USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 692 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 218 LYS NZ :NH3+ 171:sc= 1.51 (180deg=0.332) USER MOD Set 1.2: A 295 THR OG1 : rot -156:sc= -0.38! USER MOD Set 2.1: A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 277 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 234 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 270 THR OG1 : rot 180:sc= 0 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.33 F(o=-2.6,f=-0.33) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 TYR OH : rot -146:sc= -2.1! USER MOD Single : A 224 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.3) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 229 HIS : no HE2:sc= 0.894 K(o=0.89,f=-2.8!) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 HIS :FLIP no HE2:sc= -0.553 F(o=-2.2,f=-0.55) USER MOD Single : A 245 LYS NZ :NH3+ -112:sc= 1.28 (180deg=-2.14!) USER MOD Single : A 248 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0317) USER MOD Single : A 249 ASN :FLIP amide:sc= -1.05 F(o=-3.2!,f=-1.1) USER MOD Single : A 251 GLN : amide:sc= -0.738 K(o=-0.74,f=-3!) USER MOD Single : A 254 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.41) USER MOD Single : A 255 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 256 SER OG : rot 180:sc= -0.022 USER MOD Single : A 258 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 259 LYS NZ :NH3+ 166:sc= 1.32 (180deg=1.07) 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+ -145:sc= 0.0832 (180deg=-0.749) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot -164:sc= -2.27! USER MOD Single : A 275 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Single : A 276 CYS SG : rot -1:sc= -3.83! USER MOD Single : A 284 TYR OH : rot 180:sc= -2.09! USER MOD Single : A 285 GLN :FLIP amide:sc= -6.61! C(o=-15!,f=-6.6!) USER MOD Single : A 286 CYS SG : rot 112:sc= -6.03! USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 293 CYS SG : rot 180:sc= -1.65! USER MOD Single : A 294 SER OG : rot 180:sc= 0.0311 USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 11.613 -2.600 -0.390 1.00 0.50 N ATOM 98 CA ALA A 214 12.428 -1.568 0.216 1.00 0.39 C ATOM 99 C ALA A 214 11.685 -0.985 1.392 1.00 0.25 C ATOM 100 O ALA A 214 12.074 0.032 1.964 1.00 0.27 O ATOM 101 CB ALA A 214 12.761 -0.485 -0.774 1.00 0.48 C ATOM 0 HA ALA A 214 13.366 -2.011 0.550 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.374 0.275 -0.289 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.311 -0.914 -1.612 1.00 0.48 H new ATOM 0 HB3 ALA A 214 11.840 -0.030 -1.139 1.00 0.48 H new ATOM 107 N PHE A 215 10.619 -1.662 1.760 1.00 0.25 N ATOM 108 CA PHE A 215 9.844 -1.288 2.909 1.00 0.18 C ATOM 109 C PHE A 215 10.425 -1.996 4.105 1.00 0.21 C ATOM 110 O PHE A 215 10.312 -3.216 4.231 1.00 0.28 O ATOM 111 CB PHE A 215 8.367 -1.671 2.721 1.00 0.20 C ATOM 112 CG PHE A 215 7.763 -1.167 1.429 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.172 -1.668 0.202 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.790 -0.187 1.445 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.623 -1.200 -0.973 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.241 0.287 0.271 1.00 0.31 C ATOM 117 CZ PHE A 215 6.658 -0.219 -0.939 1.00 0.35 C ATOM 0 H PHE A 215 10.271 -2.485 1.268 1.00 0.25 H new ATOM 0 HA PHE A 215 9.883 -0.208 3.051 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.276 -2.757 2.754 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.790 -1.277 3.558 1.00 0.20 H new ATOM 0 HD1 PHE A 215 8.931 -2.435 0.166 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.454 0.214 2.390 1.00 0.26 H new ATOM 0 HE1 PHE A 215 7.950 -1.603 -1.920 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.483 1.056 0.302 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.230 0.152 -1.858 1.00 0.35 H new ATOM 127 N GLN A 216 11.071 -1.217 4.953 1.00 0.18 N ATOM 128 CA GLN A 216 11.678 -1.714 6.167 1.00 0.21 C ATOM 129 C GLN A 216 10.678 -2.570 6.907 1.00 0.24 C ATOM 130 O GLN A 216 10.874 -3.769 7.100 1.00 0.31 O ATOM 131 CB GLN A 216 12.076 -0.532 7.035 1.00 0.20 C ATOM 132 CG GLN A 216 13.423 -0.719 7.711 1.00 0.25 C ATOM 133 CD GLN A 216 13.832 0.454 8.576 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.118 1.562 8.465 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.807 0.372 9.323 1.00 0.79 N flip ATOM 0 H GLN A 216 11.188 -0.213 4.814 1.00 0.18 H new ATOM 0 HA GLN A 216 12.559 -2.310 5.929 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.105 0.369 6.422 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.312 -0.374 7.797 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.391 -1.619 8.325 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.184 -0.881 6.948 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.333 -0.500 9.381 1.00 0.79 H new ATOM 0 HE22 GLN A 216 15.089 1.176 9.884 1.00 0.79 H new ATOM 144 N LYS A 217 9.518 -1.985 7.114 1.00 0.20 N ATOM 145 CA LYS A 217 8.377 -2.715 7.595 1.00 0.22 C ATOM 146 C LYS A 217 7.134 -2.324 6.808 1.00 0.17 C ATOM 147 O LYS A 217 6.675 -1.190 6.904 1.00 0.17 O ATOM 148 CB LYS A 217 8.172 -2.428 9.078 1.00 0.28 C ATOM 149 CG LYS A 217 6.847 -2.925 9.608 1.00 0.36 C ATOM 150 CD LYS A 217 6.631 -2.486 11.043 1.00 0.59 C ATOM 151 CE LYS A 217 5.222 -2.793 11.518 1.00 1.26 C ATOM 152 NZ LYS A 217 5.027 -2.418 12.942 1.00 1.85 N ATOM 0 H LYS A 217 9.345 -0.993 6.953 1.00 0.20 H new ATOM 0 HA LYS A 217 8.553 -3.782 7.459 1.00 0.22 H new ATOM 0 HB2 LYS A 217 8.979 -2.892 9.645 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.242 -1.353 9.246 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.038 -2.547 8.984 1.00 0.36 H new ATOM 0 HG3 LYS A 217 6.814 -4.013 9.549 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.351 -2.988 11.689 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.819 -1.416 11.128 1.00 0.59 H new ATOM 0 HE2 LYS A 217 4.504 -2.255 10.899 1.00 1.26 H new ATOM 0 HE3 LYS A 217 5.019 -3.856 11.391 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 4.053 -2.643 13.230 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 5.695 -2.950 13.536 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 5.196 -1.399 13.059 1.00 1.85 H new ATOM 166 N LYS A 218 6.461 -3.308 6.242 1.00 0.19 N ATOM 167 CA LYS A 218 5.123 -3.085 5.731 1.00 0.20 C ATOM 168 C LYS A 218 4.148 -3.290 6.884 1.00 0.18 C ATOM 169 O LYS A 218 4.364 -4.177 7.714 1.00 0.20 O ATOM 170 CB LYS A 218 4.786 -4.040 4.566 1.00 0.31 C ATOM 171 CG LYS A 218 3.374 -3.843 4.025 1.00 0.39 C ATOM 172 CD LYS A 218 2.953 -4.948 3.072 1.00 0.96 C ATOM 173 CE LYS A 218 2.960 -6.312 3.743 1.00 1.56 C ATOM 174 NZ LYS A 218 2.138 -6.359 4.975 1.00 2.42 N ATOM 0 H LYS A 218 6.814 -4.258 6.125 1.00 0.19 H new ATOM 0 HA LYS A 218 5.051 -2.072 5.335 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.503 -3.888 3.759 1.00 0.31 H new ATOM 0 HB3 LYS A 218 4.900 -5.070 4.903 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.673 -3.800 4.858 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.317 -2.884 3.511 1.00 0.39 H new ATOM 0 HD2 LYS A 218 1.954 -4.737 2.691 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.625 -4.963 2.214 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.592 -7.058 3.039 1.00 1.56 H new ATOM 0 HE3 LYS A 218 3.987 -6.584 3.988 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 2.058 -7.343 5.301 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.589 -5.784 5.715 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 1.190 -5.982 4.774 1.00 2.42 H new ATOM 188 N LEU A 219 3.081 -2.502 6.939 1.00 0.16 N ATOM 189 CA LEU A 219 2.065 -2.680 7.969 1.00 0.16 C ATOM 190 C LEU A 219 1.470 -4.085 7.883 1.00 0.16 C ATOM 191 O LEU A 219 1.738 -4.807 6.931 1.00 0.17 O ATOM 192 CB LEU A 219 0.964 -1.621 7.875 1.00 0.20 C ATOM 193 CG LEU A 219 1.261 -0.304 8.599 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.012 0.561 8.663 1.00 1.20 C ATOM 195 CD2 LEU A 219 1.804 -0.569 9.996 1.00 1.62 C ATOM 0 H LEU A 219 2.897 -1.739 6.288 1.00 0.16 H new ATOM 0 HA LEU A 219 2.549 -2.556 8.938 1.00 0.16 H new ATOM 0 HB2 LEU A 219 0.779 -1.405 6.823 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.043 -2.040 8.281 1.00 0.20 H new ATOM 0 HG LEU A 219 2.023 0.234 8.035 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.241 1.493 9.181 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.330 0.782 7.652 1.00 1.20 H new ATOM 0 HD13 LEU A 219 -0.772 0.029 9.203 1.00 1.20 H new ATOM 0 HD21 LEU A 219 2.008 0.379 10.493 1.00 1.62 H new ATOM 0 HD22 LEU A 219 1.068 -1.129 10.572 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.725 -1.147 9.925 1.00 1.62 H new ATOM 207 N GLU A 220 0.756 -4.494 8.922 1.00 0.17 N ATOM 208 CA GLU A 220 0.227 -5.860 9.038 1.00 0.20 C ATOM 209 C GLU A 220 -0.427 -6.352 7.745 1.00 0.19 C ATOM 210 O GLU A 220 -1.005 -5.568 6.996 1.00 0.19 O ATOM 211 CB GLU A 220 -0.812 -5.909 10.157 1.00 0.23 C ATOM 212 CG GLU A 220 -1.893 -4.844 10.021 1.00 0.24 C ATOM 213 CD GLU A 220 -1.527 -3.553 10.721 1.00 0.75 C ATOM 214 OE1 GLU A 220 -1.132 -3.596 11.903 1.00 1.43 O ATOM 215 OE2 GLU A 220 -1.619 -2.482 10.084 1.00 1.12 O ATOM 0 H GLU A 220 0.523 -3.893 9.713 1.00 0.17 H new ATOM 0 HA GLU A 220 1.073 -6.512 9.255 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.280 -6.893 10.166 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.309 -5.786 11.116 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -2.069 -4.643 8.964 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.827 -5.225 10.433 1.00 0.24 H new ATOM 222 N PRO A 221 -0.322 -7.672 7.459 1.00 0.22 N ATOM 223 CA PRO A 221 -0.867 -8.297 6.235 1.00 0.23 C ATOM 224 C PRO A 221 -2.391 -8.252 6.142 1.00 0.20 C ATOM 225 O PRO A 221 -2.983 -9.027 5.399 1.00 0.19 O ATOM 226 CB PRO A 221 -0.400 -9.757 6.328 1.00 0.29 C ATOM 227 CG PRO A 221 0.710 -9.750 7.320 1.00 0.57 C ATOM 228 CD PRO A 221 0.381 -8.660 8.296 1.00 0.26 C ATOM 0 HA PRO A 221 -0.519 -7.764 5.350 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.211 -10.410 6.650 1.00 0.29 H new ATOM 0 HB3 PRO A 221 -0.060 -10.124 5.360 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.791 -10.714 7.823 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.667 -9.563 6.834 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.248 -9.022 9.109 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.278 -8.240 8.750 1.00 0.26 H new ATOM 236 N ALA A 222 -2.992 -7.242 6.745 1.00 0.20 N ATOM 237 CA ALA A 222 -4.413 -7.000 6.613 1.00 0.19 C ATOM 238 C ALA A 222 -4.707 -5.527 6.822 1.00 0.15 C ATOM 239 O ALA A 222 -5.045 -5.096 7.926 1.00 0.17 O ATOM 240 CB ALA A 222 -5.215 -7.849 7.587 1.00 0.24 C ATOM 0 H ALA A 222 -2.508 -6.569 7.339 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.715 -7.285 5.605 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.278 -7.642 7.461 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.025 -8.904 7.391 