1.00 4.13 H new ATOM 0 HZ2 LYS A 210 1.557 -11.781 1.934 1.00 4.13 H new ATOM 0 HZ3 LYS A 210 2.003 -13.311 2.518 1.00 4.13 H new ATOM 50 N LYS A 211 8.001 -10.239 3.575 1.00 0.88 N ATOM 51 CA LYS A 211 9.158 -9.374 3.706 1.00 0.88 C ATOM 52 C LYS A 211 10.119 -9.609 2.542 1.00 0.95 C ATOM 53 O LYS A 211 10.591 -10.731 2.346 1.00 1.30 O ATOM 54 CB LYS A 211 9.851 -9.581 5.046 1.00 1.13 C ATOM 55 CG LYS A 211 10.332 -8.276 5.647 1.00 1.10 C ATOM 56 CD LYS A 211 9.162 -7.360 5.992 1.00 0.94 C ATOM 57 CE LYS A 211 9.602 -5.911 6.149 1.00 0.58 C ATOM 58 NZ LYS A 211 10.912 -5.810 6.841 1.00 1.33 N ATOM 0 H LYS A 211 8.192 -11.232 3.712 1.00 0.88 H new ATOM 0 HA LYS A 211 8.823 -8.337 3.674 1.00 0.88 H new ATOM 0 HB2 LYS A 211 9.163 -10.066 5.738 1.00 1.13 H new ATOM 0 HB3 LYS A 211 10.699 -10.253 4.915 1.00 1.13 H new ATOM 0 HG2 LYS A 211 10.914 -8.480 6.546 1.00 1.10 H new ATOM 0 HG3 LYS A 211 10.996 -7.772 4.944 1.00 1.10 H new ATOM 0 HD2 LYS A 211 8.406 -7.427 5.210 1.00 0.94 H new ATOM 0 HD3 LYS A 211 8.695 -7.700 6.917 1.00 0.94 H new ATOM 0 HE2 LYS A 211 9.671 -5.443 5.167 1.00 0.58 H new ATOM 0 HE3 LYS A 211 8.849 -5.360 6.712 1.00 0.58 H new ATOM 0 HZ1 LYS A 211 11.048 -4.839 7.187 1.00 1.33 H new ATOM 0 HZ2 LYS A 211 10.932 -6.470 7.645 1.00 1.33 H new ATOM 0 HZ3 LYS A 211 11.675 -6.051 6.177 1.00 1.33 H new ATOM 72 N SER A 212 10.385 -8.567 1.765 1.00 1.04 N ATOM 73 CA SER A 212 11.241 -8.656 0.577 1.00 1.39 C ATOM 74 C SER A 212 11.552 -7.266 0.049 1.00 1.11 C ATOM 75 O SER A 212 12.710 -6.886 -0.126 1.00 1.73 O ATOM 76 CB SER A 212 10.526 -9.404 -0.549 1.00 1.91 C ATOM 77 OG SER A 212 10.188 -10.731 -0.180 1.00 2.46 O ATOM 0 H SER A 212 10.015 -7.632 1.937 1.00 1.04 H new ATOM 0 HA SER A 212 12.151 -9.179 0.872 1.00 1.39 H new ATOM 0 HB2 SER A 212 9.620 -8.863 -0.824 1.00 1.91 H new ATOM 0 HB3 SER A 212 11.165 -9.426 -1.432 1.00 1.91 H new ATOM 0 HG SER A 212 10.649 -10.966 0.652 1.00 2.46 H new ATOM 83 N THR A 213 10.478 -6.550 -0.263 1.00 0.75 N ATOM 84 CA THR A 213 10.543 -5.219 -0.830 1.00 0.42 C ATOM 85 C THR A 213 11.254 -4.263 0.132 1.00 0.62 C ATOM 86 O THR A 213 11.381 -4.561 1.320 1.00 1.59 O ATOM 87 CB THR A 213 9.125 -4.708 -1.143 1.00 0.48 C ATOM 88 OG1 THR A 213 9.179 -3.449 -1.807 1.00 1.20 O ATOM 89 CG2 THR A 213 8.348 -4.614 0.135 1.00 0.93 C ATOM 0 H THR A 213 9.526 -6.888 -0.125 1.00 0.75 H new ATOM 0 HA THR A 213 11.113 -5.261 -1.758 1.00 0.42 H new ATOM 0 HB THR A 213 8.624 -5.407 -1.813 1.00 0.48 H new ATOM 0 HG1 THR A 213 9.073 -2.729 -1.151 1.00 1.20 H new ATOM 0 HG21 THR A 213 7.342 -4.253 -0.077 1.00 0.93 H new ATOM 0 HG22 THR A 213 8.290 -5.599 0.599 1.00 0.93 H new ATOM 0 HG23 THR A 213 8.847 -3.922 0.814 1.00 0.93 H new ATOM 97 N ALA A 214 11.786 -3.163 -0.389 1.00 0.50 N ATOM 98 CA ALA A 214 12.569 -2.230 0.418 1.00 0.39 C ATOM 99 C ALA A 214 11.709 -1.426 1.391 1.00 0.25 C ATOM 100 O ALA A 214 11.971 -0.252 1.645 1.00 0.27 O ATOM 101 CB ALA A 214 13.360 -1.288 -0.463 1.00 0.48 C ATOM 0 H ALA A 214 11.690 -2.894 -1.368 1.00 0.50 H new ATOM 0 HA ALA A 214 13.254 -2.837 1.010 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.935 -0.603 0.160 1.00 0.48 H new ATOM 0 HB2 ALA A 214 14.039 -1.863 -1.092 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.676 -0.719 -1.093 1.00 0.48 H new ATOM 107 N PHE A 215 10.773 -2.094 2.026 1.00 0.25 N ATOM 108 CA PHE A 215 10.021 -1.508 3.101 1.00 0.18 C ATOM 109 C PHE A 215 10.579 -2.051 4.397 1.00 0.21 C ATOM 110 O PHE A 215 10.468 -3.246 4.675 1.00 0.28 O ATOM 111 CB PHE A 215 8.524 -1.836 2.968 1.00 0.20 C ATOM 112 CG PHE A 215 7.891 -1.317 1.688 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.420 -1.626 0.446 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.771 -0.506 1.730 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.848 -1.139 -0.712 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.203 -0.013 0.573 1.00 0.31 C ATOM 117 CZ PHE A 215 6.742 -0.329 -0.650 1.00 0.35 C ATOM 0 H PHE A 215 10.515 -3.057 1.809 1.00 0.25 H new ATOM 0 HA PHE A 215 10.110 -0.422 3.076 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.394 -2.917 3.014 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.993 -1.415 3.821 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.294 -2.258 0.382 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.334 -0.254 2.685 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.273 -1.397 -1.671 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.332 0.623 0.629 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.299 0.057 -1.556 1.00 0.35 H new ATOM 127 N GLN A 216 11.215 -1.167 5.161 1.00 0.18 N ATOM 128 CA GLN A 216 11.794 -1.509 6.451 1.00 0.21 C ATOM 129 C GLN A 216 10.783 -2.294 7.241 1.00 0.24 C ATOM 130 O GLN A 216 11.050 -3.394 7.711 1.00 0.31 O ATOM 131 CB GLN A 216 12.135 -0.235 7.210 1.00 0.20 C ATOM 132 CG GLN A 216 13.360 -0.365 8.108 1.00 0.25 C ATOM 133 CD GLN A 216 13.791 0.946 8.744 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.255 2.054 8.262 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.635 0.964 9.642 1.00 0.79 N flip ATOM 0 H GLN A 216 11.342 -0.190 4.899 1.00 0.18 H new ATOM 0 HA GLN A 216 12.699 -2.098 6.304 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.304 0.569 6.494 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.279 0.055 7.819 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.148 -1.088 8.895 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.188 -0.765 7.523 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.028 0.089 9.990 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.941 1.853 10.037 1.00 0.79 H new ATOM 144 N LYS A 217 9.579 -1.767 7.244 1.00 0.20 N ATOM 145 CA LYS A 217 8.446 -2.470 7.765 1.00 0.22 C ATOM 146 C LYS A 217 7.238 -2.262 6.855 1.00 0.17 C ATOM 147 O LYS A 217 6.730 -1.151 6.756 1.00 0.17 O ATOM 148 CB LYS A 217 8.155 -1.955 9.162 1.00 0.28 C ATOM 149 CG LYS A 217 6.930 -2.564 9.787 1.00 0.36 C ATOM 150 CD LYS A 217 6.627 -1.913 11.124 1.00 0.59 C ATOM 151 CE LYS A 217 7.651 -2.296 12.179 1.00 1.26 C ATOM 152 NZ LYS A 217 7.408 -1.601 13.468 1.00 1.85 N ATOM 0 H LYS A 217 9.366 -0.837 6.883 1.00 0.20 H new ATOM 0 HA LYS A 217 8.658 -3.538 7.808 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.016 -2.155 9.800 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.032 -0.873 9.123 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.078 -2.445 9.118 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.080 -3.635 9.925 1.00 0.36 H new ATOM 0 HD2 LYS A 217 6.613 -0.829 11.007 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.633 -2.210 11.457 1.00 0.59 H new ATOM 0 HE2 LYS A 217 7.622 -3.374 12.337 1.00 1.26 H new ATOM 0 HE3 LYS A 217 8.651 -2.053 11.819 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 8.129 -1.890 14.160 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 7.461 -0.572 13.323 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 6.464 -1.852 13.825 1.00 1.85 H new ATOM 166 N LYS A 218 6.642 -3.343 6.395 1.00 0.19 N ATOM 167 CA LYS A 218 5.331 -3.248 5.772 1.00 0.20 C ATOM 168 C LYS A 218 4.283 -3.493 6.850 1.00 0.18 C ATOM 169 O LYS A 218 4.500 -4.305 7.753 1.00 0.20 O ATOM 170 CB LYS A 218 5.175 -4.235 4.592 1.00 0.31 C ATOM 171 CG LYS A 218 3.851 -4.106 3.832 1.00 0.39 C ATOM 172 CD LYS A 218 2.774 -5.035 4.365 1.00 0.96 C ATOM 173 CE LYS A 218 3.282 -6.449 4.609 1.00 1.56 C ATOM 174 NZ LYS A 218 3.731 -7.119 3.362 1.00 2.42 N ATOM 0 H LYS A 218 7.033 -4.284 6.437 1.00 0.19 H new ATOM 0 HA LYS A 218 5.202 -2.254 5.343 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.998 -4.081 3.894 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.265 -5.253 4.971 1.00 0.31 H new ATOM 0 HG2 LYS A 218 3.500 -3.076 3.895 1.00 0.39 H new ATOM 0 HG3 LYS A 218 4.020 -4.321 2.777 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.380 -4.630 5.297 1.00 0.96 H new ATOM 0 HD3 LYS A 218 1.946 -5.068 3.657 1.00 0.96 H new ATOM 0 HE2 LYS A 218 4.110 -6.416 5.317 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.491 -7.041 5.070 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 4.622 -7.624 3.541 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 3.006 -7.796 3.051 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 3.880 -6.406 2.619 1.00 2.42 H new ATOM 188 N LEU A 219 3.216 -2.711 6.830 1.00 0.16 N ATOM 189 CA LEU A 219 2.188 -2.798 7.857 1.00 0.16 C ATOM 190 C LEU A 219 1.545 -4.186 7.905 1.00 0.16 C ATOM 191 O LEU A 219 1.793 -5.025 7.046 1.00 0.17 O ATOM 192 CB LEU A 219 1.113 -1.732 7.671 1.00 0.20 C ATOM 193 CG LEU A 219 1.242 -0.507 8.581 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.027 0.396 8.430 1.00 1.20 C ATOM 195 CD2 LEU A 219 1.417 -0.929 10.032 1.00 1.62 C ATOM 0 H LEU A 219 3.038 -2.007 6.113 1.00 0.16 H new ATOM 0 HA LEU A 219 2.689 -2.621 8.809 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.132 -1.397 6.634 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.138 -2.189 7.841 1.00 0.20 H new ATOM 0 HG LEU A 219 2.128 0.051 8.280 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.134 1.262 9.083 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.052 0.729 7.395 1.00 1.20 H new ATOM 0 HD13 LEU A 219 -0.873 -0.156 8.703 1.00 1.20 H new ATOM 0 HD21 LEU A 219 1.507 -0.043 10.660 1.00 1.62 H new ATOM 0 HD22 LEU A 219 0.552 -1.512 10.348 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.318 -1.535 10.129 1.00 1.62 H new ATOM 207 N GLU A 220 0.794 -4.438 8.968 1.00 0.17 N ATOM 208 CA GLU A 220 0.148 -5.733 9.193 1.00 0.20 C ATOM 209 C GLU A 220 -0.548 -6.244 7.929 1.00 0.19 C ATOM 210 O GLU A 220 -1.113 -5.458 7.171 1.00 0.19 O ATOM 211 CB GLU A 220 -0.867 -5.580 10.323 1.00 0.23 C ATOM 212 CG GLU A 220 -1.858 -4.450 10.089 1.00 0.24 C ATOM 213 CD GLU A 220 -2.535 -3.998 11.363 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.194 -4.526 12.440 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.398 -3.099 11.297 1.00 1.12 O ATOM 0 H GLU A 220 0.612 -3.753 9.702 1.00 0.17 H new ATOM 0 HA GLU A 220 0.910 -6.464 9.462 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.414 -6.516 10.441 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.336 -5.401 11.258 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.339 -3.604 9.638 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.615 -4.777 9.376 1.00 0.24 H new ATOM 222 N PRO A 221 -0.430 -7.558 7.641 1.00 0.22 N ATOM 223 CA PRO A 221 -0.954 -8.174 6.404 1.00 0.23 C ATOM 224 C PRO A 221 -2.475 -8.153 6.286 1.00 0.20 C ATOM 225 O PRO A 221 -3.041 -8.938 5.531 1.00 0.19 O ATOM 226 CB PRO A 221 -0.456 -9.622 6.480 1.00 0.29 C ATOM 227 CG PRO A 221 0.676 -9.591 7.446 1.00 0.57 C ATOM 228 CD PRO A 221 0.320 -8.533 8.448 1.00 0.26 C ATOM 0 HA PRO A 221 -0.611 -7.619 5.531 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.245 -10.293 6.819 1.00 0.29 H new ATOM 0 HB3 PRO A 221 -0.131 -9.979 5.503 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.807 -10.560 7.928 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.614 -9.356 6.944 