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+ 150:sc= 1.13 (180deg=0.649) USER MOD Set 1.2: A 295 THR OG1 : rot -153:sc= -2.38! USER MOD Set 2.1: A 276 CYS SG : rot 110:sc= -1.78 USER MOD Set 2.2: A 284 TYR OH : rot -12:sc= 1.59 USER MOD Set 3.1: A 258 SER OG : rot 134:sc= 0.431 USER MOD Set 3.2: A 275 GLN : amide:sc= -0.0364 X(o=0.39,f=0.25) USER MOD Set 4.1: A 234 THR OG1 : rot 180:sc= 0.426 USER MOD Set 4.2: A 270 THR OG1 : rot -104:sc= 0.451 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.3 F(o=-2.4,f=-0.3) USER MOD Single : A 217 LYS NZ :NH3+ 168:sc= -0.0334 (180deg=-0.209) USER MOD Single : A 223 TYR OH : rot -127:sc= -2.03! USER MOD Single : A 224 GLN :FLIP amide:sc= -0.782 F(o=-3.2!,f=-0.78) 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= -0.26 X(o=-0.26,f=-0.26) USER MOD Single : A 230 LYS NZ :NH3+ 153:sc= -0.868! (180deg=-2.89!) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.238 F(o=-2.3,f=0.24) USER MOD Single : A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 248 LYS NZ :NH3+ -177:sc= 1.08 (180deg=0.951) USER MOD Single : A 249 ASN : amide:sc= -0.695 X(o=-0.69,f=-0.89) USER MOD Single : A 251 GLN :FLIP amide:sc= -0.0284 F(o=-1.7!,f=-0.028) USER MOD Single : A 254 GLN : amide:sc= -0.39 X(o=-0.39,f=-0.81) USER MOD Single : A 255 MET CE :methyl 148:sc= -0.188 (180deg=-0.938) USER MOD Single : A 256 SER OG : rot 180:sc= 0.519 USER MOD Single : A 259 LYS NZ :NH3+ -157:sc= -0.156 (180deg=-0.682) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 180:sc= -0.751 USER MOD Single : A 277 SER OG : rot 180:sc= 0.0257 USER MOD Single : A 285 GLN :FLIP amide:sc= -12.8! C(o=-16!,f=-13!) USER MOD Single : A 286 CYS SG : rot 64:sc= -0.66 USER MOD Single : A 292 LYS NZ :NH3+ -162:sc= -0.063 (180deg=-0.37) USER MOD Single : A 293 CYS SG : rot -23:sc= -6.68! USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 12.486 -3.198 0.255 1.00 0.50 N ATOM 98 CA ALA A 214 12.875 -1.857 0.679 1.00 0.39 C ATOM 99 C ALA A 214 11.824 -1.221 1.579 1.00 0.25 C ATOM 100 O ALA A 214 11.842 -0.010 1.798 1.00 0.27 O ATOM 101 CB ALA A 214 13.151 -0.951 -0.498 1.00 0.48 C ATOM 0 HA ALA A 214 13.797 -1.974 1.249 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.437 0.037 -0.137 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.962 -1.368 -1.096 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.254 -0.868 -1.111 1.00 0.48 H new ATOM 107 N PHE A 215 11.037 -2.047 2.246 1.00 0.25 N ATOM 108 CA PHE A 215 10.177 -1.569 3.303 1.00 0.18 C ATOM 109 C PHE A 215 10.759 -2.046 4.614 1.00 0.21 C ATOM 110 O PHE A 215 10.645 -3.226 4.958 1.00 0.28 O ATOM 111 CB PHE A 215 8.736 -2.086 3.151 1.00 0.20 C ATOM 112 CG PHE A 215 8.105 -1.784 1.815 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.548 -2.418 0.667 1.00 0.41 C ATOM 114 CD2 PHE A 215 7.068 -0.864 1.703 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.973 -2.140 -0.558 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.499 -0.584 0.481 1.00 0.31 C ATOM 117 CZ PHE A 215 6.952 -1.219 -0.649 1.00 0.35 C ATOM 0 H PHE A 215 10.979 -3.050 2.071 1.00 0.25 H new ATOM 0 HA PHE A 215 10.128 -0.481 3.263 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.731 -3.165 3.306 1.00 0.20 H new ATOM 0 HB3 PHE A 215 8.121 -1.648 3.937 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.351 -3.137 0.730 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.704 -0.362 2.587 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.324 -2.645 -1.446 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.696 0.135 0.411 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.508 -0.997 -1.608 1.00 0.35 H new ATOM 127 N GLN A 216 11.397 -1.125 5.319 1.00 0.18 N ATOM 128 CA GLN A 216 11.990 -1.388 6.620 1.00 0.21 C ATOM 129 C GLN A 216 11.002 -2.156 7.469 1.00 0.24 C ATOM 130 O GLN A 216 11.263 -3.270 7.922 1.00 0.31 O ATOM 131 CB GLN A 216 12.307 -0.057 7.290 1.00 0.20 C ATOM 132 CG GLN A 216 13.637 -0.050 8.029 1.00 0.25 C ATOM 133 CD GLN A 216 13.984 1.293 8.653 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.230 2.327 8.322 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.949 1.398 9.412 1.00 0.79 N flip ATOM 0 H GLN A 216 11.519 -0.164 5.000 1.00 0.18 H new ATOM 0 HA GLN A 216 12.903 -1.973 6.506 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.317 0.728 6.534 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.509 0.186 7.992 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.611 -0.808 8.812 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.429 -0.334 7.336 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.507 0.576 9.644 1.00 0.79 H new ATOM 0 HE22 GLN A 216 15.190 2.307 9.808 1.00 0.79 H new ATOM 144 N LYS A 217 9.801 -1.623 7.499 1.00 0.20 N ATOM 145 CA LYS A 217 8.678 -2.312 8.070 1.00 0.22 C ATOM 146 C LYS A 217 7.468 -2.171 7.151 1.00 0.17 C ATOM 147 O LYS A 217 6.995 -1.066 6.918 1.00 0.17 O ATOM 148 CB LYS A 217 8.391 -1.729 9.450 1.00 0.28 C ATOM 149 CG LYS A 217 7.136 -2.265 10.094 1.00 0.36 C ATOM 150 CD LYS A 217 6.969 -1.720 11.499 1.00 0.59 C ATOM 151 CE LYS A 217 5.680 -2.207 12.137 1.00 1.26 C ATOM 152 NZ LYS A 217 5.640 -3.689 12.240 1.00 1.85 N ATOM 0 H LYS A 217 9.581 -0.699 7.127 1.00 0.20 H new ATOM 0 HA LYS A 217 8.899 -3.374 8.176 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.239 -1.935 10.103 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.309 -0.645 9.365 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.270 -1.995 9.490 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.176 -3.354 10.125 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.817 -2.025 12.112 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.973 -0.630 11.470 1.00 0.59 H new ATOM 0 HE2 LYS A 217 5.579 -1.771 13.131 1.00 1.26 H new ATOM 0 HE3 LYS A 217 4.830 -1.861 11.549 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 4.851 -3.973 12.855 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 5.506 -4.099 11.294 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 6.535 -4.033 12.643 1.00 1.85 H new ATOM 166 N LYS A 218 6.880 -3.285 6.761 1.00 0.19 N ATOM 167 CA LYS A 218 5.613 -3.255 6.046 1.00 0.20 C ATOM 168 C LYS A 218 4.497 -3.565 7.039 1.00 0.18 C ATOM 169 O LYS A 218 4.664 -4.415 7.918 1.00 0.20 O ATOM 170 CB LYS A 218 5.605 -4.258 4.875 1.00 0.31 C ATOM 171 CG LYS A 218 4.251 -4.412 4.198 1.00 0.39 C ATOM 172 CD LYS A 218 4.206 -5.712 3.427 1.00 0.96 C ATOM 173 CE LYS A 218 2.815 -6.296 3.405 1.00 1.56 C ATOM 174 NZ LYS A 218 2.401 -6.811 4.737 1.00 2.42 N ATOM 0 H LYS A 218 7.255 -4.219 6.925 1.00 0.19 H new ATOM 0 HA LYS A 218 5.461 -2.266 5.613 1.00 0.20 H new ATOM 0 HB2 LYS A 218 6.336 -3.939 4.132 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.928 -5.232 5.243 1.00 0.31 H new ATOM 0 HG2 LYS A 218 3.457 -4.394 4.945 1.00 0.39 H new ATOM 0 HG3 LYS A 218 4.074 -3.573 3.525 1.00 0.39 H new ATOM 0 HD2 LYS A 218 4.546 -5.542 2.405 1.00 0.96 H new ATOM 0 HD3 LYS A 218 4.894 -6.427 3.877 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.108 -5.534 3.076 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.774 -7.105 2.676 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 1.369 -6.727 4.836 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.677 -7.810 4.824 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 2.867 -6.257 5.484 1.00 2.42 H new ATOM 188 N LEU A 219 3.422 -2.793 6.983 1.00 0.16 N ATOM 189 CA LEU A 219 2.339 -2.921 7.951 1.00 0.16 C ATOM 190 C LEU A 219 1.672 -4.297 7.882 1.00 0.16 C ATOM 191 O LEU A 219 1.935 -5.081 6.964 1.00 0.17 O ATOM 192 CB LEU A 219 1.306 -1.814 7.764 1.00 0.20 C ATOM 193 CG LEU A 219 1.266 -0.764 8.880 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.779 -1.385 10.178 1.00 1.20 C ATOM 195 CD2 LEU A 219 2.638 -0.138 9.081 1.00 1.62 C ATOM 0 H LEU A 219 3.275 -2.071 6.278 1.00 0.16 H new ATOM 0 HA LEU A 219 2.780 -2.819 8.942 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.505 -1.309 6.819 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.319 -2.270 7.680 1.00 0.20 H new ATOM 0 HG LEU A 219 0.569 0.019 8.583 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.757 -0.625 10.959 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.224 -1.788 10.035 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.454 -2.189 10.473 1.00 1.20 H new ATOM 0 HD21 LEU A 219 2.586 0.604 9.878 1.00 1.62 H new ATOM 0 HD22 LEU A 219 3.355 -0.913 9.353 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.957 0.344 8.157 1.00 1.62 H new ATOM 207 N GLU A 220 0.896 -4.612 8.918 1.00 0.17 N ATOM 208 CA GLU A 220 0.255 -5.921 9.070 1.00 0.20 C ATOM 209 C GLU A 220 -0.451 -6.377 7.795 1.00 0.19 C ATOM 210 O GLU A 220 -1.003 -5.563 7.057 1.00 0.19 O ATOM 