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.918 -7.610 8.608 1.00 0.24 H new ATOM 246 N TYR A 223 -4.611 -4.767 5.744 1.00 0.12 N ATOM 247 CA TYR A 223 -4.938 -3.353 5.781 1.00 0.11 C ATOM 248 C TYR A 223 -6.447 -3.205 5.737 1.00 0.13 C ATOM 249 O TYR A 223 -7.102 -3.855 4.926 1.00 0.17 O ATOM 250 CB TYR A 223 -4.312 -2.617 4.589 1.00 0.12 C ATOM 251 CG TYR A 223 -2.808 -2.410 4.663 1.00 0.12 C ATOM 252 CD1 TYR A 223 -1.991 -3.403 5.180 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.211 -1.225 4.250 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.624 -3.227 5.282 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.839 -1.042 4.350 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.054 -2.012 4.726 1.00 0.16 C ATOM 257 OH TYR A 223 1.303 -1.889 4.970 1.00 0.21 O ATOM 0 H TYR A 223 -4.309 -5.107 4.831 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.540 -2.916 6.697 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.540 -3.174 3.680 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.791 -1.642 4.494 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.431 -4.333 5.510 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.825 -0.434 3.845 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.000 -3.968 5.759 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.414 -0.078 4.112 1.00 0.20 H new ATOM 0 HH TYR A 223 1.528 -0.944 5.099 1.00 0.21 H new ATOM 267 N GLN A 224 -7.008 -2.467 6.680 1.00 0.15 N ATOM 268 CA GLN A 224 -8.455 -2.356 6.780 1.00 0.18 C ATOM 269 C GLN A 224 -8.952 -0.978 6.358 1.00 0.17 C ATOM 270 O GLN A 224 -8.783 0.009 7.079 1.00 0.22 O ATOM 271 CB GLN A 224 -8.914 -2.683 8.199 1.00 0.26 C ATOM 272 CG GLN A 224 -8.738 -4.148 8.556 1.00 0.34 C ATOM 273 CD GLN A 224 -9.186 -4.469 9.964 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.557 -4.063 10.938 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.296 -5.177 10.081 1.00 0.99 N ATOM 0 H GLN A 224 -6.489 -1.939 7.382 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.889 -3.080 6.091 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.353 -2.072 8.906 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -9.964 -2.412 8.307 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.304 -4.759 7.852 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.689 -4.421 8.443 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.788 -5.495 9.246 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.660 -5.405 11.006 1.00 0.99 H new ATOM 284 N VAL A 225 -9.574 -0.923 5.183 1.00 0.16 N ATOM 285 CA VAL A 225 -10.125 0.315 4.652 1.00 0.18 C ATOM 286 C VAL A 225 -11.262 0.815 5.511 1.00 0.24 C ATOM 287 O VAL A 225 -12.288 0.156 5.591 1.00 0.30 O ATOM 288 CB VAL A 225 -10.717 0.134 3.235 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.940 1.484 2.571 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.854 -0.757 2.369 1.00 0.77 C ATOM 0 H VAL A 225 -9.708 -1.732 4.577 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.291 1.016 4.633 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.681 -0.363 3.346 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.357 1.335 1.575 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.633 2.074 3.170 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.990 2.012 2.491 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.308 -0.856 1.383 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.862 -0.317 2.269 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.769 -1.741 2.830 1.00 0.77 H new ATOM 300 N SER A 226 -11.241 2.087 5.824 1.00 0.26 N ATOM 301 CA SER A 226 -12.470 2.713 6.241 1.00 0.33 C ATOM 302 C SER A 226 -13.228 3.058 4.963 1.00 0.32 C ATOM 303 O SER A 226 -12.715 3.820 4.147 1.00 0.32 O ATOM 304 CB SER A 226 -12.175 3.954 7.070 1.00 0.42 C ATOM 305 OG SER A 226 -11.350 3.633 8.180 1.00 1.20 O ATOM 0 H SER A 226 -10.419 2.691 5.800 1.00 0.26 H new ATOM 0 HA SER A 226 -13.066 2.054 6.872 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.683 4.703 6.450 1.00 0.42 H new ATOM 0 HB3 SER A 226 -13.109 4.394 7.420 1.00 0.42 H new ATOM 0 HG SER A 226 -11.170 4.444 8.699 1.00 1.20 H new ATOM 311 N LYS A 227 -14.198 2.211 4.635 1.00 0.34 N ATOM 312 CA LYS A 227 -14.780 2.179 3.291 1.00 0.37 C ATOM 313 C LYS A 227 -15.050 3.572 2.732 1.00 0.42 C ATOM 314 O LYS A 227 -15.646 4.428 3.392 1.00 0.48 O ATOM 315 CB LYS A 227 -16.067 1.334 3.270 1.00 0.44 C ATOM 316 CG LYS A 227 -17.358 2.117 3.478 1.00 0.95 C ATOM 317 CD LYS A 227 -18.571 1.204 3.571 1.00 0.93 C ATOM 318 CE LYS A 227 -18.755 0.351 2.326 1.00 0.96 C ATOM 319 NZ LYS A 227 -19.279 1.134 1.174 1.00 1.54 N ATOM 0 H LYS A 227 -14.601 1.534 5.282 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.038 1.713 2.643 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.126 0.814 2.314 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.995 0.571 4.045 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.280 2.709 4.390 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.494 2.817 2.654 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.467 0.555 4.440 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -19.465 1.808 3.729 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -17.800 -0.098 2.052 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.440 -0.467 2.547 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -19.387 0.509 0.350 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -20.203 1.542 1.423 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -18.614 1.899 0.943 1.00 1.54 H new ATOM 333 N GLY A 228 -14.526 3.807 1.535 1.00 0.46 N ATOM 334 CA GLY A 228 -14.705 5.087 0.867 1.00 0.57 C ATOM 335 C GLY A 228 -13.958 6.233 1.531 1.00 0.57 C ATOM 336 O GLY A 228 -13.792 7.297 0.934 1.00 0.70 O ATOM 0 H GLY A 228 -13.975 3.128 1.009 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.370 4.997 -0.166 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.768 5.326 0.838 1.00 0.57 H new ATOM 340 N HIS A 229 -13.456 6.001 2.738 1.00 0.47 N ATOM 341 CA HIS A 229 -12.696 7.009 3.467 1.00 0.53 C ATOM 342 C HIS A 229 -11.261 7.026 2.983 1.00 0.54 C ATOM 343 O HIS A 229 -10.426 7.762 3.509 1.00 1.02 O ATOM 344 CB HIS A 229 -12.741 6.740 4.971 1.00 0.55 C ATOM 345 CG HIS A 229 -14.032 7.133 5.620 1.00 1.32 C ATOM 346 ND1 HIS A 229 -15.254 6.585 5.284 1.00 1.94 N ATOM 347 CD2 HIS A 229 -14.289 8.041 6.590 1.00 2.31 C ATOM 348 CE1 HIS A 229 -16.200 7.141 6.019 1.00 2.66 C ATOM 349 NE2 HIS A 229 -15.639 8.026 6.818 1.00 2.89 N ATOM 0 H HIS A 229 -13.563 5.117 3.235 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.147 7.983 3.280 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.567 5.678 5.146 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.925 7.280 5.451 1.00 0.55 H new ATOM 0 HD1 HIS A 229 -15.403 5.864 4.578 1.00 1.94 H new ATOM 0 HD2 HIS A 229 -13.563 8.663 7.092 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -17.254 6.910 5.973 1.00 2.66 H new ATOM 358 N LYS A 230 -11.002 6.184 1.983 1.00 0.30 N ATOM 359 CA LYS A 230 -9.688 6.061 1.365 1.00 0.28 C ATOM 360 C LYS A 230 -8.709 5.386 2.313 1.00 0.24 C ATOM 361 O LYS A 230 -8.295 5.984 3.306 1.00 0.28 O ATOM 362 CB LYS A 230 -9.133 7.440 0.975 1.00 0.36 C ATOM 363 CG LYS A 230 -9.992 8.202 -0.020 1.00 1.00 C ATOM 364 CD LYS A 230 -9.613 9.675 -0.073 1.00 1.23 C ATOM 365 CE LYS A 230 -8.129 9.873 -0.333 1.00 1.65 C ATOM 366 NZ LYS A 230 -7.768 11.311 -0.444 1.00 2.24 N ATOM 0 H LYS A 230 -11.705 5.565 1.578 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.805 5.453 0.468 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -9.022 8.042 1.877 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.136 7.311 0.553 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.881 7.761 -1.011 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -11.042 8.105 0.256 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -10.187 10.169 -0.857 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -9.883 10.153 0.869 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -7.556 9.417 0.474 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -7.850 9.358 -1.252 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -6.747 11.400 -0.621 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -8.295 11.741 -1.231 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -8.009 11.799 0.442 1.00 2.24 H new ATOM 380 N ILE A 231 -8.334 4.145 2.033 1.00 0.20 N ATOM 381 CA ILE A 231 -7.374 3.478 2.911 1.00 0.17 C ATOM 382 C ILE A 231 -5.944 3.803 2.490 1.00 0.16 C ATOM 383 O ILE A 231 -5.622 3.845 1.309 1.00 0.17 O ATOM 384 CB ILE A 231 -7.555 1.946 2.973 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.515 1.347 3.926 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.407 1.327 1.594 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.635 -0.140 4.115 1.00 0.19 C ATOM 0 H ILE A 231 -8.662 3.595 1.239 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.569 3.864 3.911 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.558 1.728 3.339 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.518 1.574 3.547 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.606 1.834 4.897 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.539 0.247 1.664 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.162 1.742 0.926 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.414 1.547 1.201 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.862 -0.483 4.803 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.617 -0.377 4.525 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.513 -0.640 3.154 1.00 0.19 H new ATOM 399 N ARG A 232 -5.116 4.119 3.466 1.00 0.17 N ATOM 400 CA ARG A 232 -3.741 4.514 3.213 1.00 0.17 C ATOM 401 C ARG A 232 -2.802 3.368 3.573 1.00 0.15 C ATOM 402 O ARG A 232 -2.972 2.743 4.620 1.00 0.19 O ATOM 403 CB ARG A 232 -3.424 5.750 4.049 1.00 0.22 C ATOM 404 CG ARG A 232 -4.422 6.879 3.862 1.00 0.34 C ATOM 405 CD ARG A 232 -4.212 7.989 4.881 1.00 0.77 C ATOM 406 NE ARG A 232 -4.288 7.497 6.256 1.00 1.44 N ATOM 407 CZ ARG A 232 -5.401 7.033 6.831 1.00 2.13 C ATOM 408 NH1 ARG A 232 -6.568 7.114 6.200 1.00 2.48 N ATOM 409 NH2 ARG A 232 -5.344 6.531 8.056 1.00 3.14 N ATOM 0 H ARG A 232 -5.374 4.110 4.453 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.606 4.749 2.157 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.397 5.470 5.102 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.428 6.109 3.789 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -4.327 7.286 2.855 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.435 6.488 3.953 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -3.239 8.452 4.716 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -4.964 8.764 4.732 1.00 0.77 H new ATOM 0 HE ARG A 232 -3.434 7.509 6.813 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -6.618 7.532 5.271 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -7.414 6.758 6.645 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -4.454 