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.284 -8.934 9.262 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.207 -8.088 8.899 1.00 0.26 H new ATOM 236 N ALA A 222 -3.098 -7.137 6.855 1.00 0.20 N ATOM 237 CA ALA A 222 -4.517 -6.904 6.674 1.00 0.19 C ATOM 238 C ALA A 222 -4.832 -5.435 6.876 1.00 0.15 C ATOM 239 O ALA A 222 -5.127 -4.986 7.989 1.00 0.17 O ATOM 240 CB ALA A 222 -5.351 -7.757 7.613 1.00 0.24 C ATOM 0 H ALA A 222 -2.635 -6.453 7.454 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.775 -7.191 5.655 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.409 -7.553 7.447 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.150 -8.811 7.422 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -5.094 -7.520 8.645 1.00 0.24 H new ATOM 246 N TYR A 223 -4.781 -4.694 5.788 1.00 0.12 N ATOM 247 CA TYR A 223 -5.119 -3.287 5.813 1.00 0.11 C ATOM 248 C TYR A 223 -6.637 -3.151 5.807 1.00 0.13 C ATOM 249 O TYR A 223 -7.327 -3.870 5.075 1.00 0.17 O ATOM 250 CB TYR A 223 -4.508 -2.565 4.605 1.00 0.12 C ATOM 251 CG TYR A 223 -2.997 -2.401 4.641 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.215 -3.264 5.395 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.354 -1.375 3.958 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.840 -3.115 5.463 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.979 -1.222 4.027 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.227 -2.103 4.635 1.00 0.16 C ATOM 257 OH TYR A 223 1.137 -1.947 4.862 1.00 0.21 O ATOM 0 H TYR A 223 -4.507 -5.046 4.871 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.713 -2.827 6.714 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.776 -3.113 3.702 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.962 -1.577 4.525 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.688 -4.068 5.940 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.936 -0.686 3.364 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.244 -3.736 6.115 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.519 -0.358 3.570 1.00 0.20 H new ATOM 0 HH TYR A 223 1.370 -0.996 4.816 1.00 0.21 H new ATOM 267 N GLN A 224 -7.154 -2.304 6.684 1.00 0.15 N ATOM 268 CA GLN A 224 -8.592 -2.141 6.835 1.00 0.18 C ATOM 269 C GLN A 224 -9.044 -0.794 6.296 1.00 0.17 C ATOM 270 O GLN A 224 -8.857 0.235 6.947 1.00 0.22 O ATOM 271 CB GLN A 224 -8.987 -2.262 8.309 1.00 0.26 C ATOM 272 CG GLN A 224 -8.778 -3.652 8.889 1.00 0.34 C ATOM 273 CD GLN A 224 -9.811 -4.658 8.410 1.00 0.61 C ATOM 274 OE1 GLN A 224 -10.852 -4.180 7.744 1.00 1.42 O flip ATOM 275 NE2 GLN A 224 -9.682 -5.857 8.657 1.00 0.99 N flip ATOM 0 H GLN A 224 -6.597 -1.717 7.304 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.082 -2.929 6.263 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.408 -1.545 8.891 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.036 -1.987 8.418 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -7.783 -4.006 8.620 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -8.813 -3.594 9.977 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -8.866 -6.187 9.173 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.391 -6.521 8.346 1.00 0.99 H new ATOM 284 N VAL A 225 -9.657 -0.801 5.118 1.00 0.16 N ATOM 285 CA VAL A 225 -10.162 0.425 4.525 1.00 0.18 C ATOM 286 C VAL A 225 -11.277 0.985 5.369 1.00 0.24 C ATOM 287 O VAL A 225 -12.337 0.383 5.450 1.00 0.30 O ATOM 288 CB VAL A 225 -10.754 0.223 3.112 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.978 1.572 2.433 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.890 -0.683 2.256 1.00 0.77 C ATOM 0 H VAL A 225 -9.814 -1.640 4.559 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.303 1.093 4.465 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.717 -0.275 3.225 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.395 1.414 1.439 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.671 2.168 3.027 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -10.028 2.099 2.348 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.345 -0.796 1.272 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.898 -0.245 2.149 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.805 -1.660 2.731 1.00 0.77 H new ATOM 300 N SER A 226 -11.162 2.229 5.746 1.00 0.26 N ATOM 301 CA SER A 226 -12.327 2.917 6.225 1.00 0.33 C ATOM 302 C SER A 226 -13.098 3.351 4.984 1.00 0.32 C ATOM 303 O SER A 226 -12.538 4.048 4.137 1.00 0.32 O ATOM 304 CB SER A 226 -11.935 4.111 7.090 1.00 0.42 C ATOM 305 OG SER A 226 -13.068 4.692 7.714 1.00 1.20 O ATOM 0 H SER A 226 -10.300 2.774 5.732 1.00 0.26 H new ATOM 0 HA SER A 226 -12.940 2.276 6.858 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.222 3.793 7.851 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.433 4.858 6.475 1.00 0.42 H new ATOM 0 HG SER A 226 -12.785 5.453 8.263 1.00 1.20 H new ATOM 311 N LYS A 227 -14.172 2.625 4.709 1.00 0.34 N ATOM 312 CA LYS A 227 -14.825 2.669 3.403 1.00 0.37 C ATOM 313 C LYS A 227 -15.007 4.095 2.886 1.00 0.42 C ATOM 314 O LYS A 227 -15.561 4.959 3.564 1.00 0.48 O ATOM 315 CB LYS A 227 -16.187 1.960 3.446 1.00 0.44 C ATOM 316 CG LYS A 227 -17.302 2.810 4.045 1.00 0.95 C ATOM 317 CD LYS A 227 -18.652 2.109 4.045 1.00 0.93 C ATOM 318 CE LYS A 227 -19.007 1.546 2.687 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.478 1.466 2.498 1.00 1.54 N ATOM 0 H LYS A 227 -14.614 1.993 5.376 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.164 2.146 2.712 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.468 1.670 2.434 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.091 1.042 4.026 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.038 3.077 5.068 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.383 3.741 3.484 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.640 1.303 4.778 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -19.424 2.812 4.357 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.573 2.172 1.908 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -18.571 0.553 2.578 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.686 1.076 1.557 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -20.889 0.849 3.227 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.890 2.417 2.577 1.00 1.54 H new ATOM 333 N GLY A 228 -14.468 4.339 1.699 1.00 0.46 N ATOM 334 CA GLY A 228 -14.569 5.647 1.076 1.00 0.57 C ATOM 335 C GLY A 228 -13.923 6.752 1.891 1.00 0.57 C ATOM 336 O GLY A 228 -13.978 7.921 1.523 1.00 0.70 O ATOM 0 H GLY A 228 -13.957 3.647 1.150 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.101 5.610 0.092 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.621 5.887 0.920 1.00 0.57 H new ATOM 340 N HIS A 229 -13.220 6.365 2.940 1.00 0.47 N ATOM 341 CA HIS A 229 -12.464 7.306 3.745 1.00 0.53 C ATOM 342 C HIS A 229 -11.020 7.264 3.306 1.00 0.54 C ATOM 343 O HIS A 229 -10.149 7.889 3.910 1.00 1.02 O ATOM 344 CB HIS A 229 -12.586 6.969 5.231 1.00 0.55 C ATOM 345 CG HIS A 229 -13.900 7.365 5.835 1.00 1.32 C ATOM 346 ND1 HIS A 229 -15.109 6.847 5.426 1.00 1.94 N ATOM 347 CD2 HIS A 229 -14.189 8.243 6.823 1.00 2.31 C ATOM 348 CE1 HIS A 229 -16.082 7.391 6.129 1.00 2.66 C ATOM 349 NE2 HIS A 229 -15.552 8.241 6.986 1.00 2.89 N ATOM 0 H HIS A 229 -13.157 5.397 3.256 1.00 0.47 H new ATOM 0 HA HIS A 229 -12.862 8.311 3.603 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.444 5.896 5.364 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.782 7.466 5.774 1.00 0.55 H new ATOM 0 HD1 HIS A 229 -15.232 6.150 4.692 1.00 1.94 H new ATOM 0 HD2 HIS A 229 -13.479 8.836 7.380 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -17.135 7.177 6.021 1.00 2.66 H new ATOM 358 N LYS A 230 -10.798 6.496 2.241 1.00 0.30 N ATOM 359 CA LYS A 230 -9.481 6.310 1.642 1.00 0.28 C ATOM 360 C LYS A 230 -8.570 5.535 2.582 1.00 0.24 C ATOM 361 O LYS A 230 -8.102 6.075 3.587 1.00 0.28 O ATOM 362 CB LYS A 230 -8.825 7.658 1.301 1.00 0.36 C ATOM 363 CG LYS A 230 -9.688 8.583 0.463 1.00 1.00 C ATOM 364 CD LYS A 230 -8.988 9.908 0.209 1.00 1.23 C ATOM 365 CE LYS A 230 -9.858 10.851 -0.605 1.00 1.65 C ATOM 366 NZ LYS A 230 -11.122 11.196 0.098 1.00 2.24 N ATOM 0 H LYS A 230 -11.538 5.980 1.765 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.621 5.745 0.721 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.565 8.166 2.229 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -7.893 7.470 0.768 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.922 8.104 -0.488 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.635 8.761 0.972 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -8.735 10.375 1.161 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -8.051 9.730 -0.318 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -9.302 11.764 -0.817 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -10.092 10.390 -1.564 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -11.569 12.010 -0.370 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -11.769 10.382 0.069 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -10.914 11.438 1.088 1.00 2.24 H new ATOM 380 N ILE A 231 -8.258 4.299 2.231 1.00 0.20 N ATOM 381 CA ILE A 231 -7.346 3.524 3.063 1.00 0.17 C ATOM 382 C ILE A 231 -5.905 3.816 2.673 1.00 0.16 C ATOM 383 O ILE A 231 -5.583 3.944 1.502 1.00 0.17 O ATOM 384 CB ILE A 231 -7.597 2.007 2.981 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.573 1.273 3.851 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.505 1.527 1.545 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.774 -0.214 3.922 1.00 0.19 C ATOM 0 H ILE A 231 -8.609 3.819 1.402 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.532 3.830 4.093 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.601 1.794 3.347 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.574 1.475 3.464 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.612 1.682 4.861 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.685 0.453 1.508 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.252 2.041 0.941 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.511 1.742 1.153 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -6.006 -0.655 4.558 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.758 -0.429 4.339 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.704 -0.639 2.921 1.00 0.19 H new ATOM 399 N ARG A 232 -5.071 4.029 3.662 1.00 0.17 N ATOM 400 CA ARG A 232 -3.696 4.415 3.421 1.00 0.17 C ATOM 401 C ARG A 232 -2.760 3.241 3.687 1.00 0.15 C ATOM 402 O ARG A 232 -2.823 2.627 4.754 1.00 0.19 O ATOM 403 CB ARG A 232 -3.363 5.606 4.316 1.00 0.22 C ATOM 404 CG ARG A 232 -4.208 6.835 4.012 1.00 0.34 C ATOM 405 CD ARG A 232 -4.105 7.882 5.106 1.00 0.77 C ATOM 406 NE ARG A 232 -2.787 8.512 5.178 1.00 1.44 N ATOM 407 CZ ARG A 232 -2.460 9.423 6.094 1.00 2.13 C ATOM 408 NH1 ARG A 232 -3.343 9.783 7.018 1.00 2.48 N ATOM 409 NH2 ARG A 232 -1.250 9.971 6.092 1.00 3.14 N ATOM 0 H ARG A 232 -5.319 3.942 4.647 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.564 4.703 2.378 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.508 