USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=29 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+ -167:sc= -1.49 (180deg=-3.01!) USER MOD Set 1.2: A 223 TYR OH : rot -141:sc= 0.306 USER MOD Set 1.3: A 295 THR OG1 : rot 40:sc= -2.29! USER MOD Set 2.1: A 276 CYS SG : rot 17:sc= -2.09! USER MOD Set 2.2: A 284 TYR OH : rot 123:sc= 0.647 USER MOD Set 3.1: A 259 LYS NZ :NH3+ -128:sc= 0.684 (180deg=0) USER MOD Set 3.2: A 260 TYR OH : rot 180:sc= 0.612 USER MOD Set 4.1: A 248 LYS NZ :NH3+ -123:sc= -0.12 (180deg=-0.116) USER MOD Set 4.2: A 249 ASN :FLIP amide:sc= -1.24! C(o=-3.6!,f=-1.4!) USER MOD Set 5.1: A 234 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 270 THR OG1 : rot 180:sc= 0 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.194 F(o=-2.4,f=-0.19) USER MOD Single : A 217 LYS NZ :NH3+ 131:sc= -0.0768 (180deg=-0.471) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.4) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.266 F(o=-1.9,f=0.27) USER MOD Single : A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 251 GLN : amide:sc= -0.988 K(o=-0.99,f=-2.3!) USER MOD Single : A 254 GLN : amide:sc= -0.312 K(o=-0.31,f=-4.5!) USER MOD Single : A 255 MET CE :methyl -136:sc= -0.624 (180deg=-3.28!) USER MOD Single : A 256 SER OG : rot 180:sc= -0.169 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= 0.00658 USER MOD Single : A 268 LYS NZ :NH3+ -121:sc= 1.16 (180deg=-2.21!) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 108:sc= 1.09 USER MOD Single : A 275 GLN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.4! C(o=-16!,f=-11!) USER MOD Single : A 286 CYS SG : rot 116:sc= -5.77! USER MOD Single : A 292 LYS NZ :NH3+ -163:sc= -0.0584 (180deg=-0.434) USER MOD Single : A 293 CYS SG : rot 180:sc= -0.14 USER MOD Single : A 294 SER OG : rot 180:sc=0.000149 USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 12.039 -2.946 -0.204 1.00 0.50 N ATOM 98 CA ALA A 214 12.719 -1.875 0.509 1.00 0.39 C ATOM 99 C ALA A 214 11.785 -1.162 1.478 1.00 0.25 C ATOM 100 O ALA A 214 12.014 -0.010 1.841 1.00 0.27 O ATOM 101 CB ALA A 214 13.284 -0.882 -0.473 1.00 0.48 C ATOM 0 HA ALA A 214 13.527 -2.323 1.088 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.791 -0.083 0.068 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.995 -1.384 -1.130 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.475 -0.459 -1.069 1.00 0.48 H new ATOM 107 N PHE A 215 10.825 -1.894 2.000 1.00 0.25 N ATOM 108 CA PHE A 215 9.990 -1.403 3.064 1.00 0.18 C ATOM 109 C PHE A 215 10.483 -2.038 4.339 1.00 0.21 C ATOM 110 O PHE A 215 10.268 -3.230 4.565 1.00 0.28 O ATOM 111 CB PHE A 215 8.510 -1.752 2.823 1.00 0.20 C ATOM 112 CG PHE A 215 7.976 -1.326 1.476 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.494 -1.864 0.307 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.953 -0.394 1.376 1.00 0.26 C ATOM 115 CE1 PHE A 215 8.008 -1.479 -0.923 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.467 -0.006 0.145 1.00 0.31 C ATOM 117 CZ PHE A 215 6.997 -0.546 -1.006 1.00 0.35 C ATOM 0 H PHE A 215 10.605 -2.843 1.697 1.00 0.25 H new ATOM 0 HA PHE A 215 10.049 -0.316 3.119 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.383 -2.830 2.926 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.908 -1.284 3.602 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.288 -2.594 0.362 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.532 0.033 2.274 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.420 -1.909 -1.824 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.671 0.721 0.083 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.621 -0.239 -1.971 1.00 0.35 H new ATOM 127 N GLN A 216 11.213 -1.248 5.114 1.00 0.18 N ATOM 128 CA GLN A 216 11.788 -1.680 6.379 1.00 0.21 C ATOM 129 C GLN A 216 10.773 -2.499 7.141 1.00 0.24 C ATOM 130 O GLN A 216 10.967 -3.686 7.411 1.00 0.31 O ATOM 131 CB GLN A 216 12.142 -0.448 7.203 1.00 0.20 C ATOM 132 CG GLN A 216 13.453 -0.571 7.962 1.00 0.25 C ATOM 133 CD GLN A 216 13.820 0.690 8.721 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.182 1.798 8.383 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.696 0.675 9.581 1.00 0.79 N flip ATOM 0 H GLN A 216 11.425 -0.278 4.879 1.00 0.18 H new ATOM 0 HA GLN A 216 12.678 -2.280 6.191 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.196 0.416 6.541 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.339 -0.255 7.914 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.384 -1.403 8.663 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.252 -0.811 7.260 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.166 -0.199 9.815 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.954 1.537 10.062 1.00 0.79 H new ATOM 144 N LYS A 217 9.615 -1.897 7.304 1.00 0.20 N ATOM 145 CA LYS A 217 8.480 -2.583 7.843 1.00 0.22 C ATOM 146 C LYS A 217 7.242 -2.260 7.015 1.00 0.17 C ATOM 147 O LYS A 217 6.771 -1.127 7.028 1.00 0.17 O ATOM 148 CB LYS A 217 8.286 -2.127 9.285 1.00 0.28 C ATOM 149 CG LYS A 217 7.122 -2.776 9.989 1.00 0.36 C ATOM 150 CD LYS A 217 6.920 -2.157 11.358 1.00 0.59 C ATOM 151 CE LYS A 217 5.941 -2.960 12.196 1.00 1.26 C ATOM 152 NZ LYS A 217 6.427 -4.345 12.444 1.00 1.85 N ATOM 0 H LYS A 217 9.442 -0.921 7.065 1.00 0.20 H new ATOM 0 HA LYS A 217 8.640 -3.661 7.815 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.197 -2.336 9.846 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.146 -1.046 9.296 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.217 -2.659 9.393 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.301 -3.847 10.090 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.878 -2.096 11.875 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.553 -1.137 11.246 1.00 0.59 H new ATOM 0 HE2 LYS A 217 5.780 -2.456 13.149 1.00 1.26 H new ATOM 0 HE3 LYS A 217 4.977 -2.999 11.689 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 6.348 -4.564 13.458 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 5.852 -5.018 11.898 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 7.422 -4.422 12.150 1.00 1.85 H new ATOM 166 N LYS A 218 6.599 -3.280 6.486 1.00 0.19 N ATOM 167 CA LYS A 218 5.283 -3.101 5.899 1.00 0.20 C ATOM 168 C LYS A 218 4.251 -3.335 6.987 1.00 0.18 C ATOM 169 O LYS A 218 4.437 -4.213 7.831 1.00 0.20 O ATOM 170 CB LYS A 218 5.036 -4.059 4.718 1.00 0.31 C ATOM 171 CG LYS A 218 3.704 -3.817 4.014 1.00 0.39 C ATOM 172 CD LYS A 218 3.445 -4.831 2.923 1.00 0.96 C ATOM 173 CE LYS A 218 2.384 -4.321 1.970 1.00 1.56 C ATOM 174 NZ LYS A 218 1.265 -3.673 2.691 1.00 2.42 N ATOM 0 H LYS A 218 6.960 -4.233 6.449 1.00 0.19 H new ATOM 0 HA LYS A 218 5.209 -2.089 5.500 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.846 -3.951 3.996 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.066 -5.087 5.080 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.896 -3.857 4.744 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.698 -2.815 3.586 1.00 0.39 H new ATOM 0 HD2 LYS A 218 4.367 -5.031 2.377 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.124 -5.775 3.364 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.830 -3.609 1.276 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.001 -5.150 1.374 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 0.466 -3.536 2.040 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 0.966 -4.277 3.483 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 1.576 -2.751 3.057 1.00 2.42 H new ATOM 188 N LEU A 219 3.189 -2.543 6.992 1.00 0.16 N ATOM 189 CA LEU A 219 2.130 -2.709 7.977 1.00 0.16 C ATOM 190 C LEU A 219 1.520 -4.108 7.863 1.00 0.16 C ATOM 191 O LEU A 219 1.820 -4.839 6.914 1.00 0.17 O ATOM 192 CB LEU A 219 1.058 -1.626 7.820 1.00 0.20 C ATOM 193 CG LEU A 219 1.168 -0.442 8.791 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.648 -0.827 10.163 1.00 1.20 C ATOM 195 CD2 LEU A 219 2.608 0.044 8.902 1.00 1.62 C ATOM 0 H LEU A 219 3.038 -1.783 6.329 1.00 0.16 H new ATOM 0 HA LEU A 219 2.562 -2.600 8.972 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.100 -1.243 6.801 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.079 -2.088 7.947 1.00 0.20 H new ATOM 0 HG LEU A 219 0.558 0.370 8.395 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.734 0.025 10.837 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.398 -1.124 10.086 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.233 -1.659 10.554 1.00 1.20 H new ATOM 0 HD21 LEU A 219 2.656 0.883 9.596 1.00 1.62 H new ATOM 0 HD22 LEU A 219 3.238 -0.766 9.268 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.961 0.364 7.921 1.00 1.62 H new ATOM 207 N GLU A 220 0.770 -4.515 8.882 1.00 0.17 N ATOM 208 CA GLU A 220 0.211 -5.868 8.951 1.00 0.20 C ATOM 209 C GLU A 220 -0.433 -6.280 7.631 1.00 0.19 C ATOM 210 O GLU A 220 -1.068 -5.463 6.968 1.00 0.19 O ATOM 211 CB GLU A 220 -0.840 -5.948 10.064 1.00 0.23 C ATOM 212 CG GLU A 220 -1.887 -4.845 9.988 1.00 0.24 C ATOM 213 CD GLU A 220 -1.497 -3.617 10.784 1.00 0.75 C ATOM 214 OE1 GLU A 220 -0.443 -3.649 11.458 1.00 1.43 O ATOM 215 OE2 GLU A 220 -2.237 -2.613 10.739 1.00 1.12 O ATOM 0 H GLU A 220 0.532 -3.925 9.679 1.00 0.17 H new ATOM 0 HA GLU A 220 1.035 -6.550 9.162 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.339 -6.916 10.014 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.339 -5.897 11.031 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -2.039 -4.565 8.946 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.839 -5.226 10.358 1.00 0.24 H new ATOM 222 N PRO A 221 -0.228 -7.543 7.209 1.00 0.22 N ATOM 223 CA PRO A 221 -0.747 -8.076 5.936 1.00 0.23 C ATOM 224 C PRO A 221 -2.270 -8.166 5.887 1.00 0.20 C ATOM 225 O PRO A 221 -2.815 -9.059 5.251 1.00 0.19 O ATOM 226 CB PRO A 221 -0.133 -9.480 5.850 1.00 0.29 C ATOM 227 CG PRO A 221 0.994 -9.474 6.821 1.00 0.57 C ATOM 228 CD PRO A 221 0.571 -8.549 7.923 1.00 0.26 C ATOM 0 HA PRO A 221 -0.484 -7.420 5.106 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -0.866 -10.246 6.102 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.218 -9.695 4.841 1.00 0.29 H new ATOM 0 HG2 PRO A 221 1.188 -10.476 7.203 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.915 -9.129 6.351 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.014 -9.066 8.684 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.427 -8.102 8.428 1.00 0.26 H new ATOM 236 N ALA A 222 -2.930 -7.145 6.405 1.00 0.20 N ATOM 237 CA ALA A 222 -4.372 -7.009 6.313 1.00 0.19 C ATOM 238 C ALA A 222 -4.766 -5.583 6.652 1.00 0.15 C ATOM 239 O ALA A 222 -5.123 -5.276 7.790 1.00 0.17 O ATOM 240 CB ALA A 222 -5.085 -7.993 7.225 1.00 0.24 C ATOM 0 H ALA A 222 -2.476 -6.381 6.905 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.677 -7.237 5.292 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.163 -7.862 7.130 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.817 -9.011 6.943 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.788 -7.813 8.258 1.00 0.24 H new ATOM 246 N TYR A 223 -4.672 -4.706 5.663 