6.501 8.554 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -6.190 6.175 8.501 1.00 3.14 H new ATOM 423 N LEU A 233 -1.830 3.055 2.713 1.00 0.13 N ATOM 424 CA LEU A 233 -0.952 1.944 2.988 1.00 0.14 C ATOM 425 C LEU A 233 0.325 2.448 3.618 1.00 0.13 C ATOM 426 O LEU A 233 1.229 2.904 2.926 1.00 0.13 O ATOM 427 CB LEU A 233 -0.667 1.152 1.705 1.00 0.15 C ATOM 428 CG LEU A 233 -1.773 0.165 1.286 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.053 0.896 0.905 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.311 -0.708 0.132 1.00 0.23 C ATOM 0 H LEU A 233 -1.643 3.551 1.841 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.439 1.267 3.690 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.503 1.857 0.890 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.262 0.597 1.838 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.984 -0.471 2.146 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.813 0.171 0.614 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.410 1.474 1.758 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.854 1.567 0.070 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.109 -1.396 -0.146 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.061 -0.079 -0.722 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.431 -1.276 0.435 1.00 0.23 H new ATOM 442 N THR A 234 0.341 2.456 4.939 1.00 0.14 N ATOM 443 CA THR A 234 1.462 2.977 5.688 1.00 0.16 C ATOM 444 C THR A 234 2.501 1.886 5.912 1.00 0.16 C ATOM 445 O THR A 234 2.159 0.710 6.041 1.00 0.22 O ATOM 446 CB THR A 234 1.000 3.555 7.042 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.114 4.439 6.836 1.00 0.33 O ATOM 448 CG2 THR A 234 2.125 4.314 7.730 1.00 0.24 C ATOM 0 H THR A 234 -0.421 2.102 5.517 1.00 0.14 H new ATOM 0 HA THR A 234 1.912 3.782 5.107 1.00 0.16 H new ATOM 0 HB THR A 234 0.704 2.724 7.681 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.406 4.803 7.698 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.769 4.709 8.681 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.963 3.640 7.908 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.450 5.137 7.094 1.00 0.24 H new ATOM 456 N VAL A 235 3.761 2.270 5.817 1.00 0.14 N ATOM 457 CA VAL A 235 4.883 1.351 5.926 1.00 0.14 C ATOM 458 C VAL A 235 6.086 2.103 6.461 1.00 0.14 C ATOM 459 O VAL A 235 6.270 3.266 6.136 1.00 0.16 O ATOM 460 CB VAL A 235 5.268 0.751 4.554 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.178 -0.146 4.017 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.542 1.859 3.565 1.00 0.14 C ATOM 0 H VAL A 235 4.039 3.239 5.660 1.00 0.14 H new ATOM 0 HA VAL A 235 4.586 0.541 6.593 1.00 0.14 H new ATOM 0 HB VAL A 235 6.167 0.150 4.694 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.482 -0.550 3.052 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.004 -0.965 4.715 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.260 0.429 3.896 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.813 1.428 2.601 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.649 2.473 3.450 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.363 2.477 3.929 1.00 0.14 H new ATOM 472 N GLU A 236 6.995 1.413 7.112 1.00 0.13 N ATOM 473 CA GLU A 236 8.256 2.024 7.454 1.00 0.13 C ATOM 474 C GLU A 236 9.222 1.714 6.335 1.00 0.13 C ATOM 475 O GLU A 236 9.434 0.555 6.013 1.00 0.17 O ATOM 476 CB GLU A 236 8.792 1.485 8.782 1.00 0.18 C ATOM 477 CG GLU A 236 9.940 2.307 9.349 1.00 0.29 C ATOM 478 CD GLU A 236 10.258 1.959 10.788 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.371 2.096 11.651 1.00 1.05 O ATOM 480 OE2 GLU A 236 11.397 1.526 11.060 1.00 1.18 O ATOM 0 H GLU A 236 6.887 0.444 7.411 1.00 0.13 H new ATOM 0 HA GLU A 236 8.129 3.100 7.575 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.980 1.459 9.509 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.126 0.457 8.640 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.829 2.151 8.738 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.690 3.366 9.283 1.00 0.29 H new ATOM 487 N LEU A 237 9.660 2.734 5.626 1.00 0.13 N ATOM 488 CA LEU A 237 10.507 2.522 4.467 1.00 0.15 C ATOM 489 C LEU A 237 11.952 2.322 4.876 1.00 0.17 C ATOM 490 O LEU A 237 12.402 2.874 5.874 1.00 0.19 O ATOM 491 CB LEU A 237 10.422 3.695 3.494 1.00 0.17 C ATOM 492 CG LEU A 237 9.487 3.495 2.303 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.519 4.717 1.406 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.871 2.253 1.514 1.00 0.55 C ATOM 0 H LEU A 237 9.447 3.711 5.828 1.00 0.13 H new ATOM 0 HA LEU A 237 10.145 1.621 3.971 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.097 4.578 4.044 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.423 3.905 3.117 1.00 0.17 H new ATOM 0 HG LEU A 237 8.474 3.358 2.681 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.849 4.565 0.560 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.197 5.592 1.971 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.534 4.874 1.042 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.190 2.132 0.671 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.891 2.358 1.144 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.807 1.377 2.160 1.00 0.55 H new ATOM 506 N ALA A 238 12.691 1.623 4.039 1.00 0.19 N ATOM 507 CA ALA A 238 14.129 1.515 4.186 1.00 0.21 C ATOM 508 C ALA A 238 14.774 2.612 3.353 1.00 0.23 C ATOM 509 O ALA A 238 15.724 3.272 3.773 1.00 0.28 O ATOM 510 CB ALA A 238 14.599 0.149 3.728 1.00 0.25 C ATOM 0 H ALA A 238 12.313 1.115 3.239 1.00 0.19 H new ATOM 0 HA ALA A 238 14.413 1.631 5.232 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.681 0.079 3.843 1.00 0.25 H new ATOM 0 HB2 ALA A 238 14.119 -0.622 4.331 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.335 0.006 2.680 1.00 0.25 H new ATOM 516 N ASP A 239 14.169 2.837 2.191 1.00 0.22 N ATOM 517 CA ASP A 239 14.603 3.880 1.256 1.00 0.25 C ATOM 518 C ASP A 239 14.287 5.264 1.787 1.00 0.25 C ATOM 519 O ASP A 239 15.098 6.182 1.679 1.00 0.34 O ATOM 520 CB ASP A 239 13.902 3.722 -0.087 1.00 0.31 C ATOM 521 CG ASP A 239 14.432 2.551 -0.893 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.310 1.827 -0.390 1.00 1.28 O ATOM 523 OD2 ASP A 239 13.973 2.349 -2.037 1.00 1.19 O ATOM 0 H ASP A 239 13.363 2.303 1.867 1.00 0.22 H new ATOM 0 HA ASP A 239 15.681 3.770 1.137 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.833 3.588 0.080 1.00 0.31 H new ATOM 0 HB3 ASP A 239 14.022 4.639 -0.664 1.00 0.31 H new ATOM 528 N HIS A 240 13.052 5.413 2.260 1.00 0.27 N ATOM 529 CA HIS A 240 12.519 6.683 2.763 1.00 0.39 C ATOM 530 C HIS A 240 12.150 7.626 1.620 1.00 0.47 C ATOM 531 O HIS A 240 10.989 8.004 1.472 1.00 0.70 O ATOM 532 CB HIS A 240 13.502 7.397 3.708 1.00 0.46 C ATOM 533 CG HIS A 240 13.951 6.581 4.884 1.00 0.46 C ATOM 534 ND1 HIS A 240 13.724 5.287 5.211 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 14.757 7.084 5.877 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.397 5.035 6.381 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.011 6.140 6.760 1.00 0.48 N flip ATOM 0 H HIS A 240 12.381 4.646 2.307 1.00 0.27 H new ATOM 0 HA HIS A 240 11.621 6.429 3.327 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.380 7.698 3.136 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.033 8.310 4.075 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.157 4.622 4.685 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.126 8.098 5.926 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.420 4.090 6.904 1.00 0.57 H new ATOM 546 N ASP A 241 13.142 8.041 0.842 1.00 0.41 N ATOM 547 CA ASP A 241 12.920 9.043 -0.201 1.00 0.51 C ATOM 548 C ASP A 241 12.812 8.429 -1.586 1.00 0.44 C ATOM 549 O ASP A 241 13.128 9.064 -2.595 1.00 0.78 O ATOM 550 CB ASP A 241 14.028 10.103 -0.159 1.00 0.80 C ATOM 551 CG ASP A 241 15.408 9.563 -0.502 1.00 1.53 C ATOM 552 OD1 ASP A 241 15.640 9.233 -1.680 1.00 2.22 O ATOM 553 OD2 ASP A 241 16.265 9.458 0.399 1.00 2.08 O ATOM 0 H ASP A 241 14.102 7.704 0.910 1.00 0.41 H new ATOM 0 HA ASP A 241 11.961 9.518 0.004 1.00 0.51 H new ATOM 0 HB2 ASP A 241 13.778 10.904 -0.855 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.058 10.544 0.837 1.00 0.80 H new ATOM 558 N ALA A 242 12.242 7.250 -1.639 1.00 0.33 N ATOM 559 CA ALA A 242 12.021 6.576 -2.897 1.00 0.30 C ATOM 560 C ALA A 242 10.547 6.504 -3.228 1.00 0.24 C ATOM 561 O ALA A 242 9.709 6.353 -2.334 1.00 0.28 O ATOM 562 CB ALA A 242 12.600 5.188 -2.837 1.00 0.38 C ATOM 0 H ALA A 242 11.920 6.734 -0.820 1.00 0.33 H new ATOM 0 HA ALA A 242 12.517 7.147 -3.682 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.432 4.682 -3.788 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.671 5.249 -2.643 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.117 4.627 -2.037 1.00 0.38 H new ATOM 568 N GLU A 243 10.244 6.500 -4.516 1.00 0.26 N ATOM 569 CA GLU A 243 8.885 6.294 -4.966 1.00 0.30 C ATOM 570 C GLU A 243 8.476 4.859 -4.702 1.00 0.25 C ATOM 571 O GLU A 243 9.058 3.925 -5.257 1.00 0.25 O ATOM 572 CB GLU A 243 8.750 6.574 -6.458 1.00 0.39 C ATOM 573 CG GLU A 243 8.878 8.032 -6.836 1.00 0.67 C ATOM 574 CD GLU A 243 8.588 8.251 -8.305 1.00 1.10 C ATOM 575 OE1 GLU A 243 7.609 7.664 -8.812 1.00 1.64 O ATOM 576 OE2 GLU A 243 9.329 9.014 -8.959 1.00 1.56 O ATOM 0 H GLU A 243 10.923 6.637 -5.265 1.00 0.26 H new ATOM 0 HA GLU A 243 8.241 6.982 -4.419 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.511 6.005 -6.992 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.781 6.207 -6.797 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.190 8.627 -6.235 1.00 0.67 H new ATOM 0 HG3 GLU A 243 9.885 8.382 -6.607 1.00 0.67 H new ATOM 583 N VAL A 244 7.441 4.686 -3.912 1.00 0.24 N ATOM 584 CA VAL A 244 6.937 3.363 -3.652 1.00 0.21 C ATOM 585 C VAL A 244 5.812 3.033 -4.616 1.00 0.20 C ATOM 586 O VAL A 244 4.806 3.739 -4.691 1.00 0.23 O ATOM 587 CB VAL A 244 6.453 3.194 -2.193 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.627 3.333 -1.232 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.342 4.194 -1.855 1.00 0.27 C ATOM 0 H VAL A 244 6.938 5.439 -3.443 1.00 0.24 H new ATOM 0 HA VAL A 244 7.763 2.668 -3.802 1.00 0.21 H new ATOM 0 HB VAL A 244 6.033 2.194 -2.085 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.275 3.212 -0.208 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.371 2.567 -1.453 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.077 4.319 -1.347 1.00 0.24 H new ATOM 0 HG21 VAL A 244 5.024 4.049 -0.823 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.717 5.210 -1.980 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.494 4.035 -2.522 1.00 0.27 H new ATOM 599 N LYS A 245 5.960 1.922 -5.295 1.00 0.18 N ATOM 600 CA LYS A 245 4.896 1.408 -6.121 1.00 0.19 C ATOM 601 C LYS A 245 4.240 0.280 -5.361 1.00 0.15 C ATOM 602 O LYS A 245 4.803 -0.231 -4.399 1.00 0.16 O ATOM 603 CB LYS A 245 5.416 0.935 -7.482 1.00 0.30 C ATOM 604 CG LYS A 245 5.478 2.031 -8.541 1.00 0.89 C ATOM 605 CD