5.322 5.358 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.309 5.858 4.198 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.889 7.269 3.064 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.250 6.538 3.892 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -4.859 8.651 4.937 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -4.332 7.419 6.066 1.00 0.77 H new ATOM 0 HE ARG A 232 -2.082 8.240 4.492 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -4.272 9.362 7.027 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -3.092 10.480 7.719 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -0.566 9.695 5.387 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -1.005 10.668 6.795 1.00 3.14 H new ATOM 423 N LEU A 233 -1.892 2.917 2.725 1.00 0.13 N ATOM 424 CA LEU A 233 -0.987 1.808 2.896 1.00 0.14 C ATOM 425 C LEU A 233 0.301 2.328 3.492 1.00 0.13 C ATOM 426 O LEU A 233 1.160 2.838 2.782 1.00 0.13 O ATOM 427 CB LEU A 233 -0.736 1.107 1.548 1.00 0.15 C ATOM 428 CG LEU A 233 -1.844 0.139 1.083 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.164 0.860 0.847 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.421 -0.595 -0.178 1.00 0.23 C ATOM 0 H LEU A 233 -1.807 3.408 1.835 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.422 1.069 3.569 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.600 1.870 0.782 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.200 0.553 1.616 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.996 -0.585 1.884 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.917 0.143 0.521 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.491 1.333 1.773 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.031 1.621 0.078 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.216 -1.272 -0.489 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.228 0.127 -0.972 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.515 -1.167 0.021 1.00 0.23 H new ATOM 442 N THR A 234 0.356 2.316 4.810 1.00 0.14 N ATOM 443 CA THR A 234 1.465 2.904 5.527 1.00 0.16 C ATOM 444 C THR A 234 2.540 1.869 5.791 1.00 0.16 C ATOM 445 O THR A 234 2.244 0.701 6.036 1.00 0.22 O ATOM 446 CB THR A 234 0.989 3.526 6.852 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.089 4.437 6.591 1.00 0.33 O ATOM 448 CG2 THR A 234 2.119 4.266 7.553 1.00 0.24 C ATOM 0 H THR A 234 -0.360 1.902 5.407 1.00 0.14 H new ATOM 0 HA THR A 234 1.888 3.694 4.906 1.00 0.16 H new ATOM 0 HB THR A 234 0.651 2.721 7.505 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.394 4.833 7.434 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.750 4.694 8.485 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.931 3.571 7.768 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.486 5.064 6.908 1.00 0.24 H new ATOM 456 N VAL A 235 3.777 2.276 5.602 1.00 0.14 N ATOM 457 CA VAL A 235 4.914 1.388 5.728 1.00 0.14 C ATOM 458 C VAL A 235 6.101 2.157 6.260 1.00 0.14 C ATOM 459 O VAL A 235 6.311 3.301 5.884 1.00 0.16 O ATOM 460 CB VAL A 235 5.309 0.777 4.366 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.200 -0.098 3.828 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.616 1.883 3.379 1.00 0.14 C ATOM 0 H VAL A 235 4.024 3.235 5.356 1.00 0.14 H new ATOM 0 HA VAL A 235 4.631 0.586 6.409 1.00 0.14 H new ATOM 0 HB VAL A 235 6.196 0.160 4.508 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.501 -0.517 2.868 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.001 -0.907 4.531 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.297 0.499 3.696 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.894 1.447 2.419 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.734 2.511 3.250 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.441 2.488 3.756 1.00 0.14 H new ATOM 472 N GLU A 236 6.983 1.465 6.930 1.00 0.13 N ATOM 473 CA GLU A 236 8.265 2.033 7.235 1.00 0.13 C ATOM 474 C GLU A 236 9.196 1.624 6.116 1.00 0.13 C ATOM 475 O GLU A 236 9.211 0.462 5.728 1.00 0.17 O ATOM 476 CB GLU A 236 8.771 1.525 8.585 1.00 0.18 C ATOM 477 CG GLU A 236 10.169 1.998 8.935 1.00 0.29 C ATOM 478 CD GLU A 236 10.281 3.492 9.117 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.973 4.232 8.169 1.00 1.18 O ATOM 480 OE2 GLU A 236 10.718 3.928 10.200 1.00 1.05 O ATOM 0 H GLU A 236 6.838 0.515 7.272 1.00 0.13 H new ATOM 0 HA GLU A 236 8.207 3.119 7.311 1.00 0.13 H new ATOM 0 HB2 GLU A 236 8.082 1.849 9.365 1.00 0.18 H new ATOM 0 HB3 GLU A 236 8.757 0.435 8.580 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.490 1.505 9.853 1.00 0.29 H new ATOM 0 HG3 GLU A 236 10.856 1.685 8.148 1.00 0.29 H new ATOM 487 N LEU A 237 9.791 2.589 5.452 1.00 0.13 N ATOM 488 CA LEU A 237 10.572 2.301 4.264 1.00 0.15 C ATOM 489 C LEU A 237 12.018 2.025 4.610 1.00 0.17 C ATOM 490 O LEU A 237 12.561 2.617 5.529 1.00 0.19 O ATOM 491 CB LEU A 237 10.499 3.453 3.269 1.00 0.17 C ATOM 492 CG LEU A 237 9.523 3.254 2.113 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.517 4.477 1.217 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.898 2.019 1.315 1.00 0.55 C ATOM 0 H LEU A 237 9.752 3.575 5.710 1.00 0.13 H new ATOM 0 HA LEU A 237 10.144 1.408 3.807 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.220 4.359 3.807 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.495 3.620 2.858 1.00 0.17 H new ATOM 0 HG LEU A 237 8.522 3.114 2.521 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.817 4.323 0.396 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.213 5.350 1.795 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.517 4.639 0.815 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.194 1.889 0.493 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.905 2.137 0.914 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.865 1.143 1.963 1.00 0.55 H new ATOM 506 N ALA A 238 12.657 1.197 3.800 1.00 0.19 N ATOM 507 CA ALA A 238 14.092 0.985 3.895 1.00 0.21 C ATOM 508 C ALA A 238 14.790 2.072 3.096 1.00 0.23 C ATOM 509 O ALA A 238 15.841 2.583 3.481 1.00 0.28 O ATOM 510 CB ALA A 238 14.465 -0.391 3.371 1.00 0.25 C ATOM 0 H ALA A 238 12.201 0.657 3.064 1.00 0.19 H new ATOM 0 HA ALA A 238 14.406 1.034 4.938 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.543 -0.531 3.450 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.956 -1.155 3.959 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.164 -0.477 2.327 1.00 0.25 H new ATOM 516 N ASP A 239 14.120 2.480 2.021 1.00 0.22 N ATOM 517 CA ASP A 239 14.584 3.572 1.165 1.00 0.25 C ATOM 518 C ASP A 239 14.459 4.910 1.872 1.00 0.25 C ATOM 519 O ASP A 239 15.284 5.800 1.675 1.00 0.34 O ATOM 520 CB ASP A 239 13.792 3.614 -0.142 1.00 0.31 C ATOM 521 CG ASP A 239 14.368 2.685 -1.195 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.363 1.455 -0.976 1.00 1.19 O ATOM 523 OD2 ASP A 239 14.802 3.170 -2.253 1.00 1.28 O ATOM 0 H ASP A 239 13.240 2.064 1.718 1.00 0.22 H new ATOM 0 HA ASP A 239 15.634 3.386 0.941 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.756 3.339 0.055 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.783 4.634 -0.526 1.00 0.31 H new ATOM 528 N HIS A 240 13.390 5.049 2.659 1.00 0.27 N ATOM 529 CA HIS A 240 13.096 6.272 3.423 1.00 0.39 C ATOM 530 C HIS A 240 12.550 7.383 2.532 1.00 0.47 C ATOM 531 O HIS A 240 11.556 8.020 2.874 1.00 0.70 O ATOM 532 CB HIS A 240 14.327 6.787 4.188 1.00 0.46 C ATOM 533 CG HIS A 240 14.856 5.834 5.217 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.572 4.533 5.451 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.814 6.186 6.139 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 15.363 4.122 6.495 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 16.102 5.141 6.891 1.00 0.48 N flip ATOM 0 H HIS A 240 12.696 4.312 2.788 1.00 0.27 H new ATOM 0 HA HIS A 240 12.329 5.995 4.146 1.00 0.39 H new ATOM 0 HB2 HIS A 240 15.119 7.007 3.472 1.00 0.46 H new ATOM 0 HB3 HIS A 240 14.069 7.726 4.678 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.895 3.962 4.945 1.00 0.56 H new ATOM 0 HD2 HIS A 240 16.261 7.165 6.233 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.378 3.130 6.921 1.00 0.57 H new ATOM 546 N ASP A 241 13.203 7.631 1.408 1.00 0.41 N ATOM 547 CA ASP A 241 12.788 8.702 0.510 1.00 0.51 C ATOM 548 C ASP A 241 12.801 8.249 -0.941 1.00 0.44 C ATOM 549 O ASP A 241 13.384 8.894 -1.815 1.00 0.78 O ATOM 550 CB ASP A 241 13.651 9.955 0.702 1.00 0.80 C ATOM 551 CG ASP A 241 15.129 9.661 0.867 1.00 1.53 C ATOM 552 OD1 ASP A 241 15.724 9.093 -0.073 1.00 2.22 O ATOM 553 OD2 ASP A 241 15.703 9.977 1.929 1.00 2.08 O ATOM 0 H ASP A 241 14.021 7.108 1.094 1.00 0.41 H new ATOM 0 HA ASP A 241 11.761 8.961 0.766 1.00 0.51 H new ATOM 0 HB2 ASP A 241 13.515 10.614 -0.156 1.00 0.80 H new ATOM 0 HB3 ASP A 241 13.298 10.497 1.579 1.00 0.80 H new ATOM 558 N ALA A 242 12.040 7.206 -1.203 1.00 0.33 N ATOM 559 CA ALA A 242 11.853 6.711 -2.553 1.00 0.30 C ATOM 560 C ALA A 242 10.378 6.624 -2.885 1.00 0.24 C ATOM 561 O ALA A 242 9.545 6.431 -1.995 1.00 0.28 O ATOM 562 CB ALA A 242 12.494 5.349 -2.711 1.00 0.38 C ATOM 0 H ALA A 242 11.535 6.679 -0.490 1.00 0.33 H new ATOM 0 HA ALA A 242 12.330 7.409 -3.241 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.344 4.992 -3.730 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.562 5.423 -2.506 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.038 4.649 -2.011 1.00 0.38 H new ATOM 568 N GLU A 243 10.068 6.691 -4.172 1.00 0.26 N ATOM 569 CA GLU A 243 8.705 6.508 -4.637 1.00 0.30 C ATOM 570 C GLU A 243 8.302 5.056 -4.461 1.00 0.25 C ATOM 571 O GLU A 243 8.932 4.159 -5.024 1.00 0.25 O ATOM 572 CB GLU A 243 8.582 6.883 -6.113 1.00 0.39 C ATOM 573 CG GLU A 243 8.919 8.327 -6.426 1.00 0.67 C ATOM 574 CD GLU A 243 8.927 8.587 -7.915 1.00 1.10 C ATOM 575 OE1 GLU A 243 7.919 8.269 -8.583 1.00 1.56 O ATOM 576 OE2 GLU A 243 9.938 9.118 -8.422 1.00 1.64 O ATOM 0 H GLU A 243 10.746 6.871 -4.913 1.00 0.26 H new ATOM 0 HA GLU A 243 8.051 7.154 -4.052 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.238 6.236 -6.695 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.563 6.682 -6.442 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.193 8.983 -5.946 1.00 0.67 H new ATOM 0 HG3 GLU A 243 9.895 8.572 -6.008 1.00 0.67 H new ATOM 583 N VAL A 244 7.243 4.820 -3.715 1.00 0.24 N ATOM 584 CA VAL A 244 6.770 3.468 -3.522 1.00 0.21 C ATOM 585 C VAL A 244 5.698 3.127 -4.541 1.00 0.20 C ATOM 586 O VAL A 244 4.663 3.789 -4.624 1.00 0.23 O ATOM 587 CB VAL A 244 6.239 3.227 -2.087 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.394 3.223 -1.100 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.193 4.276 -1.694 1.00 0.27 C ATOM 0 H VAL A 244 6.699 5.539 -3.238 1.00 0.24 H new ATOM 0 HA VAL A 244 7.626 2.809 -3.666 1.00 0.21 H new ATOM 0 HB VAL A 244 5.750 2.253 -2.063 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.012 3.053 -0.093 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.093 2.429 -1.362 1.00 0.24 H new ATOM 0 HG13 VAL A 244 7.907 4.184 -1.136 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.841 4.078 -0.682 