1.00 0.12 N ATOM 247 CA TYR A 223 -5.012 -3.302 5.852 1.00 0.11 C ATOM 248 C TYR A 223 -6.525 -3.155 5.846 1.00 0.13 C ATOM 249 O TYR A 223 -7.199 -3.832 5.076 1.00 0.17 O ATOM 250 CB TYR A 223 -4.417 -2.433 4.733 1.00 0.12 C ATOM 251 CG TYR A 223 -2.906 -2.271 4.748 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.066 -3.286 5.183 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.320 -1.098 4.292 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.690 -3.132 5.169 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.944 -0.945 4.273 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.140 -1.959 4.710 1.00 0.16 C ATOM 257 OH TYR A 223 1.229 -1.800 4.676 1.00 0.21 O ATOM 0 H TYR A 223 -4.363 -4.942 4.720 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.598 -2.969 6.804 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.707 -2.862 3.774 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.869 -1.443 4.789 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.493 -4.212 5.539 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.948 -0.291 3.946 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.052 -3.930 5.517 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.507 -0.025 3.913 1.00 0.20 H new ATOM 0 HH TYR A 223 1.459 -0.884 4.939 1.00 0.21 H new ATOM 267 N GLN A 224 -7.063 -2.349 6.752 1.00 0.15 N ATOM 268 CA GLN A 224 -8.509 -2.198 6.864 1.00 0.18 C ATOM 269 C GLN A 224 -8.972 -0.835 6.349 1.00 0.17 C ATOM 270 O GLN A 224 -8.793 0.184 7.022 1.00 0.22 O ATOM 271 CB GLN A 224 -8.952 -2.383 8.318 1.00 0.26 C ATOM 272 CG GLN A 224 -8.545 -3.719 8.921 1.00 0.34 C ATOM 273 CD GLN A 224 -9.004 -3.866 10.359 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.708 -3.025 11.209 1.00 1.42 O ATOM 275 NE2 GLN A 224 -9.726 -4.938 10.645 1.00 0.99 N ATOM 0 H GLN A 224 -6.525 -1.793 7.416 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.970 -2.968 6.245 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.530 -1.579 8.921 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.036 -2.286 8.372 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -8.965 -4.528 8.323 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.461 -3.820 8.876 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -9.950 -5.612 9.913 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.058 -5.090 11.597 1.00 0.99 H new ATOM 284 N VAL A 225 -9.574 -0.821 5.158 1.00 0.16 N ATOM 285 CA VAL A 225 -10.099 0.408 4.576 1.00 0.18 C ATOM 286 C VAL A 225 -11.226 0.952 5.420 1.00 0.24 C ATOM 287 O VAL A 225 -12.238 0.289 5.567 1.00 0.30 O ATOM 288 CB VAL A 225 -10.699 0.194 3.167 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.907 1.531 2.462 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.858 -0.745 2.327 1.00 0.77 C ATOM 0 H VAL A 225 -9.708 -1.650 4.580 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.250 1.089 4.524 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.671 -0.282 3.294 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.330 1.359 1.472 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.590 2.148 3.046 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.950 2.043 2.363 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.317 -0.866 1.346 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.857 -0.331 2.210 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.794 -1.715 2.820 1.00 0.77 H new ATOM 300 N SER A 226 -11.211 2.238 5.663 1.00 0.26 N ATOM 301 CA SER A 226 -12.430 2.877 6.089 1.00 0.33 C ATOM 302 C SER A 226 -13.219 3.179 4.827 1.00 0.32 C ATOM 303 O SER A 226 -12.723 3.903 3.963 1.00 0.32 O ATOM 304 CB SER A 226 -12.128 4.141 6.872 1.00 0.42 C ATOM 305 OG SER A 226 -11.227 3.875 7.935 1.00 1.20 O ATOM 0 H SER A 226 -10.397 2.847 5.577 1.00 0.26 H new ATOM 0 HA SER A 226 -13.004 2.234 6.756 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.701 4.892 6.207 1.00 0.42 H new ATOM 0 HB3 SER A 226 -13.054 4.557 7.270 1.00 0.42 H new ATOM 0 HG SER A 226 -11.045 4.704 8.425 1.00 1.20 H new ATOM 311 N LYS A 227 -14.197 2.330 4.560 1.00 0.34 N ATOM 312 CA LYS A 227 -14.802 2.254 3.238 1.00 0.37 C ATOM 313 C LYS A 227 -15.194 3.623 2.700 1.00 0.42 C ATOM 314 O LYS A 227 -15.905 4.396 3.349 1.00 0.48 O ATOM 315 CB LYS A 227 -16.012 1.311 3.232 1.00 0.44 C ATOM 316 CG LYS A 227 -17.295 1.902 3.782 1.00 0.95 C ATOM 317 CD LYS A 227 -18.511 1.184 3.221 1.00 0.93 C ATOM 318 CE LYS A 227 -19.756 1.484 4.031 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.985 0.970 3.373 1.00 1.54 N ATOM 0 H LYS A 227 -14.591 1.682 5.242 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.040 1.847 2.573 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.192 0.983 2.208 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.763 0.422 3.812 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.296 1.830 4.870 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.347 2.962 3.533 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.668 1.486 2.186 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.330 0.109 3.215 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -19.661 1.038 5.021 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.845 2.561 4.174 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -21.813 1.196 3.960 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -21.091 1.415 2.439 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.913 -0.061 3.259 1.00 1.54 H new ATOM 333 N GLY A 228 -14.660 3.928 1.526 1.00 0.46 N ATOM 334 CA GLY A 228 -14.943 5.194 0.875 1.00 0.57 C ATOM 335 C GLY A 228 -14.210 6.360 1.507 1.00 0.57 C ATOM 336 O GLY A 228 -14.252 7.477 0.994 1.00 0.70 O ATOM 0 H GLY A 228 -14.030 3.316 1.008 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.667 5.125 -0.177 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -16.016 5.383 0.911 1.00 0.57 H new ATOM 340 N HIS A 229 -13.497 6.091 2.589 1.00 0.47 N ATOM 341 CA HIS A 229 -12.714 7.117 3.267 1.00 0.53 C ATOM 342 C HIS A 229 -11.283 7.082 2.755 1.00 0.54 C ATOM 343 O HIS A 229 -10.421 7.802 3.249 1.00 1.02 O ATOM 344 CB HIS A 229 -12.749 6.906 4.787 1.00 0.55 C ATOM 345 CG HIS A 229 -12.039 7.975 5.571 1.00 1.32 C ATOM 346 ND1 HIS A 229 -12.319 9.320 5.439 1.00 1.94 N ATOM 347 CD2 HIS A 229 -11.039 7.892 6.482 1.00 2.31 C ATOM 348 CE1 HIS A 229 -11.524 10.014 6.232 1.00 2.66 C ATOM 349 NE2 HIS A 229 -10.739 9.173 6.874 1.00 2.89 N ATOM 0 H HIS A 229 -13.443 5.168 3.019 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.146 8.095 3.054 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.788 6.861 5.113 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -12.300 5.941 5.020 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -10.566 6.987 6.834 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -11.518 11.089 6.337 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -10.023 9.432 7.553 1.00 2.89 H new ATOM 358 N LYS A 230 -11.063 6.208 1.772 1.00 0.30 N ATOM 359 CA LYS A 230 -9.760 5.993 1.130 1.00 0.28 C ATOM 360 C LYS A 230 -8.732 5.436 2.125 1.00 0.24 C ATOM 361 O LYS A 230 -8.401 6.063 3.134 1.00 0.28 O ATOM 362 CB LYS A 230 -9.255 7.280 0.422 1.00 0.36 C ATOM 363 CG LYS A 230 -8.476 8.252 1.300 1.00 1.00 C ATOM 364 CD LYS A 230 -8.331 9.619 0.656 1.00 1.23 C ATOM 365 CE LYS A 230 -7.686 10.603 1.620 1.00 1.65 C ATOM 366 NZ LYS A 230 -7.579 11.968 1.044 1.00 2.24 N ATOM 0 H LYS A 230 -11.800 5.616 1.390 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.892 5.239 0.354 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.622 6.988 -0.416 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -10.114 7.804 0.004 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -8.982 8.357 2.260 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -7.487 7.842 1.504 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -7.727 9.538 -0.247 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -9.310 9.989 0.352 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -8.270 10.644 2.539 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -6.692 10.246 1.890 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -7.134 12.603 1.737 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -7.000 11.936 0.181 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -8.529 12.322 0.811 1.00 2.24 H new ATOM 380 N ILE A 231 -8.302 4.202 1.894 1.00 0.20 N ATOM 381 CA ILE A 231 -7.373 3.556 2.819 1.00 0.17 C ATOM 382 C ILE A 231 -5.926 3.857 2.451 1.00 0.16 C ATOM 383 O ILE A 231 -5.534 3.800 1.289 1.00 0.17 O ATOM 384 CB ILE A 231 -7.571 2.025 2.904 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.512 1.417 3.829 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.481 1.392 1.529 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.672 -0.061 4.069 1.00 0.19 C ATOM 0 H ILE A 231 -8.574 3.635 1.091 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.596 3.976 3.800 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.564 1.826 3.308 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.526 1.599 3.402 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.544 1.934 4.788 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.623 0.315 1.614 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.254 1.810 0.885 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.501 1.595 1.098 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.882 -0.409 4.734 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.642 -0.252 4.527 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.608 -0.593 3.120 1.00 0.19 H new ATOM 399 N ARG A 232 -5.146 4.207 3.455 1.00 0.17 N ATOM 400 CA ARG A 232 -3.749 4.542 3.269 1.00 0.17 C ATOM 401 C ARG A 232 -2.872 3.328 3.589 1.00 0.15 C ATOM 402 O ARG A 232 -3.123 2.630 4.569 1.00 0.19 O ATOM 403 CB ARG A 232 -3.402 5.713 4.186 1.00 0.22 C ATOM 404 CG ARG A 232 -4.421 6.839 4.143 1.00 0.34 C ATOM 405 CD ARG A 232 -3.997 8.014 5.006 1.00 0.77 C ATOM 406 NE ARG A 232 -5.074 8.989 5.154 1.00 1.44 N ATOM 407 CZ ARG A 232 -4.935 10.179 5.733 1.00 2.13 C ATOM 408 NH1 ARG A 232 -3.758 10.547 6.230 1.00 2.48 N ATOM 409 NH2 ARG A 232 -5.981 10.985 5.835 1.00 3.14 N ATOM 0 H ARG A 232 -5.464 4.267 4.422 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.567 4.826 2.233 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.317 5.349 5.210 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.425 6.107 3.905 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -4.552 7.172 3.113 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.388 6.468 4.483 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -3.694 7.653 5.989 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -3.127 8.497 4.562 1.00 0.77 H new ATOM 0 HE ARG A 232 -5.994 8.741 4.789 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -2.959 9.917 6.168 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -3.654 11.460 6.673 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -6.888 10.692 5.471 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -5.880 