LYS A 245 6.618 3.010 -8.302 1.00 1.51 C ATOM 606 CE LYS A 245 6.629 4.102 -9.362 1.00 2.00 C ATOM 607 NZ LYS A 245 7.836 4.966 -9.278 1.00 2.79 N ATOM 0 H LYS A 245 6.808 1.356 -5.292 1.00 0.18 H new ATOM 0 HA LYS A 245 4.172 2.195 -6.332 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.413 0.514 -7.352 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.775 0.131 -7.844 1.00 0.30 H new ATOM 0 HG2 LYS A 245 5.595 1.575 -9.524 1.00 0.89 H new ATOM 0 HG3 LYS A 245 4.533 2.575 -8.552 1.00 0.89 H new ATOM 0 HD2 LYS A 245 6.516 3.458 -7.314 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.569 2.477 -8.314 1.00 1.51 H new ATOM 0 HE2 LYS A 245 6.582 3.645 -10.350 1.00 2.00 H new ATOM 0 HE3 LYS A 245 5.737 4.718 -9.253 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 7.559 5.921 -8.975 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 8.503 4.564 -8.589 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 8.292 5.018 -10.212 1.00 2.79 H new ATOM 621 N TRP A 246 2.999 0.012 -5.623 1.00 0.14 N ATOM 622 CA TRP A 246 2.315 -0.986 -4.834 1.00 0.13 C ATOM 623 C TRP A 246 1.662 -1.970 -5.772 1.00 0.14 C ATOM 624 O TRP A 246 1.807 -1.854 -6.980 1.00 0.14 O ATOM 625 CB TRP A 246 1.333 -0.354 -3.827 1.00 0.14 C ATOM 626 CG TRP A 246 2.000 0.640 -2.897 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.553 1.835 -3.257 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.212 0.533 -1.469 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.080 2.468 -2.165 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.890 1.701 -1.066 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.907 -0.417 -0.489 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.257 1.948 0.248 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.281 -0.160 0.826 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.948 1.014 1.174 1.00 0.15 C ATOM 0 H TRP A 246 2.443 0.453 -6.356 1.00 0.14 H new ATOM 0 HA TRP A 246 3.032 -1.525 -4.215 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.533 0.147 -4.373 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.869 -1.143 -3.235 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.572 2.226 -4.264 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.544 3.376 -2.177 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.392 -1.331 -0.748 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.773 2.857 0.522 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.050 -0.884 1.593 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.223 1.180 2.205 1.00 0.15 H new ATOM 645 N LEU A 247 1.222 -3.073 -5.257 1.00 0.15 N ATOM 646 CA LEU A 247 0.715 -4.125 -6.097 1.00 0.14 C ATOM 647 C LEU A 247 -0.742 -4.387 -5.734 1.00 0.15 C ATOM 648 O LEU A 247 -1.072 -4.542 -4.572 1.00 0.16 O ATOM 649 CB LEU A 247 1.571 -5.383 -5.907 1.00 0.15 C ATOM 650 CG LEU A 247 2.503 -5.802 -7.050 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.881 -6.934 -7.858 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.839 -4.623 -7.945 1.00 0.17 C ATOM 0 H LEU A 247 1.201 -3.275 -4.257 1.00 0.15 H new ATOM 0 HA LEU A 247 0.765 -3.835 -7.147 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.181 -5.240 -5.015 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.898 -6.216 -5.703 1.00 0.15 H new ATOM 0 HG LEU A 247 3.434 -6.162 -6.611 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.556 -7.219 -8.665 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.709 -7.793 -7.209 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.932 -6.602 -8.279 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.501 -4.951 -8.746 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.922 -4.219 -8.375 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.335 -3.850 -7.358 1.00 0.17 H new ATOM 664 N LYS A 248 -1.587 -4.509 -6.727 1.00 0.19 N ATOM 665 CA LYS A 248 -2.968 -4.902 -6.509 1.00 0.25 C ATOM 666 C LYS A 248 -3.016 -6.399 -6.630 1.00 0.25 C ATOM 667 O LYS A 248 -2.078 -6.967 -7.175 1.00 0.21 O ATOM 668 CB LYS A 248 -3.884 -4.244 -7.548 1.00 0.34 C ATOM 669 CG LYS A 248 -5.357 -4.240 -7.174 1.00 0.77 C ATOM 670 CD LYS A 248 -6.169 -3.394 -8.143 1.00 0.95 C ATOM 671 CE LYS A 248 -7.619 -3.260 -7.704 1.00 1.57 C ATOM 672 NZ LYS A 248 -8.322 -4.570 -7.697 1.00 2.06 N ATOM 0 H LYS A 248 -1.346 -4.342 -7.704 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.316 -4.581 -5.527 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -3.558 -3.215 -7.702 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.765 -4.762 -8.500 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.737 -5.262 -7.173 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.477 -3.854 -6.162 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -5.721 -2.403 -8.223 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.131 -3.842 -9.136 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -7.657 -2.823 -6.706 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -8.138 -2.573 -8.373 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -9.327 -4.423 -7.475 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.236 -5.015 -8.633 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.895 -5.189 -6.979 1.00 2.06 H new ATOM 686 N ASN A 249 -3.936 -7.041 -5.928 1.00 0.34 N ATOM 687 CA ASN A 249 -3.961 -8.498 -5.860 1.00 0.40 C ATOM 688 C ASN A 249 -3.611 -9.104 -7.212 1.00 0.35 C ATOM 689 O ASN A 249 -4.398 -9.033 -8.152 1.00 0.35 O ATOM 690 CB ASN A 249 -5.346 -8.966 -5.433 1.00 0.61 C ATOM 691 CG ASN A 249 -5.364 -10.408 -4.991 1.00 0.75 C ATOM 692 OD1 ASN A 249 -5.418 -10.595 -3.691 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -5.305 -11.335 -5.800 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.675 -6.580 -5.397 1.00 0.34 H new ATOM 0 HA ASN A 249 -3.221 -8.826 -5.129 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -5.702 -8.336 -4.618 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -6.041 -8.836 -6.263 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -5.265 -11.138 -6.800 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -5.296 -12.300 -5.470 1.00 1.19 H new ATOM 700 N GLY A 250 -2.376 -9.581 -7.320 1.00 0.35 N ATOM 701 CA GLY A 250 -1.863 -10.092 -8.574 1.00 0.35 C ATOM 702 C GLY A 250 -1.298 -9.029 -9.512 1.00 0.33 C ATOM 703 O GLY A 250 -0.258 -9.260 -10.126 1.00 0.39 O ATOM 0 H GLY A 250 -1.713 -9.622 -6.546 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -1.082 -10.822 -8.361 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.663 -10.623 -9.089 1.00 0.35 H new ATOM 707 N GLN A 251 -1.989 -7.905 -9.697 1.00 0.30 N ATOM 708 CA GLN A 251 -1.543 -6.913 -10.684 1.00 0.36 C ATOM 709 C GLN A 251 -0.768 -5.762 -10.062 1.00 0.25 C ATOM 710 O GLN A 251 -0.644 -5.651 -8.851 1.00 0.28 O ATOM 711 CB GLN A 251 -2.701 -6.347 -11.497 1.00 0.52 C ATOM 712 CG GLN A 251 -3.445 -7.386 -12.323 1.00 1.28 C ATOM 713 CD GLN A 251 -2.541 -8.139 -13.285 1.00 2.00 C ATOM 714 OE1 GLN A 251 -1.700 -8.937 -12.874 1.00 2.77 O ATOM 715 NE2 GLN A 251 -2.708 -7.893 -14.573 1.00 2.59 N ATOM 0 H GLN A 251 -2.840 -7.658 -9.192 1.00 0.30 H new ATOM 0 HA GLN A 251 -0.873 -7.461 -11.346 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.405 -5.865 -10.819 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -2.319 -5.574 -12.164 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -3.926 -8.098 -11.653 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -4.237 -6.894 -12.887 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -3.416 -7.224 -14.877 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -2.129 -8.372 -15.263 1.00 2.59 H new ATOM 724 N GLU A 252 -0.135 -4.981 -10.911 1.00 0.26 N ATOM 725 CA GLU A 252 0.767 -3.946 -10.453 1.00 0.25 C ATOM 726 C GLU A 252 0.086 -2.594 -10.288 1.00 0.27 C ATOM 727 O GLU A 252 -0.739 -2.186 -11.106 1.00 0.32 O ATOM 728 CB GLU A 252 1.951 -3.862 -11.390 1.00 0.32 C ATOM 729 CG GLU A 252 2.732 -5.160 -11.406 1.00 0.60 C ATOM 730 CD GLU A 252 2.258 -6.134 -12.466 1.00 1.05 C ATOM 731 OE1 GLU A 252 1.340 -5.777 -13.236 1.00 1.49 O ATOM 732 OE2 GLU A 252 2.790 -7.262 -12.529 1.00 1.60 O ATOM 0 H GLU A 252 -0.229 -5.043 -11.925 1.00 0.26 H new ATOM 0 HA GLU A 252 1.113 -4.221 -9.457 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.605 -3.631 -12.397 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.604 -3.046 -11.082 1.00 0.32 H new ATOM 0 HG2 GLU A 252 3.786 -4.939 -11.571 1.00 0.60 H new ATOM 0 HG3 GLU A 252 2.655 -5.634 -10.427 1.00 0.60 H new ATOM 739 N ILE A 253 0.415 -1.940 -9.185 1.00 0.23 N ATOM 740 CA ILE A 253 -0.159 -0.658 -8.814 1.00 0.27 C ATOM 741 C ILE A 253 0.903 0.452 -8.873 1.00 0.28 C ATOM 742 O ILE A 253 1.915 0.421 -8.156 1.00 0.28 O ATOM 743 CB ILE A 253 -0.777 -0.775 -7.395 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.237 -1.194 -7.467 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.625 0.489 -6.575 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.841 -1.448 -6.103 1.00 0.33 C ATOM 0 H ILE A 253 1.098 -2.291 -8.513 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.943 -0.389 -9.522 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.212 -1.552 -6.881 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.809 -0.417 -7.974 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.322 -2.097 -8.071 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.077 0.343 -5.594 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.433 0.720 -6.456 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.122 1.315 -7.084 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.884 -1.744 -6.216 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.290 -2.245 -5.604 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.785 -0.538 -5.505 1.00 0.33 H new ATOM 758 N GLN A 254 0.686 1.409 -9.762 1.00 0.36 N ATOM 759 CA GLN A 254 1.621 2.510 -9.943 1.00 0.43 C ATOM 760 C GLN A 254 1.291 3.655 -8.987 1.00 0.61 C ATOM 761 O GLN A 254 1.362 3.495 -7.771 1.00 1.42 O ATOM 762 CB GLN A 254 1.623 3.006 -11.396 1.00 0.70 C ATOM 763 CG GLN A 254 2.298 2.059 -12.382 1.00 1.00 C ATOM 764 CD GLN A 254 1.522 0.776 -12.607 1.00 1.75 C ATOM 765 OE1 GLN A 254 0.373 0.801 -13.043 1.00 2.63 O ATOM 766 NE2 GLN A 254 2.143 -0.354 -12.310 1.00 2.21 N ATOM 0 H GLN A 254 -0.131 1.446 -10.371 1.00 0.36 H new ATOM 0 HA GLN A 254 2.621 2.141 -9.714 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.593 3.168 -11.713 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.125 3.973 -11.437 1.00 0.70 H new ATOM 0 HG2 GLN A 254 2.427 2.570 -13.336 1.00 1.00 H new ATOM 0 HG3 GLN A 254 3.295 1.813 -12.015 1.00 1.00 H new ATOM 0 HE21 GLN A 254 3.097 -0.332 -11.950 1.00 2.21 H new ATOM 0 HE22 GLN A 254 1.668 -1.247 -12.441 1.00 2.21 H new ATOM 775 N MET A 255 0.944 4.810 -9.544 1.00 0.59 N ATOM 776 CA MET A 255 0.632 5.985 -8.746 1.00 0.61 C ATOM 777 C MET A 255 -0.315 6.908 -9.501 1.00 0.65 C ATOM 778 O MET A 255 -0.280 6.969 -10.730 1.00 0.95 O ATOM 779 CB MET A 255 1.920 6.726 -8.345 1.00 0.95 