211 CB GLU A 220 -0.741 -5.866 10.228 1.00 0.23 C ATOM 212 CG GLU A 220 -1.811 -4.792 10.078 1.00 0.24 C ATOM 213 CD GLU A 220 -2.442 -4.434 11.404 1.00 0.75 C ATOM 214 OE1 GLU A 220 -1.784 -3.756 12.219 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.616 -4.798 11.622 1.00 1.12 O ATOM 0 H GLU A 220 0.692 -3.965 9.680 1.00 0.17 H new ATOM 0 HA GLU A 220 1.037 -6.650 9.279 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.227 -6.837 10.322 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.195 -5.692 11.155 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.370 -3.900 9.634 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.582 -5.142 9.392 1.00 0.24 H new ATOM 222 N PRO A 221 -0.391 -7.692 7.500 1.00 0.22 N ATOM 223 CA PRO A 221 -0.952 -8.289 6.271 1.00 0.23 C ATOM 224 C PRO A 221 -2.473 -8.229 6.177 1.00 0.20 C ATOM 225 O PRO A 221 -3.068 -9.024 5.464 1.00 0.19 O ATOM 226 CB PRO A 221 -0.494 -9.752 6.330 1.00 0.29 C ATOM 227 CG PRO A 221 0.620 -9.770 7.318 1.00 0.57 C ATOM 228 CD PRO A 221 0.299 -8.701 8.315 1.00 0.26 C ATOM 0 HA PRO A 221 -0.607 -7.737 5.396 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.307 -10.408 6.641 1.00 0.29 H new ATOM 0 HB3 PRO A 221 -0.160 -10.100 5.353 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.699 -10.744 7.801 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.576 -9.577 6.832 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.336 -9.075 9.119 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.199 -8.299 8.780 1.00 0.26 H new ATOM 236 N ALA A 222 -3.065 -7.183 6.725 1.00 0.20 N ATOM 237 CA ALA A 222 -4.486 -6.929 6.559 1.00 0.19 C ATOM 238 C ALA A 222 -4.775 -5.454 6.757 1.00 0.15 C ATOM 239 O ALA A 222 -5.075 -5.005 7.865 1.00 0.17 O ATOM 240 CB ALA A 222 -5.318 -7.762 7.515 1.00 0.24 C ATOM 0 H ALA A 222 -2.579 -6.490 7.294 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.763 -7.217 5.545 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.375 -7.545 7.361 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.134 -8.820 7.330 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -5.043 -7.520 8.542 1.00 0.24 H new ATOM 246 N TYR A 223 -4.707 -4.710 5.671 1.00 0.12 N ATOM 247 CA TYR A 223 -5.013 -3.295 5.701 1.00 0.11 C ATOM 248 C TYR A 223 -6.527 -3.114 5.693 1.00 0.13 C ATOM 249 O TYR A 223 -7.234 -3.789 4.939 1.00 0.17 O ATOM 250 CB TYR A 223 -4.373 -2.583 4.501 1.00 0.12 C ATOM 251 CG TYR A 223 -2.865 -2.413 4.587 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.114 -3.203 5.447 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.195 -1.457 3.836 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.742 -3.047 5.553 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.825 -1.296 3.941 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.098 -2.108 4.691 1.00 0.16 C ATOM 257 OH TYR A 223 1.257 -1.938 4.914 1.00 0.21 O ATOM 0 H TYR A 223 -4.441 -5.065 4.752 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.603 -2.852 6.608 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.610 -3.143 3.596 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.829 -1.599 4.395 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.609 -3.954 6.045 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.753 -0.828 3.158 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.173 -3.621 6.270 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.341 -0.495 3.402 1.00 0.20 H new ATOM 0 HH TYR A 223 1.451 -0.985 5.037 1.00 0.21 H new ATOM 267 N GLN A 224 -7.027 -2.316 6.627 1.00 0.15 N ATOM 268 CA GLN A 224 -8.462 -2.161 6.805 1.00 0.18 C ATOM 269 C GLN A 224 -8.956 -0.821 6.276 1.00 0.17 C ATOM 270 O GLN A 224 -8.813 0.206 6.942 1.00 0.22 O ATOM 271 CB GLN A 224 -8.821 -2.288 8.286 1.00 0.26 C ATOM 272 CG GLN A 224 -8.475 -3.644 8.881 1.00 0.34 C ATOM 273 CD GLN A 224 -9.404 -4.751 8.422 1.00 0.61 C ATOM 274 OE1 GLN A 224 -10.519 -4.383 7.808 1.00 1.42 O flip ATOM 275 NE2 GLN A 224 -9.134 -5.931 8.643 1.00 0.99 N flip ATOM 0 H GLN A 224 -6.459 -1.767 7.272 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.951 -2.951 6.234 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.300 -1.511 8.846 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -9.889 -2.108 8.409 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -7.451 -3.902 8.610 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -8.510 -3.576 9.968 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -8.265 -6.175 9.119 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -9.779 -6.665 8.351 1.00 0.99 H new ATOM 284 N VAL A 225 -9.551 -0.833 5.087 1.00 0.16 N ATOM 285 CA VAL A 225 -10.108 0.379 4.508 1.00 0.18 C ATOM 286 C VAL A 225 -11.261 0.881 5.343 1.00 0.24 C ATOM 287 O VAL A 225 -12.231 0.173 5.505 1.00 0.30 O ATOM 288 CB VAL A 225 -10.687 0.155 3.093 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.888 1.488 2.380 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.829 -0.786 2.272 1.00 0.77 C ATOM 0 H VAL A 225 -9.658 -1.667 4.509 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.280 1.087 4.469 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.660 -0.324 3.206 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.296 1.311 1.385 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.581 2.106 2.952 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.931 2.002 2.293 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.273 -0.915 1.285 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.828 -0.368 2.168 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.768 -1.753 2.772 1.00 0.77 H new ATOM 300 N SER A 226 -11.319 2.166 5.545 1.00 0.26 N ATOM 301 CA SER A 226 -12.584 2.745 5.920 1.00 0.33 C ATOM 302 C SER A 226 -13.261 3.163 4.622 1.00 0.32 C ATOM 303 O SER A 226 -12.678 3.948 3.872 1.00 0.32 O ATOM 304 CB SER A 226 -12.383 3.933 6.855 1.00 0.42 C ATOM 305 OG SER A 226 -11.733 3.537 8.052 1.00 1.20 O ATOM 0 H SER A 226 -10.538 2.816 5.461 1.00 0.26 H new ATOM 0 HA SER A 226 -13.202 2.032 6.466 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.792 4.699 6.353 1.00 0.42 H new ATOM 0 HB3 SER A 226 -13.348 4.380 7.093 1.00 0.42 H new ATOM 0 HG SER A 226 -11.615 4.317 8.633 1.00 1.20 H new ATOM 311 N LYS A 227 -14.244 2.375 4.196 1.00 0.34 N ATOM 312 CA LYS A 227 -14.769 2.481 2.832 1.00 0.37 C ATOM 313 C LYS A 227 -14.983 3.923 2.397 1.00 0.42 C ATOM 314 O LYS A 227 -15.682 4.699 3.051 1.00 0.48 O ATOM 315 CB LYS A 227 -16.072 1.685 2.658 1.00 0.44 C ATOM 316 CG LYS A 227 -17.150 2.428 1.869 1.00 0.95 C ATOM 317 CD LYS A 227 -18.434 1.630 1.713 1.00 0.93 C ATOM 318 CE LYS A 227 -19.291 1.678 2.965 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.717 1.389 2.661 1.00 1.54 N ATOM 0 H LYS A 227 -14.693 1.660 4.768 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.005 2.047 2.187 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -15.848 0.746 2.152 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.466 1.431 3.642 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.374 3.370 2.370 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -16.762 2.677 0.881 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -19.003 2.021 0.869 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.190 0.593 1.480 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.919 0.954 3.690 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.208 2.662 3.426 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -21.274 1.430 3.538 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -21.078 2.095 1.988 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.798 0.440 2.244 1.00 1.54 H new ATOM 333 N GLY A 228 -14.359 4.260 1.280 1.00 0.46 N ATOM 334 CA GLY A 228 -14.509 5.586 0.703 1.00 0.57 C ATOM 335 C GLY A 228 -13.826 6.668 1.514 1.00 0.57 C ATOM 336 O GLY A 228 -13.811 7.833 1.119 1.00 0.70 O ATOM 0 H GLY A 228 -13.746 3.636 0.756 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.100 5.584 -0.307 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.570 5.820 0.617 1.00 0.57 H new ATOM 340 N HIS A 229 -13.180 6.265 2.594 1.00 0.47 N ATOM 341 CA HIS A 229 -12.406 7.185 3.417 1.00 0.53 C ATOM 342 C HIS A 229 -10.972 7.186 2.930 1.00 0.54 C ATOM 343 O HIS A 229 -10.124 7.917 3.441 1.00 1.02 O ATOM 344 CB HIS A 229 -12.475 6.775 4.895 1.00 0.55 C ATOM 345 CG HIS A 229 -11.721 7.679 5.828 1.00 1.32 C ATOM 346 ND1 HIS A 229 -11.994 9.022 5.962 1.00 1.94 N ATOM 347 CD2 HIS A 229 -10.690 7.421 6.667 1.00 2.31 C ATOM 348 CE1 HIS A 229 -11.161 9.551 6.841 1.00 2.66 C ATOM 349 NE2 HIS A 229 -10.362 8.602 7.283 1.00 2.89 N ATOM 0 H HIS A 229 -13.175 5.300 2.925 1.00 0.47 H new ATOM 0 HA HIS A 229 -12.821 8.189 3.332 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.520 