11.898 6.278 1.00 3.14 H new ATOM 423 N LEU A 233 -1.866 3.048 2.757 1.00 0.13 N ATOM 424 CA LEU A 233 -1.008 1.905 2.987 1.00 0.14 C ATOM 425 C LEU A 233 0.287 2.361 3.619 1.00 0.13 C ATOM 426 O LEU A 233 1.188 2.825 2.926 1.00 0.13 O ATOM 427 CB LEU A 233 -0.737 1.151 1.678 1.00 0.15 C ATOM 428 CG LEU A 233 -1.811 0.128 1.272 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.147 0.806 0.993 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.363 -0.668 0.059 1.00 0.23 C ATOM 0 H LEU A 233 -1.635 3.596 1.929 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.512 1.218 3.667 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.631 1.879 0.874 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.218 0.634 1.768 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.947 -0.556 2.110 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.884 0.055 0.709 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.486 1.325 1.889 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.028 1.523 0.181 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.137 -1.386 -0.211 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.189 0.010 -0.777 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.441 -1.200 0.293 1.00 0.23 H new ATOM 442 N THR A 234 0.327 2.316 4.939 1.00 0.14 N ATOM 443 CA THR A 234 1.472 2.796 5.688 1.00 0.16 C ATOM 444 C THR A 234 2.566 1.738 5.753 1.00 0.16 C ATOM 445 O THR A 234 2.281 0.544 5.887 1.00 0.22 O ATOM 446 CB THR A 234 1.071 3.202 7.121 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.082 4.057 7.081 1.00 0.33 O ATOM 448 CG2 THR A 234 2.216 3.920 7.824 1.00 0.24 C ATOM 0 H THR A 234 -0.428 1.948 5.517 1.00 0.14 H new ATOM 0 HA THR A 234 1.853 3.673 5.165 1.00 0.16 H new ATOM 0 HB THR A 234 0.836 2.296 7.680 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.333 4.310 7.994 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.908 4.196 8.833 1.00 0.24 H new ATOM 0 HG22 THR A 234 3.082 3.260 7.877 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.479 4.819 7.266 1.00 0.24 H new ATOM 456 N VAL A 235 3.807 2.186 5.626 1.00 0.14 N ATOM 457 CA VAL A 235 4.978 1.322 5.700 1.00 0.14 C ATOM 458 C VAL A 235 6.155 2.117 6.243 1.00 0.14 C ATOM 459 O VAL A 235 6.334 3.273 5.882 1.00 0.16 O ATOM 460 CB VAL A 235 5.374 0.753 4.316 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.289 -0.143 3.762 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.647 1.878 3.344 1.00 0.14 C ATOM 0 H VAL A 235 4.032 3.168 5.467 1.00 0.14 H new ATOM 0 HA VAL A 235 4.726 0.488 6.355 1.00 0.14 H new ATOM 0 HB VAL A 235 6.279 0.160 4.448 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.596 -0.527 2.789 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.121 -0.976 4.445 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.367 0.428 3.652 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.924 1.463 2.375 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.751 2.489 3.234 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.463 2.495 3.721 1.00 0.14 H new ATOM 472 N GLU A 236 7.043 1.467 6.965 1.00 0.13 N ATOM 473 CA GLU A 236 8.285 2.100 7.331 1.00 0.13 C ATOM 474 C GLU A 236 9.287 1.743 6.262 1.00 0.13 C ATOM 475 O GLU A 236 9.561 0.574 6.055 1.00 0.17 O ATOM 476 CB GLU A 236 8.784 1.617 8.695 1.00 0.18 C ATOM 477 CG GLU A 236 9.947 2.441 9.232 1.00 0.29 C ATOM 478 CD GLU A 236 10.319 2.083 10.655 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.450 2.161 11.546 1.00 1.05 O ATOM 480 OE2 GLU A 236 11.484 1.706 10.885 1.00 1.18 O ATOM 0 H GLU A 236 6.928 0.512 7.305 1.00 0.13 H new ATOM 0 HA GLU A 236 8.145 3.178 7.409 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.961 1.652 9.409 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.092 0.575 8.614 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.815 2.297 8.588 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.688 3.499 9.185 1.00 0.29 H new ATOM 487 N LEU A 237 9.669 2.707 5.454 1.00 0.13 N ATOM 488 CA LEU A 237 10.526 2.425 4.318 1.00 0.15 C ATOM 489 C LEU A 237 11.953 2.175 4.757 1.00 0.17 C ATOM 490 O LEU A 237 12.429 2.782 5.705 1.00 0.19 O ATOM 491 CB LEU A 237 10.504 3.574 3.316 1.00 0.17 C ATOM 492 CG LEU A 237 9.551 3.398 2.139 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.564 4.637 1.263 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.936 2.177 1.324 1.00 0.55 C ATOM 0 H LEU A 237 9.404 3.686 5.559 1.00 0.13 H new ATOM 0 HA LEU A 237 10.138 1.525 3.840 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.237 4.489 3.844 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.513 3.714 2.927 1.00 0.17 H new ATOM 0 HG LEU A 237 8.543 3.253 2.528 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.879 4.498 0.426 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.250 5.501 1.849 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.572 4.803 0.883 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.246 2.065 0.488 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.950 2.298 0.944 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.889 1.289 1.954 1.00 0.55 H new ATOM 506 N ALA A 238 12.653 1.368 3.983 1.00 0.19 N ATOM 507 CA ALA A 238 14.086 1.205 4.143 1.00 0.21 C ATOM 508 C ALA A 238 14.777 2.244 3.274 1.00 0.23 C ATOM 509 O ALA A 238 15.818 2.793 3.630 1.00 0.28 O ATOM 510 CB ALA A 238 14.512 -0.198 3.749 1.00 0.25 C ATOM 0 H ALA A 238 12.249 0.810 3.231 1.00 0.19 H new ATOM 0 HA ALA A 238 14.366 1.347 5.187 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.590 -0.300 3.876 1.00 0.25 H new ATOM 0 HB2 ALA A 238 14.002 -0.924 4.382 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.251 -0.378 2.706 1.00 0.25 H new ATOM 516 N ASP A 239 14.116 2.561 2.164 1.00 0.22 N ATOM 517 CA ASP A 239 14.583 3.590 1.237 1.00 0.25 C ATOM 518 C ASP A 239 14.494 4.972 1.855 1.00 0.25 C ATOM 519 O ASP A 239 15.378 5.800 1.661 1.00 0.34 O ATOM 520 CB ASP A 239 13.761 3.580 -0.047 1.00 0.31 C ATOM 521 CG ASP A 239 14.436 2.790 -1.155 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.602 3.103 -1.486 1.00 1.28 O ATOM 523 OD2 ASP A 239 13.805 1.881 -1.719 1.00 1.19 O ATOM 0 H ASP A 239 13.244 2.114 1.882 1.00 0.22 H new ATOM 0 HA ASP A 239 15.625 3.362 1.010 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.779 3.152 0.156 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.599 4.605 -0.381 1.00 0.31 H new ATOM 528 N HIS A 240 13.372 5.226 2.529 1.00 0.27 N ATOM 529 CA HIS A 240 13.088 6.518 3.168 1.00 0.39 C ATOM 530 C HIS A 240 12.708 7.587 2.144 1.00 0.47 C ATOM 531 O HIS A 240 11.725 8.301 2.326 1.00 0.70 O ATOM 532 CB HIS A 240 14.276 7.017 4.009 1.00 0.46 C ATOM 533 CG HIS A 240 14.708 6.079 5.094 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.284 4.836 5.412 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.709 6.377 5.989 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 15.031 4.404 6.480 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.881 5.358 6.807 1.00 0.48 N flip ATOM 0 H HIS A 240 12.628 4.539 2.650 1.00 0.27 H new ATOM 0 HA HIS A 240 12.239 6.347 3.830 1.00 0.39 H new ATOM 0 HB2 HIS A 240 15.122 7.200 3.347 1.00 0.46 H new ATOM 0 HB3 HIS A 240 14.010 7.974 4.458 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.544 4.314 4.944 1.00 0.56 H new ATOM 0 HD2 HIS A 240 16.267 7.301 6.017 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.938 3.446 6.969 1.00 0.57 H new ATOM 546 N ASP A 241 13.502 7.718 1.092 1.00 0.41 N ATOM 547 CA ASP A 241 13.278 8.752 0.090 1.00 0.51 C ATOM 548 C ASP A 241 13.139 8.143 -1.296 1.00 0.44 C ATOM 549 O ASP A 241 13.836 8.507 -2.242 1.00 0.78 O ATOM 550 CB ASP A 241 14.416 9.776 0.126 1.00 0.80 C ATOM 551 CG ASP A 241 14.226 10.917 -0.854 1.00 1.53 C ATOM 552 OD1 ASP A 241 13.125 11.510 -0.875 1.00 2.22 O ATOM 553 OD2 ASP A 241 15.163 11.214 -1.622 1.00 2.08 O ATOM 0 H ASP A 241 14.308 7.121 0.909 1.00 0.41 H new ATOM 0 HA ASP A 241 12.344 9.264 0.323 1.00 0.51 H new ATOM 0 HB2 ASP A 241 14.499 10.182 1.134 1.00 0.80 H new ATOM 0 HB3 ASP A 241 15.357 9.271 -0.093 1.00 0.80 H new ATOM 558 N ALA A 242 12.215 7.220 -1.412 1.00 0.33 N ATOM 559 CA ALA A 242 11.948 6.580 -2.682 1.00 0.30 C ATOM 560 C ALA A 242 10.459 6.448 -2.904 1.00 0.24 C ATOM 561 O ALA A 242 9.707 6.169 -1.967 1.00 0.28 O ATOM 562 CB ALA A 242 12.608 5.219 -2.734 1.00 0.38 C ATOM 0 H ALA A 242 11.633 6.893 -0.641 1.00 0.33 H new ATOM 0 HA ALA A 242 12.364 7.200 -3.476 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.398 4.749 -3.695 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.685 5.332 -2.613 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.216 4.594 -1.932 1.00 0.38 H new ATOM 568 N GLU A 243 10.039 6.616 -4.146 1.00 0.26 N ATOM 569 CA GLU A 243 8.646 6.432 -4.493 1.00 0.30 C ATOM 570 C GLU A 243 8.312 4.961 -4.400 1.00 0.25 C ATOM 571 O GLU A 243 8.948 4.128 -5.050 1.00 0.25 O ATOM 572 CB GLU A 243 8.356 6.937 -5.905 1.00 0.39 C ATOM 573 CG GLU A 243 8.848 8.353 -6.150 1.00 0.67 C ATOM 574 CD GLU A 243 8.645 8.802 -7.576 1.00 1.10 C ATOM 575 OE1 GLU A 243 7.483 8.830 -8.033 1.00 1.56 O ATOM 576 OE2 GLU A 243 9.640 9.126 -8.250 1.00 1.64 O ATOM 0 H GLU A 243 10.642 6.878 -4.926 1.00 0.26 H new ATOM 0 HA GLU A 243 8.032 7.006 -3.799 1.00 0.30 H new ATOM 0 HB2 GLU A 243 8.824 6.267 -6.626 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.282 6.897 -6.084 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.325 9.036 -5.481 1.00 0.67 H new ATOM 0 HG3 GLU A 243 9.908 8.413 -5.902 1.00 0.67 H new ATOM 583 N VAL A 244 7.323 4.647 -3.600 1.00 0.24 N ATOM 584 CA VAL A 244 6.909 3.274 -3.437 1.00 0.21 C ATOM 585 C VAL A 244 5.799 2.963 -4.408 1.00 0.20 C ATOM 586 O VAL A 244 4.744 3.595 -4.397 1.00 0.23 O ATOM 587 CB VAL A 244 6.436 2.982 -1.996 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.612 3.021 -1.045 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.368 3.976 -1.559 1.00 0.27 C ATOM 0 H VAL A 244 6.790 5.322 -3.052 1.00 0.24 H new ATOM 0 HA VAL A 244 7.772 2.639 -3.638 1.00 0.21 H new ATOM 0 HB VAL A 244 5.996 1.985 -1.976 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.268 2.814 -0.032 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.344 2.269 -1.340 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.073 4.008 -1.077 1.00 0.24 H new ATOM 0 HG21 VAL A 244 5.053 3.747 -0.541 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.775 4.987 -1.595 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.511 3.907 -2.228 1.00 0.27 H new ATOM 599 N LYS A 245 6.029 1.961 -5.214 1.00 0.18 N ATOM 600 CA LYS A 245 5.017 1.482 -6.111 1.00 0.19 C ATOM 601 C LYS A 245 4.280 0.372 -5.383 1.00 0.15 C ATOM 602 O LYS A 245 4.787 -0.168 -4.403 1.00 0.16 O ATOM 603 CB LYS A 245 5.661 0.995 -7.412 1.00 0.30 C ATOM 604 CG LYS A 245 6.588 2.019 -8.055 1.00 0.89 C ATOM 605 CD LYS A 245 7.377 1.412 -9.205 1.00 1.51 C ATOM 606 CE LYS A 245 6.529 1.250 -10.458 1.00 2.00 C ATOM 607 NZ LYS A 245 6.393 2.528 -11.203 1.00 2.79 N