C ATOM 780 CG MET A 255 2.927 6.921 -9.476 1.00 1.58 C ATOM 781 SD MET A 255 2.475 8.232 -10.633 1.00 2.30 S ATOM 782 CE MET A 255 3.832 8.134 -11.799 1.00 2.61 C ATOM 0 H MET A 255 0.872 4.956 -10.551 1.00 0.59 H new ATOM 0 HA MET A 255 0.132 5.660 -7.834 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.650 7.704 -7.946 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.403 6.174 -7.539 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.903 7.148 -9.047 1.00 1.58 H new ATOM 0 HG3 MET A 255 3.030 5.985 -10.024 1.00 1.58 H new ATOM 0 HE1 MET A 255 3.697 8.884 -12.578 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.772 8.316 -11.279 1.00 2.61 H new ATOM 0 HE3 MET A 255 3.853 7.142 -12.250 1.00 2.61 H new ATOM 792 N SER A 256 -1.243 7.514 -8.775 1.00 0.57 N ATOM 793 CA SER A 256 -2.274 8.343 -9.383 1.00 0.69 C ATOM 794 C SER A 256 -2.895 9.266 -8.341 1.00 1.00 C ATOM 795 O SER A 256 -2.653 9.111 -7.141 1.00 1.47 O ATOM 796 CB SER A 256 -3.350 7.457 -10.027 1.00 0.76 C ATOM 797 OG SER A 256 -4.321 8.221 -10.725 1.00 1.64 O ATOM 0 H SER A 256 -1.303 7.447 -7.759 1.00 0.57 H new ATOM 0 HA SER A 256 -1.819 8.959 -10.159 1.00 0.69 H new ATOM 0 HB2 SER A 256 -2.878 6.756 -10.715 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.841 6.865 -9.255 1.00 0.76 H new ATOM 0 HG SER A 256 -4.986 7.621 -11.121 1.00 1.64 H new ATOM 803 N GLY A 257 -3.606 10.283 -8.810 1.00 1.01 N ATOM 804 CA GLY A 257 -4.192 11.263 -7.919 1.00 1.41 C ATOM 805 C GLY A 257 -5.451 10.766 -7.236 1.00 1.28 C ATOM 806 O GLY A 257 -5.762 11.186 -6.122 1.00 1.69 O ATOM 0 H GLY A 257 -3.788 10.447 -9.800 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.460 11.540 -7.161 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.424 12.166 -8.484 1.00 1.41 H new ATOM 810 N SER A 258 -6.245 9.975 -7.947 1.00 1.07 N ATOM 811 CA SER A 258 -7.533 9.530 -7.427 1.00 0.96 C ATOM 812 C SER A 258 -7.493 8.072 -6.973 1.00 0.74 C ATOM 813 O SER A 258 -8.536 7.469 -6.713 1.00 1.14 O ATOM 814 CB SER A 258 -8.614 9.733 -8.489 1.00 1.08 C ATOM 815 OG SER A 258 -8.130 9.395 -9.781 1.00 1.77 O ATOM 0 H SER A 258 -6.022 9.630 -8.880 1.00 1.07 H new ATOM 0 HA SER A 258 -7.768 10.132 -6.549 1.00 0.96 H new ATOM 0 HB2 SER A 258 -9.483 9.119 -8.250 1.00 1.08 H new ATOM 0 HB3 SER A 258 -8.946 10.771 -8.481 1.00 1.08 H new ATOM 0 HG SER A 258 -8.840 9.532 -10.442 1.00 1.77 H new ATOM 821 N LYS A 259 -6.283 7.537 -6.840 1.00 0.51 N ATOM 822 CA LYS A 259 -6.062 6.165 -6.393 1.00 0.37 C ATOM 823 C LYS A 259 -4.577 5.861 -6.504 1.00 0.33 C ATOM 824 O LYS A 259 -3.913 6.432 -7.359 1.00 0.45 O ATOM 825 CB LYS A 259 -6.870 5.170 -7.233 1.00 0.48 C ATOM 826 CG LYS A 259 -7.199 3.884 -6.496 1.00 1.11 C ATOM 827 CD LYS A 259 -8.267 3.068 -7.210 1.00 1.59 C ATOM 828 CE LYS A 259 -8.729 1.896 -6.351 1.00 2.02 C ATOM 829 NZ LYS A 259 -9.811 1.113 -6.999 1.00 2.41 N ATOM 0 H LYS A 259 -5.422 8.046 -7.041 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.394 6.064 -5.360 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -7.798 5.645 -7.552 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.309 4.929 -8.136 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -6.294 3.285 -6.394 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -7.539 4.122 -5.488 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -9.118 3.706 -7.448 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -7.873 2.696 -8.156 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -7.882 1.241 -6.148 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -9.080 2.270 -5.389 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -9.928 0.206 -6.503 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -10.701 1.649 -6.956 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -9.563 0.934 -7.993 1.00 2.41 H new ATOM 843 N TYR A 260 -4.042 5.019 -5.618 1.00 0.24 N ATOM 844 CA TYR A 260 -2.608 4.708 -5.624 1.00 0.27 C ATOM 845 C TYR A 260 -1.802 5.983 -5.386 1.00 0.27 C ATOM 846 O TYR A 260 -0.920 6.339 -6.169 1.00 0.29 O ATOM 847 CB TYR A 260 -2.195 4.057 -6.954 1.00 0.33 C ATOM 848 CG TYR A 260 -3.162 2.995 -7.429 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.806 2.169 -6.522 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.448 2.837 -8.778 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.706 1.214 -6.939 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.351 1.883 -9.207 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.978 1.073 -8.282 1.00 0.95 C ATOM 854 OH TYR A 260 -5.877 0.120 -8.702 1.00 1.24 O ATOM 0 H TYR A 260 -4.575 4.542 -4.891 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.402 3.999 -4.822 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -2.112 4.830 -7.718 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.206 3.613 -6.841 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.598 2.276 -5.468 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.957 3.469 -9.503 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.196 0.578 -6.216 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.565 1.772 -10.260 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.956 0.152 -9.678 1.00 1.24 H new ATOM 864 N ILE A 261 -2.201 6.726 -4.370 1.00 0.26 N ATOM 865 CA ILE A 261 -1.596 8.012 -4.072 1.00 0.27 C ATOM 866 C ILE A 261 -0.360 7.840 -3.193 1.00 0.28 C ATOM 867 O ILE A 261 -0.434 7.233 -2.132 1.00 0.35 O ATOM 868 CB ILE A 261 -2.604 8.915 -3.339 1.00 0.29 C ATOM 869 CG1 ILE A 261 -3.903 9.039 -4.136 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.002 10.278 -3.079 1.00 0.33 C ATOM 871 CD1 ILE A 261 -4.980 9.814 -3.409 1.00 0.39 C ATOM 0 H ILE A 261 -2.949 6.457 -3.731 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.304 8.471 -5.017 1.00 0.27 H new ATOM 0 HB ILE A 261 -2.840 8.455 -2.379 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.692 9.528 -5.087 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.276 8.041 -4.367 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.728 10.904 -2.560 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.110 10.170 -2.462 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.734 10.744 -4.027 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.874 9.864 -4.030 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.218 9.313 -2.470 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.625 10.824 -3.202 1.00 0.39 H new ATOM 883 N PHE A 262 0.760 8.417 -3.591 1.00 0.30 N ATOM 884 CA PHE A 262 1.961 8.339 -2.769 1.00 0.32 C ATOM 885 C PHE A 262 1.970 9.417 -1.683 1.00 0.30 C ATOM 886 O PHE A 262 1.602 10.568 -1.924 1.00 0.37 O ATOM 887 CB PHE A 262 3.239 8.401 -3.625 1.00 0.46 C ATOM 888 CG PHE A 262 3.243 9.447 -4.714 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.068 10.783 -4.393 1.00 0.87 C ATOM 890 CD2 PHE A 262 3.399 9.102 -6.047 1.00 0.84 C ATOM 891 CE1 PHE A 262 3.051 11.752 -5.376 1.00 1.13 C ATOM 892 CE2 PHE A 262 3.387 10.068 -7.036 1.00 1.09 C ATOM 893 CZ PHE A 262 3.287 11.353 -6.739 1.00 1.18 C ATOM 0 H PHE A 262 0.866 8.937 -4.462 1.00 0.30 H new ATOM 0 HA PHE A 262 1.946 7.370 -2.271 1.00 0.32 H new ATOM 0 HB2 PHE A 262 4.088 8.584 -2.966 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.396 7.424 -4.083 1.00 0.46 H new ATOM 0 HD1 PHE A 262 2.943 11.071 -3.359 1.00 0.87 H new ATOM 0 HD2 PHE A 262 3.532 8.065 -6.317 1.00 0.84 H new ATOM 0 HE1 PHE A 262 2.865 12.787 -5.128 1.00 1.13 H new ATOM 0 HE2 PHE A 262 3.461 9.768 -8.071 1.00 1.09 H new ATOM 0 HZ PHE A 262 3.382 12.099 -7.515 1.00 1.18 H new ATOM 903 N GLU A 263 2.334 9.019 -0.471 1.00 0.26 N ATOM 904 CA GLU A 263 2.357 9.925 0.674 1.00 0.30 C ATOM 905 C GLU A 263 3.456 9.480 1.635 1.00 0.28 C ATOM 906 O GLU A 263 3.681 8.286 1.782 1.00 0.33 O ATOM 907 CB GLU A 263 0.994 9.898 1.373 1.00 0.37 C ATOM 908 CG GLU A 263 0.428 11.270 1.687 1.00 0.56 C ATOM 909 CD GLU A 263 1.301 12.069 2.628 1.00 1.07 C ATOM 910 OE1 GLU A 263 1.474 11.650 3.790 1.00 1.79 O ATOM 911 OE2 GLU A 263 1.819 13.121 2.211 1.00 1.73 O ATOM 0 H GLU A 263 2.620 8.065 -0.253 1.00 0.26 H new ATOM 0 HA GLU A 263 2.560 10.944 0.343 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.286 9.361 0.742 1.00 0.37 H new ATOM 0 HB3 GLU A 263 1.086 9.334 2.301 1.00 0.37 H new ATOM 0 HG2 GLU A 263 0.301 11.826 0.758 1.00 0.56 H new ATOM 0 HG3 GLU A 263 -0.562 11.156 2.128 1.00 0.56 H new ATOM 918 N SER A 264 4.224 10.410 2.183 1.00 0.34 N ATOM 919 CA SER A 264 5.355 10.035 3.022 1.00 0.36 C ATOM 920 C SER A 264 5.268 10.693 4.395 1.00 0.34 C ATOM 921 O SER A 264 5.110 11.911 4.506 1.00 0.39 O ATOM 922 CB SER A 264 6.669 10.413 2.336 1.00 0.46 C ATOM 923 OG SER A 264 7.753 9.658 2.854 1.00 1.41 O ATOM 0 H SER A 264 4.089 11.414 2.066 1.00 0.34 H new ATOM 0 HA SER A 264 5.325 8.955 3.165 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.584 10.243 1.263 1.00 0.46 H new ATOM 0 HB3 SER A 264 6.863 11.476 2.476 1.00 0.46 H new ATOM 0 HG SER A 264 8.580 9.918 2.397 1.00 1.41 H new ATOM 929 N ILE A 265 5.419 9.884 5.438 1.00 0.31 N ATOM 930 CA ILE A 265 5.391 10.374 6.810 1.00 0.34 C ATOM 931 C ILE A 265 6.653 9.949 7.562 1.00 0.38 C ATOM 932 O ILE A 265 6.745 8.817 8.042 1.00 0.42 O ATOM 933 CB ILE A 265 4.150 9.853 7.572 1.00 0.42 C ATOM 934 CG1 ILE A 265 2.865 10.339 6.901 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.183 10.295 9.032 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.705 11.845 6.899 1.00 1.31 C ATOM 0 H ILE A 265 5.563 8.878 5.357 1.00 0.31 H new ATOM 0 HA ILE A 265 5.343 11.462 6.761 1.00 0.34 H new ATOM 0 HB ILE A 265 4.169 8.764 7.543 1.00 0.42 H new ATOM 0 HG12 ILE A 265 2.846 9.980 5.872 1.00 0.82 H new ATOM 0 HG13 ILE A 265 2.010 9.893 7.410 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.300 9.916 9.547 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.079 9.901 9.511 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.193 11.384 9.082 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.770 12.111 6.406 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.690 12.211 7.926 1.00 1.31 H new ATOM 0 HD13 ILE A 265 3.539 12.299 6.364 1.00 1.31 H new ATOM 948 N GLY A 266 7.613 10.865 7.667 1.00 0.48 N ATOM 949 CA GLY A 266 8.838 10.596 8.408 1.00 0.65 C ATOM 950 C GLY A 266 9.482 9.278 8.023 1.00 0.86 C ATOM 951 O GLY A 266 9.600 8.380 8.863 1.00 1.93 O ATOM 0 H GLY A 266 7.565 11.795 7.250 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.547 11.406 8.235 1.00 0.65 H new ATOM 0 HA3 GLY A 266 8.617 10.589 9.475 1.00 0.65 H new ATOM 955 N ALA A 267 9.749 9.123 6.722 1.00 0.48 N ATOM 956 CA ALA A 267 10.250 7.873 6.139 1.00 0.39 C ATOM 957 C ALA A 267 9.141 6.855 5.976 1.00 0.30 C ATOM 958 O ALA A 267 9.156 6.071 5.024 1.00 0.32 O ATOM 959 CB ALA A 267 11.369 7.257 6.948 1.00 0.44 C ATOM 0 H ALA A 267 9.622 9.868 6.037 1.00 0.48 H new ATOM 0 HA ALA A 267 10.646 8.143 5.160 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.699 6.335 6.469 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.204 7.956 