6.747 5.203 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -12.085 5.762 4.997 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -10.215 6.464 6.822 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -11.139 10.587 7.146 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -9.620 8.725 7.972 1.00 2.89 H new ATOM 358 N LYS A 230 -10.727 6.342 1.930 1.00 0.30 N ATOM 359 CA LYS A 230 -9.409 6.172 1.332 1.00 0.28 C ATOM 360 C LYS A 230 -8.493 5.425 2.290 1.00 0.24 C ATOM 361 O LYS A 230 -8.073 5.974 3.310 1.00 0.28 O ATOM 362 CB LYS A 230 -8.782 7.528 0.976 1.00 0.36 C ATOM 363 CG LYS A 230 -9.683 8.427 0.149 1.00 1.00 C ATOM 364 CD LYS A 230 -9.158 9.856 0.088 1.00 1.23 C ATOM 365 CE LYS A 230 -9.492 10.649 1.347 1.00 1.65 C ATOM 366 NZ LYS A 230 -8.721 10.194 2.535 1.00 2.24 N ATOM 0 H LYS A 230 -11.446 5.753 1.510 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.529 5.595 0.415 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.515 8.046 1.897 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -7.856 7.356 0.428 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.766 8.027 -0.862 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.686 8.427 0.575 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -8.077 9.838 -0.051 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -9.583 10.360 -0.780 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -9.289 11.705 1.170 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -10.558 10.560 1.555 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -8.616 10.983 3.204 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -9.227 9.412 2.998 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -7.780 9.868 2.234 1.00 2.24 H new ATOM 380 N ILE A 231 -8.167 4.181 1.974 1.00 0.20 N ATOM 381 CA ILE A 231 -7.265 3.434 2.844 1.00 0.17 C ATOM 382 C ILE A 231 -5.816 3.694 2.456 1.00 0.16 C ATOM 383 O ILE A 231 -5.482 3.795 1.280 1.00 0.17 O ATOM 384 CB ILE A 231 -7.530 1.910 2.851 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.470 1.214 3.715 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.500 1.354 1.443 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.689 -0.260 3.913 1.00 0.19 C ATOM 0 H ILE A 231 -8.499 3.679 1.151 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.459 3.795 3.854 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.520 1.725 3.268 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.492 1.364 3.257 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.442 1.698 4.691 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.689 0.281 1.471 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.268 1.842 0.843 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.522 1.539 1.000 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.892 -0.666 4.536 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.650 -0.423 4.402 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.685 -0.762 2.945 1.00 0.19 H new ATOM 399 N ARG A 232 -4.984 3.901 3.457 1.00 0.17 N ATOM 400 CA ARG A 232 -3.590 4.226 3.233 1.00 0.17 C ATOM 401 C ARG A 232 -2.707 3.011 3.489 1.00 0.15 C ATOM 402 O ARG A 232 -2.882 2.314 4.492 1.00 0.19 O ATOM 403 CB ARG A 232 -3.180 5.376 4.146 1.00 0.22 C ATOM 404 CG ARG A 232 -4.003 6.635 3.955 1.00 0.34 C ATOM 405 CD ARG A 232 -3.281 7.853 4.511 1.00 0.77 C ATOM 406 NE ARG A 232 -2.946 7.707 5.928 1.00 1.44 N ATOM 407 CZ ARG A 232 -2.218 8.590 6.611 1.00 2.13 C ATOM 408 NH1 ARG A 232 -1.692 9.642 5.995 1.00 2.48 N ATOM 409 NH2 ARG A 232 -1.987 8.405 7.904 1.00 3.14 N ATOM 0 H ARG A 232 -5.252 3.849 4.440 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.462 4.528 2.193 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.265 5.052 5.183 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.130 5.610 3.970 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -4.207 6.782 2.894 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -4.967 6.522 4.452 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -2.368 8.022 3.941 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -3.908 8.735 4.378 1.00 0.77 H new ATOM 0 HE ARG A 232 -3.289 6.883 6.421 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -1.845 9.777 4.995 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -1.135 10.316 6.521 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -2.367 7.585 8.378 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -1.429 9.082 8.424 1.00 3.14 H new ATOM 423 N LEU A 233 -1.748 2.761 2.603 1.00 0.13 N ATOM 424 CA LEU A 233 -0.850 1.647 2.773 1.00 0.14 C ATOM 425 C LEU A 233 0.432 2.150 3.401 1.00 0.13 C ATOM 426 O LEU A 233 1.299 2.683 2.715 1.00 0.13 O ATOM 427 CB LEU A 233 -0.584 0.971 1.419 1.00 0.15 C ATOM 428 CG LEU A 233 -1.686 0.006 0.934 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.004 0.730 0.695 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.256 -0.715 -0.331 1.00 0.23 C ATOM 0 H LEU A 233 -1.581 3.319 1.765 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.296 0.900 3.429 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.446 1.747 0.666 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.354 0.420 1.485 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.840 -0.727 1.726 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.754 0.017 0.354 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.338 1.193 1.623 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.864 1.499 -0.064 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.049 -1.389 -0.653 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.059 0.015 -1.116 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.351 -1.289 -0.133 1.00 0.23 H new ATOM 442 N THR A 234 0.475 2.110 4.720 1.00 0.14 N ATOM 443 CA THR A 234 1.581 2.684 5.456 1.00 0.16 C ATOM 444 C THR A 234 2.663 1.649 5.711 1.00 0.16 C ATOM 445 O THR A 234 2.375 0.481 5.977 1.00 0.22 O ATOM 446 CB THR A 234 1.103 3.297 6.787 1.00 0.22 C ATOM 447 OG1 THR A 234 0.112 4.301 6.519 1.00 0.33 O ATOM 448 CG2 THR A 234 2.260 3.917 7.557 1.00 0.24 C ATOM 0 H THR A 234 -0.246 1.684 5.303 1.00 0.14 H new ATOM 0 HA THR A 234 2.005 3.480 4.844 1.00 0.16 H new ATOM 0 HB THR A 234 0.676 2.501 7.398 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.195 4.691 7.364 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.890 4.341 8.491 1.00 0.24 H new ATOM 0 HG22 THR A 234 3.004 3.151 7.776 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.716 4.704 6.957 1.00 0.24 H new ATOM 456 N VAL A 235 3.898 2.084 5.548 1.00 0.14 N ATOM 457 CA VAL A 235 5.071 1.249 5.718 1.00 0.14 C ATOM 458 C VAL A 235 6.203 2.109 6.239 1.00 0.14 C ATOM 459 O VAL A 235 6.303 3.270 5.881 1.00 0.16 O ATOM 460 CB VAL A 235 5.513 0.609 4.382 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.431 -0.289 3.842 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.825 1.688 3.370 1.00 0.14 C ATOM 0 H VAL A 235 4.118 3.046 5.289 1.00 0.14 H new ATOM 0 HA VAL A 235 4.825 0.449 6.416 1.00 0.14 H new ATOM 0 HB VAL A 235 6.407 0.013 4.565 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.760 -0.730 2.901 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.223 -1.081 4.561 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.526 0.294 3.672 1.00 0.15 H new ATOM 0 HG21 VAL A 235 6.136 1.228 2.432 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.936 2.295 3.200 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.629 2.320 3.748 1.00 0.14 H new ATOM 472 N GLU A 236 7.129 1.521 6.944 1.00 0.13 N ATOM 473 CA GLU A 236 8.331 2.231 7.282 1.00 0.13 C ATOM 474 C GLU A 236 9.342 1.905 6.212 1.00 0.13 C ATOM 475 O GLU A 236 9.708 0.752 6.059 1.00 0.17 O ATOM 476 CB GLU A 236 8.838 1.801 8.653 1.00 0.18 C ATOM 477 CG GLU A 236 9.972 2.653 9.188 1.00 0.29 C ATOM 478 CD GLU A 236 10.294 2.333 10.630 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.594 1.490 11.226 1.00 1.18 O ATOM 480 OE2 GLU A 236 11.254 2.919 11.174 1.00 1.05 O ATOM 0 H GLU A 236 7.077 0.564 7.292 1.00 0.13 H new ATOM 0 HA GLU A 236 8.151 3.305 7.331 1.00 0.13 H new ATOM 0 HB2 GLU A 236 8.010 1.831 9.361 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.171 0.765 8.597 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.861 2.498 8.576 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.705 3.706 9.102 1.00 0.29 H new ATOM 487 N LEU A 237 9.614 2.851 5.335 1.00 0.13 N ATOM 488 CA LEU A 237 10.450 2.561 4.187 1.00 0.15 C ATOM 489 C LEU A 237 11.885 2.336 4.600 1.00 0.17 C ATOM 490 O LEU A 237 12.386 2.975 5.516 1.00 0.19 O ATOM 491 CB LEU A 237 10.393 3.674 3.144 1.00 0.17 C ATOM 492 CG LEU A 237 9.442 3.421 1.978 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.664 4.453 0.887 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.631 