ATOM 0 H LYS A 245 6.915 1.459 -5.266 1.00 0.18 H new ATOM 0 HA LYS A 245 4.314 2.267 -6.391 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.224 0.084 -7.210 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.875 0.733 -8.121 1.00 0.30 H new ATOM 0 HG2 LYS A 245 6.002 2.863 -8.420 1.00 0.89 H new ATOM 0 HG3 LYS A 245 7.277 2.409 -7.306 1.00 0.89 H new ATOM 0 HD2 LYS A 245 8.236 2.045 -9.428 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.767 0.440 -8.903 1.00 1.51 H new ATOM 0 HE2 LYS A 245 6.979 0.498 -11.106 1.00 2.00 H new ATOM 0 HE3 LYS A 245 5.540 0.883 -10.182 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 5.809 2.376 -12.050 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 5.941 3.239 -10.593 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 7.334 2.865 -11.488 1.00 2.79 H new ATOM 621 N TRP A 246 3.032 0.155 -5.684 1.00 0.14 N ATOM 622 CA TRP A 246 2.290 -0.807 -4.899 1.00 0.13 C ATOM 623 C TRP A 246 1.646 -1.804 -5.817 1.00 0.14 C ATOM 624 O TRP A 246 1.809 -1.727 -7.027 1.00 0.14 O ATOM 625 CB TRP A 246 1.279 -0.136 -3.950 1.00 0.14 C ATOM 626 CG TRP A 246 1.933 0.817 -2.981 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.458 2.035 -3.289 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.168 0.635 -1.567 1.00 0.11 C ATOM 629 NE1 TRP A 246 2.989 2.618 -2.174 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.834 1.788 -1.114 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.888 -0.368 -0.635 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.226 1.967 0.206 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.285 -0.177 0.685 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.945 0.983 1.082 1.00 0.15 C ATOM 0 H TRP A 246 2.516 0.609 -6.438 1.00 0.14 H new ATOM 0 HA TRP A 246 2.984 -1.336 -4.246 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.537 0.404 -4.539 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.745 -0.905 -3.392 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.455 2.477 -4.274 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.433 3.536 -2.144 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.375 -1.271 -0.932 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.739 2.864 0.520 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.077 -0.944 1.416 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.238 1.096 2.115 1.00 0.15 H new ATOM 645 N LEU A 247 1.176 -2.872 -5.258 1.00 0.15 N ATOM 646 CA LEU A 247 0.690 -3.968 -6.050 1.00 0.14 C ATOM 647 C LEU A 247 -0.723 -4.308 -5.603 1.00 0.15 C ATOM 648 O LEU A 247 -0.991 -4.400 -4.421 1.00 0.16 O ATOM 649 CB LEU A 247 1.627 -5.171 -5.868 1.00 0.15 C ATOM 650 CG LEU A 247 2.512 -5.589 -7.051 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.839 -6.681 -7.860 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.864 -4.406 -7.935 1.00 0.17 C ATOM 0 H LEU A 247 1.116 -3.014 -4.250 1.00 0.15 H new ATOM 0 HA LEU A 247 0.669 -3.700 -7.106 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.281 -4.958 -5.022 1.00 0.15 H new ATOM 0 HB3 LEU A 247 1.016 -6.030 -5.590 1.00 0.15 H new ATOM 0 HG LEU A 247 3.444 -5.981 -6.643 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.481 -6.964 -8.694 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.665 -7.550 -7.225 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.886 -6.315 -8.243 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.491 -4.743 -8.761 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.950 -3.963 -8.331 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.404 -3.662 -7.349 1.00 0.17 H new ATOM 664 N LYS A 248 -1.583 -4.598 -6.539 1.00 0.19 N ATOM 665 CA LYS A 248 -2.889 -5.142 -6.226 1.00 0.25 C ATOM 666 C LYS A 248 -2.778 -6.633 -6.472 1.00 0.25 C ATOM 667 O LYS A 248 -1.865 -7.024 -7.184 1.00 0.21 O ATOM 668 CB LYS A 248 -3.952 -4.515 -7.131 1.00 0.34 C ATOM 669 CG LYS A 248 -5.369 -4.999 -6.875 1.00 0.77 C ATOM 670 CD LYS A 248 -6.356 -4.261 -7.764 1.00 0.95 C ATOM 671 CE LYS A 248 -7.779 -4.741 -7.553 1.00 1.57 C ATOM 672 NZ LYS A 248 -7.961 -6.157 -7.963 1.00 2.06 N ATOM 0 H LYS A 248 -1.407 -4.468 -7.535 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.186 -4.931 -5.199 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -3.924 -3.433 -7.006 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.694 -4.722 -8.169 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.432 -6.071 -7.064 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.628 -4.844 -5.828 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.300 -3.192 -7.559 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.077 -4.400 -8.809 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -8.045 -4.632 -6.502 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -8.462 -4.109 -8.122 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -8.713 -6.217 -8.678 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -7.072 -6.519 -8.364 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -8.225 -6.727 -7.134 1.00 2.06 H new ATOM 686 N ASN A 249 -3.516 -7.463 -5.738 1.00 0.34 N ATOM 687 CA ASN A 249 -3.337 -8.922 -5.845 1.00 0.40 C ATOM 688 C ASN A 249 -3.053 -9.356 -7.292 1.00 0.35 C ATOM 689 O ASN A 249 -3.928 -9.313 -8.158 1.00 0.35 O ATOM 690 CB ASN A 249 -4.565 -9.673 -5.314 1.00 0.61 C ATOM 691 CG ASN A 249 -5.893 -9.081 -5.773 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.891 -9.161 -4.922 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -6.038 -8.594 -6.892 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.231 -7.166 -5.074 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.473 -9.178 -5.232 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -4.511 -10.713 -5.636 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.536 -9.675 -4.224 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -5.246 -8.544 -7.533 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.950 -8.240 -7.180 1.00 1.19 H new ATOM 700 N GLY A 250 -1.788 -9.671 -7.560 1.00 0.35 N ATOM 701 CA GLY A 250 -1.357 -10.002 -8.908 1.00 0.35 C ATOM 702 C GLY A 250 -1.103 -8.782 -9.794 1.00 0.33 C ATOM 703 O GLY A 250 -0.134 -8.759 -10.553 1.00 0.39 O ATOM 0 H GLY A 250 -1.047 -9.703 -6.860 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.444 -10.594 -8.852 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.115 -10.629 -9.378 1.00 0.35 H new ATOM 707 N GLN A 251 -2.004 -7.804 -9.748 1.00 0.30 N ATOM 708 CA GLN A 251 -1.930 -6.626 -10.619 1.00 0.36 C ATOM 709 C GLN A 251 -0.956 -5.585 -10.074 1.00 0.25 C ATOM 710 O GLN A 251 -0.901 -5.341 -8.881 1.00 0.28 O ATOM 711 CB GLN A 251 -3.311 -5.996 -10.756 1.00 0.52 C ATOM 712 CG GLN A 251 -3.386 -4.876 -11.781 1.00 1.28 C ATOM 713 CD GLN A 251 -4.731 -4.180 -11.773 1.00 2.00 C ATOM 714 OE1 GLN A 251 -5.187 -3.709 -10.734 1.00 2.77 O ATOM 715 NE2 GLN A 251 -5.368 -4.094 -12.927 1.00 2.59 N ATOM 0 H GLN A 251 -2.802 -7.802 -9.112 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.570 -6.957 -11.593 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.026 -6.772 -11.029 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.618 -5.606 -9.785 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -2.601 -4.147 -11.578 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -3.195 -5.282 -12.774 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -4.956 -4.498 -13.768 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -6.272 -3.624 -12.977 1.00 2.59 H new ATOM 724 N GLU A 252 -0.210 -4.941 -10.945 1.00 0.26 N ATOM 725 CA GLU A 252 0.738 -3.936 -10.495 1.00 0.25 C ATOM 726 C GLU A 252 0.101 -2.556 -10.371 1.00 0.27 C ATOM 727 O GLU A 252 -0.731 -2.158 -11.190 1.00 0.32 O ATOM 728 CB GLU A 252 1.957 -3.909 -11.400 1.00 0.32 C ATOM 729 CG GLU A 252 2.735 -5.208 -11.344 1.00 0.60 C ATOM 730 CD GLU A 252 4.043 -5.133 -12.103 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.913 -4.329 -11.710 1.00 1.60 O ATOM 732 OE2 GLU A 252 4.218 -5.892 -13.082 1.00 1.49 O ATOM 0 H GLU A 252 -0.237 -5.089 -11.954 1.00 0.26 H new ATOM 0 HA GLU A 252 1.063 -4.217 -9.493 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.642 -3.719 -12.426 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.607 -3.084 -11.108 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.936 -5.463 -10.303 1.00 0.60 H new ATOM 0 HG3 GLU A 252 2.125 -6.011 -11.756 1.00 0.60 H new ATOM 739 N ILE A 253 0.429 -1.887 -9.272 1.00 0.23 N ATOM 740 CA ILE A 253 -0.142 -0.595 -8.919 1.00 0.27 C ATOM 741 C ILE A 253 0.931 0.509 -8.994 1.00 0.28 C ATOM 742 O ILE A 253 1.880 0.556 -8.191 1.00 0.28 O ATOM 743 CB ILE A 253 -0.787 -0.708 -7.511 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.235 -1.176 -7.616 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.691 0.565 -6.700 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.860 -1.473 -6.270 1.00 0.33 C ATOM 0 H ILE A 253 1.108 -2.232 -8.593 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.919 -0.313 -9.630 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.208 -1.456 -6.970 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.823 -0.410 -8.122 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.277 -2.072 -8.236 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.162 0.414 -5.729 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.357 0.828 -6.558 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.199 1.372 -7.228 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.890 -1.801 -6.411 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.294 -2.260 -5.771 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.847 -0.572 -5.656 1.00 0.33 H new ATOM 758 N GLN A 254 0.879 1.269 -10.082 1.00 0.36 N ATOM 759 CA GLN A 254 1.936 2.204 -10.436 1.00 0.43 C ATOM 760 C GLN A 254 1.756 3.583 -9.813 1.00 0.61 C ATOM 761 O GLN A 254 2.479 4.513 -10.176 1.00 1.42 O ATOM 762 CB GLN A 254 1.977 2.352 -11.947 1.00 0.70 C ATOM 763 CG GLN A 254 2.865 1.343 -12.668 1.00 1.00 C ATOM 764 CD GLN A 254 2.385 -0.089 -12.547 1.00 1.75 C ATOM 765 OE1 GLN A 254 2.534 -0.725 -11.503 1.00 2.63 O ATOM 766 NE2 GLN A 254 1.801 -0.604 -13.613 1.00 2.21 N ATOM 0 H GLN A 254 0.102 1.253 -10.743 1.00 0.36 H new ATOM 0 HA GLN A 254 2.867 1.794 -10.046 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.962 2.262 -12.334 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.323 3.357 -12.190 1.00 0.70 H new ATOM 0 HG2 GLN A 254 2.920 1.610 -13.723 1.00 1.00 H new ATOM 0 HG3 GLN A 254 3.877 1.412 -12.268 1.00 1.00 H new ATOM 0 HE21 GLN A 254 1.697 -0.043 -14.459 1.00 2.21 H new ATOM 0 HE22 GLN A 254 1.454 -1.563 -13.591 1.00 2.21 H new ATOM 775 N MET A 255 0.784 3.710 -8.912 1.00 0.59 N ATOM 776 CA MET A 255 0.488 4.984 -8.224 1.00 0.61 C ATOM 777 C MET A 255 -0.276 5.949 -9.136 1.00 0.65 C ATOM 778 O MET A 255 -0.111 5.930 -10.358 1.00 0.95 O ATOM 779 CB MET A 255 1.770 5.664 -7.724 1.00 0.95 C ATOM 780 CG MET A 255 2.636 4.791 -6.830 1.00 1.58 C ATOM 781 SD MET A 255 4.386 5.218 -6.944 1.00 2.30 S ATOM 782 CE