7.005 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.012 7.035 7.954 1.00 0.44 H new ATOM 965 N LYS A 268 8.215 6.816 6.925 1.00 0.26 N ATOM 966 CA LYS A 268 7.131 5.867 6.845 1.00 0.25 C ATOM 967 C LYS A 268 6.233 6.231 5.683 1.00 0.29 C ATOM 968 O LYS A 268 5.596 7.283 5.659 1.00 0.47 O ATOM 969 CB LYS A 268 6.355 5.796 8.158 1.00 0.28 C ATOM 970 CG LYS A 268 7.103 5.039 9.243 1.00 0.30 C ATOM 971 CD LYS A 268 6.402 5.162 10.586 1.00 0.41 C ATOM 972 CE LYS A 268 7.086 4.329 11.658 1.00 1.20 C ATOM 973 NZ LYS A 268 8.530 4.657 11.792 1.00 2.00 N ATOM 0 H LYS A 268 8.198 7.423 7.744 1.00 0.26 H new ATOM 0 HA LYS A 268 7.541 4.872 6.673 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.145 6.807 8.506 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.394 5.313 7.981 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.183 3.988 8.967 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.119 5.425 9.324 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.386 6.208 10.893 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.364 4.844 10.485 1.00 0.41 H new ATOM 0 HE2 LYS A 268 6.588 4.492 12.614 1.00 1.20 H new ATOM 0 HE3 LYS A 268 6.977 3.271 11.418 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 9.062 3.794 12.022 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 8.881 5.052 10.896 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.658 5.355 12.552 1.00 2.00 H new ATOM 987 N ARG A 269 6.321 5.418 4.657 1.00 0.16 N ATOM 988 CA ARG A 269 5.653 5.692 3.415 1.00 0.16 C ATOM 989 C ARG A 269 4.208 5.234 3.464 1.00 0.18 C ATOM 990 O ARG A 269 3.859 4.321 4.202 1.00 0.17 O ATOM 991 CB ARG A 269 6.391 5.022 2.262 1.00 0.20 C ATOM 992 CG ARG A 269 5.771 5.300 0.923 1.00 0.53 C ATOM 993 CD ARG A 269 5.891 6.768 0.537 1.00 0.79 C ATOM 994 NE ARG A 269 7.281 7.219 0.429 1.00 0.69 N ATOM 995 CZ ARG A 269 7.649 8.337 -0.206 1.00 0.97 C ATOM 996 NH1 ARG A 269 6.750 9.042 -0.885 1.00 1.85 N ATOM 997 NH2 ARG A 269 8.909 8.753 -0.162 1.00 1.17 N ATOM 0 H ARG A 269 6.858 4.551 4.663 1.00 0.16 H new ATOM 0 HA ARG A 269 5.657 6.770 3.253 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.426 5.364 2.254 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.412 3.945 2.429 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.254 4.684 0.164 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.719 5.014 0.943 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.387 6.930 -0.416 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.374 7.377 1.279 1.00 0.79 H new ATOM 0 HE ARG A 269 8.008 6.649 0.862 1.00 0.69 H new ATOM 0 HH11 ARG A 269 5.779 8.730 -0.922 1.00 1.85 H new ATOM 0 HH12 ARG A 269 7.031 9.895 -1.369 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.605 8.219 0.359 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.181 9.607 -0.649 1.00 1.17 H new ATOM 1011 N THR A 270 3.356 5.944 2.758 1.00 0.18 N ATOM 1012 CA THR A 270 1.950 5.638 2.742 1.00 0.18 C ATOM 1013 C THR A 270 1.392 5.677 1.323 1.00 0.19 C ATOM 1014 O THR A 270 1.599 6.647 0.584 1.00 0.22 O ATOM 1015 CB THR A 270 1.172 6.630 3.620 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.753 6.691 4.931 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.279 6.218 3.725 1.00 0.24 C ATOM 0 H THR A 270 3.620 6.744 2.183 1.00 0.18 H new ATOM 0 HA THR A 270 1.830 4.630 3.139 1.00 0.18 H new ATOM 0 HB THR A 270 1.227 7.615 3.157 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.251 7.327 5.482 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.815 6.932 4.350 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.725 6.200 2.731 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.344 5.225 4.170 1.00 0.24 H new ATOM 1025 N LEU A 271 0.640 4.643 0.976 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.059 4.602 -0.299 1.00 0.17 C ATOM 1027 C LEU A 271 -1.530 4.921 -0.072 1.00 0.16 C ATOM 1028 O LEU A 271 -2.280 4.078 0.407 1.00 0.17 O ATOM 1029 CB LEU A 271 0.085 3.215 -0.936 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.346 3.076 -2.405 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.852 2.911 -2.532 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.137 4.263 -3.221 1.00 0.49 C ATOM 0 H LEU A 271 0.498 3.820 1.561 1.00 0.17 H new ATOM 0 HA LEU A 271 0.375 5.340 -0.974 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.130 2.913 -0.859 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.496 2.508 -0.344 1.00 0.20 H new ATOM 0 HG LEU A 271 0.118 2.173 -2.801 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.120 2.816 -3.584 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.167 2.016 -1.995 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.351 3.783 -2.108 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.179 4.145 -4.258 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.288 5.181 -2.815 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.225 4.316 -3.177 1.00 0.49 H new ATOM 1044 N THR A 272 -1.945 6.130 -0.387 1.00 0.18 N ATOM 1045 CA THR A 272 -3.327 6.508 -0.197 1.00 0.21 C ATOM 1046 C THR A 272 -4.196 5.918 -1.308 1.00 0.22 C ATOM 1047 O THR A 272 -4.011 6.209 -2.494 1.00 0.29 O ATOM 1048 CB THR A 272 -3.497 8.035 -0.149 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.382 8.631 0.535 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.782 8.400 0.574 1.00 0.30 C ATOM 0 H THR A 272 -1.349 6.862 -0.773 1.00 0.18 H new ATOM 0 HA THR A 272 -3.649 6.106 0.764 1.00 0.21 H new ATOM 0 HB THR A 272 -3.542 8.411 -1.171 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.496 9.604 0.560 1.00 0.33 H new ATOM 0 HG21 THR A 272 -4.889 9.484 0.600 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.632 7.964 0.048 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.749 8.014 1.593 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.092 5.037 -0.913 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.988 4.368 -1.834 1.00 0.26 C ATOM 1060 C ILE A 273 -7.382 4.982 -1.734 1.00 0.28 C ATOM 1061 O ILE A 273 -8.006 4.982 -0.663 1.00 0.27 O ATOM 1062 CB ILE A 273 -6.017 2.832 -1.562 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.266 2.077 -2.658 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.434 2.285 -1.447 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -5.989 2.073 -3.981 1.00 0.86 C ATOM 0 H ILE A 273 -5.220 4.763 0.061 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.624 4.508 -2.852 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.523 2.678 -0.603 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.282 2.527 -2.791 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.105 1.048 -2.336 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.396 1.212 -1.258 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.950 2.780 -0.624 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.972 2.470 -2.377 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.402 1.521 -4.715 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -6.962 1.597 -3.862 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.126 3.099 -4.324 1.00 0.86 H new ATOM 1077 N SER A 274 -7.818 5.569 -2.839 1.00 0.33 N ATOM 1078 CA SER A 274 -9.115 6.216 -2.924 1.00 0.39 C ATOM 1079 C SER A 274 -10.050 5.345 -3.746 1.00 0.45 C ATOM 1080 O SER A 274 -9.580 4.552 -4.564 1.00 0.50 O ATOM 1081 CB SER A 274 -8.974 7.593 -3.579 1.00 0.52 C ATOM 1082 OG SER A 274 -7.904 8.327 -3.008 1.00 1.13 O ATOM 0 H SER A 274 -7.279 5.609 -3.704 1.00 0.33 H new ATOM 0 HA SER A 274 -9.522 6.348 -1.922 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.806 7.474 -4.649 1.00 0.52 H new ATOM 0 HB3 SER A 274 -9.903 8.150 -3.463 1.00 0.52 H new ATOM 0 HG SER A 274 -7.989 9.272 -3.252 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.356 5.452 -3.500 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.339 4.638 -4.211 1.00 0.62 C ATOM 1090 C GLN A 275 -12.069 3.163 -3.946 1.00 0.62 C ATOM 1091 O GLN A 275 -11.625 2.422 -4.826 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.301 4.933 -5.712 1.00 0.75 C ATOM 1093 CG GLN A 275 -12.432 6.408 -6.044 1.00 0.90 C ATOM 1094 CD GLN A 275 -12.278 6.698 -7.527 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -12.022 5.664 -8.314 1.00 2.14 O flip ATOM 1096 NE2 GLN A 275 -12.381 7.845 -7.963 1.00 2.27 N flip ATOM 0 H GLN A 275 -11.756 6.093 -2.815 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.336 4.887 -3.846 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.364 4.558 -6.124 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.106 4.386 -6.202 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -13.406 6.765 -5.709 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -11.679 6.968 -5.490 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -12.579 8.617 -7.326 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -12.268 8.023 -8.961 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.275 2.767 -2.704 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.986 1.437 -2.264 1.00 0.69 C ATOM 1107 C CYS A 276 -12.731 1.211 -0.985 1.00 0.75 C ATOM 1108 O CYS A 276 -12.673 2.031 -0.064 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.483 1.257 -2.052 1.00 0.80 C ATOM 1110 SG CYS A 276 -10.024 -0.260 -1.181 1.00 2.00 S ATOM 0 H CYS A 276 -12.651 3.373 -1.975 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.297 0.712 -3.016 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.988 1.267 -3.023 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -10.103 2.111 -1.492 1.00 0.80 H new ATOM 0 HG CYS A 276 -11.098 -0.923 -0.869 1.00 2.00 H new ATOM 1116 N SER A 277 -13.581 0.229 -1.006 1.00 0.54 N ATOM 1117 CA SER A 277 -14.452 -0.006 0.095 1.00 0.52 C ATOM 1118 C SER A 277 -14.863 -1.473 0.099 1.00 0.48 C ATOM 1119 O SER A 277 -14.023 -2.345 -0.123 1.00 0.47 O ATOM 1120 CB SER A 277 -15.671 0.915 -0.004 1.00 0.56 C ATOM 1121 OG SER A 277 -16.345 0.750 -1.237 1.00 0.63 O ATOM 0 H SER A 277 -13.687 -0.424 -1.782 1.00 0.54 H new ATOM 0 HA SER A 277 -13.942 0.214 1.033 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.356 0.704 0.817 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.354 1.953 0.103 1.00 0.56 H new ATOM 0 HG SER A 277 -17.119 1.350 -1.269 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.154 -1.741 0.267 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.667 -3.106 0.276 1.00 0.54 C ATOM 1129 C LEU A 278 -16.703 -3.706 -1.133 1.00 0.58 C ATOM 1130 O LEU A 278 -17.721 -4.248 -1.562 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.068 -3.139 0.892 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.156 -3.730 2.300 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.811 -5.211 2.278 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.234 -2.984 3.249 1.00 0.79 C ATOM 0 H LEU A 278 -16.868 -1.025 0.400 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.990 -3.709 0.880 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.458 -2.121 0.919 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.721 -3.713 0.235 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.180 -3.619 2.656 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.879 -5.615 3.288 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.510 -5.738 1.629 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.797 -5.343 1.902 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.310 -3.418 4.246 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.206 -3.064 2.895 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.524 -1.934 3.287 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.588 -3.608 -1.839 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.470 -4.148 -3.181 1.00 0.61 C ATOM 1148 C ALA A 279 -14.007 -4.402 -3.514 1.00 0.58 C ATOM 1149 O ALA A 279 -13.644 -5.489 -3.953 1.00 0.62 O ATOM 1150 CB ALA A 279 -16.098 -3.210 -4.204 1.00 0.71 C ATOM 0 H ALA A 279 -14.742 -3.153 -1.497 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.009 -5.094 -3.221 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.996 -3.638 -5.201 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.155 -3.075 -3.973 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.593 -2.245 -4.170 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.153 -3.417 -3.234 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.717 -3.567 -3.476 1.00 0.59 C ATOM 1158 C ASP A 280 -11.050 -4.407 -2.385 1.00 0.50 C ATOM 1159 O ASP A 280 -9.832 -4.594 -2.392 1.00 0.70 O ATOM 1160 CB ASP A 280 -11.041 -2.198 -3.585 1.00 0.70 C ATOM 1161 CG ASP A 280 -11.305 -1.516 -4.918 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -12.484 -1.333 -5.277 1.00 1.84 O ATOM 1163 OD2 ASP A 280 -10.332 -1.162 -5.616 1.00 1.77 O ATOM 0 H ASP A 280 -13.426 -2.515 -2.843 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.596 -4.092 -4.423 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.396 -1.557 -2.778 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.966 -2.317 -3.449 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.876 -5.002 -1.523 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.418 -5.951 -0.509 1.00 0.33 C ATOM 1170 C ASP A 281 -10.731 -7.137 -1.180 1.00 0.34 C ATOM 1171 O ASP A 281 -11.358 -7.869 -1.951 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.620 -6.436 0.314 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.307 -7.615 1.221 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.532 -7.457 2.180 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -12.867 -8.708 0.994 1.00 0.81 O ATOM 0 H ASP A 281 -12.883 -4.839 -1.509 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.704 -5.460 0.151 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -12.989 -5.610 0.922 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.425 -6.716 -0.366 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.434 -7.277 -0.933 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.620 -8.309 -1.575 1.00 0.37 C ATOM 1182 C ALA A 282 -7.224 -8.332 -0.958 1.00 0.35 C ATOM 1183 O ALA A 282 -7.083 -8.586 0.234 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.539 -8.076 -3.082 1.00 0.48 C ATOM 0 H ALA A 282 -8.916 -6.683 -0.286 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.092 -9.277 -1.410 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.929 -8.855 -3.538 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.542 -8.104 -3.509 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.089 -7.102 -3.276 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.204 -7.985 -1.745 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.847 -7.849 -1.220 1.00 0.17 C ATOM 1192 C ALA A 283 -4.067 -6.822 -2.026 1.00 0.15 C ATOM 1193 O ALA A 283 -4.092 -6.851 -3.257 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.117 -9.185 -1.215 1.00 0.22 C ATOM 0 H ALA A 283 -6.292 -7.794 -2.743 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.921 -7.505 -0.188 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.111 -9.048 -0.819 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.660 -9.894 -0.590 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.057 -9.571 -2.233 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.327 -5.962 -1.338 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.464 -4.992 -2.011 1.00 0.13 C ATOM 1202 C TYR A 284 -1.025 -5.152 -1.524 1.00 0.14 C ATOM 1203 O TYR A 284 -0.713 -4.888 -0.370 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.927 -3.534 -1.793 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.143 -3.103 -2.607 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.097 -4.020 -3.032 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.324 -1.765 -2.967 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.190 -3.628 -3.780 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.414 -1.370 -3.716 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.342 -2.302 -4.118 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.424 -1.906 -4.868 1.00 0.41 O ATOM 0 H TYR A 284 -3.305 -5.914 -0.319 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.525 -5.196 -3.080 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.152 -3.397 -0.735 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.097 -2.868 -2.031 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.981 -5.062 -2.772 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.599 -1.028 -2.654 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.921 -4.357 -4.098 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.538 -0.332 -3.986 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.382 -0.938 -5.018 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.154 -5.579 -2.419 1.00 0.13 N ATOM 1222 CA GLN A 285 1.252 -5.764 -2.110 1.00 0.13 C ATOM 1223 C GLN A 285 1.994 -4.431 -2.205 1.00 0.12 C ATOM 1224 O GLN A 285 1.451 -3.453 -2.707 1.00 0.13 O ATOM 1225 CB GLN A 285 1.882 -6.791 -3.061 1.00 0.12 C ATOM 1226 CG GLN A 285 1.190 -8.150 -3.074 1.00 0.15 C ATOM 1227 CD GLN A 285 -0.085 -8.190 -3.905 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.258 -7.223 -4.789 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.895 -9.106 -3.773 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.401 -5.808 -3.382 1.00 0.13 H new ATOM 0 HA GLN A 285 1.335 -6.141 -1.090 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.874 -6.384 -4.072 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.926 -6.932 -2.783 1.00 0.12 H new ATOM 0 HG2 GLN A 285 1.885 -8.896 -3.459 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.952 -8.434 -2.049 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.730 -9.837 -3.081 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.731 -9.135 -4.356 1.00 0.18 H new ATOM 1238 N CYS A 286 3.226 -4.390 -1.722 1.00 0.14 N ATOM 1239 CA CYS A 286 4.015 -3.160 -1.765 1.00 0.19 C ATOM 1240 C CYS A 286 5.318 -3.377 -2.478 1.00 0.19 C ATOM 1241 O CYS A 286 5.840 -4.483 -2.460 1.00 0.20 O ATOM 1242 CB CYS A 286 4.287 -2.665 -0.379 1.00 0.28 C ATOM 1243 SG CYS A 286 5.227 -3.800 0.665 1.00 1.00 S ATOM 0 H CYS A 286 3.702 -5.186 -1.298 1.00 0.14 H new ATOM 0 HA CYS A 286 3.435 -2.416 -2.311 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.830 -1.722 -0.446 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.335 -2.451 0.108 1.00 0.28 H new ATOM 0 HG CYS A 286 6.406 -3.302 0.895 1.00 1.00 H new ATOM 1249 N VAL A 287 5.705 -2.418 -3.312 1.00 0.20 N ATOM 1250 CA VAL A 287 6.765 -2.685 -4.260 1.00 0.21 C ATOM 1251 C VAL A 287 7.687 -1.486 -4.516 1.00 0.22 C ATOM 1252 O VAL A 287 7.263 -0.341 -4.666 1.00 0.24 O ATOM 1253 CB VAL A 287 6.160 -3.238 -5.582 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.680 -3.547 -5.379 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.358 -2.294 -6.762 1.00 0.27 C ATOM 0 H VAL A 287 5.311 -1.478 -3.348 1.00 0.20 H new ATOM 0 HA VAL A 287 7.410 -3.441 -3.812 1.00 0.21 H new ATOM 0 HB VAL A 287 6.696 -4.154 -5.830 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.259 -3.934 -6.307 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.569 -4.292 -4.591 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.154 -2.636 -5.094 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.916 -2.732 -7.657 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.876 -1.340 -6.549 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.424 -2.134 -6.925 1.00 0.27 H new ATOM 1265 N VAL A 288 8.967 -1.778 -4.609 1.00 0.24 N ATOM 1266 CA VAL A 288 9.957 -0.774 -4.944 1.00 0.26 C ATOM 1267 C VAL A 288 10.923 -1.354 -5.961 1.00 0.33 C ATOM 1268 O VAL A 288 11.533 -2.399 -5.717 1.00 0.37 O ATOM 1269 CB VAL A 288 10.726 -0.285 -3.699 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.951 0.513 -4.102 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.828 0.561 -2.809 1.00 0.36 C ATOM 0 H VAL A 288 9.350 -2.711 -4.456 1.00 0.24 H new ATOM 0 HA VAL A 288 9.442 0.090 -5.364 1.00 0.26 H new ATOM 0 HB VAL A 288 11.048 -1.163 -3.140 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.478 0.848 -3.208 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.613 -0.114 -4.700 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.644 1.379 -4.688 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.390 0.895 -1.937 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.475 1.428 -3.367 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.974 -0.033 -2.484 1.00 0.36 H new ATOM 1281 N GLY A 289 10.956 -0.746 -7.139 1.00 0.43 N ATOM 1282 CA GLY A 289 11.751 -1.264 -8.242 1.00 0.57 C ATOM 1283 C GLY A 289 11.133 -2.504 -8.871 1.00 0.73 C ATOM 1284 O GLY A 289 10.763 -2.499 -10.047 1.00 1.51 O ATOM 0 H GLY A 289 10.441 0.107 -7.355 1.00 0.43 H new ATOM 0 HA2 GLY A 289 11.860 -0.490 -9.002 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.752 -1.502 -7.884 1.00 0.57 H new ATOM 1288 N GLY A 290 10.993 -3.553 -8.076 1.00 0.41 N ATOM 1289 CA GLY A 290 10.409 -4.794 -8.544 1.00 0.41 C ATOM 1290 C GLY A 290 10.331 -5.823 -7.439 1.00 0.37 C ATOM 1291 O GLY A 290 10.396 -7.027 -7.688 1.00 0.64 O ATOM 0 H GLY A 290 11.279 -3.566 -7.097 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.410 -4.602 -8.935 1.00 0.41 H new ATOM 0 HA3 GLY A 290 11.003 -5.189 -9.368 1.00 0.41 H new ATOM 1295 N GLU A 291 10.134 -5.344 -6.221 1.00 0.27 N ATOM 1296 CA GLU A 291 9.993 -6.206 -5.061 1.00 0.22 C ATOM 1297 C GLU A 291 8.635 -5.981 -4.424 1.00 0.16 C ATOM 1298 O GLU A 291 8.322 -4.858 -4.072 1.00 0.19 O ATOM 1299 CB GLU A 291 11.098 -5.888 -4.053 1.00 0.26 C ATOM 1300 CG GLU A 291 12.438 -6.507 -4.405 1.00 0.53 C ATOM 1301 CD GLU A 291 13.452 -6.329 -3.302 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.810 -5.173 -3.002 1.00 2.11 O ATOM 1303 OE2 GLU A 291 13.874 -7.341 -2.706 1.00 2.19 O ATOM 0 H GLU A 291 10.068 -4.348 -6.010 1.00 0.27 H new ATOM 0 HA GLU A 291 10.076 -7.248 -5.369 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.214 -4.806 -3.983 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.792 -6.240 -3.068 