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.641 5.269 -1.735 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.352 4.228 -2.386 1.00 0.27 H new ATOM 599 N LYS A 245 5.921 2.043 -5.260 1.00 0.18 N ATOM 600 CA LYS A 245 4.912 1.512 -6.152 1.00 0.19 C ATOM 601 C LYS A 245 4.264 0.335 -5.460 1.00 0.15 C ATOM 602 O LYS A 245 4.817 -0.204 -4.505 1.00 0.16 O ATOM 603 CB LYS A 245 5.505 1.099 -7.504 1.00 0.30 C ATOM 604 CG LYS A 245 5.526 2.213 -8.542 1.00 0.89 C ATOM 605 CD LYS A 245 6.558 3.283 -8.223 1.00 1.51 C ATOM 606 CE LYS A 245 6.487 4.420 -9.229 1.00 2.00 C ATOM 607 NZ LYS A 245 7.613 5.380 -9.085 1.00 2.79 N ATOM 0 H LYS A 245 6.793 1.514 -5.243 1.00 0.18 H new ATOM 0 HA LYS A 245 4.172 2.282 -6.369 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.524 0.743 -7.348 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.932 0.260 -7.899 1.00 0.30 H new ATOM 0 HG2 LYS A 245 5.739 1.788 -9.523 1.00 0.89 H new ATOM 0 HG3 LYS A 245 4.538 2.670 -8.600 1.00 0.89 H new ATOM 0 HD2 LYS A 245 6.388 3.670 -7.218 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.556 2.846 -8.232 1.00 1.51 H new ATOM 0 HE2 LYS A 245 6.492 4.008 -10.238 1.00 2.00 H new ATOM 0 HE3 LYS A 245 5.543 4.951 -9.106 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 7.236 6.333 -8.907 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 8.215 5.092 -8.288 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 8.176 5.388 -9.959 1.00 2.79 H new ATOM 621 N TRP A 246 3.027 0.061 -5.751 1.00 0.14 N ATOM 622 CA TRP A 246 2.347 -0.958 -4.985 1.00 0.13 C ATOM 623 C TRP A 246 1.720 -1.953 -5.924 1.00 0.14 C ATOM 624 O TRP A 246 1.878 -1.855 -7.133 1.00 0.14 O ATOM 625 CB TRP A 246 1.352 -0.348 -3.974 1.00 0.14 C ATOM 626 CG TRP A 246 2.028 0.595 -3.002 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.622 1.779 -3.324 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.213 0.443 -1.576 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.172 2.352 -2.216 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.936 1.570 -1.138 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.849 -0.511 -0.619 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.305 1.767 0.183 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.221 -0.296 0.704 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.939 0.834 1.082 1.00 0.15 C ATOM 0 H TRP A 246 2.478 0.507 -6.486 1.00 0.14 H new ATOM 0 HA TRP A 246 3.071 -1.496 -4.373 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.571 0.188 -4.514 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.863 -1.149 -3.420 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.653 2.203 -4.317 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.683 3.235 -2.202 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.293 -1.393 -0.901 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.867 2.640 0.481 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 1.946 -1.022 1.454 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.209 0.966 2.119 1.00 0.15 H new ATOM 645 N LEU A 247 1.306 -3.053 -5.393 1.00 0.15 N ATOM 646 CA LEU A 247 0.860 -4.140 -6.217 1.00 0.14 C ATOM 647 C LEU A 247 -0.560 -4.499 -5.800 1.00 0.15 C ATOM 648 O LEU A 247 -0.834 -4.654 -4.627 1.00 0.16 O ATOM 649 CB LEU A 247 1.827 -5.323 -6.033 1.00 0.15 C ATOM 650 CG LEU A 247 2.694 -5.746 -7.233 1.00 0.16 C ATOM 651 CD1 LEU A 247 2.078 -6.940 -7.954 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.912 -4.590 -8.194 1.00 0.17 C ATOM 0 H LEU A 247 1.265 -3.230 -4.389 1.00 0.15 H new ATOM 0 HA LEU A 247 0.853 -3.870 -7.273 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.496 -5.081 -5.207 1.00 0.15 H new ATOM 0 HB3 LEU A 247 1.240 -6.188 -5.725 1.00 0.15 H new ATOM 0 HG LEU A 247 3.669 -6.045 -6.847 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.708 -7.220 -8.798 1.00 0.21 H new ATOM 0 HD12 LEU A 247 2.000 -7.781 -7.265 1.00 0.21 H new ATOM 0 HD13 LEU A 247 1.085 -6.674 -8.316 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.528 -4.923 -9.030 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.949 -4.242 -8.569 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.415 -3.775 -7.674 1.00 0.17 H new ATOM 664 N LYS A 248 -1.440 -4.704 -6.749 1.00 0.19 N ATOM 665 CA LYS A 248 -2.769 -5.199 -6.436 1.00 0.25 C ATOM 666 C LYS A 248 -2.668 -6.707 -6.464 1.00 0.25 C ATOM 667 O LYS A 248 -1.746 -7.206 -7.090 1.00 0.21 O ATOM 668 CB LYS A 248 -3.781 -4.714 -7.484 1.00 0.34 C ATOM 669 CG LYS A 248 -5.236 -4.943 -7.113 1.00 0.77 C ATOM 670 CD LYS A 248 -6.154 -4.631 -8.286 1.00 0.95 C ATOM 671 CE LYS A 248 -7.620 -4.617 -7.876 1.00 1.57 C ATOM 672 NZ LYS A 248 -7.981 -3.377 -7.136 1.00 2.06 N ATOM 0 H LYS A 248 -1.267 -4.539 -7.741 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.111 -4.838 -5.466 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -3.626 -3.648 -7.653 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.577 -5.219 -8.428 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.377 -5.978 -6.802 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.501 -4.315 -6.262 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -5.886 -3.662 -8.708 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.004 -5.373 -9.071 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -8.246 -4.704 -8.764 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -7.830 -5.486 -7.252 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -8.952 -3.460 -6.773 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -7.324 -3.244 -6.341 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.919 -2.560 -7.777 1.00 2.06 H new ATOM 686 N ASN A 249 -3.438 -7.419 -5.647 1.00 0.34 N ATOM 687 CA ASN A 249 -3.260 -8.870 -5.541 1.00 0.40 C ATOM 688 C ASN A 249 -3.068 -9.495 -6.920 1.00 0.35 C ATOM 689 O ASN A 249 -3.972 -9.487 -7.753 1.00 0.35 O ATOM 690 CB ASN A 249 -4.422 -9.552 -4.787 1.00 0.61 C ATOM 691 CG ASN A 249 -5.826 -9.253 -5.317 1.00 0.75 C ATOM 692 OD1 ASN A 249 -5.975 -8.255 -6.171 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -6.784 -9.910 -4.923 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.176 -7.030 -5.060 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.358 -9.037 -4.953 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -4.265 -10.630 -4.815 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.377 -9.251 -3.740 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -6.641 -10.675 -4.264 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -7.723 -9.691 -5.255 1.00 1.19 H new ATOM 700 N GLY A 250 -1.815 -9.846 -7.202 1.00 0.35 N ATOM 701 CA GLY A 250 -1.429 -10.303 -8.523 1.00 0.35 C ATOM 702 C GLY A 250 -1.043 -9.185 -9.492 1.00 0.33 C ATOM 703 O GLY A 250 -0.064 -9.324 -10.226 1.00 0.39 O ATOM 0 H GLY A 250 -1.051 -9.820 -6.526 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.587 -10.989 -8.425 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.254 -10.871 -8.953 1.00 0.35 H new ATOM 707 N GLN A 251 -1.841 -8.124 -9.578 1.00 0.30 N ATOM 708 CA GLN A 251 -1.596 -7.076 -10.574 1.00 0.36 C ATOM 709 C GLN A 251 -0.737 -5.941 -10.034 1.00 0.25 C ATOM 710 O GLN A 251 -0.487 -5.838 -8.848 1.00 0.28 O ATOM 711 CB GLN A 251 -2.878 -6.474 -11.124 1.00 0.52 C ATOM 712 CG GLN A 251 -3.750 -7.428 -11.937 1.00 1.28 C ATOM 713 CD GLN A 251 -4.451 -8.480 -11.094 1.00 2.00 C ATOM 714 OE1 GLN A 251 -3.893 -9.536 -10.801 1.00 2.77 O ATOM 715 NE2 GLN A 251 -5.674 -8.189 -10.684 1.00 2.59 N ATOM 0 H GLN A 251 -2.653 -7.965 -8.981 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.063 -7.586 -11.376 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.467 -6.091 -10.291 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -2.620 -5.621 -11.751 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -4.499 -6.850 -12.478 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -3.131 -7.926 -12.683 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -6.103 -7.302 -10.948 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -6.188 -8.851 -10.103 1.00 2.59 H new ATOM 724 N GLU A 252 -0.216 -5.141 -10.939 1.00 0.26 N ATOM 725 CA GLU A 252 0.727 -4.100 -10.583 1.00 0.25 C ATOM 726 C GLU A 252 0.064 -2.737 -10.406 1.00 0.27 C ATOM 727 O GLU A 252 -0.832 -2.363 -11.163 1.00 0.32 O ATOM 728 CB GLU A 252 1.825 -4.066 -11.626 1.00 0.32 C ATOM 729 CG GLU A 252 2.502 -5.417 -11.739 1.00 0.60 C ATOM 730 CD GLU A 252 2.048 -6.227 -12.938 1.00 1.05 C ATOM 731 OE1 GLU A 252 0.825 -6.406 -13.125 1.00 1.49 O ATOM 732 OE2 GLU A 252 2.917 -6.724 -13.683 1.00 1.60 O ATOM 0 H GLU A 252 -0.431 -5.192 -11.935 1.00 0.26 H new ATOM 0 HA GLU A 252 1.156 -4.335 -9.609 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.407 -3.782 -12.592 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.561 -3.307 -11.361 1.00 0.32 H new ATOM 0 HG2 GLU A 252 3.580 -5.269 -11.798 1.00 0.60 H new ATOM 0 HG3 GLU A 252 2.308 -5.988 -10.831 1.00 0.60 H new ATOM 739 N ILE A 253 0.435 -2.062 -9.323 1.00 0.23 N ATOM 740 CA ILE A 253 -0.172 -0.796 -8.941 1.00 0.27 C ATOM 741 C ILE A 253 0.834 0.370 -9.002 1.00 0.28 C ATOM 742 O ILE A 253 1.844 0.402 -8.277 1.00 0.28 O ATOM 743 CB ILE A 253 -0.793 -0.946 -7.532 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.220 -1.469 -7.635 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.744 0.332 -6.720 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.855 -1.730 -6.291 1.00 0.33 C ATOM 0 H ILE A 253 1.166 -2.379 -8.686 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.957 -0.549 -9.656 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.182 -1.671 -6.995 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.826 -0.747 -8.182 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.221 -2.391 -8.216 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.195 0.160 -5.743 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.293 0.642 -6.591 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.295 1.115 -7.241 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.870 -2.101 -6.434 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.270 -2.474 -5.750 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.884 -0.804 -5.717 1.00 0.33 H new ATOM 758 N GLN A 254 0.537 1.340 -9.859 1.00 0.36 N ATOM 759 CA GLN A 254 1.382 2.520 -10.001 1.00 0.43 C ATOM 760 C GLN A 254 1.033 3.562 -8.935 1.00 0.61 C ATOM 761 O GLN A 254 0.967 3.249 -7.746 1.00 1.42 O ATOM 762 CB GLN A 254 1.231 3.120 -11.405 1.00 0.70 C ATOM 763 CG GLN A 254 1.532 2.139 -12.528 1.00 1.00 C ATOM 764 CD GLN A 254 1.407 2.769 -13.902 1.00 1.75 C ATOM 765 OE1 GLN A 254 0.383 3.366 -14.236 1.00 2.63 O ATOM 766 NE2 GLN A 254 2.449 2.641 -14.709 1.00 2.21 N ATOM 0 H GLN A 254 -0.283 1.333 -10.466 1.00 0.36 H new ATOM 0 HA GLN A 254 2.420 2.219 -9.862 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.213 3.492 -11.523 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.897 3.978 -11.497 1.00 0.70 H new ATOM 0 HG2 GLN A 254 2.541 1.747 -12.402 1.00 1.00 H new ATOM 0 HG3 GLN A 254 0.850 1.291 -12.458 1.00 1.00 H new ATOM 0 HE21 GLN A 