MET A 255 4.366 6.909 -6.358 1.00 2.61 C ATOM 0 H MET A 255 0.176 2.940 -8.633 1.00 0.59 H new ATOM 0 HA MET A 255 -0.138 4.738 -7.366 1.00 0.61 H new ATOM 0 HB2 MET A 255 2.360 5.979 -8.585 1.00 0.95 H new ATOM 0 HB3 MET A 255 1.498 6.567 -7.177 1.00 0.95 H new ATOM 0 HG2 MET A 255 2.306 4.893 -5.796 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.501 3.745 -7.106 1.00 1.58 H new ATOM 0 HE1 MET A 255 4.994 7.525 -7.002 1.00 2.61 H new ATOM 0 HE2 MET A 255 3.344 7.289 -6.377 1.00 2.61 H new ATOM 0 HE3 MET A 255 4.747 6.945 -5.338 1.00 2.61 H new ATOM 792 N SER A 256 -1.124 6.780 -8.537 1.00 0.57 N ATOM 793 CA SER A 256 -1.915 7.759 -9.277 1.00 0.69 C ATOM 794 C SER A 256 -2.342 8.910 -8.363 1.00 1.00 C ATOM 795 O SER A 256 -2.123 8.863 -7.151 1.00 1.47 O ATOM 796 CB SER A 256 -3.157 7.100 -9.886 1.00 0.76 C ATOM 797 OG SER A 256 -2.822 5.980 -10.693 1.00 1.64 O ATOM 0 H SER A 256 -1.282 6.794 -7.529 1.00 0.57 H new ATOM 0 HA SER A 256 -1.293 8.155 -10.080 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.828 6.784 -9.088 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.698 7.831 -10.487 1.00 0.76 H new ATOM 0 HG SER A 256 -3.640 5.586 -11.062 1.00 1.64 H new ATOM 803 N GLY A 257 -2.934 9.945 -8.950 1.00 1.01 N ATOM 804 CA GLY A 257 -3.360 11.100 -8.181 1.00 1.41 C ATOM 805 C GLY A 257 -4.832 11.059 -7.817 1.00 1.28 C ATOM 806 O GLY A 257 -5.513 12.084 -7.851 1.00 1.69 O ATOM 0 H GLY A 257 -3.127 10.004 -9.950 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -2.767 11.161 -7.268 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -3.158 12.005 -8.753 1.00 1.41 H new ATOM 810 N SER A 258 -5.303 9.890 -7.406 1.00 1.07 N ATOM 811 CA SER A 258 -6.684 9.716 -6.964 1.00 0.96 C ATOM 812 C SER A 258 -6.809 8.356 -6.286 1.00 0.74 C ATOM 813 O SER A 258 -6.950 8.269 -5.068 1.00 1.14 O ATOM 814 CB SER A 258 -7.650 9.825 -8.153 1.00 1.08 C ATOM 815 OG SER A 258 -9.006 9.791 -7.734 1.00 1.77 O ATOM 0 H SER A 258 -4.744 9.038 -7.369 1.00 1.07 H new ATOM 0 HA SER A 258 -6.947 10.502 -6.256 1.00 0.96 H new ATOM 0 HB2 SER A 258 -7.459 10.753 -8.693 1.00 1.08 H new ATOM 0 HB3 SER A 258 -7.464 9.007 -8.849 1.00 1.08 H new ATOM 0 HG SER A 258 -9.592 9.864 -8.516 1.00 1.77 H new ATOM 821 N LYS A 259 -6.486 7.321 -7.038 1.00 0.51 N ATOM 822 CA LYS A 259 -6.277 6.004 -6.469 1.00 0.37 C ATOM 823 C LYS A 259 -4.777 5.769 -6.393 1.00 0.33 C ATOM 824 O LYS A 259 -4.039 6.364 -7.168 1.00 0.45 O ATOM 825 CB LYS A 259 -6.939 4.925 -7.330 1.00 0.48 C ATOM 826 CG LYS A 259 -8.452 5.054 -7.435 1.00 1.11 C ATOM 827 CD LYS A 259 -9.046 3.947 -8.296 1.00 1.59 C ATOM 828 CE LYS A 259 -8.786 2.571 -7.703 1.00 2.02 C ATOM 829 NZ LYS A 259 -9.073 1.481 -8.673 1.00 2.41 N ATOM 0 H LYS A 259 -6.362 7.368 -8.049 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.726 5.950 -5.477 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.512 4.962 -8.332 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.697 3.946 -6.916 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.892 5.017 -6.438 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.707 6.025 -7.861 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -10.120 4.102 -8.398 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -8.620 3.998 -9.298 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -7.746 2.506 -7.382 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -9.403 2.437 -6.815 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -9.712 0.786 -8.236 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -9.524 1.881 -9.521 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -8.184 1.013 -8.942 1.00 2.41 H new ATOM 843 N TYR A 260 -4.324 4.920 -5.471 1.00 0.24 N ATOM 844 CA TYR A 260 -2.897 4.622 -5.339 1.00 0.27 C ATOM 845 C TYR A 260 -2.088 5.917 -5.154 1.00 0.27 C ATOM 846 O TYR A 260 -1.133 6.177 -5.882 1.00 0.29 O ATOM 847 CB TYR A 260 -2.389 3.843 -6.567 1.00 0.33 C ATOM 848 CG TYR A 260 -3.448 2.994 -7.244 1.00 0.43 C ATOM 849 CD1 TYR A 260 -4.003 1.900 -6.591 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.878 3.271 -8.535 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.955 1.109 -7.206 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.825 2.482 -9.158 1.00 1.11 C ATOM 853 CZ TYR A 260 -5.424 1.474 -8.478 1.00 0.95 C ATOM 854 OH TYR A 260 -6.289 0.603 -9.115 1.00 1.24 O ATOM 0 H TYR A 260 -4.921 4.428 -4.807 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.760 4.000 -4.455 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.988 4.551 -7.292 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.564 3.200 -6.260 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.685 1.664 -5.586 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -3.464 4.119 -9.061 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.332 0.224 -6.716 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -5.089 2.668 -10.189 1.00 1.11 H new ATOM 0 HH TYR A 260 -6.541 0.972 -9.987 1.00 1.24 H new ATOM 864 N ILE A 261 -2.502 6.732 -4.193 1.00 0.26 N ATOM 865 CA ILE A 261 -1.862 8.017 -3.925 1.00 0.27 C ATOM 866 C ILE A 261 -0.621 7.830 -3.047 1.00 0.28 C ATOM 867 O ILE A 261 -0.647 7.065 -2.093 1.00 0.35 O ATOM 868 CB ILE A 261 -2.843 8.962 -3.190 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.100 9.219 -4.027 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.168 10.270 -2.822 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.074 10.174 -3.369 1.00 0.39 C ATOM 0 H ILE A 261 -3.288 6.524 -3.578 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.572 8.450 -4.882 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.148 8.466 -2.269 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.806 9.622 -4.996 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.603 8.270 -4.215 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.880 10.915 -2.307 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.320 10.070 -2.167 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.818 10.766 -3.727 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.941 10.312 -4.015 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.396 9.763 -2.412 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.587 11.135 -3.206 1.00 0.39 H new ATOM 883 N PHE A 262 0.457 8.537 -3.348 1.00 0.30 N ATOM 884 CA PHE A 262 1.658 8.431 -2.529 1.00 0.32 C ATOM 885 C PHE A 262 1.661 9.478 -1.415 1.00 0.30 C ATOM 886 O PHE A 262 1.285 10.633 -1.630 1.00 0.37 O ATOM 887 CB PHE A 262 2.928 8.537 -3.392 1.00 0.46 C ATOM 888 CG PHE A 262 3.165 9.883 -4.027 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.779 10.907 -3.317 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.775 10.124 -5.333 1.00 0.84 C ATOM 891 CE1 PHE A 262 4.001 12.137 -3.900 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.994 11.354 -5.920 1.00 1.09 C ATOM 893 CZ PHE A 262 3.605 12.362 -5.202 1.00 1.18 C ATOM 0 H PHE A 262 0.528 9.179 -4.137 1.00 0.30 H new ATOM 0 HA PHE A 262 1.654 7.447 -2.060 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.790 8.289 -2.773 1.00 0.46 H new ATOM 0 HB3 PHE A 262 2.875 7.786 -4.180 1.00 0.46 H new ATOM 0 HD1 PHE A 262 4.086 10.738 -2.296 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.294 9.340 -5.899 1.00 0.84 H new ATOM 0 HE1 PHE A 262 4.484 12.923 -3.338 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.687 11.528 -6.941 1.00 1.09 H new ATOM 0 HZ PHE A 262 3.773 13.326 -5.659 1.00 1.18 H new ATOM 903 N GLU A 263 2.072 9.059 -0.225 1.00 0.26 N ATOM 904 CA GLU A 263 2.149 9.947 0.929 1.00 0.30 C ATOM 905 C GLU A 263 3.377 9.594 1.765 1.00 0.28 C ATOM 906 O GLU A 263 3.577 8.433 2.122 1.00 0.33 O ATOM 907 CB GLU A 263 0.871 9.825 1.773 1.00 0.37 C ATOM 908 CG GLU A 263 0.904 10.605 3.083 1.00 0.56 C ATOM 909 CD GLU A 263 0.949 12.108 2.890 1.00 1.07 C ATOM 910 OE1 GLU A 263 0.970 12.572 1.733 1.00 1.79 O ATOM 911 OE2 GLU A 263 0.962 12.842 3.903 1.00 1.73 O ATOM 0 H GLU A 263 2.360 8.100 -0.032 1.00 0.26 H new ATOM 0 HA GLU A 263 2.239 10.978 0.587 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.024 10.170 1.180 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.696 8.772 1.995 1.00 0.37 H new ATOM 0 HG2 GLU A 263 0.023 10.348 3.672 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.775 10.294 3.660 1.00 0.56 H new ATOM 918 N SER A 264 4.256 10.561 1.975 1.00 0.34 N ATOM 919 CA SER A 264 5.506 10.309 2.681 1.00 0.36 C ATOM 920 C SER A 264 5.486 10.904 4.084 1.00 0.34 C ATOM 921 O SER A 264 5.216 12.094 4.259 1.00 0.39 O ATOM 922 CB SER A 264 6.674 10.883 1.879 1.00 0.46 C ATOM 923 OG SER A 264 6.350 12.156 1.347 1.00 1.41 O ATOM 0 H SER A 264 4.129 11.526 1.668 1.00 0.34 H new ATOM 0 HA SER A 264 5.629 9.231 2.783 1.00 0.36 H new ATOM 0 HB2 SER A 264 7.553 10.966 2.519 1.00 0.46 H new ATOM 0 HB3 SER A 264 6.933 10.202 1.068 1.00 0.46 H new ATOM 0 HG SER A 264 7.114 12.503 0.840 1.00 1.41 H new ATOM 929 N ILE A 265 5.753 10.072 5.086 1.00 0.31 N ATOM 930 CA ILE A 265 5.781 10.534 6.465 1.00 0.34 C ATOM 931 C ILE A 265 7.030 10.018 7.185 1.00 0.38 C ATOM 932 O ILE A 265 7.034 8.898 7.709 1.00 0.42 O ATOM 933 CB ILE A 265 4.524 10.085 7.246 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.256 10.314 6.414 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.429 10.842 8.564 1.00 0.73 C ATOM 936 CD1 ILE A 265 1.997 9.784 7.062 1.00 1.31 C ATOM 0 H ILE A 265 5.952 9.079 4.967 1.00 0.31 H new ATOM 0 HA ILE A 265 5.800 11.623 6.434 1.00 0.34 H new ATOM 0 HB ILE A 265 4.611 9.018 7.453 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.139 11.383 6.234 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.380 9.839 5.441 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.540 10.518 9.106 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.315 10.638 9.165 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.363 11.912 8.365 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.143 9.983 6.415 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.092 8.709 7.217 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.847 10.277 8.022 1.00 1.31 H new ATOM 948 N GLY A 266 8.075 10.844 7.218 1.00 0.48 N ATOM 949 CA GLY A 266 9.303 10.499 7.924 1.00 0.65 C ATOM 950 C GLY A 266 9.810 9.112 7.585 1.00 0.86 C ATOM 951 O GLY A 266 9.777 8.218 8.434 1.00 1.93 O ATOM 0 H GLY A 266 8.093 11.757 6.763 1.00 0.48 H new ATOM 0 HA2 GLY A 266 10.073 11.231 7.681 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.129 10.564 8.998 1.00 0.65 H new ATOM 955 N ALA A 267 10.109 8.901 6.301 1.00 0.48 N ATOM 956 CA ALA A 267 10.470 7.587 5.757 1.00 0.39 C ATOM 957 C ALA A 267 9.258 6.693 5.624 1.00 0.30 C ATOM 958 O ALA A 267 9.139 5.961 4.643 1.00 0.32 O ATOM 959 CB ALA A 267 11.516 6.869 6.583 1.00 0.44 C ATOM 0 H ALA A 267 10.108 9.644 5.602 1.00 0.48 H new ATOM 0 HA ALA A 267 10.894 7.789 4.773 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.739 5.904 6.128 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.424 7.470 6.623 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.139 