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.304 -7.570 -4.606 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.817 -6.054 -5.321 1.00 0.53 H new ATOM 1310 N LYS A 292 7.844 -7.036 -4.266 1.00 0.18 N ATOM 1311 CA LYS A 292 6.496 -6.902 -3.710 1.00 0.16 C ATOM 1312 C LYS A 292 6.315 -7.693 -2.416 1.00 0.17 C ATOM 1313 O LYS A 292 6.636 -8.877 -2.342 1.00 0.29 O ATOM 1314 CB LYS A 292 5.444 -7.302 -4.747 1.00 0.18 C ATOM 1315 CG LYS A 292 5.810 -8.515 -5.579 1.00 0.23 C ATOM 1316 CD LYS A 292 4.805 -8.717 -6.699 1.00 0.29 C ATOM 1317 CE LYS A 292 5.284 -9.751 -7.705 1.00 0.49 C ATOM 1318 NZ LYS A 292 4.306 -9.953 -8.805 1.00 1.33 N ATOM 0 H LYS A 292 8.108 -7.990 -4.512 1.00 0.18 H new ATOM 0 HA LYS A 292 6.358 -5.851 -3.456 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.503 -7.500 -4.234 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.271 -6.458 -5.415 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.808 -8.388 -5.997 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.840 -9.402 -4.946 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.850 -9.033 -6.279 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.631 -7.768 -7.207 1.00 0.29 H new ATOM 0 HE2 LYS A 292 6.239 -9.434 -8.123 1.00 0.49 H new ATOM 0 HE3 LYS A 292 5.458 -10.699 -7.196 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 4.672 -10.666 -9.468 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 3.401 -10.280 -8.410 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 4.159 -9.055 -9.308 1.00 1.33 H new ATOM 1332 N CYS A 293 5.687 -7.046 -1.442 1.00 0.16 N ATOM 1333 CA CYS A 293 5.321 -7.690 -0.187 1.00 0.18 C ATOM 1334 C CYS A 293 3.815 -7.676 -0.088 1.00 0.15 C ATOM 1335 O CYS A 293 3.201 -6.624 -0.249 1.00 0.14 O ATOM 1336 CB CYS A 293 5.908 -6.958 1.026 1.00 0.28 C ATOM 1337 SG CYS A 293 5.712 -7.851 2.586 1.00 1.55 S ATOM 0 H CYS A 293 5.418 -6.064 -1.499 1.00 0.16 H new ATOM 0 HA CYS A 293 5.719 -8.705 -0.182 1.00 0.18 H new ATOM 0 HB2 CYS A 293 6.969 -6.779 0.852 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.431 -5.982 1.115 1.00 0.28 H new ATOM 0 HG CYS A 293 6.239 -7.158 3.552 1.00 1.55 H new ATOM 1343 N SER A 294 3.219 -8.842 0.038 1.00 0.17 N ATOM 1344 CA SER A 294 1.777 -8.952 -0.026 1.00 0.18 C ATOM 1345 C SER A 294 1.109 -8.606 1.296 1.00 0.17 C ATOM 1346 O SER A 294 1.546 -9.023 2.370 1.00 0.20 O ATOM 1347 CB SER A 294 1.386 -10.359 -0.478 1.00 0.27 C ATOM 1348 OG SER A 294 2.106 -11.346 0.244 1.00 0.61 O ATOM 0 H SER A 294 3.708 -9.725 0.185 1.00 0.17 H new ATOM 0 HA SER A 294 1.422 -8.224 -0.755 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.316 -10.507 -0.333 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.582 -10.469 -1.545 1.00 0.27 H new ATOM 0 HG SER A 294 1.837 -12.237 -0.062 1.00 0.61 H new ATOM 1354 N THR A 295 0.015 -7.874 1.192 1.00 0.17 N ATOM 1355 CA THR A 295 -0.787 -7.531 2.337 1.00 0.15 C ATOM 1356 C THR A 295 -2.253 -7.635 1.955 1.00 0.15 C ATOM 1357 O THR A 295 -2.645 -7.232 0.856 1.00 0.15 O ATOM 1358 CB THR A 295 -0.456 -6.113 2.861 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.417 -6.132 4.288 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.469 -5.068 2.409 1.00 0.20 C ATOM 0 H THR A 295 -0.337 -7.504 0.309 1.00 0.17 H new ATOM 0 HA THR A 295 -0.565 -8.227 3.146 1.00 0.15 H new ATOM 0 HB THR A 295 0.513 -5.835 2.446 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.592 -5.231 4.632 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.187 -4.093 2.806 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.487 -5.026 1.320 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.459 -5.337 2.778 1.00 0.20 H new ATOM 1368 N GLU A 296 -3.036 -8.284 2.793 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.435 -8.482 2.484 1.00 0.15 C ATOM 1370 C GLU A 296 -5.206 -7.209 2.779 1.00 0.14 C ATOM 1371 O GLU A 296 -4.956 -6.530 3.776 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.996 -9.666 3.260 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.109 -10.891 3.163 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.713 -12.114 3.820 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.833 -12.511 3.434 1.00 0.96 O ATOM 1376 OE2 GLU A 296 -4.077 -12.683 4.734 1.00 0.76 O ATOM 0 H GLU A 296 -2.731 -8.679 3.683 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.540 -8.711 1.424 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.114 -9.388 4.307 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.989 -9.908 2.881 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.914 -11.109 2.113 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.147 -10.674 3.628 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.060 -6.836 1.854 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.818 -5.618 1.975 1.00 0.15 C ATOM 1385 C LEU A 297 -8.243 -5.924 2.393 1.00 0.15 C ATOM 1386 O LEU A 297 -9.054 -6.376 1.584 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.797 -4.848 0.655 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.506 -3.500 0.698 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -7.000 -2.697 1.884 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.277 -2.739 -0.596 1.00 0.29 C ATOM 0 H LEU A 297 -6.246 -7.366 1.003 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.361 -4.995 2.744 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.760 -4.690 0.358 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.259 -5.463 -0.117 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.578 -3.664 0.810 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.508 -1.733 1.914 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.202 -3.242 2.806 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.926 -2.539 1.785 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.790 -1.778 -0.549 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.209 -2.573 -0.737 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.667 -3.318 -1.433 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.528 -5.621 3.647 1.00 0.14 N ATOM 1403 CA PHE A 298 -9.852 -5.776 4.227 1.00 0.19 C ATOM 1404 C PHE A 298 -10.507 -4.414 4.356 1.00 0.19 C ATOM 1405 O PHE A 298 -9.820 -3.403 4.441 1.00 0.24 O ATOM 1406 CB PHE A 298 -9.778 -6.446 5.604 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.469 -7.918 5.560 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.232 -8.376 5.137 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.426 -8.845 5.941 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.956 -9.729 5.096 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.155 -10.197 5.902 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.919 -10.640 5.479 1.00 0.45 C ATOM 0 H PHE A 298 -7.837 -5.255 4.301 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.444 -6.414 3.571 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.015 -5.944 6.199 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -10.729 -6.301 6.117 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.475 -7.667 4.836 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.396 -8.505 6.273 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.988 -10.073 4.765 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.910 -10.908 6.202 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.705 -11.698 5.448 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.819 -4.361 4.276 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.506 -3.088 4.349 1.00 0.28 C ATOM 1424 C VAL A 299 -13.548 -3.062 5.465 1.00 0.32 C ATOM 1425 O VAL A 299 -14.384 -3.959 5.580 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.166 -2.714 3.007 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.024 -3.848 2.479 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.982 -1.441 3.156 1.00 0.35 C ATOM 0 H VAL A 299 -12.426 -5.173 4.162 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.742 -2.345 4.577 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.375 -2.535 2.279 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.475 -3.552 1.532 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.405 -4.732 2.326 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.810 -4.076 3.199 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.442 -1.190 2.200 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.760 -1.593 3.904 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.330 -0.626 3.471 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.552 -1.968 6.208 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.561 -1.714 7.214 1.00 0.41 C ATOM 1440 C LYS A 300 -15.613 -0.770 6.652 1.00 0.40 C ATOM 1441 O LYS A 300 -15.278 0.306 6.149 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.923 -1.079 8.452 1.00 0.48 C ATOM 1443 CG LYS A 300 -13.077 -2.032 9.278 1.00 1.17 C ATOM 1444 CD LYS A 300 -12.411 -1.305 10.436 1.00 1.72 C ATOM 1445 CE LYS A 300 -11.593 -2.250 11.299 1.00 2.32 C ATOM 1446 NZ LYS A 300 -10.878 -1.527 12.383 1.00 3.03 N ATOM 0 H LYS A 300 -12.852 -1.231 6.128 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.025 -2.659 7.495 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.302 -0.241 8.137 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.712 -0.671 9.084 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -13.701 -2.839 9.661 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -12.316 -2.490 8.646 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -11.766 -0.517 10.048 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -13.172 -0.821 11.048 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -12.249 -3.003 11.735 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -10.871 -2.778 10.676 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -10.331 -2.205 12.950 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -10.234 -0.825 11.966 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -11.569 -1.044 12.992 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.878 -1.145 6.784 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.969 -0.280 6.360 1.00 0.57 C ATOM 1462 C GLU A 301 -18.013 0.971 7.235 1.00 0.65 C ATOM 1463 O GLU A 301 -18.561 2.000 6.789 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.315 -1.009 6.441 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.545 -2.005 5.319 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.920 -2.640 5.366 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.189 -3.400 6.317 1.00 1.21 O ATOM 1468 OE2 GLU A 301 -21.727 -2.404 4.445 1.00 1.44 O ATOM 1469 OXT GLU A 301 -17.498 0.913 8.376 1.00 1.20 O ATOM 0 H GLU A 301 -17.173 -2.038 7.179 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.791 0.004 5.323 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.377 -1.532 7.396 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.118 -0.272 6.429 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.416 -1.501 4.361 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.787 -2.787 5.373 1.00 0.66 H new