254 3.279 2.139 -14.394 1.00 2.21 H new ATOM 0 HE22 GLN A 254 2.422 3.045 -15.645 1.00 2.21 H new ATOM 775 N MET A 255 0.773 4.788 -9.371 1.00 0.59 N ATOM 776 CA MET A 255 0.394 5.864 -8.470 1.00 0.61 C ATOM 777 C MET A 255 -0.495 6.860 -9.208 1.00 0.65 C ATOM 778 O MET A 255 -0.314 7.093 -10.405 1.00 0.95 O ATOM 779 CB MET A 255 1.631 6.573 -7.895 1.00 0.95 C ATOM 780 CG MET A 255 2.465 7.328 -8.923 1.00 1.58 C ATOM 781 SD MET A 255 3.442 6.246 -9.987 1.00 2.30 S ATOM 782 CE MET A 255 4.132 7.443 -11.127 1.00 2.61 C ATOM 0 H MET A 255 0.819 5.061 -10.353 1.00 0.59 H new ATOM 0 HA MET A 255 -0.159 5.436 -7.634 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.307 7.273 -7.125 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.264 5.832 -7.407 1.00 0.95 H new ATOM 0 HG2 MET A 255 1.804 7.934 -9.542 1.00 1.58 H new ATOM 0 HG3 MET A 255 3.133 8.015 -8.404 1.00 1.58 H new ATOM 0 HE1 MET A 255 4.764 6.932 -11.853 1.00 2.61 H new ATOM 0 HE2 MET A 255 3.324 7.957 -11.648 1.00 2.61 H new ATOM 0 HE3 MET A 255 4.728 8.170 -10.575 1.00 2.61 H new ATOM 792 N SER A 256 -1.512 7.369 -8.525 1.00 0.57 N ATOM 793 CA SER A 256 -2.487 8.259 -9.143 1.00 0.69 C ATOM 794 C SER A 256 -3.168 9.131 -8.088 1.00 1.00 C ATOM 795 O SER A 256 -2.964 8.941 -6.887 1.00 1.47 O ATOM 796 CB SER A 256 -3.542 7.443 -9.901 1.00 0.76 C ATOM 797 OG SER A 256 -2.963 6.670 -10.937 1.00 1.64 O ATOM 0 H SER A 256 -1.684 7.180 -7.538 1.00 0.57 H new ATOM 0 HA SER A 256 -1.961 8.907 -9.845 1.00 0.69 H new ATOM 0 HB2 SER A 256 -4.063 6.786 -9.205 1.00 0.76 H new ATOM 0 HB3 SER A 256 -4.288 8.116 -10.323 1.00 0.76 H new ATOM 0 HG SER A 256 -1.998 6.837 -10.969 1.00 1.64 H new ATOM 803 N GLY A 257 -3.961 10.096 -8.544 1.00 1.01 N ATOM 804 CA GLY A 257 -4.670 10.974 -7.631 1.00 1.41 C ATOM 805 C GLY A 257 -5.949 10.350 -7.108 1.00 1.28 C ATOM 806 O GLY A 257 -6.331 10.561 -5.956 1.00 1.69 O ATOM 0 H GLY A 257 -4.125 10.286 -9.533 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -4.020 11.223 -6.792 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.906 11.909 -8.139 1.00 1.41 H new ATOM 810 N SER A 258 -6.636 9.624 -7.977 1.00 1.07 N ATOM 811 CA SER A 258 -7.897 8.984 -7.630 1.00 0.96 C ATOM 812 C SER A 258 -7.664 7.739 -6.778 1.00 0.74 C ATOM 813 O SER A 258 -8.351 7.509 -5.783 1.00 1.14 O ATOM 814 CB SER A 258 -8.647 8.625 -8.912 1.00 1.08 C ATOM 815 OG SER A 258 -7.756 8.097 -9.886 1.00 1.77 O ATOM 0 H SER A 258 -6.337 9.462 -8.939 1.00 1.07 H new ATOM 0 HA SER A 258 -8.496 9.678 -7.040 1.00 0.96 H new ATOM 0 HB2 SER A 258 -9.426 7.895 -8.691 1.00 1.08 H new ATOM 0 HB3 SER A 258 -9.143 9.511 -9.309 1.00 1.08 H new ATOM 0 HG SER A 258 -8.256 7.872 -10.698 1.00 1.77 H new ATOM 821 N LYS A 259 -6.659 6.967 -7.160 1.00 0.51 N ATOM 822 CA LYS A 259 -6.275 5.755 -6.445 1.00 0.37 C ATOM 823 C LYS A 259 -4.762 5.633 -6.441 1.00 0.33 C ATOM 824 O LYS A 259 -4.107 6.212 -7.297 1.00 0.45 O ATOM 825 CB LYS A 259 -6.910 4.505 -7.081 1.00 0.48 C ATOM 826 CG LYS A 259 -7.228 4.627 -8.572 1.00 1.11 C ATOM 827 CD LYS A 259 -5.978 4.668 -9.440 1.00 1.59 C ATOM 828 CE LYS A 259 -6.332 4.696 -10.918 1.00 2.02 C ATOM 829 NZ LYS A 259 -5.129 4.773 -11.790 1.00 2.41 N ATOM 0 H LYS A 259 -6.082 7.162 -7.978 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.640 5.825 -5.420 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.236 3.661 -6.937 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -7.831 4.272 -6.547 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -7.849 3.784 -8.877 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -7.812 5.531 -8.741 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -5.387 5.549 -9.189 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -5.358 3.797 -9.229 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -6.902 3.801 -11.169 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -6.977 5.552 -11.118 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -5.413 5.060 -12.749 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -4.464 5.472 -11.403 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -4.669 3.841 -11.829 1.00 2.41 H new ATOM 843 N TYR A 260 -4.209 4.913 -5.464 1.00 0.24 N ATOM 844 CA TYR A 260 -2.752 4.755 -5.355 1.00 0.27 C ATOM 845 C TYR A 260 -2.093 6.114 -5.116 1.00 0.27 C ATOM 846 O TYR A 260 -1.216 6.538 -5.867 1.00 0.29 O ATOM 847 CB TYR A 260 -2.148 4.112 -6.615 1.00 0.33 C ATOM 848 CG TYR A 260 -2.992 3.026 -7.245 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.680 2.128 -6.446 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.093 2.890 -8.624 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.445 1.120 -6.998 1.00 0.52 C ATOM 852 CE2 TYR A 260 -3.855 1.885 -9.186 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.556 1.061 -8.433 1.00 0.95 C ATOM 854 OH TYR A 260 -5.291 0.000 -8.927 1.00 1.24 O ATOM 0 H TYR A 260 -4.741 4.431 -4.739 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.560 4.093 -4.511 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.975 4.893 -7.356 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.175 3.693 -6.360 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.617 2.218 -5.372 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.567 3.581 -9.266 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -4.946 0.396 -6.372 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -3.877 1.772 -10.260 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.312 0.044 -9.906 1.00 1.24 H new ATOM 864 N ILE A 261 -2.581 6.817 -4.114 1.00 0.26 N ATOM 865 CA ILE A 261 -2.106 8.153 -3.793 1.00 0.27 C ATOM 866 C ILE A 261 -0.857 8.085 -2.912 1.00 0.28 C ATOM 867 O ILE A 261 -0.914 7.581 -1.796 1.00 0.35 O ATOM 868 CB ILE A 261 -3.206 8.926 -3.039 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.520 8.907 -3.820 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.773 10.350 -2.758 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.705 9.387 -3.011 1.00 0.39 C ATOM 0 H ILE A 261 -3.320 6.480 -3.497 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.859 8.663 -4.724 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.370 8.426 -2.084 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -4.417 9.533 -4.706 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.713 7.892 -4.167 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.567 10.873 -2.225 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.870 10.342 -2.147 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -2.570 10.861 -3.699 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.605 9.348 -3.625 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.833 8.747 -2.138 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -5.532 10.413 -2.686 1.00 0.39 H new ATOM 883 N PHE A 262 0.261 8.601 -3.392 1.00 0.30 N ATOM 884 CA PHE A 262 1.495 8.565 -2.612 1.00 0.32 C ATOM 885 C PHE A 262 1.477 9.592 -1.477 1.00 0.30 C ATOM 886 O PHE A 262 1.059 10.739 -1.659 1.00 0.37 O ATOM 887 CB PHE A 262 2.732 8.748 -3.511 1.00 0.46 C ATOM 888 CG PHE A 262 2.618 9.842 -4.544 1.00 0.63 C ATOM 889 CD1 PHE A 262 2.575 11.178 -4.173 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.562 9.529 -5.893 1.00 0.84 C ATOM 891 CE1 PHE A 262 2.478 12.175 -5.124 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.465 10.523 -6.847 1.00 1.09 C ATOM 893 CZ PHE A 262 2.423 11.847 -6.463 1.00 1.18 C ATOM 0 H PHE A 262 0.345 9.046 -4.306 1.00 0.30 H new ATOM 0 HA PHE A 262 1.560 7.577 -2.155 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.594 8.956 -2.878 1.00 0.46 H new ATOM 0 HB3 PHE A 262 2.932 7.807 -4.022 1.00 0.46 H new ATOM 0 HD1 PHE A 262 2.618 11.442 -3.127 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.595 8.495 -6.202 1.00 0.84 H new ATOM 0 HE1 PHE A 262 2.445 13.211 -4.820 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.422 10.263 -7.894 1.00 1.09 H new ATOM 0 HZ PHE A 262 2.347 12.625 -7.208 1.00 1.18 H new ATOM 903 N GLU A 263 1.873 9.147 -0.289 1.00 0.26 N ATOM 904 CA GLU A 263 1.887 9.995 0.897 1.00 0.30 C ATOM 905 C GLU A 263 3.054 9.579 1.794 1.00 0.28 C ATOM 906 O GLU A 263 3.432 8.409 1.804 1.00 0.33 O ATOM 907 CB GLU A 263 0.545 9.876 1.635 1.00 0.37 C ATOM 908 CG GLU A 263 0.261 11.020 2.594 1.00 0.56 C ATOM 909 CD GLU A 263 0.853 10.809 3.970 1.00 1.07 C ATOM 910 OE1 GLU A 263 1.021 9.642 4.380 1.00 1.79 O ATOM 911 OE2 GLU A 263 1.097 11.812 4.673 1.00 1.73 O ATOM 0 H GLU A 263 2.192 8.193 -0.122 1.00 0.26 H new ATOM 0 HA GLU A 263 2.022 11.039 0.613 1.00 0.30 H new ATOM 0 HB2 GLU A 263 -0.258 9.824 0.900 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.530 8.938 2.190 1.00 0.37 H new ATOM 0 HG2 GLU A 263 0.657 11.944 2.173 1.00 0.56 H new ATOM 0 HG3 GLU A 263 -0.817 11.148 2.686 1.00 0.56 H new ATOM 918 N SER A 264 3.758 10.552 2.359 1.00 0.34 N ATOM 919 CA SER A 264 5.015 10.262 3.043 1.00 0.36 C ATOM 920 C SER A 264 5.075 10.839 4.460 1.00 0.34 C ATOM 921 O SER A 264 4.755 12.008 4.685 1.00 0.39 O ATOM 922 CB SER A 264 6.179 10.806 2.212 1.00 0.46 C ATOM 923 OG SER A 264 5.925 12.135 1.782 1.00 1.41 O ATOM 0 H SER A 264 3.487 11.535 2.359 1.00 0.34 H new ATOM 0 HA SER A 264 5.086 9.179 3.143 1.00 0.36 H new ATOM 0 HB2 SER A 264 7.094 10.781 2.803 1.00 0.46 H new ATOM 0 HB3 SER A 264 6.341 10.165 1.345 1.00 0.46 H new ATOM 0 HG SER A 264 6.685 12.459 1.255 1.00 1.41 H new ATOM 929 N ILE A 265 5.612 10.046 5.382 1.00 0.31 N ATOM 930 CA ILE A 265 5.913 10.518 6.728 1.00 0.34 C ATOM 931 C ILE A 265 7.326 10.074 7.130 1.00 0.38 C ATOM 932 O ILE A 265 7.555 8.914 7.492 1.00 0.42 O ATOM 933 CB ILE A 265 4.866 10.049 7.767 1.00 0.42 C ATOM 934 CG1 ILE A 265 5.362 10.305 9.196 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.532 8.589 7.557 1.00 0.73 C ATOM 936 CD1 ILE A 265 4.387 9.867 10.269 1.00 1.31 C ATOM 0 H ILE A 265 5.849 9.067 5.219 1.00 0.31 H new ATOM 0 HA ILE A 265 5.868 11.607 6.716 1.00 0.34 H new ATOM 0 HB ILE A 265 3.954 10.629 7.625 1.00 0.42 H new ATOM 0 HG12 ILE A 265 6.307 9.782 9.342 1.00 0.82 H new ATOM 0 HG13 ILE A 265 5.565 11.369 9.315 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.795 8.275 8.295 1.00 0.73 H new ATOM 0 HG22 ILE A 265 4.125 8.449 6.556 1.00 0.73 H new ATOM 0 HG23 ILE A 265 5.435 7.989 7.668 1.00 0.73 H new ATOM 0 HD11 ILE A 265 4.808 10.080 11.252 1.00 1.31 H new ATOM 0 HD12 ILE A 265 3.448 10.408 10.151 1.00 1.31 H new ATOM 0 HD13 ILE A 265 4.202 8.797 10.178 1.00 1.31 H new ATOM 948 N GLY A 266 8.293 10.969 6.943 1.00 0.48 N ATOM 949 CA GLY A 266 9.684 10.616 7.168 1.00 0.65 C ATOM 950 C GLY A 266 10.121 9.508 6.235 1.00 0.86 C ATOM 951 O GLY A 266 9.855 9.569 5.029 1.00 1.93 O ATOM 0 H GLY A 266 8.138 11.931 6.640 1.00 0.48 H new ATOM 0 HA2 GLY A 266 10.314 11.493 7.017 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.820 10.300 8.202 1.00 0.65 H new ATOM 955 N ALA A 267 10.635 8.426 6.805 1.00 0.48 N ATOM 956 CA ALA A 267 10.901 7.228 6.027 1.00 0.39 C ATOM 957 C ALA A 267 9.604 6.541 5.678 1.00 0.30 C ATOM 958 O ALA A 267 9.491 5.914 4.626 1.00 0.32 O ATOM 959 CB ALA A 267 11.771 6.247 