2.021 1.428 1.00 0.55 C ATOM 0 H LEU A 237 9.275 3.811 5.392 1.00 0.13 H new ATOM 0 HA LEU A 237 10.057 1.648 3.740 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.098 4.599 3.639 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.396 3.830 2.747 1.00 0.17 H new ATOM 0 HG LEU A 237 8.418 3.510 2.341 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.980 4.262 0.061 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.481 5.450 1.287 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.692 4.389 0.529 1.00 0.44 H new ATOM 0 HD21 LEU A 237 8.944 1.861 0.597 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.657 1.903 1.078 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.429 1.292 2.212 1.00 0.55 H new ATOM 506 N ALA A 238 12.550 1.474 3.860 1.00 0.19 N ATOM 507 CA ALA A 238 13.975 1.258 4.012 1.00 0.21 C ATOM 508 C ALA A 238 14.709 2.287 3.170 1.00 0.23 C ATOM 509 O ALA A 238 15.762 2.794 3.545 1.00 0.28 O ATOM 510 CB ALA A 238 14.326 -0.144 3.562 1.00 0.25 C ATOM 0 H ALA A 238 12.118 0.902 3.135 1.00 0.19 H new ATOM 0 HA ALA A 238 14.268 1.367 5.056 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.398 -0.305 3.677 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.783 -0.868 4.170 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.050 -0.270 2.515 1.00 0.25 H new ATOM 516 N ASP A 239 14.089 2.619 2.046 1.00 0.22 N ATOM 517 CA ASP A 239 14.609 3.626 1.125 1.00 0.25 C ATOM 518 C ASP A 239 14.442 5.027 1.687 1.00 0.25 C ATOM 519 O ASP A 239 15.291 5.893 1.479 1.00 0.34 O ATOM 520 CB ASP A 239 13.881 3.545 -0.209 1.00 0.31 C ATOM 521 CG ASP A 239 14.675 2.789 -1.258 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.049 1.624 -1.013 1.00 1.28 O ATOM 523 OD2 ASP A 239 14.940 3.368 -2.335 1.00 1.19 O ATOM 0 H ASP A 239 13.210 2.198 1.745 1.00 0.22 H new ATOM 0 HA ASP A 239 15.671 3.424 0.985 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.918 3.056 -0.065 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.676 4.553 -0.569 1.00 0.31 H new ATOM 528 N HIS A 240 13.299 5.246 2.335 1.00 0.27 N ATOM 529 CA HIS A 240 12.933 6.540 2.929 1.00 0.39 C ATOM 530 C HIS A 240 12.493 7.545 1.862 1.00 0.47 C ATOM 531 O HIS A 240 11.367 8.035 1.895 1.00 0.70 O ATOM 532 CB HIS A 240 14.081 7.143 3.757 1.00 0.46 C ATOM 533 CG HIS A 240 14.614 6.251 4.841 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.331 4.966 5.161 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.585 6.655 5.727 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 15.133 4.621 6.219 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.879 5.660 6.540 1.00 0.48 N flip ATOM 0 H HIS A 240 12.590 4.525 2.466 1.00 0.27 H new ATOM 0 HA HIS A 240 12.095 6.340 3.596 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.899 7.401 3.084 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.735 8.073 4.209 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.647 4.365 4.700 1.00 0.56 H new ATOM 0 HD2 HIS A 240 16.037 7.636 5.753 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.151 3.658 6.708 1.00 0.57 H new ATOM 546 N ASP A 241 13.367 7.817 0.899 1.00 0.41 N ATOM 547 CA ASP A 241 13.079 8.782 -0.157 1.00 0.51 C ATOM 548 C ASP A 241 12.929 8.080 -1.495 1.00 0.44 C ATOM 549 O ASP A 241 13.656 8.346 -2.452 1.00 0.78 O ATOM 550 CB ASP A 241 14.180 9.844 -0.240 1.00 0.80 C ATOM 551 CG ASP A 241 13.814 11.010 -1.145 1.00 1.53 C ATOM 552 OD1 ASP A 241 12.653 11.089 -1.596 1.00 2.22 O ATOM 553 OD2 ASP A 241 14.688 11.867 -1.403 1.00 2.08 O ATOM 0 H ASP A 241 14.286 7.380 0.828 1.00 0.41 H new ATOM 0 HA ASP A 241 12.139 9.277 0.086 1.00 0.51 H new ATOM 0 HB2 ASP A 241 14.390 10.220 0.761 1.00 0.80 H new ATOM 0 HB3 ASP A 241 15.097 9.381 -0.606 1.00 0.80 H new ATOM 558 N ALA A 242 12.019 7.138 -1.538 1.00 0.33 N ATOM 559 CA ALA A 242 11.759 6.396 -2.755 1.00 0.30 C ATOM 560 C ALA A 242 10.290 6.454 -3.122 1.00 0.24 C ATOM 561 O ALA A 242 9.422 6.294 -2.259 1.00 0.28 O ATOM 562 CB ALA A 242 12.191 4.957 -2.603 1.00 0.38 C ATOM 0 H ALA A 242 11.442 6.864 -0.743 1.00 0.33 H new ATOM 0 HA ALA A 242 12.337 6.858 -3.556 1.00 0.30 H new ATOM 0 HB1 ALA A 242 11.987 4.416 -3.527 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.259 4.918 -2.388 1.00 0.38 H new ATOM 0 HB3 ALA A 242 11.639 4.496 -1.784 1.00 0.38 H new ATOM 568 N GLU A 243 10.019 6.593 -4.407 1.00 0.26 N ATOM 569 CA GLU A 243 8.657 6.531 -4.895 1.00 0.30 C ATOM 570 C GLU A 243 8.183 5.088 -4.828 1.00 0.25 C ATOM 571 O GLU A 243 8.805 4.192 -5.401 1.00 0.25 O ATOM 572 CB GLU A 243 8.572 7.060 -6.329 1.00 0.39 C ATOM 573 CG GLU A 243 9.197 8.434 -6.504 1.00 0.67 C ATOM 574 CD GLU A 243 9.098 8.949 -7.923 1.00 1.10 C ATOM 575 OE1 GLU A 243 7.982 9.308 -8.351 1.00 1.56 O ATOM 576 OE2 GLU A 243 10.133 9.000 -8.618 1.00 1.64 O ATOM 0 H GLU A 243 10.723 6.749 -5.128 1.00 0.26 H new ATOM 0 HA GLU A 243 8.017 7.157 -4.274 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.067 6.356 -6.998 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.525 7.104 -6.631 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.707 9.139 -5.832 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.246 8.391 -6.211 1.00 0.67 H new ATOM 583 N VAL A 244 7.140 4.855 -4.056 1.00 0.24 N ATOM 584 CA VAL A 244 6.636 3.511 -3.846 1.00 0.21 C ATOM 585 C VAL A 244 5.515 3.204 -4.821 1.00 0.20 C ATOM 586 O VAL A 244 4.566 3.980 -4.946 1.00 0.23 O ATOM 587 CB VAL A 244 6.131 3.315 -2.395 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.310 3.210 -1.431 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.186 4.457 -1.994 1.00 0.27 C ATOM 0 H VAL A 244 6.623 5.582 -3.562 1.00 0.24 H new ATOM 0 HA VAL A 244 7.463 2.822 -4.018 1.00 0.21 H new ATOM 0 HB VAL A 244 5.569 2.382 -2.344 1.00 0.22 H new ATOM 0 HG11 VAL A 244 6.939 3.073 -0.416 1.00 0.24 H new ATOM 0 HG12 VAL A 244 7.932 2.359 -1.708 1.00 0.24 H new ATOM 0 HG13 VAL A 244 7.903 4.124 -1.480 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.841 4.302 -0.972 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.716 5.407 -2.058 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.329 4.473 -2.667 1.00 0.27 H new ATOM 599 N LYS A 245 5.560 2.028 -5.429 1.00 0.18 N ATOM 600 CA LYS A 245 4.446 1.593 -6.247 1.00 0.19 C ATOM 601 C LYS A 245 3.907 0.307 -5.667 1.00 0.15 C ATOM 602 O LYS A 245 4.592 -0.375 -4.916 1.00 0.16 O ATOM 603 CB LYS A 245 4.818 1.453 -7.731 1.00 0.30 C ATOM 604 CG LYS A 245 5.893 0.431 -8.038 1.00 0.89 C ATOM 605 CD LYS A 245 6.357 0.547 -9.482 1.00 1.51 C ATOM 606 CE LYS A 245 6.999 -0.738 -9.980 1.00 2.00 C ATOM 607 NZ LYS A 245 5.985 -1.743 -10.390 1.00 2.79 N ATOM 0 H LYS A 245 6.339 1.372 -5.372 1.00 0.18 H new ATOM 0 HA LYS A 245 3.669 2.357 -6.226 1.00 0.19 H new ATOM 0 HB2 LYS A 245 3.920 1.190 -8.290 1.00 0.30 H new ATOM 0 HB3 LYS A 245 5.149 2.425 -8.098 1.00 0.30 H new ATOM 0 HG2 LYS A 245 6.740 0.576 -7.367 1.00 0.89 H new ATOM 0 HG3 LYS A 245 5.509 -0.573 -7.855 1.00 0.89 H new ATOM 0 HD2 LYS A 245 5.507 0.797 -10.117 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.071 1.366 -9.568 1.00 1.51 H new ATOM 0 HE2 LYS A 245 7.650 -0.514 -10.825 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.628 -1.157 -9.195 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 6.464 -2.604 -10.723 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 5.379 -1.976 -9.578 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 5.401 -1.354 -11.157 1.00 2.79 H new ATOM 621 N TRP A 246 2.619 0.174 -5.681 1.00 0.14 N ATOM 622 CA TRP A 246 2.012 -0.847 -4.865 1.00 0.13 C ATOM 623 C TRP A 246 1.303 -1.834 -5.750 1.00 0.14 C ATOM 624 O TRP A 246 1.466 -1.790 -6.954 1.00 0.14 O ATOM 625 CB TRP A 246 1.130 -0.230 -3.769 1.00 0.14 C ATOM 626 CG TRP A 246 1.938 0.662 -2.854 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.566 1.821 -3.206 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.254 0.461 -1.462 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.233 2.344 -2.136 1.00 0.15 N ATOM 630 CE2 TRP A 246 3.064 1.540 -1.062 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.935 -0.504 -0.511 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.564 1.674 0.225 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.442 -0.360 0.773 1.00 0.15 C ATOM 634 CH2 TRP A 246 3.240 0.718 1.118 1.00 0.15 C ATOM 0 H TRP A 246 1.974 0.741 -6.232 1.00 0.14 H new ATOM 0 HA TRP A 246 2.778 -1.403 -4.324 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.327 0.347 -4.227 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.661 -1.023 -3.187 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.539 2.262 -4.191 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.775 3.208 -2.145 