6.715 7.594 1.00 0.44 H new ATOM 965 N LYS A 268 8.378 6.720 6.615 1.00 0.26 N ATOM 966 CA LYS A 268 7.205 5.880 6.568 1.00 0.25 C ATOM 967 C LYS A 268 6.342 6.303 5.400 1.00 0.29 C ATOM 968 O LYS A 268 5.874 7.439 5.324 1.00 0.47 O ATOM 969 CB LYS A 268 6.423 5.926 7.879 1.00 0.28 C ATOM 970 CG LYS A 268 7.114 5.200 9.026 1.00 0.30 C ATOM 971 CD LYS A 268 6.281 5.283 10.297 1.00 0.41 C ATOM 972 CE LYS A 268 6.979 4.648 11.489 1.00 1.20 C ATOM 973 NZ LYS A 268 7.014 3.164 11.405 1.00 2.00 N ATOM 0 H LYS A 268 8.457 7.307 7.446 1.00 0.26 H new ATOM 0 HA LYS A 268 7.518 4.845 6.430 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.264 6.967 8.162 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.439 5.485 7.721 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.274 4.156 8.758 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.097 5.638 9.200 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.066 6.328 10.520 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.324 4.788 10.134 1.00 0.41 H new ATOM 0 HE2 LYS A 268 7.998 5.029 11.554 1.00 1.20 H new ATOM 0 HE3 LYS A 268 6.468 4.945 12.405 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.535 2.758 12.234 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 6.530 2.854 10.538 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.002 2.841 11.384 1.00 2.00 H new ATOM 987 N ARG A 269 6.289 5.443 4.410 1.00 0.16 N ATOM 988 CA ARG A 269 5.612 5.761 3.188 1.00 0.16 C ATOM 989 C ARG A 269 4.212 5.179 3.205 1.00 0.18 C ATOM 990 O ARG A 269 3.931 4.242 3.948 1.00 0.17 O ATOM 991 CB ARG A 269 6.408 5.274 1.974 1.00 0.20 C ATOM 992 CG ARG A 269 5.944 5.905 0.679 1.00 0.53 C ATOM 993 CD ARG A 269 6.068 7.424 0.685 1.00 0.79 C ATOM 994 NE ARG A 269 7.402 7.906 0.307 1.00 0.69 N ATOM 995 CZ ARG A 269 8.435 8.047 1.141 1.00 0.97 C ATOM 996 NH1 ARG A 269 8.322 7.718 2.423 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.580 8.544 0.695 1.00 1.17 N ATOM 0 H ARG A 269 6.711 4.515 4.434 1.00 0.16 H new ATOM 0 HA ARG A 269 5.531 6.845 3.104 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.464 5.497 2.124 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.319 4.190 1.897 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.529 5.500 -0.147 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.905 5.630 0.498 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.332 7.843 -0.001 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.825 7.796 1.680 1.00 0.79 H new ATOM 0 HE ARG A 269 7.552 8.153 -0.671 1.00 0.69 H new ATOM 0 HH11 ARG A 269 7.439 7.353 2.780 1.00 1.85 H new ATOM 0 HH12 ARG A 269 9.118 7.830 3.050 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.670 8.818 -0.283 1.00 1.17 H new ATOM 0 HH22 ARG A 269 10.371 8.653 1.330 1.00 1.17 H new ATOM 1011 N THR A 270 3.295 5.892 2.595 1.00 0.18 N ATOM 1012 CA THR A 270 1.901 5.543 2.678 1.00 0.18 C ATOM 1013 C THR A 270 1.230 5.611 1.313 1.00 0.19 C ATOM 1014 O THR A 270 1.371 6.601 0.588 1.00 0.22 O ATOM 1015 CB THR A 270 1.184 6.479 3.666 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.759 6.333 4.974 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.299 6.184 3.725 1.00 0.24 C ATOM 0 H THR A 270 3.493 6.721 2.034 1.00 0.18 H new ATOM 0 HA THR A 270 1.830 4.516 3.036 1.00 0.18 H new ATOM 0 HB THR A 270 1.313 7.504 3.318 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.302 6.931 5.601 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.777 6.862 4.432 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.737 6.322 2.737 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.453 5.155 4.049 1.00 0.24 H new ATOM 1025 N LEU A 271 0.504 4.553 0.974 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.245 4.508 -0.272 1.00 0.17 C ATOM 1027 C LEU A 271 -1.713 4.826 0.001 1.00 0.16 C ATOM 1028 O LEU A 271 -2.461 3.969 0.447 1.00 0.17 O ATOM 1029 CB LEU A 271 -0.114 3.120 -0.912 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.582 2.973 -2.367 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -2.092 2.812 -2.457 1.00 0.56 C ATOM 1032 CD2 LEU A 271 -0.116 4.153 -3.201 1.00 0.49 C ATOM 0 H LEU A 271 0.419 3.714 1.547 1.00 0.17 H new ATOM 0 HA LEU A 271 0.158 5.250 -0.961 1.00 0.17 H new ATOM 0 HB2 LEU A 271 0.933 2.822 -0.862 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.676 2.412 -0.303 1.00 0.20 H new ATOM 0 HG LEU A 271 -0.131 2.065 -2.768 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.385 2.711 -3.502 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.396 1.922 -1.907 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.578 3.688 -2.027 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.458 4.030 -4.229 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.528 5.075 -2.790 1.00 0.49 H new ATOM 0 HD23 LEU A 271 0.973 4.203 -3.184 1.00 0.49 H new ATOM 1044 N THR A 272 -2.126 6.039 -0.282 1.00 0.18 N ATOM 1045 CA THR A 272 -3.504 6.432 -0.068 1.00 0.21 C ATOM 1046 C THR A 272 -4.379 5.967 -1.234 1.00 0.22 C ATOM 1047 O THR A 272 -4.318 6.508 -2.334 1.00 0.29 O ATOM 1048 CB THR A 272 -3.612 7.955 0.109 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.553 8.421 0.960 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.945 8.331 0.724 1.00 0.30 C ATOM 0 H THR A 272 -1.529 6.774 -0.662 1.00 0.18 H new ATOM 0 HA THR A 272 -3.859 5.954 0.845 1.00 0.21 H new ATOM 0 HB THR A 272 -3.532 8.420 -0.873 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.624 9.392 1.069 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.000 9.413 0.840 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.753 7.994 0.075 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.042 7.856 1.700 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.145 4.919 -1.003 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.992 4.352 -2.038 1.00 0.26 C ATOM 1060 C ILE A 273 -7.438 4.811 -1.855 1.00 0.28 C ATOM 1061 O ILE A 273 -8.016 4.688 -0.772 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.879 2.795 -2.080 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.616 2.326 -3.512 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.115 2.093 -1.520 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.715 2.684 -4.486 1.00 0.86 C ATOM 0 H ILE A 273 -5.199 4.440 -0.104 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.643 4.719 -3.003 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.041 2.522 -1.439 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.679 2.762 -3.860 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.483 1.244 -3.511 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -6.977 1.013 -1.576 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.261 2.387 -0.480 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.991 2.377 -2.103 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.455 2.318 -5.479 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.650 2.226 -4.164 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.834 3.767 -4.519 1.00 0.86 H new ATOM 1077 N SER A 274 -7.980 5.417 -2.901 1.00 0.33 N ATOM 1078 CA SER A 274 -9.337 5.931 -2.876 1.00 0.39 C ATOM 1079 C SER A 274 -10.239 5.050 -3.730 1.00 0.45 C ATOM 1080 O SER A 274 -9.764 4.413 -4.672 1.00 0.50 O ATOM 1081 CB SER A 274 -9.367 7.370 -3.392 1.00 0.52 C ATOM 1082 OG SER A 274 -8.373 8.161 -2.757 1.00 1.13 O ATOM 0 H SER A 274 -7.493 5.565 -3.785 1.00 0.33 H new ATOM 0 HA SER A 274 -9.700 5.922 -1.848 1.00 0.39 H new ATOM 0 HB2 SER A 274 -9.208 7.376 -4.470 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.351 7.804 -3.213 1.00 0.52 H new ATOM 0 HG SER A 274 -7.657 8.361 -3.395 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.531 5.023 -3.402 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.513 4.246 -4.159 1.00 0.62 C ATOM 1090 C GLN A 275 -12.185 2.756 -4.099 1.00 0.62 C ATOM 1091 O GLN A 275 -12.020 2.104 -5.134 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.568 4.711 -5.619 1.00 0.75 C ATOM 1093 CG GLN A 275 -12.842 6.197 -5.791 1.00 0.90 C ATOM 1094 CD GLN A 275 -12.934 6.615 -7.249 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -12.955 5.647 -8.152 1.00 2.14 O flip ATOM 1096 NE2 GLN A 275 -12.993 7.806 -7.566 1.00 2.27 N flip ATOM 0 H GLN A 275 -11.924 5.534 -2.612 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.490 4.409 -3.704 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.621 4.470 -6.101 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.343 4.148 -6.139 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -13.774 6.451 -5.286 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.050 6.766 -5.304 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -12.975 8.527 -6.845 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -13.060 8.069 -8.549 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.103 2.229 -2.883 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.795 0.824 -2.659 1.00 0.69 C ATOM 1107 C CYS A 276 -12.445 0.382 -1.368 1.00 0.75 C ATOM 1108 O CYS A 276 -11.778 0.002 -0.409 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.282 0.593 -2.607 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.464 0.703 -4.214 1.00 2.00 S ATOM 0 H CYS A 276 -12.248 2.764 -2.027 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.186 0.235 -3.488 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.836 1.325 -1.934 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -10.090 -0.391 -2.180 1.00 0.80 H new ATOM 0 HG CYS A 276 -10.250 1.298 -5.061 1.00 2.00 H new ATOM 1116 N SER A 277 -13.748 0.567 -1.315 1.00 0.54 N ATOM 1117 CA SER A 277 -14.508 0.288 -0.121 1.00 0.52 C ATOM 1118 C SER A 277 -14.880 -1.197 -0.057 1.00 0.48 C ATOM 1119 O SER A 277 -14.026 -2.062 -0.269 1.00 0.47 O ATOM 1120 CB SER A 277 -15.752 1.179 -0.090 1.00 0.56 C ATOM 1121 OG SER A 277 -16.540 1.012 -1.258 1.00 0.63 O ATOM 0 H SER A 277 -14.305 0.913 -2.096 1.00 0.54 H new ATOM 0 HA SER A 277 -13.902 0.510 0.757 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.349 0.941 0.790 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.451 2.223 0.001 1.00 0.56 H new ATOM 0 HG SER A 277 -17.328 1.593 -1.207 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.160 -1.487 0.185 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.653 -2.863 0.251 1.00 0.54 C ATOM 1129 C LEU A 278 -16.708 -3.500 -1.139 1.00 0.58 C ATOM 1130 O LEU A 278 -17.772 -3.915 -1.599 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.048 -2.913 0.891 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.082 -3.166 2.401 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.600 -4.573 2.721 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.244 -2.137 3.140 1.00 0.79 C ATOM 0 H LEU A 278 -16.879 -0.780 0.340 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.955 -3.428 0.868 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.553 -1.969 0.689 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.625 -3.695 0.398 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.115 -3.071 2.736 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.632 -4.732 3.799 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.245 -5.300 2.228 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.577 -4.697 2.366 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.283 -2.337 4.211 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.211 -2.195 2.798 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.636 -1.139 2.943 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.576 -3.516 -1.822 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.499 -4.047 -3.174 1.00 0.61 C ATOM 1148 C ALA A 279 -14.076 -4.471 -3.501 1.00 0.58 C ATOM 1149 O ALA A 279 -13.846 -5.567 -4.006 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.986 -3.013 -4.179 1.00 0.71 C ATOM 0 H ALA A 279 -14.690 -3.164 -1.459 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.144 -4.924 -3.236 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.922 -3.426 -5.186 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.021 -2.751 -3.959 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.364 -2.120 -4.113 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.116 -3.612 -3.176 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.711 -3.919 -3.426 1.00 0.59 C ATOM 1158 C ASP A 280 -11.084 -4.640 -2.246 1.00 0.50 C ATOM 1159 O ASP A 280 -9.877 -4.886 -2.227 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.929 -2.654 -3.762 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.960 -2.352 -5.244 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -10.394 -3.144 -6.027 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -11.580 -1.340 -5.638 1.00 1.84 O ATOM 0 H ASP A 280 -13.282 -2.704 -2.742 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.668 -4.587 -4.286 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.346 -1.811 -3.210 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.895 -2.768 -3.436 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.943 -5.092 -1.340 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.547 -5.957 -0.233 1.00 0.33 C ATOM 1170 C ASP A 281 -10.898 -7.227 -0.779 1.00 0.34 C ATOM 1171 O ASP A 281 -11.573 -8.073 -1.372 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.788 -6.302 0.601 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.567 -7.436 1.586 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.766 -7.281 2.524 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -13.224 -8.486 1.435 1.00 0.81 O ATOM 0 H ASP A 281 -12.938 -4.868 -1.352 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.823 -5.444 0.400 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.105 -5.414 1.148 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.603 -6.570 -0.071 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.570 -7.273 -0.709 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.798 -8.340 -1.335 1.00 0.37 C ATOM 1182 C ALA A 282 -7.348 -8.324 -0.842 1.00 0.35 C ATOM 1183 O ALA A 282 -7.097 -8.644 0.315 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.863 -8.204 -2.845 1.00 0.48 C ATOM 0 H ALA A 282 -9.004 -6.578 -0.221 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.230 -9.300 -1.053 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -8.285 -9.004 -3.308 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.901 -8.271 -3.172 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.451 -7.240 -3.142 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.394 -7.942 -1.703 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.987 -7.865 -1.292 1.00 0.17 C ATOM 1192 C ALA A 283 -4.222 -6.793 -2.067 1.00 0.15 C ATOM 1193 O ALA A 283 -4.275 -6.752 -3.301 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.303 -9.213 -1.455 1.00 0.22 C ATOM 0 H ALA A 283 -6.568 -7.685 -2.675 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.978 -7.585 -0.239 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.261 -9.132 -1.145 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.809 -9.955 -0.837 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.347 -9.520 -2.500 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.411 -6.017 -1.342 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.517 -5.032 -1.955 1.00 0.13 C ATOM 1202 C TYR A 284 -1.077 -5.227 -1.449 1.00 0.14 C ATOM 1203 O TYR A 284 -0.774 -4.974 -0.281 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.961 -3.580 -1.662 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.109 -3.054 -2.521 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.114 -3.911 -2.978 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.197 -1.713 -2.874 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.157 -3.442 -3.754 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.241 -1.239 -3.648 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.193 -2.078 -4.097 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.259 -1.639 -4.851 1.00 0.41 O ATOM 0 H TYR A 284 -3.356 -6.053 -0.324 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.561 -5.193 -3.032 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.255 -3.514 -0.615 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.102 -2.923 -1.794 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -5.075 -4.959 -2.720 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.434 -1.026 -2.537 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.933 -4.113 -4.092 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.293 -0.189 -3.894 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.725 -0.922 -4.373 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.180 -5.593 -2.358 1.00 0.13 N ATOM 1222 CA GLN A 285 1.235 -5.730 -2.062 1.00 0.13 C ATOM 1223 C GLN A 285 1.938 -4.375 -2.146 1.00 0.12 C ATOM 1224 O GLN A 285 1.394 -3.415 -2.689 1.00 0.13 O ATOM 1225 CB GLN A 285 1.903 -6.710 -3.039 1.00 0.12 C ATOM 1226 CG GLN A 285 1.262 -8.088 -3.087 1.00 0.15 C ATOM 1227 CD GLN A 285 0.044 -8.166 -3.992 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.124 -7.181 -4.862 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.729 -9.118 -3.924 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.420 -5.804 -3.327 1.00 0.13 H new ATOM 0 HA GLN A 285 1.326 -6.119 -1.048 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.881 -6.278 -4.039 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.952 -6.820 -2.763 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.003 -8.812 -3.427 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.972 -8.379 -2.077 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.568 -9.858 -3.241 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.532 -9.168 -4.550 1.00 0.18 H new ATOM 1238 N CYS A 286 3.170 -4.317 -1.656 1.00 0.14 N ATOM 1239 CA CYS A 286 3.962 -3.087 -1.718 1.00 0.19 C ATOM 1240 C CYS A 286 5.252 -3.326 -2.442 1.00 0.19 C ATOM 1241 O CYS A 286 5.763 -4.435 -2.410 1.00 0.20 O ATOM 1242 CB CYS A 286 4.273 -2.599 -0.342 1.00 0.28 C ATOM 1243 SG CYS A 286 5.435 -3.629 0.582 1.00 1.00 S ATOM 0 H CYS A 286 3.645 -5.103 -1.212 1.00 0.14 H new ATOM 0 HA CYS A 286 3.375 -2.340 -2.252 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.680 -1.590 -0.413 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.343 -2.529 0.222 1.00 0.28 H new ATOM 0 HG CYS A 286 6.523 -2.956 0.813 1.00 1.00 H new ATOM 1249 N VAL A 287 5.652 -2.383 -3.284 1.00 0.20 N ATOM 1250 CA VAL A 287 6.694 -2.690 -4.234 1.00 0.21 C ATOM 1251 C VAL A 287 7.655 -1.524 -4.499 1.00 0.22 C ATOM 1252 O VAL A 287 7.268 -0.372 -4.701 1.00 0.24 O ATOM 1253 CB VAL A 287 6.054 -3.230 -5.543 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.565 -3.469 -5.318 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.278 -2.316 -6.737 1.00 0.27 C ATOM 0 H VAL A 287 5.282 -1.433 -3.325 1.00 0.20 H new ATOM 0 HA VAL A 287 7.322 -3.464 -3.792 1.00 0.21 H new ATOM 0 HB VAL A 287 6.549 -4.170 -5.786 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.115 -3.848 -6.235 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.430 -4.199 -4.519 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.084 -2.532 -5.038 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.807 -2.749 -7.620 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.840 -1.339 -6.534 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.348 -2.205 -6.914 1.00 0.27 H new ATOM 1265 N VAL A 288 8.926 -1.863 -4.536 1.00 0.24 N ATOM 1266 CA VAL A 288 9.973 -0.915 -4.855 1.00 0.26 C ATOM 1267 C VAL A 288 11.043 -1.635 -5.662 1.00 0.33 C ATOM 1268 O VAL A 288 11.695 -2.553 -5.156 1.00 0.37 O ATOM 1269 CB VAL A 288 10.613 -0.295 -3.588 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.883 0.451 -3.940 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.647 0.648 -2.888 1.00 0.36 C ATOM 0 H VAL A 288 9.264 -2.806 -4.345 1.00 0.24 H new ATOM 0 HA VAL A 288 9.531 -0.098 -5.425 1.00 0.26 H new ATOM 0 HB VAL A 288 10.854 -1.114 -2.910 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.316 0.879 -3.036 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.596 -0.238 -4.393 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.652 1.250 -4.645 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.125 1.067 -2.003 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.370 1.454 -3.567 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.753 0.099 -2.592 1.00 0.36 H new ATOM 1281 N GLY A 289 11.156 -1.285 -6.932 1.00 0.43 N ATOM 1282 CA GLY A 289 12.096 -1.955 -7.805 1.00 0.57 C ATOM 1283 C GLY A 289 11.719 -3.402 -8.064 1.00 0.73 C ATOM 1284 O GLY A 289 12.557 -4.297 -7.958 1.00 1.51 O ATOM 0 H GLY A 289 10.611 -0.546 -7.376 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.149 -1.421 -8.754 1.00 0.57 H new ATOM 0 HA3 GLY A 289 13.091 -1.916 -7.361 1.00 0.57 H new ATOM 1288 N GLY A 290 10.454 -3.633 -8.392 1.00 0.41 N ATOM 1289 CA GLY A 290 9.992 -4.976 -8.691 1.00 0.41 C ATOM 1290 C GLY A 290 9.607 -5.764 -7.454 1.00 0.37 C ATOM 1291 O GLY A 290 8.677 -6.570 -7.493 1.00 0.64 O ATOM 0 H GLY A 290 9.736 -2.911 -8.457 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.133 -4.917 -9.359 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.776 -5.512 -9.226 1.00 0.41 H new ATOM 1295 N GLU A 291 10.339 -5.554 -6.368 1.00 0.27 N ATOM 1296 CA GLU A 291 10.100 -6.264 -5.121 1.00 0.22 C ATOM 1297 C GLU A 291 8.713 -5.937 -4.580 1.00 0.16 C ATOM 1298 O GLU A 291 8.422 -4.777 -4.332 1.00 0.19 O ATOM 1299 CB GLU A 291 11.174 -5.853 -4.102 1.00 0.26 C ATOM 1300 CG GLU A 291 12.587 -6.173 -4.564 1.00 0.53 C ATOM 1301 CD GLU A 291 13.647 -5.602 -3.652 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.684 -5.989 -2.464 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.450 -4.768 -4.109 1.00 2.11 O ATOM 0 H GLU A 291 11.112 -4.889 -6.328 1.00 0.27 H new ATOM 0 HA GLU A 291 10.152 -7.338 -5.299 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.094 -4.783 -3.910 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.983 -6.361 -3.157 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.709 -7.255 -4.622 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.732 -5.782 -5.571 1.00 0.53 H new ATOM 1310 N LYS A 292 7.892 -6.961 -4.335 1.00 0.18 N ATOM 1311 CA LYS A 292 6.554 -6.763 -3.775 1.00 0.16 C ATOM 1312 C LYS A 292 6.349 -7.578 -2.494 1.00 0.17 C ATOM 1313 O LYS A 292 6.746 -8.736 -2.409 1.00 0.29 O ATOM 1314 CB LYS A 292 5.471 -7.094 -4.802 1.00 0.18 C ATOM 1315 CG LYS A 292 5.701 -8.369 -5.589 1.00 0.23 C ATOM 1316 CD LYS A 292 4.590 -8.564 -6.604 1.00 0.29 C ATOM 1317 CE LYS A 292 4.891 -9.703 -7.564 1.00 0.49 C ATOM 1318 NZ LYS A 292 6.119 -9.453 -8.360 1.00 1.33 N ATOM 0 H LYS A 292 8.131 -7.936 -4.516 1.00 0.18 H new ATOM 0 HA LYS A 292 6.468 -5.708 -3.515 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.514 -7.171 -4.286 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.389 -6.263 -5.502 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.664 -8.323 -6.097 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.739 -9.222 -4.911 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.654 -8.766 -6.083 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.448 -7.642 -7.168 1.00 0.29 H new ATOM 0 HE2 LYS A 292 5.006 -10.630 -7.002 1.00 0.49 H new ATOM 0 HE3 LYS A 292 4.045 -9.842 -8.237 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 6.134 -10.088 -9.183 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 6.127 -8.465 -8.685 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 6.957 -9.630 -7.770 1.00 1.33 H new ATOM 1332 N CYS A 293 5.710 -6.952 -1.510 1.00 0.16 N ATOM 1333 CA CYS A 293 5.377 -7.605 -0.248 1.00 0.18 C ATOM 1334 C CYS A 293 3.876 -7.673 -0.151 1.00 0.15 C ATOM 1335 O CYS A 293 3.211 -6.646 -0.293 1.00 0.14 O ATOM 1336 CB CYS A 293 5.913 -6.825 0.961 1.00 0.28 C ATOM 1337 SG CYS A 293 5.573 -7.612 2.556 1.00 1.55 S ATOM 0 H CYS A 293 5.409 -5.979 -1.565 1.00 0.16 H new ATOM 0 HA CYS A 293 5.833 -8.595 -0.234 1.00 0.18 H new ATOM 0 HB2 CYS A 293 6.990 -6.701 0.851 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.475 -5.827 0.959 1.00 0.28 H new ATOM 0 HG CYS A 293 6.065 -6.883 3.513 1.00 1.55 H new ATOM 1343 N SER A 294 3.337 -8.868 -0.016 1.00 0.17 N ATOM 1344 CA SER A 294 1.904 -9.035 -0.073 1.00 0.18 C ATOM 1345 C SER A 294 1.235 -8.684 1.240 1.00 0.17 C ATOM 1346 O SER A 294 1.780 -8.889 2.326 1.00 0.20 O ATOM 1347 CB SER A 294 1.542 -10.455 -0.510 1.00 0.27 C ATOM 1348 OG SER A 294 2.190 -11.431 0.290 1.00 0.61 O ATOM 0 H SER A 294 3.865 -9.728 0.132 1.00 0.17 H new ATOM 0 HA SER A 294 1.526 -8.336 -0.819 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.462 -10.591 -0.447 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.821 -10.597 -1.554 1.00 0.27 H new ATOM 0 HG SER A 294 1.935 -12.326 -0.016 1.00 0.61 H new ATOM 1354 N THR A 295 0.084 -8.063 1.107 1.00 0.17 N ATOM 1355 CA THR A 295 -0.697 -7.612 2.224 1.00 0.15 C ATOM 1356 C THR A 295 -2.166 -7.690 1.845 1.00 0.15 C ATOM 1357 O THR A 295 -2.546 -7.296 0.745 1.00 0.15 O ATOM 1358 CB THR A 295 -0.301 -6.170 2.607 1.00 0.18 C ATOM 1359 OG1 THR A 295 0.403 -6.160 3.851 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.501 -5.238 2.682 1.00 0.20 C ATOM 0 H THR A 295 -0.338 -7.856 0.202 1.00 0.17 H new ATOM 0 HA THR A 295 -0.512 -8.245 3.092 1.00 0.15 H new ATOM 0 HB THR A 295 0.351 -5.799 1.816 1.00 0.18 H new ATOM 0 HG1 THR A 295 1.013 -6.926 3.888 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.168 -4.237 2.955 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.996 -5.204 1.712 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.200 -5.605 3.433 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.971 -8.278 2.702 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.378 -8.423 2.407 1.00 0.15 C ATOM 1370 C GLU A 296 -5.107 -7.124 2.714 1.00 0.14 C ATOM 1371 O GLU A 296 -4.650 -6.310 3.521 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.970 -9.594 3.183 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.099 -10.831 3.110 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.793 -12.073 3.618 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.236 -12.078 4.782 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -4.890 -13.059 2.858 1.00 0.96 O ATOM 0 H GLU A 296 -2.678 -8.660 3.601 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.501 -8.639 1.346 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.102 -9.306 4.226 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.959 -9.825 2.789 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.791 -10.991 2.077 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.192 -10.665 3.691 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.157 -6.871 1.968 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.891 -5.633 2.088 1.00 0.15 C ATOM 1385 C LEU A 297 -8.320 -5.906 2.518 1.00 0.15 C ATOM 1386 O LEU A 297 -9.142 -6.348 1.721 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.866 -4.881 0.756 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.572 -3.531 0.768 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -7.004 -2.670 1.883 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.413 -2.840 -0.575 1.00 0.29 C ATOM 0 H LEU A 297 -6.525 -7.513 1.265 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.417 -5.013 2.849 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.828 -4.729 0.461 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.326 -5.508 -0.007 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.636 -3.684 0.947 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.510 -1.704 1.891 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.157 -3.167 2.841 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.937 -2.519 1.719 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.923 -1.877 -0.551 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.354 -2.685 -0.781 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.848 -3.461 -1.358 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.608 -5.584 3.764 1.00 0.14 N ATOM 1403 CA PHE A 298 -9.942 -5.719 4.321 1.00 0.19 C ATOM 1404 C PHE A 298 -10.571 -4.343 4.445 1.00 0.19 C ATOM 1405 O PHE A 298 -9.862 -3.349 4.558 1.00 0.24 O ATOM 1406 CB PHE A 298 -9.897 -6.403 5.692 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.545 -7.866 5.642 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.331 -8.274 5.115 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.424 -8.831 6.110 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.999 -9.615 5.053 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.098 -10.173 6.053 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.907 -10.572 5.575 1.00 0.45 C ATOM 0 H PHE A 298 -7.920 -5.219 4.423 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.541 -6.340 3.656 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.170 -5.887 6.319 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -10.869 -6.291 6.173 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.634 -7.535 4.748 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.375 -8.530 6.524 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -7.063 -9.929 4.614 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.809 -10.910 6.397 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.642 -11.619 5.588 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.878 -4.253 4.314 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.523 -2.955 4.358 1.00 0.28 C ATOM 1424 C VAL A 299 -13.571 -2.874 5.468 1.00 0.32 C ATOM 1425 O VAL A 299 -14.439 -3.738 5.595 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.144 -2.581 2.994 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.104 -3.647 2.508 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.827 -1.229 3.075 1.00 0.35 C ATOM 0 H VAL A 299 -12.506 -5.046 4.179 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.744 -2.228 4.585 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.336 -2.516 2.265 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.521 -3.350 1.546 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.572 -4.592 2.396 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.910 -3.768 3.231 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.259 -0.981 2.106 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.616 -1.265 3.826 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.097 -0.469 3.352 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.498 -1.796 6.236 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.457 -1.511 7.286 1.00 0.41 C ATOM 1440 C LYS A 300 -15.478 -0.518 6.766 1.00 0.40 C ATOM 1441 O LYS A 300 -15.115 0.510 6.196 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.730 -0.925 8.502 1.00 0.48 C ATOM 1443 CG LYS A 300 -14.580 -0.830 9.760 1.00 1.17 C ATOM 1444 CD LYS A 300 -13.866 -0.053 10.861 1.00 1.72 C ATOM 1445 CE LYS A 300 -12.499 -0.642 11.186 1.00 2.32 C ATOM 1446 NZ LYS A 300 -11.787 0.141 12.235 1.00 3.03 N ATOM 0 H LYS A 300 -12.766 -1.092 6.145 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.962 -2.430 7.585 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.854 -1.538 8.716 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.368 0.071 8.248 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -15.526 -0.343 9.525 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -14.817 -1.832 10.116 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -13.748 0.986 10.553 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -14.482 -0.051 11.760 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -12.619 -1.672 11.522 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -11.892 -0.670 10.281 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -10.862 -0.294 12.425 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -11.649 1.118 11.905 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -12.353 0.147 13.108 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.744 -0.846 6.930 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.817 0.010 6.458 1.00 0.57 C ATOM 1462 C GLU A 301 -17.839 1.318 7.244 1.00 0.65 C ATOM 1463 O GLU A 301 -18.265 2.345 6.686 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.154 -0.709 6.610 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.264 -1.952 5.751 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.373 -2.870 6.199 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -20.317 -3.359 7.343 1.00 1.21 O ATOM 1468 OE2 GLU A 301 -21.309 -3.102 5.407 1.00 1.44 O ATOM 1469 OXT GLU A 301 -17.423 1.311 8.420 1.00 1.20 O ATOM 0 H GLU A 301 -17.057 -1.702 7.388 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.647 0.238 5.406 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.295 -0.984 7.655 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -19.960 -0.023 6.350 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.436 -1.659 4.715 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.318 -2.492 5.777 1.00 0.66 H new