6.776 1.00 0.44 C ATOM 0 H ALA A 267 10.873 8.355 7.794 1.00 0.48 H new ATOM 0 HA ALA A 267 11.427 7.544 5.126 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.944 5.367 6.156 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.726 6.716 7.015 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.272 5.949 7.698 1.00 0.44 H new ATOM 965 N LYS A 268 8.666 6.573 6.617 1.00 0.26 N ATOM 966 CA LYS A 268 7.432 5.837 6.458 1.00 0.25 C ATOM 967 C LYS A 268 6.665 6.357 5.260 1.00 0.29 C ATOM 968 O LYS A 268 6.498 7.567 5.073 1.00 0.47 O ATOM 969 CB LYS A 268 6.570 5.914 7.719 1.00 0.28 C ATOM 970 CG LYS A 268 7.147 5.171 8.911 1.00 0.30 C ATOM 971 CD LYS A 268 6.185 5.201 10.085 1.00 0.41 C ATOM 972 CE LYS A 268 6.747 4.471 11.291 1.00 1.20 C ATOM 973 NZ LYS A 268 5.835 4.561 12.460 1.00 2.00 N ATOM 0 H LYS A 268 8.741 7.098 7.488 1.00 0.26 H new ATOM 0 HA LYS A 268 7.683 4.789 6.291 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.433 6.961 7.989 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.582 5.510 7.496 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.357 4.138 8.634 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.096 5.622 9.201 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.971 6.235 10.353 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.239 4.745 9.792 1.00 0.41 H new ATOM 0 HE2 LYS A 268 6.913 3.424 11.038 1.00 1.20 H new ATOM 0 HE3 LYS A 268 7.717 4.893 11.553 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.251 4.051 13.265 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 5.697 5.559 12.716 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 4.917 4.136 12.218 1.00 2.00 H new ATOM 987 N ARG A 269 6.297 5.442 4.396 1.00 0.16 N ATOM 988 CA ARG A 269 5.625 5.792 3.174 1.00 0.16 C ATOM 989 C ARG A 269 4.227 5.209 3.158 1.00 0.18 C ATOM 990 O ARG A 269 3.936 4.257 3.874 1.00 0.17 O ATOM 991 CB ARG A 269 6.432 5.331 1.959 1.00 0.20 C ATOM 992 CG ARG A 269 5.996 5.998 0.675 1.00 0.53 C ATOM 993 CD ARG A 269 6.125 7.519 0.730 1.00 0.79 C ATOM 994 NE ARG A 269 7.486 8.005 0.464 1.00 0.69 N ATOM 995 CZ ARG A 269 8.460 8.113 1.377 1.00 0.97 C ATOM 996 NH1 ARG A 269 8.244 7.781 2.645 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.643 8.591 1.025 1.00 1.17 N ATOM 0 H ARG A 269 6.455 4.442 4.521 1.00 0.16 H new ATOM 0 HA ARG A 269 5.541 6.877 3.121 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.488 5.540 2.130 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.334 4.251 1.853 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.596 5.616 -0.151 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.960 5.732 0.466 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.443 7.959 0.003 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.810 7.866 1.714 1.00 0.79 H new ATOM 0 HE ARG A 269 7.707 8.282 -0.492 1.00 0.69 H new ATOM 0 HH11 ARG A 269 7.327 7.439 2.934 1.00 1.85 H new ATOM 0 HH12 ARG A 269 8.995 7.868 3.330 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.811 8.876 0.060 1.00 1.17 H new ATOM 0 HH22 ARG A 269 10.386 8.674 1.719 1.00 1.17 H new ATOM 1011 N THR A 270 3.324 5.915 2.515 1.00 0.18 N ATOM 1012 CA THR A 270 1.929 5.559 2.554 1.00 0.18 C ATOM 1013 C THR A 270 1.304 5.605 1.164 1.00 0.19 C ATOM 1014 O THR A 270 1.399 6.614 0.454 1.00 0.22 O ATOM 1015 CB THR A 270 1.164 6.520 3.487 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.692 6.449 4.819 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.311 6.194 3.512 1.00 0.24 C ATOM 0 H THR A 270 3.535 6.742 1.957 1.00 0.18 H new ATOM 0 HA THR A 270 1.858 4.539 2.932 1.00 0.18 H new ATOM 0 HB THR A 270 1.292 7.531 3.100 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.146 5.837 5.355 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.826 6.887 4.178 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.721 6.285 2.506 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.452 5.174 3.870 1.00 0.24 H new ATOM 1025 N LEU A 271 0.611 4.532 0.818 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.133 4.475 -0.426 1.00 0.17 C ATOM 1027 C LEU A 271 -1.616 4.676 -0.133 1.00 0.16 C ATOM 1028 O LEU A 271 -2.283 3.771 0.345 1.00 0.17 O ATOM 1029 CB LEU A 271 0.095 3.121 -1.108 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.335 3.005 -2.577 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.830 2.754 -2.699 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.073 4.252 -3.348 1.00 0.49 C ATOM 0 H LEU A 271 0.549 3.686 1.385 1.00 0.17 H new ATOM 0 HA LEU A 271 0.211 5.263 -1.096 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.157 2.883 -1.045 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.436 2.359 -0.537 1.00 0.20 H new ATOM 0 HG LEU A 271 0.176 2.146 -3.012 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.101 2.677 -3.752 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.086 1.825 -2.189 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.376 3.580 -2.243 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.239 4.155 -4.388 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.405 5.126 -2.906 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.156 4.370 -3.303 1.00 0.49 H new ATOM 1044 N THR A 272 -2.126 5.860 -0.379 1.00 0.18 N ATOM 1045 CA THR A 272 -3.517 6.141 -0.093 1.00 0.21 C ATOM 1046 C THR A 272 -4.417 5.645 -1.226 1.00 0.22 C ATOM 1047 O THR A 272 -4.336 6.103 -2.360 1.00 0.29 O ATOM 1048 CB THR A 272 -3.743 7.642 0.154 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.708 8.152 1.006 1.00 0.33 O ATOM 1050 CG2 THR A 272 -5.095 7.887 0.804 1.00 0.30 C ATOM 0 H THR A 272 -1.604 6.642 -0.774 1.00 0.18 H new ATOM 0 HA THR A 272 -3.781 5.605 0.818 1.00 0.21 H new ATOM 0 HB THR A 272 -3.720 8.155 -0.808 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.853 9.109 1.160 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.231 8.956 0.968 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.885 7.517 0.151 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.139 7.364 1.759 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.268 4.703 -0.899 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.213 4.145 -1.843 1.00 0.26 C ATOM 1060 C ILE A 273 -7.588 4.754 -1.611 1.00 0.28 C ATOM 1061 O ILE A 273 -8.064 4.829 -0.470 1.00 0.27 O ATOM 1062 CB ILE A 273 -6.250 2.593 -1.739 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.566 1.971 -2.956 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.669 2.049 -1.595 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.273 2.266 -4.259 1.00 0.86 C ATOM 0 H ILE A 273 -5.327 4.298 0.035 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.894 4.391 -2.856 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.710 2.317 -0.833 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.542 2.339 -3.016 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.509 0.891 -2.819 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.637 0.962 -1.527 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -8.125 2.456 -0.692 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.260 2.340 -2.463 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.734 1.794 -5.080 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.289 1.873 -4.219 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.307 3.344 -4.419 1.00 0.86 H new ATOM 1077 N SER A 274 -8.171 5.285 -2.676 1.00 0.33 N ATOM 1078 CA SER A 274 -9.435 5.978 -2.578 1.00 0.39 C ATOM 1079 C SER A 274 -10.463 5.358 -3.518 1.00 0.45 C ATOM 1080 O SER A 274 -10.099 4.761 -4.535 1.00 0.50 O ATOM 1081 CB SER A 274 -9.252 7.465 -2.893 1.00 0.52 C ATOM 1082 OG SER A 274 -10.431 8.205 -2.616 1.00 1.13 O ATOM 0 H SER A 274 -7.783 5.246 -3.618 1.00 0.33 H new ATOM 0 HA SER A 274 -9.802 5.880 -1.556 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.425 7.863 -2.305 1.00 0.52 H new ATOM 0 HB3 SER A 274 -8.984 7.585 -3.943 1.00 0.52 H new ATOM 0 HG SER A 274 -10.484 8.974 -3.221 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.739 5.463 -3.140 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.837 4.899 -3.919 1.00 0.62 C ATOM 1090 C GLN A 275 -12.652 3.397 -4.058 1.00 0.62 C ATOM 1091 O GLN A 275 -12.629 2.856 -5.164 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.918 5.567 -5.298 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.154 7.068 -5.238 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.050 7.727 -6.601 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -11.974 7.782 -7.196 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -14.165 8.228 -7.106 1.00 2.27 N ATOM 0 H GLN A 275 -12.036 5.940 -2.289 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.775 5.089 -3.398 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.992 5.375 -5.840 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.723 5.104 -5.869 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -14.142 7.261 -4.819 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.427 7.520 -4.563 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -15.037 8.162 -6.581 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -14.153 8.680 -8.020 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.475 2.736 -2.922 1.00 0.60 N ATOM 1106 CA CYS A 276 -12.227 1.305 -2.892 1.00 0.69 C ATOM 1107 C CYS A 276 -12.775 0.763 -1.597 1.00 0.75 C ATOM 1108 O CYS A 276 -12.037 0.287 -0.736 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.727 1.001 -3.007 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.949 1.612 -4.524 1.00 2.00 S ATOM 0 H CYS A 276 -12.499 3.175 -2.002 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.719 0.830 -3.741 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -10.214 1.438 -2.150 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -10.583 -0.078 -2.949 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.984 2.911 -4.537 1.00 2.00 H new ATOM 1116 N SER A 277 -14.045 1.039 -1.388 1.00 0.54 N ATOM 1117 CA SER A 277 -14.682 0.732 -0.137 1.00 0.52 C ATOM 1118 C SER A 277 -15.112 -0.739 -0.096 1.00 0.48 C ATOM 1119 O SER A 277 -14.312 -1.636 -0.367 1.00 0.47 O ATOM 1120 CB SER A 277 -15.883 1.659 0.079 1.00 0.56 C ATOM 1121 OG SER A 277 -16.837 1.525 -0.964 1.00 0.63 O ATOM 0 H SER A 277 -14.655 1.478 -2.077 1.00 0.54 H new ATOM 0 HA SER A 277 -13.968 0.894 0.671 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.353 1.430 1.035 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.542 2.693 0.131 1.00 0.56 H new ATOM 0 HG SER A 277 -17.591 2.128 -0.797 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.375 -0.976 0.255 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.921 -2.323 0.377 1.00 0.54 C ATOM 1129 C LEU A 278 -17.090 -3.003 -0.983 1.00 0.58 C ATOM 1130 O LEU A 278 -18.214 -3.304 -1.393 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.270 -2.282 1.097 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.223 -2.573 2.597 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.754 -3.994 2.849 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.321 -1.583 3.313 1.00 0.79 C ATOM 0 H LEU A 278 -17.047 -0.238 0.463 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.207 -2.908 0.957 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.712 -1.296 0.949 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.936 -3.004 0.625 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.232 -2.464 2.995 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.727 -4.183 3.922 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.442 -4.694 2.374 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.756 -4.127 2.432 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.304 -1.811 4.379 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.311 -1.655 2.911 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.700 -0.572 3.164 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.986 -3.226 -1.687 1.00 0.53 N ATOM 1147 CA ALA A 279 -16.033 -3.862 -2.998 1.00 0.61 C ATOM 1148 C ALA A 279 -14.644 -4.274 -3.482 1.00 0.58 C ATOM 1149 O ALA A 279 -14.476 -5.361 -4.035 1.00 0.62 O ATOM 1150 CB ALA A 279 -16.680 -2.932 -4.015 1.00 0.71 C ATOM 0 H ALA A 279 -15.049 -2.976 -1.372 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.634 -4.766 -2.898 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -16.708 -3.421 -4.989 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.696 -2.696 -3.698 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -16.100 -2.012 -4.087 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.695 -3.349 -3.417 1.00 0.56 N ATOM 1157 CA ASP A 280 -12.372 -3.575 -4.003 1.00 0.59 C ATOM 1158 C ASP A 280 -11.472 -4.414 -3.096 1.00 0.50 C ATOM 1159 O ASP A 280 -10.395 -4.850 -3.515 1.00 0.70 O ATOM 1160 CB ASP A 280 -11.692 -2.243 -4.315 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.434 -2.415 -5.145 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -10.523 -2.951 -6.275 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -9.353 -2.014 -4.681 1.00 1.84 O ATOM 0 H ASP A 280 -13.811 -2.440 -2.969 1.00 0.56 H new ATOM 0 HA ASP A 280 -12.525 -4.134 -4.927 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -12.390 -1.598 -4.848 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -11.442 -1.739 -3.382 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.896 -4.594 -1.848 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.141 -5.325 -0.854 1.00 0.33 C ATOM 1170 C ASP A 281 -10.613 -6.664 -1.386 1.00 0.34 C ATOM 1171 O ASP A 281 -11.311 -7.385 -2.106 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.034 -5.546 0.360 1.00 0.40 C ATOM 1173 CG ASP A 281 -13.001 -6.706 0.198 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -13.994 -6.567 -0.554 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -12.775 -7.766 0.821 1.00 0.81 O ATOM 0 H ASP A 281 -12.784 -4.230 -1.502 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.264 -4.737 -0.582 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -11.408 -5.725 1.234 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -12.601 -4.635 0.555 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.354 -6.955 -1.062 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.674 -8.165 -1.528 1.00 0.37 C ATOM 1182 C ALA A 282 -7.283 -8.257 -0.904 1.00 0.35 C ATOM 1183 O ALA A 282 -7.155 -8.541 0.284 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.574 -8.183 -3.044 1.00 0.48 C ATOM 0 H ALA A 282 -8.776 -6.359 -0.469 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.261 -9.029 -1.218 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -8.065 -9.092 -3.364 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.575 -8.157 -3.475 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.010 -7.313 -3.382 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.251 -7.946 -1.684 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.889 -7.870 -1.164 1.00 0.17 C ATOM 1192 C ALA A 283 -4.072 -6.869 -1.974 1.00 0.15 C ATOM 1193 O ALA A 283 -4.133 -6.872 -3.201 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.224 -9.241 -1.173 1.00 0.22 C ATOM 0 H ALA A 283 -6.333 -7.742 -2.680 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.934 -7.528 -0.130 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.211 -9.156 -0.781 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.798 -9.928 -0.551 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.187 -9.621 -2.194 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.264 -6.056 -1.301 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.365 -5.132 -1.995 1.00 0.13 C ATOM 1202 C TYR A 284 -0.924 -5.352 -1.534 1.00 0.14 C ATOM 1203 O TYR A 284 -0.596 -5.171 -0.367 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.753 -3.649 -1.786 1.00 0.15 C ATOM 1205 CG TYR A 284 -3.887 -3.142 -2.666 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -4.828 -4.028 -3.203 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.040 -1.791 -2.944 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -5.870 -3.571 -3.981 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.088 -1.333 -3.714 1.00 0.32 C ATOM 1210 CZ TYR A 284 -5.918 -2.203 -4.316 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.054 -1.773 -4.977 1.00 0.41 O ATOM 0 H TYR A 284 -3.211 -6.016 -0.283 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.456 -5.347 -3.060 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.034 -3.508 -0.742 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -1.873 -3.032 -1.965 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.736 -5.086 -3.005 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.324 -1.085 -2.550 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.636 -4.249 -4.328 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.243 -0.271 -3.834 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.835 -1.893 -4.397 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.062 -5.694 -2.472 1.00 0.13 N ATOM 1222 CA GLN A 285 1.355 -5.844 -2.201 1.00 0.13 C ATOM 1223 C GLN A 285 2.069 -4.493 -2.307 1.00 0.12 C ATOM 1224 O GLN A 285 1.515 -3.530 -2.833 1.00 0.13 O ATOM 1225 CB GLN A 285 2.002 -6.835 -3.173 1.00 0.12 C ATOM 1226 CG GLN A 285 1.366 -8.215 -3.208 1.00 0.15 C ATOM 1227 CD GLN A 285 0.252 -8.355 -4.229 1.00 0.21 C ATOM 1228 OE1 GLN A 285 0.111 -7.383 -5.112 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.467 -9.352 -4.240 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.323 -5.875 -3.441 1.00 0.13 H new ATOM 0 HA GLN A 285 1.456 -6.229 -1.186 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.967 -6.411 -4.176 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.054 -6.944 -2.909 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.138 -8.954 -3.424 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.970 -8.447 -2.219 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.333 -10.085 -3.544 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.198 -9.446 -4.945 1.00 0.18 H new ATOM 1238 N CYS A 286 3.295 -4.433 -1.806 1.00 0.14 N ATOM 1239 CA CYS A 286 4.085 -3.205 -1.837 1.00 0.19 C ATOM 1240 C CYS A 286 5.377 -3.390 -2.579 1.00 0.19 C ATOM 1241 O CYS A 286 5.926 -4.484 -2.578 1.00 0.20 O ATOM 1242 CB CYS A 286 4.394 -2.769 -0.448 1.00 0.28 C ATOM 1243 SG CYS A 286 5.089 -4.056 0.613 1.00 1.00 S ATOM 0 H CYS A 286 3.768 -5.224 -1.370 1.00 0.14 H new ATOM 0 HA CYS A 286 3.492 -2.451 -2.354 1.00 0.19 H new ATOM 0 HB2 CYS A 286 5.095 -1.936 -0.491 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.480 -2.393 0.012 1.00 0.28 H new ATOM 0 HG CYS A 286 4.402 -5.151 0.473 1.00 1.00 H new ATOM 1249 N VAL A 287 5.759 -2.389 -3.368 1.00 0.20 N ATOM 1250 CA VAL A 287 6.837 -2.591 -4.312 1.00 0.21 C ATOM 1251 C VAL A 287 7.738 -1.359 -4.493 1.00 0.22 C ATOM 1252 O VAL A 287 7.293 -0.210 -4.563 1.00 0.24 O ATOM 1253 CB VAL A 287 6.259 -3.090 -5.666 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.779 -3.436 -5.501 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.458 -2.087 -6.792 1.00 0.27 C ATOM 0 H VAL A 287 5.347 -1.456 -3.369 1.00 0.20 H new ATOM 0 HA VAL A 287 7.492 -3.357 -3.897 1.00 0.21 H new ATOM 0 HB VAL A 287 6.812 -3.986 -5.949 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.379 -3.785 -6.453 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.670 -4.220 -4.752 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.232 -2.550 -5.181 1.00 0.18 H new ATOM 0 HG21 VAL A 287 6.036 -2.487 -7.714 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.958 -1.152 -6.539 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.523 -1.903 -6.931 1.00 0.27 H new ATOM 1265 N VAL A 288 9.027 -1.625 -4.582 1.00 0.24 N ATOM 1266 CA VAL A 288 10.015 -0.588 -4.812 1.00 0.26 C ATOM 1267 C VAL A 288 11.051 -1.105 -5.796 1.00 0.33 C ATOM 1268 O VAL A 288 11.693 -2.131 -5.546 1.00 0.37 O ATOM 1269 CB VAL A 288 10.713 -0.156 -3.501 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.907 0.722 -3.790 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.750 0.582 -2.590 1.00 0.36 C ATOM 0 H VAL A 288 9.418 -2.563 -4.497 1.00 0.24 H new ATOM 0 HA VAL A 288 9.505 0.287 -5.216 1.00 0.26 H new ATOM 0 HB VAL A 288 11.052 -1.061 -2.998 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.381 1.012 -2.852 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.622 0.173 -4.403 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.581 1.615 -4.324 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.266 0.874 -1.676 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.379 1.472 -3.098 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.912 -0.070 -2.341 1.00 0.36 H new ATOM 1281 N GLY A 289 11.086 -0.496 -6.974 1.00 0.43 N ATOM 1282 CA GLY A 289 11.939 -0.981 -8.045 1.00 0.57 C ATOM 1283 C GLY A 289 11.362 -2.209 -8.736 1.00 0.73 C ATOM 1284 O GLY A 289 11.453 -2.347 -9.955 1.00 1.51 O ATOM 0 H GLY A 289 10.536 0.330 -7.209 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.082 -0.188 -8.779 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.922 -1.223 -7.641 1.00 0.57 H new ATOM 1288 N GLY A 290 10.798 -3.111 -7.946 1.00 0.41 N ATOM 1289 CA GLY A 290 10.237 -4.340 -8.475 1.00 0.41 C ATOM 1290 C GLY A 290 9.819 -5.277 -7.364 1.00 0.37 C ATOM 1291 O GLY A 290 8.853 -6.034 -7.503 1.00 0.64 O ATOM 0 H GLY A 290 10.718 -3.012 -6.934 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.376 -4.109 -9.102 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.972 -4.833 -9.112 1.00 0.41 H new ATOM 1295 N GLU A 291 10.557 -5.216 -6.259 1.00 0.27 N ATOM 1296 CA GLU A 291 10.308 -6.058 -5.092 1.00 0.22 C ATOM 1297 C GLU A 291 8.914 -5.816 -4.537 1.00 0.16 C ATOM 1298 O GLU A 291 8.568 -4.686 -4.227 1.00 0.19 O ATOM 1299 CB GLU A 291 11.340 -5.723 -4.012 1.00 0.26 C ATOM 1300 CG GLU A 291 12.753 -6.164 -4.354 1.00 0.53 C ATOM 1301 CD GLU A 291 13.782 -5.652 -3.369 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.448 -4.764 -2.555 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.941 -6.114 -3.421 1.00 2.11 O ATOM 0 H GLU A 291 11.346 -4.580 -6.147 1.00 0.27 H new ATOM 0 HA GLU A 291 10.388 -7.104 -5.389 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.337 -4.646 -3.842 1.00 0.26 H new ATOM 0 HB3 GLU A 291 11.039 -6.195 -3.077 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.792 -7.253 -4.380 1.00 0.53 H new ATOM 0 HG3 GLU A 291 13.007 -5.811 -5.354 1.00 0.53 H new ATOM 1310 N LYS A 292 8.128 -6.879 -4.404 1.00 0.18 N ATOM 1311 CA LYS A 292 6.755 -6.766 -3.918 1.00 0.16 C ATOM 1312 C LYS A 292 6.491 -7.684 -2.730 1.00 0.17 C ATOM 1313 O LYS A 292 7.004 -8.802 -2.660 1.00 0.29 O ATOM 1314 CB LYS A 292 5.764 -7.055 -5.040 1.00 0.18 C ATOM 1315 CG LYS A 292 6.103 -8.278 -5.865 1.00 0.23 C ATOM 1316 CD LYS A 292 5.039 -8.526 -6.909 1.00 0.29 C ATOM 1317 CE LYS A 292 5.465 -9.607 -7.883 1.00 0.49 C ATOM 1318 NZ LYS A 292 4.332 -10.085 -8.715 1.00 1.33 N ATOM 0 H LYS A 292 8.418 -7.831 -4.626 1.00 0.18 H new ATOM 0 HA LYS A 292 6.617 -5.740 -3.577 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.771 -7.185 -4.609 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.715 -6.188 -5.699 1.00 0.18 H new ATOM 0 HG2 LYS A 292 7.070 -8.141 -6.349 1.00 0.23 H new ATOM 0 HG3 LYS A 292 6.193 -9.148 -5.215 1.00 0.23 H new ATOM 0 HD2 LYS A 292 4.109 -8.819 -6.421 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.837 -7.603 -7.452 1.00 0.29 H new ATOM 0 HE2 LYS A 292 6.253 -9.222 -8.530 1.00 0.49 H new ATOM 0 HE3 LYS A 292 5.888 -10.446 -7.331 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 4.667 -10.823 -9.367 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 3.591 -10.477 -8.100 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 3.944 -9.290 -9.262 1.00 1.33 H new ATOM 1332 N CYS A 293 5.697 -7.183 -1.794 1.00 0.16 N ATOM 1333 CA CYS A 293 5.315 -7.925 -0.599 1.00 0.18 C ATOM 1334 C CYS A 293 3.838 -7.749 -0.338 1.00 0.15 C ATOM 1335 O CYS A 293 3.339 -6.631 -0.359 1.00 0.14 O ATOM 1336 CB CYS A 293 6.113 -7.442 0.598 1.00 0.28 C ATOM 1337 SG CYS A 293 7.864 -7.815 0.459 1.00 1.55 S ATOM 0 H CYS A 293 5.297 -6.246 -1.842 1.00 0.16 H new ATOM 0 HA CYS A 293 5.528 -8.982 -0.758 1.00 0.18 H new ATOM 0 HB2 CYS A 293 5.982 -6.365 0.706 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.718 -7.903 1.503 1.00 0.28 H new ATOM 0 HG CYS A 293 8.116 -8.277 -0.730 1.00 1.55 H new ATOM 1343 N SER A 294 3.131 -8.853 -0.194 1.00 0.17 N ATOM 1344 CA SER A 294 1.684 -8.820 -0.137 1.00 0.18 C ATOM 1345 C SER A 294 1.160 -8.451 1.231 1.00 0.17 C ATOM 1346 O SER A 294 1.743 -8.789 2.266 1.00 0.20 O ATOM 1347 CB SER A 294 1.096 -10.167 -0.571 1.00 0.27 C ATOM 1348 OG SER A 294 1.542 -11.224 0.258 1.00 0.61 O ATOM 0 H SER A 294 3.537 -9.785 -0.114 1.00 0.17 H new ATOM 0 HA SER A 294 1.366 -8.040 -0.829 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.008 -10.116 -0.541 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.377 -10.371 -1.604 1.00 0.27 H new ATOM 0 HG SER A 294 2.516 -11.174 0.356 1.00 0.61 H new ATOM 1354 N THR A 295 0.026 -7.788 1.211 1.00 0.17 N ATOM 1355 CA THR A 295 -0.691 -7.451 2.414 1.00 0.15 C ATOM 1356 C THR A 295 -2.183 -7.468 2.101 1.00 0.15 C ATOM 1357 O THR A 295 -2.595 -7.058 1.011 1.00 0.15 O ATOM 1358 CB THR A 295 -0.238 -6.082 2.970 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.185 -6.146 4.398 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.165 -4.951 2.552 1.00 0.20 C ATOM 0 H THR A 295 -0.425 -7.467 0.354 1.00 0.17 H new ATOM 0 HA THR A 295 -0.476 -8.183 3.192 1.00 0.15 H new ATOM 0 HB THR A 295 0.748 -5.869 2.556 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.373 -5.260 4.772 1.00 0.29 H new ATOM 0 HG21 THR A 295 -0.803 -4.011 2.968 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.187 -4.882 1.464 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.171 -5.149 2.923 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.956 -8.157 2.924 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.356 -8.375 2.602 1.00 0.15 C ATOM 1370 C GLU A 296 -5.163 -7.117 2.862 1.00 0.14 C ATOM 1371 O GLU A 296 -4.812 -6.297 3.710 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.917 -9.568 3.372 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.064 -10.809 3.208 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.732 -12.065 3.728 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -4.987 -12.149 4.945 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -5.009 -12.976 2.918 1.00 0.96 O ATOM 0 H GLU A 296 -2.646 -8.568 3.804 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.432 -8.609 1.540 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.987 -9.315 4.430 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.929 -9.777 3.027 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.826 -10.942 2.153 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.119 -10.664 3.732 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.144 -6.894 2.017 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.912 -5.675 2.049 1.00 0.15 C ATOM 1385 C LEU A 297 -8.363 -5.968 2.386 1.00 0.15 C ATOM 1386 O LEU A 297 -9.088 -6.578 1.593 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.815 -4.977 0.694 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.394 -3.571 0.652 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.744 -2.718 1.724 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.196 -2.954 -0.724 1.00 0.29 C ATOM 0 H LEU A 297 -6.429 -7.552 1.291 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.508 -5.021 2.822 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.766 -4.931 0.400 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.328 -5.587 -0.050 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.465 -3.621 0.846 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.161 -1.712 1.691 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -6.934 -3.157 2.703 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.669 -2.671 1.550 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.616 -1.948 -0.736 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.131 -2.905 -0.951 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.699 -3.566 -1.473 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.789 -5.478 3.537 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.167 -5.616 3.976 1.00 0.19 C ATOM 1404 C PHE A 298 -10.755 -4.235 4.200 1.00 0.19 C ATOM 1405 O PHE A 298 -10.029 -3.294 4.501 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.260 -6.443 5.261 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.923 -7.899 5.087 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.613 -8.307 4.894 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.922 -8.857 5.117 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -8.308 -9.645 4.733 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.621 -10.196 4.958 1.00 0.58 C ATOM 1412 CZ PHE A 298 -9.312 -10.589 4.766 1.00 0.45 C ATOM 0 H PHE A 298 -8.191 -4.974 4.192 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.731 -6.140 3.204 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.589 -6.013 6.005 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.271 -6.361 5.659 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.822 -7.572 4.869 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.948 -8.554 5.266 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -7.283 -9.951 4.581 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -11.409 -10.934 4.984 1.00 0.58 H new ATOM 0 HZ PHE A 298 -9.074 -11.635 4.642 1.00 0.45 H new ATOM 1422 N VAL A 299 -12.042 -4.082 3.964 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.665 -2.778 4.080 1.00 0.28 C ATOM 1424 C VAL A 299 -13.733 -2.760 5.171 1.00 0.32 C ATOM 1425 O VAL A 299 -14.540 -3.681 5.294 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.267 -2.318 2.738 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.227 -3.355 2.185 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.948 -0.970 2.892 1.00 0.35 C ATOM 0 H VAL A 299 -12.673 -4.836 3.693 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.879 -2.077 4.361 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.453 -2.207 2.022 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.636 -3.003 1.238 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.696 -4.293 2.025 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -15.039 -3.514 2.894 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.367 -0.662 1.934 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.747 -1.048 3.629 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.220 -0.230 3.224 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.733 -1.688 5.947 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.696 -1.506 7.011 1.00 0.41 C ATOM 1440 C LYS A 300 -15.639 -0.374 6.653 1.00 0.40 C ATOM 1441 O LYS A 300 -15.205 0.676 6.170 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.969 -1.180 8.315 1.00 0.48 C ATOM 1443 CG LYS A 300 -14.810 -1.392 9.566 1.00 1.17 C ATOM 1444 CD LYS A 300 -15.219 -2.847 9.740 1.00 1.72 C ATOM 1445 CE LYS A 300 -14.019 -3.753 9.967 1.00 2.32 C ATOM 1446 NZ LYS A 300 -14.433 -5.147 10.278 1.00 3.03 N ATOM 0 H LYS A 300 -13.065 -0.923 5.854 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.268 -2.425 7.141 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.074 -1.798 8.383 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.638 -0.142 8.284 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -14.246 -1.067 10.441 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -15.703 -0.769 9.512 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -15.903 -2.933 10.584 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -15.762 -3.179 8.855 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -13.388 -3.751 9.078 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -13.417 -3.361 10.787 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -13.588 -5.735 10.426 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -15.014 -5.152 11.140 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -14.986 -5.530 9.485 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.923 -0.592 6.882 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.922 0.423 6.603 1.00 0.57 C ATOM 1462 C GLU A 301 -17.755 1.604 7.561 1.00 0.65 C ATOM 1463 O GLU A 301 -18.237 2.711 7.242 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.328 -0.167 6.735 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.623 -1.256 5.719 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.909 -2.002 6.007 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.650 -1.577 6.917 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -21.191 -3.014 5.328 1.00 1.21 O ATOM 1469 OXT GLU A 301 -17.138 1.414 8.633 1.00 1.20 O ATOM 0 H GLU A 301 -17.297 -1.462 7.260 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.785 0.776 5.581 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.450 -0.574 7.739 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.061 0.632 6.623 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.682 -0.812 4.725 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.795 -1.964 5.703 1.00 0.66 H new TER 1476 GLU A 301