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.308 -1.345 -0.766 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 4.188 2.511 0.500 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.209 -1.105 1.519 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.612 0.795 2.129 1.00 0.15 H new ATOM 645 N LEU A 247 0.891 -2.922 -5.197 1.00 0.15 N ATOM 646 CA LEU A 247 0.454 -4.017 -6.020 1.00 0.14 C ATOM 647 C LEU A 247 -0.939 -4.444 -5.588 1.00 0.15 C ATOM 648 O LEU A 247 -1.179 -4.629 -4.423 1.00 0.16 O ATOM 649 CB LEU A 247 1.460 -5.163 -5.861 1.00 0.15 C ATOM 650 CG LEU A 247 2.294 -5.566 -7.082 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.537 -6.567 -7.936 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.705 -4.352 -7.900 1.00 0.17 C ATOM 0 H LEU A 247 0.844 -3.085 -4.191 1.00 0.15 H new ATOM 0 HA LEU A 247 0.407 -3.725 -7.069 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.149 -4.893 -5.061 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.912 -6.044 -5.526 1.00 0.15 H new ATOM 0 HG LEU A 247 3.207 -6.041 -6.723 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.144 -6.842 -8.799 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.320 -7.458 -7.346 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.603 -6.121 -8.277 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.295 -4.674 -8.758 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.814 -3.829 -8.248 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.301 -3.681 -7.281 1.00 0.17 H new ATOM 664 N LYS A 248 -1.811 -4.736 -6.516 1.00 0.19 N ATOM 665 CA LYS A 248 -3.053 -5.400 -6.162 1.00 0.25 C ATOM 666 C LYS A 248 -2.810 -6.877 -6.386 1.00 0.25 C ATOM 667 O LYS A 248 -1.891 -7.205 -7.131 1.00 0.21 O ATOM 668 CB LYS A 248 -4.225 -4.911 -7.021 1.00 0.34 C ATOM 669 CG LYS A 248 -5.551 -5.575 -6.677 1.00 0.77 C ATOM 670 CD LYS A 248 -6.700 -4.985 -7.473 1.00 0.95 C ATOM 671 CE LYS A 248 -8.016 -5.662 -7.126 1.00 1.57 C ATOM 672 NZ LYS A 248 -9.169 -5.007 -7.793 1.00 2.06 N ATOM 0 H LYS A 248 -1.695 -4.532 -7.509 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.326 -5.183 -5.129 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.327 -3.832 -6.902 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.997 -5.096 -8.071 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.484 -6.645 -6.874 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.750 -5.459 -5.612 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.774 -3.916 -7.272 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.501 -5.096 -8.539 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -7.974 -6.710 -7.421 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -8.161 -5.641 -6.046 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -10.052 -5.466 -7.491 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -9.195 -4.001 -7.532 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -9.069 -5.094 -8.824 1.00 2.06 H new ATOM 686 N ASN A 249 -3.428 -7.751 -5.599 1.00 0.34 N ATOM 687 CA ASN A 249 -3.079 -9.171 -5.658 1.00 0.40 C ATOM 688 C ASN A 249 -2.987 -9.642 -7.112 1.00 0.35 C ATOM 689 O ASN A 249 -3.961 -9.581 -7.862 1.00 0.35 O ATOM 690 CB ASN A 249 -4.063 -10.032 -4.836 1.00 0.61 C ATOM 691 CG ASN A 249 -5.404 -10.293 -5.507 1.00 0.75 C ATOM 692 OD1 ASN A 249 -5.530 -11.175 -6.358 1.00 1.38 O ATOM 693 ND2 ASN A 249 -6.414 -9.528 -5.129 1.00 1.19 N ATOM 0 H ASN A 249 -4.157 -7.512 -4.927 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.096 -9.298 -5.204 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.590 -10.990 -4.618 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.242 -9.540 -3.880 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -7.336 -9.658 -5.545 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.271 -8.808 -4.421 1.00 1.19 H new ATOM 700 N GLY A 250 -1.745 -9.854 -7.552 1.00 0.35 N ATOM 701 CA GLY A 250 -1.468 -10.154 -8.947 1.00 0.35 C ATOM 702 C GLY A 250 -1.298 -8.923 -9.840 1.00 0.33 C ATOM 703 O GLY A 250 -0.399 -8.894 -10.684 1.00 0.39 O ATOM 0 H GLY A 250 -0.918 -9.822 -6.956 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.561 -10.756 -9.003 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.280 -10.764 -9.342 1.00 0.35 H new ATOM 707 N GLN A 251 -2.184 -7.941 -9.720 1.00 0.30 N ATOM 708 CA GLN A 251 -2.143 -6.765 -10.596 1.00 0.36 C ATOM 709 C GLN A 251 -1.163 -5.725 -10.067 1.00 0.25 C ATOM 710 O GLN A 251 -1.194 -5.379 -8.897 1.00 0.28 O ATOM 711 CB GLN A 251 -3.525 -6.129 -10.705 1.00 0.52 C ATOM 712 CG GLN A 251 -3.650 -5.123 -11.843 1.00 1.28 C ATOM 713 CD GLN A 251 -3.650 -5.763 -13.222 1.00 2.00 C ATOM 714 OE1 GLN A 251 -3.802 -7.077 -13.274 1.00 2.77 O flip ATOM 715 NE2 GLN A 251 -3.547 -5.072 -14.237 1.00 2.59 N flip ATOM 0 H GLN A 251 -2.936 -7.931 -9.031 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.815 -7.101 -11.580 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.267 -6.915 -10.844 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.761 -5.631 -9.765 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -4.571 -4.555 -11.715 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -2.826 -4.412 -11.781 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -3.431 -4.062 -14.157 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -3.578 -5.510 -15.158 1.00 2.59 H new ATOM 724 N GLU A 252 -0.336 -5.178 -10.931 1.00 0.26 N ATOM 725 CA GLU A 252 0.624 -4.175 -10.498 1.00 0.25 C ATOM 726 C GLU A 252 -0.004 -2.791 -10.414 1.00 0.27 C ATOM 727 O GLU A 252 -0.830 -2.413 -11.247 1.00 0.32 O ATOM 728 CB GLU A 252 1.850 -4.190 -11.397 1.00 0.32 C ATOM 729 CG GLU A 252 2.638 -5.479 -11.245 1.00 0.60 C ATOM 730 CD GLU A 252 3.940 -5.474 -12.016 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.719 -4.509 -11.872 1.00 1.60 O ATOM 732 OE2 GLU A 252 4.184 -6.425 -12.786 1.00 1.49 O ATOM 0 H GLU A 252 -0.305 -5.404 -11.925 1.00 0.26 H new ATOM 0 HA GLU A 252 0.946 -4.429 -9.488 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.542 -4.072 -12.436 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.490 -3.341 -11.155 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.849 -5.646 -10.189 1.00 0.60 H new ATOM 0 HG3 GLU A 252 2.025 -6.314 -11.584 1.00 0.60 H new ATOM 739 N ILE A 253 0.282 -2.110 -9.311 1.00 0.23 N ATOM 740 CA ILE A 253 -0.325 -0.827 -9.003 1.00 0.27 C ATOM 741 C ILE A 253 0.716 0.300 -9.026 1.00 0.28 C ATOM 742 O ILE A 253 1.736 0.259 -8.326 1.00 0.28 O ATOM 743 CB ILE A 253 -1.053 -0.928 -7.638 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.499 -1.370 -7.830 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.976 0.351 -6.831 1.00 0.28 C ATOM 746 CD1 ILE A 253 -3.177 -1.742 -6.532 1.00 0.33 C ATOM 0 H ILE A 253 0.943 -2.435 -8.605 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.059 -0.576 -9.769 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.528 -1.687 -7.058 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -3.059 -0.567 -8.309 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.526 -2.225 -8.506 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.504 0.218 -5.887 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.068 0.594 -6.632 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.437 1.164 -7.392 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -4.204 -2.048 -6.733 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.638 -2.565 -6.063 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -3.179 -0.881 -5.863 1.00 0.33 H new ATOM 758 N GLN A 254 0.509 1.248 -9.917 1.00 0.36 N ATOM 759 CA GLN A 254 1.461 2.326 -10.124 1.00 0.43 C ATOM 760 C GLN A 254 1.332 3.384 -9.023 1.00 0.61 C ATOM 761 O GLN A 254 1.571 3.096 -7.849 1.00 1.42 O ATOM 762 CB GLN A 254 1.286 2.945 -11.522 1.00 0.70 C ATOM 763 CG GLN A 254 1.892 2.133 -12.668 1.00 1.00 C ATOM 764 CD GLN A 254 1.319 0.734 -12.822 1.00 1.75 C ATOM 765 OE1 GLN A 254 1.676 -0.187 -12.085 1.00 2.63 O ATOM 766 NE2 GLN A 254 0.417 0.565 -13.778 1.00 2.21 N ATOM 0 H GLN A 254 -0.316 1.296 -10.515 1.00 0.36 H new ATOM 0 HA GLN A 254 2.468 1.912 -10.068 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.221 3.077 -11.714 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.736 3.938 -11.522 1.00 0.70 H new ATOM 0 HG2 GLN A 254 1.743 2.677 -13.600 1.00 1.00 H new ATOM 0 HG3 GLN A 254 2.968 2.056 -12.512 1.00 1.00 H new ATOM 0 HE21 GLN A 254 0.146 1.351 -14.369 1.00 2.21 H new ATOM 0 HE22 GLN A 254 -0.007 -0.351 -13.923 1.00 2.21 H new ATOM 775 N MET A 255 0.994 4.611 -9.406 1.00 0.59 N ATOM 776 CA MET A 255 0.923 5.723 -8.470 1.00 0.61 C ATOM 777 C MET A 255 0.320 6.934 -9.173 1.00 0.65 C ATOM 778 O MET A 255 0.679 7.228 -10.317 1.00 0.95 O ATOM 779 CB MET A 255 2.330 6.050 -7.955 1.00 0.95 C ATOM 780 CG MET A 255 2.377 7.123 -6.881 1.00 1.58 C ATOM 781 SD MET A 255 4.060 7.437 -6.301 1.00 2.30 S ATOM 782 CE MET A 255 4.839 8.018 -7.804 1.00 2.61 C ATOM 0 H MET A 255 0.763 4.860 -10.368 1.00 0.59 H new ATOM 0 HA MET A 255 0.293 5.454 -7.622 1.00 0.61 H new ATOM 0 HB2 MET A 255 2.779 5.139 -7.559 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.945 6.369 -8.796 1.00 0.95 H new ATOM 0 HG2 MET A 255 1.952 8.047 -7.274 1.00 1.58 H new ATOM 0 HG3 MET A 255 1.755 6.819 -6.039 1.00 1.58 H new ATOM 0 HE1 MET A 255 5.611 8.746 -7.556 1.00 2.61 H new ATOM 0 HE2 MET A 255 5.290 7.176 -8.329 1.00 2.61 H new ATOM 0 HE3 MET A 255 4.091 8.486 -8.444 1.00 2.61 H new ATOM 792 N SER A 256 -0.660 7.568 -8.544 1.00 0.57 N ATOM 793 CA SER A 256 -1.370 8.672 -9.171 1.00 0.69 C ATOM 794 C SER A 256 -2.152 9.486 -8.138 1.00 1.00 C ATOM 795 O SER A 256 -1.784 9.543 -6.963 1.00 1.47 O ATOM 796 CB SER A 256 -2.332 8.123 -10.232 1.00 0.76 C ATOM 797 OG SER A 256 -2.793 9.147 -11.100 1.00 1.64 O ATOM 0 H SER A 256 -0.980 7.337 -7.603 1.00 0.57 H new ATOM 0 HA SER A 256 -0.638 9.331 -9.638 1.00 0.69 H new ATOM 0 HB2 SER A 256 -1.830 7.351 -10.814 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.183 7.650 -9.742 1.00 0.76 H new ATOM 0 HG SER A 256 -3.402 8.763 -11.765 1.00 1.64 H new ATOM 803 N GLY A 257 -3.251 10.080 -8.590 1.00 1.01 N ATOM 804 CA GLY A 257 -4.122 10.836 -7.721 1.00 1.41 C ATOM 805 C GLY A 257 -5.417 10.100 -7.467 1.00 1.28 C ATOM 806 O GLY A 257 -5.873 9.339 -8.324 1.00 1.69 O ATOM 0 H GLY A 257 -3.555 10.047 -9.563 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.618 11.027 -6.774 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.335 11.806 -8.170 1.00 1.41 H new ATOM 810 N SER A 258 -5.963 10.276 -6.267 1.00 1.07 N ATOM 811 CA SER A 258 -7.167 9.573 -5.823 1.00 0.96 C ATOM 812 C SER A 258 -6.860 8.092 -5.574 1.00 0.74 C ATOM 813 O SER A 258 -6.765 7.659 -4.429 1.00 1.14 O ATOM 814 CB SER A 258 -8.315 9.733 -6.833 1.00 1.08 C ATOM 815 OG SER A 258 -9.551 9.295 -6.291 1.00 1.77 O ATOM 0 H SER A 258 -5.581 10.914 -5.569 1.00 1.07 H new ATOM 0 HA SER A 258 -7.492 10.022 -4.884 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.397 10.779 -7.129 1.00 1.08 H new ATOM 0 HB3 SER A 258 -8.090 9.163 -7.734 1.00 1.08 H new ATOM 0 HG SER A 258 -10.247 9.957 -6.485 1.00 1.77 H new ATOM 821 N LYS A 259 -6.524 7.359 -6.618 1.00 0.51 N ATOM 822 CA LYS A 259 -6.084 5.989 -6.446 1.00 0.37 C ATOM 823 C LYS A 259 -4.568 5.930 -6.415 1.00 0.33 C ATOM 824 O LYS A 259 -3.909 6.581 -7.226 1.00 0.45 O ATOM 825 CB LYS A 259 -6.601 5.084 -7.569 1.00 0.48 C ATOM 826 CG LYS A 259 -8.114 5.033 -7.709 1.00 1.11 C ATOM 827 CD LYS A 259 -8.617 6.051 -8.717 1.00 1.59 C ATOM 828 CE LYS A 259 -10.043 5.745 -9.148 1.00 2.02 C ATOM 829 NZ LYS A 259 -10.152 4.418 -9.820 1.00 2.41 N ATOM 0 H LYS A 259 -6.547 7.685 -7.584 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.491 5.630 -5.501 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.175 5.423 -8.513 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.233 4.072 -7.398 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.418 4.033 -8.019 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.576 5.221 -6.740 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -8.573 7.049 -8.282 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -7.964 6.055 -9.590 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -10.697 5.765 -8.276 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -10.392 6.524 -9.826 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -10.997 4.404 -10.426 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -9.306 4.253 -10.401 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -10.230 3.670 -9.101 1.00 2.41 H new ATOM 843 N TYR A 260 -4.026 5.082 -5.538 1.00 0.24 N ATOM 844 CA TYR A 260 -2.583 4.849 -5.476 1.00 0.27 C ATOM 845 C TYR A 260 -1.833 6.168 -5.275 1.00 0.27 C ATOM 846 O TYR A 260 -0.923 6.511 -6.027 1.00 0.29 O ATOM 847 CB TYR A 260 -2.087 4.133 -6.745 1.00 0.33 C ATOM 848 CG TYR A 260 -3.128 3.242 -7.398 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.758 2.225 -6.688 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.504 3.450 -8.719 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.722 1.434 -7.283 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.473 2.668 -9.318 1.00 1.11 C ATOM 853 CZ TYR A 260 -5.079 1.663 -8.596 1.00 0.95 C ATOM 854 OH TYR A 260 -6.049 0.884 -9.185 1.00 1.24 O ATOM 0 H TYR A 260 -4.567 4.545 -4.860 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.381 4.203 -4.621 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.759 4.881 -7.467 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.215 3.530 -6.492 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.490 2.051 -5.656 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -3.031 4.237 -9.288 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.194 0.640 -6.723 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.754 2.843 -10.346 1.00 1.11 H new ATOM 0 HH TYR A 260 -6.184 1.174 -10.111 1.00 1.24 H new ATOM 864 N ILE A 261 -2.242 6.896 -4.255 1.00 0.26 N ATOM 865 CA ILE A 261 -1.644 8.173 -3.906 1.00 0.27 C ATOM 866 C ILE A 261 -0.404 7.957 -3.045 1.00 0.28 C ATOM 867 O ILE A 261 -0.452 7.213 -2.072 1.00 0.35 O ATOM 868 CB ILE A 261 -2.638 9.028 -3.097 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.011 9.088 -3.770 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.091 10.423 -2.896 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.027 9.882 -2.973 1.00 0.39 C ATOM 0 H ILE A 261 -3.005 6.617 -3.639 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.378 8.681 -4.833 1.00 0.27 H new ATOM 0 HB ILE A 261 -2.766 8.552 -2.125 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.905 9.533 -4.759 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.383 8.074 -3.915 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.805 11.015 -2.323 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.147 10.369 -2.354 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.927 10.893 -3.866 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.980 9.888 -3.502 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.159 9.424 -1.993 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.674 10.906 -2.851 1.00 0.39 H new ATOM 883 N PHE A 262 0.684 8.647 -3.339 1.00 0.30 N ATOM 884 CA PHE A 262 1.869 8.524 -2.502 1.00 0.32 C ATOM 885 C PHE A 262 1.834 9.539 -1.361 1.00 0.30 C ATOM 886 O PHE A 262 1.492 10.709 -1.561 1.00 0.37 O ATOM 887 CB PHE A 262 3.161 8.663 -3.327 1.00 0.46 C ATOM 888 CG PHE A 262 3.484 10.055 -3.806 1.00 0.63 C ATOM 889 CD1 PHE A 262 4.129 10.953 -2.974 1.00 0.87 C ATOM 890 CD2 PHE A 262 3.105 10.474 -5.072 1.00 0.84 C ATOM 891 CE1 PHE A 262 4.399 12.239 -3.397 1.00 1.13 C ATOM 892 CE2 PHE A 262 3.377 11.756 -5.501 1.00 1.09 C ATOM 893 CZ PHE A 262 4.133 12.598 -4.715 1.00 1.18 C ATOM 0 H PHE A 262 0.774 9.284 -4.130 1.00 0.30 H new ATOM 0 HA PHE A 262 1.866 7.524 -2.068 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.995 8.303 -2.725 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.088 8.008 -4.195 1.00 0.46 H new ATOM 0 HD1 PHE A 262 4.425 10.644 -1.982 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.591 9.789 -5.730 1.00 0.84 H new ATOM 0 HE1 PHE A 262 4.814 12.962 -2.710 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.998 12.100 -6.452 1.00 1.09 H new ATOM 0 HZ PHE A 262 4.514 13.525 -5.117 1.00 1.18 H new ATOM 903 N GLU A 263 2.185 9.087 -0.165 1.00 0.26 N ATOM 904 CA GLU A 263 2.252 9.961 0.996 1.00 0.30 C ATOM 905 C GLU A 263 3.406 9.524 1.890 1.00 0.28 C ATOM 906 O GLU A 263 3.719 8.335 1.965 1.00 0.33 O ATOM 907 CB GLU A 263 0.933 9.946 1.772 1.00 0.37 C ATOM 908 CG GLU A 263 0.854 11.024 2.844 1.00 0.56 C ATOM 909 CD GLU A 263 -0.504 11.109 3.506 1.00 1.07 C ATOM 910 OE1 GLU A 263 -1.361 10.237 3.252 1.00 1.79 O ATOM 911 OE2 GLU A 263 -0.725 12.058 4.288 1.00 1.73 O ATOM 0 H GLU A 263 2.429 8.115 0.026 1.00 0.26 H new ATOM 0 HA GLU A 263 2.424 10.983 0.659 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.107 10.077 1.073 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.805 8.969 2.238 1.00 0.37 H new ATOM 0 HG2 GLU A 263 1.610 10.827 3.604 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.094 11.989 2.398 1.00 0.56 H new ATOM 918 N SER A 264 4.139 10.488 2.419 1.00 0.34 N ATOM 919 CA SER A 264 5.345 10.190 3.172 1.00 0.36 C ATOM 920 C SER A 264 5.273 10.781 4.575 1.00 0.34 C ATOM 921 O SER A 264 5.069 11.983 4.745 1.00 0.39 O ATOM 922 CB SER A 264 6.568 10.746 2.434 1.00 0.46 C ATOM 923 OG SER A 264 7.783 10.240 2.969 1.00 1.41 O ATOM 0 H SER A 264 3.921 11.481 2.342 1.00 0.34 H new ATOM 0 HA SER A 264 5.435 9.107 3.262 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.502 10.490 1.377 1.00 0.46 H new ATOM 0 HB3 SER A 264 6.568 11.834 2.499 1.00 0.46 H new ATOM 0 HG SER A 264 8.540 10.615 2.473 1.00 1.41 H new ATOM 929 N ILE A 265 5.564 9.950 5.561 1.00 0.31 N ATOM 930 CA ILE A 265 5.690 10.402 6.939 1.00 0.34 C ATOM 931 C ILE A 265 7.091 10.069 7.432 1.00 0.38 C ATOM 932 O ILE A 265 7.380 8.918 7.771 1.00 0.42 O ATOM 933 CB ILE A 265 4.648 9.733 7.863 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.230 9.980 7.337 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.787 10.253 9.290 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.154 9.253 8.118 1.00 1.31 C ATOM 0 H ILE A 265 5.719 8.950 5.432 1.00 0.31 H new ATOM 0 HA ILE A 265 5.512 11.477 6.967 1.00 0.34 H new ATOM 0 HB ILE A 265 4.832 8.659 7.869 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.024 11.050 7.362 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.180 9.670 6.293 1.00 0.82 H new ATOM 0 HG21 ILE A 265 4.045 9.771 9.927 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.786 10.029 9.663 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.629 11.331 9.301 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.178 9.476 7.687 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.334 8.179 8.072 1.00 1.31 H new ATOM 0 HD13 ILE A 265 2.175 9.580 9.158 1.00 1.31 H new ATOM 948 N GLY A 266 7.998 11.027 7.292 1.00 0.48 N ATOM 949 CA GLY A 266 9.395 10.741 7.534 1.00 0.65 C ATOM 950 C GLY A 266 9.900 9.718 6.544 1.00 0.86 C ATOM 951 O GLY A 266 9.658 9.847 5.342 1.00 1.93 O ATOM 0 H GLY A 266 7.793 11.988 7.018 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.980 11.657 7.451 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.526 10.369 8.550 1.00 0.65 H new ATOM 955 N ALA A 267 10.438 8.624 7.053 1.00 0.48 N ATOM 956 CA ALA A 267 10.783 7.495 6.208 1.00 0.39 C ATOM 957 C ALA A 267 9.547 6.687 5.875 1.00 0.30 C ATOM 958 O ALA A 267 9.522 5.955 4.888 1.00 0.32 O ATOM 959 CB ALA A 267 11.785 6.587 6.879 1.00 0.44 C ATOM 0 H ALA A 267 10.645 8.494 8.043 1.00 0.48 H new ATOM 0 HA ALA A 267 11.224 7.899 5.297 1.00 0.39 H new ATOM 0 HB1 ALA A 267 12.020 5.753 6.218 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.695 7.146 7.095 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.364 6.205 7.809 1.00 0.44 H new ATOM 965 N LYS A 268 8.579 6.709 6.780 1.00 0.26 N ATOM 966 CA LYS A 268 7.401 5.886 6.629 1.00 0.25 C ATOM 967 C LYS A 268 6.623 6.303 5.398 1.00 0.29 C ATOM 968 O LYS A 268 6.171 7.440 5.276 1.00 0.47 O ATOM 969 CB LYS A 268 6.528 5.954 7.879 1.00 0.28 C ATOM 970 CG LYS A 268 7.171 5.307 9.094 1.00 0.30 C ATOM 971 CD LYS A 268 6.271 5.415 10.314 1.00 0.41 C ATOM 972 CE LYS A 268 6.884 4.742 11.529 1.00 1.20 C ATOM 973 NZ LYS A 268 6.008 4.854 12.722 1.00 2.00 N ATOM 0 H LYS A 268 8.591 7.287 7.621 1.00 0.26 H new ATOM 0 HA LYS A 268 7.716 4.850 6.500 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.308 6.998 8.105 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.575 5.464 7.676 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.379 4.258 8.884 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.128 5.786 9.301 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.085 6.466 10.536 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.305 4.959 10.095 1.00 0.41 H new ATOM 0 HE2 LYS A 268 7.065 3.690 11.309 1.00 1.20 H new ATOM 0 HE3 LYS A 268 7.852 5.194 11.745 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.461 4.383 13.531 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 5.855 5.858 12.947 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 5.093 4.400 12.525 1.00 2.00 H new ATOM 987 N ARG A 269 6.528 5.388 4.465 1.00 0.16 N ATOM 988 CA ARG A 269 5.861 5.645 3.220 1.00 0.16 C ATOM 989 C ARG A 269 4.449 5.100 3.250 1.00 0.18 C ATOM 990 O ARG A 269 4.164 4.125 3.934 1.00 0.17 O ATOM 991 CB ARG A 269 6.639 5.048 2.059 1.00 0.20 C ATOM 992 CG ARG A 269 6.130 5.504 0.721 1.00 0.53 C ATOM 993 CD ARG A 269 6.270 7.010 0.545 1.00 0.79 C ATOM 994 NE ARG A 269 7.653 7.467 0.684 1.00 0.69 N ATOM 995 CZ ARG A 269 8.115 8.606 0.160 1.00 0.97 C ATOM 996 NH1 ARG A 269 7.354 9.311 -0.669 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.337 9.032 0.449 1.00 1.17 N ATOM 0 H ARG A 269 6.911 4.447 4.550 1.00 0.16 H new ATOM 0 HA ARG A 269 5.810 6.724 3.077 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.690 5.319 2.154 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.584 3.961 2.112 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.679 4.993 -0.070 1.00 0.53 H new ATOM 0 HG3 ARG A 269 5.083 5.222 0.615 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.895 7.294 -0.438 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.648 7.518 1.282 1.00 0.79 H new ATOM 0 HE ARG A 269 8.302 6.883 1.211 1.00 0.69 H new ATOM 0 HH11 ARG A 269 6.418 8.983 -0.905 1.00 1.85 H new ATOM 0 HH12 ARG A 269 7.706 10.181 -1.069 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.932 8.489 1.075 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.682 9.903 0.045 1.00 1.17 H new ATOM 1011 N THR A 270 3.542 5.821 2.632 1.00 0.18 N ATOM 1012 CA THR A 270 2.151 5.449 2.659 1.00 0.18 C ATOM 1013 C THR A 270 1.520 5.558 1.278 1.00 0.19 C ATOM 1014 O THR A 270 1.654 6.581 0.595 1.00 0.22 O ATOM 1015 CB THR A 270 1.381 6.332 3.654 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.905 6.150 4.977 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.095 6.005 3.643 1.00 0.24 C ATOM 0 H THR A 270 3.746 6.670 2.104 1.00 0.18 H new ATOM 0 HA THR A 270 2.093 4.409 2.979 1.00 0.18 H new ATOM 0 HB THR A 270 1.506 7.372 3.351 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.294 5.586 5.496 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.615 6.645 4.356 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.498 6.173 2.644 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.238 4.961 3.921 1.00 0.24 H new ATOM 1025 N LEU A 271 0.799 4.514 0.898 1.00 0.17 N ATOM 1026 CA LEU A 271 0.049 4.513 -0.341 1.00 0.17 C ATOM 1027 C LEU A 271 -1.415 4.807 -0.041 1.00 0.16 C ATOM 1028 O LEU A 271 -2.157 3.923 0.368 1.00 0.17 O ATOM 1029 CB LEU A 271 0.183 3.152 -1.034 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.318 3.056 -2.487 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.826 2.855 -2.552 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.105 4.283 -3.277 1.00 0.49 C ATOM 0 H LEU A 271 0.720 3.652 1.437 1.00 0.17 H new ATOM 0 HA LEU A 271 0.443 5.282 -1.006 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.235 2.866 -1.019 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.357 2.415 -0.440 1.00 0.20 H new ATOM 0 HG LEU A 271 0.142 2.178 -2.940 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.140 2.792 -3.594 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.093 1.932 -2.036 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.326 3.696 -2.072 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.257 4.199 -4.302 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.316 5.176 -2.815 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.193 4.356 -3.282 1.00 0.49 H new ATOM 1044 N THR A 272 -1.840 6.029 -0.264 1.00 0.18 N ATOM 1045 CA THR A 272 -3.222 6.388 -0.034 1.00 0.21 C ATOM 1046 C THR A 272 -4.080 5.914 -1.201 1.00 0.22 C ATOM 1047 O THR A 272 -3.789 6.201 -2.352 1.00 0.29 O ATOM 1048 CB THR A 272 -3.372 7.906 0.151 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.300 8.400 0.971 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.704 8.235 0.800 1.00 0.30 C ATOM 0 H THR A 272 -1.252 6.790 -0.603 1.00 0.18 H new ATOM 0 HA THR A 272 -3.558 5.900 0.881 1.00 0.21 H new ATOM 0 HB THR A 272 -3.334 8.383 -0.828 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.396 9.368 1.087 1.00 0.33 H new ATOM 0 HG21 THR A 272 -4.792 9.314 0.923 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.516 7.874 0.168 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.762 7.753 1.776 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.082 5.116 -0.920 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.901 4.557 -1.976 1.00 0.26 C ATOM 1060 C ILE A 273 -7.359 4.973 -1.793 1.00 0.28 C ATOM 1061 O ILE A 273 -7.950 4.799 -0.716 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.738 3.005 -2.062 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.523 2.565 -3.517 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -6.919 2.257 -1.464 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.712 2.812 -4.423 1.00 0.86 C ATOM 0 H ILE A 273 -5.351 4.839 0.024 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.559 4.959 -2.930 1.00 0.26 H new ATOM 0 HB ILE A 273 -4.859 2.751 -1.470 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.658 3.092 -3.920 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.284 1.502 -3.532 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -6.752 1.183 -1.551 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.024 2.524 -0.412 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.829 2.527 -1.999 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.477 2.473 -5.432 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.576 2.263 -4.048 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.940 3.878 -4.442 1.00 0.86 H new ATOM 1077 N SER A 274 -7.894 5.620 -2.816 1.00 0.33 N ATOM 1078 CA SER A 274 -9.256 6.103 -2.785 1.00 0.39 C ATOM 1079 C SER A 274 -10.096 5.306 -3.767 1.00 0.45 C ATOM 1080 O SER A 274 -9.558 4.746 -4.725 1.00 0.50 O ATOM 1081 CB SER A 274 -9.321 7.597 -3.114 1.00 0.52 C ATOM 1082 OG SER A 274 -10.618 8.126 -2.889 1.00 1.13 O ATOM 0 H SER A 274 -7.397 5.822 -3.683 1.00 0.33 H new ATOM 0 HA SER A 274 -9.651 5.970 -1.778 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.597 8.136 -2.504 1.00 0.52 H new ATOM 0 HB3 SER A 274 -9.039 7.753 -4.155 1.00 0.52 H new ATOM 0 HG SER A 274 -10.624 9.081 -3.107 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.398 5.207 -3.493 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.305 4.424 -4.321 1.00 0.62 C ATOM 1090 C GLN A 275 -11.852 2.971 -4.313 1.00 0.62 C ATOM 1091 O GLN A 275 -11.420 2.429 -5.330 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.360 4.983 -5.751 1.00 0.75 C ATOM 1093 CG GLN A 275 -12.760 6.452 -5.801 1.00 0.90 C ATOM 1094 CD GLN A 275 -12.754 7.030 -7.203 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -13.505 6.591 -8.076 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -11.904 8.017 -7.434 1.00 2.27 N ATOM 0 H GLN A 275 -11.846 5.664 -2.699 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.314 4.485 -3.914 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.384 4.862 -6.220 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.070 4.399 -6.337 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -13.757 6.564 -5.374 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.078 7.028 -5.175 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -11.298 8.354 -6.686 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -11.855 8.441 -8.360 1.00 2.27 H new ATOM 1105 N CYS A 276 -11.832 2.399 -3.117 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.307 1.064 -2.906 1.00 0.69 C ATOM 1107 C CYS A 276 -11.997 0.506 -1.690 1.00 0.75 C ATOM 1108 O CYS A 276 -11.396 0.297 -0.638 1.00 1.27 O ATOM 1109 CB CYS A 276 -9.789 1.117 -2.717 1.00 0.80 C ATOM 1110 SG CYS A 276 -8.976 -0.493 -2.595 1.00 2.00 S ATOM 0 H CYS A 276 -12.179 2.849 -2.270 1.00 0.60 H new ATOM 0 HA CYS A 276 -11.495 0.423 -3.767 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.353 1.665 -3.553 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.570 1.687 -1.814 1.00 0.80 H new ATOM 0 HG CYS A 276 -8.277 -0.709 -3.670 1.00 2.00 H new ATOM 1116 N SER A 277 -13.305 0.526 -1.783 1.00 0.54 N ATOM 1117 CA SER A 277 -14.147 0.218 -0.669 1.00 0.52 C ATOM 1118 C SER A 277 -14.636 -1.229 -0.749 1.00 0.48 C ATOM 1119 O SER A 277 -13.827 -2.147 -0.896 1.00 0.47 O ATOM 1120 CB SER A 277 -15.302 1.210 -0.633 1.00 0.56 C ATOM 1121 OG SER A 277 -15.828 1.428 -1.931 1.00 0.63 O ATOM 0 H SER A 277 -13.810 0.758 -2.639 1.00 0.54 H new ATOM 0 HA SER A 277 -13.584 0.309 0.260 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.088 0.835 0.023 1.00 0.56 H new ATOM 0 HB3 SER A 277 -14.960 2.156 -0.212 1.00 0.56 H new ATOM 0 HG SER A 277 -16.569 2.067 -1.881 1.00 0.63 H new ATOM 1127 N LEU A 278 -15.953 -1.432 -0.655 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.540 -2.770 -0.664 1.00 0.54 C ATOM 1129 C LEU A 278 -16.506 -3.403 -2.057 1.00 0.58 C ATOM 1130 O LEU A 278 -17.533 -3.852 -2.571 1.00 0.71 O ATOM 1131 CB LEU A 278 -17.990 -2.727 -0.159 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.180 -2.860 1.357 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.721 -4.228 1.837 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.438 -1.758 2.095 1.00 0.79 C ATOM 0 H LEU A 278 -16.636 -0.679 -0.571 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.937 -3.385 0.004 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.437 -1.786 -0.480 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.547 -3.527 -0.646 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.243 -2.758 1.575 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.864 -4.302 2.915 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.304 -5.003 1.339 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.665 -4.361 1.601 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.588 -1.874 3.168 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.374 -1.821 1.869 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.819 -0.787 1.778 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.327 -3.455 -2.656 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.163 -4.037 -3.980 1.00 0.61 C ATOM 1148 C ALA A 279 -13.742 -4.551 -4.171 1.00 0.58 C ATOM 1149 O ALA A 279 -13.530 -5.657 -4.674 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.507 -3.018 -5.057 1.00 0.71 C ATOM 0 H ALA A 279 -14.464 -3.099 -2.244 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.848 -4.880 -4.068 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.379 -3.470 -6.040 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.542 -2.697 -4.937 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -14.847 -2.155 -4.966 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.766 -3.752 -3.757 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.367 -4.148 -3.874 1.00 0.59 C ATOM 1158 C ASP A 280 -10.886 -4.861 -2.616 1.00 0.50 C ATOM 1159 O ASP A 280 -9.692 -5.127 -2.464 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.475 -2.947 -4.181 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.284 -2.737 -5.669 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -11.279 -2.443 -6.365 1.00 1.84 O ATOM 1163 OD2 ASP A 280 -9.137 -2.835 -6.152 1.00 1.77 O ATOM 0 H ASP A 280 -12.915 -2.833 -3.340 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.297 -4.846 -4.708 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -10.914 -2.050 -3.743 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.503 -3.089 -3.709 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.845 -5.274 -1.789 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.575 -6.104 -0.618 1.00 0.33 C ATOM 1170 C ASP A 281 -10.885 -7.393 -1.061 1.00 0.34 C ATOM 1171 O ASP A 281 -11.513 -8.257 -1.680 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.896 -6.439 0.088 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.714 -7.211 1.384 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -12.478 -6.579 2.434 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -12.821 -8.458 1.358 1.00 0.81 O ATOM 0 H ASP A 281 -12.831 -5.042 -1.913 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.926 -5.565 0.072 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.431 -5.513 0.299 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.522 -7.022 -0.588 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.573 -7.453 -0.866 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.765 -8.554 -1.379 1.00 0.37 C ATOM 1182 C ALA A 282 -7.355 -8.497 -0.799 1.00 0.35 C ATOM 1183 O ALA A 282 -7.159 -8.763 0.381 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.718 -8.516 -2.903 1.00 0.48 C ATOM 0 H ALA A 282 -9.043 -6.748 -0.353 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.226 -9.493 -1.072 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -8.111 -9.344 -3.269 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.729 -8.604 -3.300 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.280 -7.573 -3.230 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.377 -8.121 -1.625 1.00 0.22 N ATOM 1191 CA ALA A 283 -5.003 -7.972 -1.161 1.00 0.17 C ATOM 1192 C ALA A 283 -4.259 -6.919 -1.975 1.00 0.15 C ATOM 1193 O ALA A 283 -4.258 -6.972 -3.211 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.273 -9.306 -1.222 1.00 0.22 C ATOM 0 H ALA A 283 -6.513 -7.915 -2.615 1.00 0.22 H new ATOM 0 HA ALA A 283 -5.032 -7.637 -0.124 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.249 -9.177 -0.872 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.784 -10.030 -0.588 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.262 -9.668 -2.250 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.520 -6.052 -1.287 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.628 -5.114 -1.963 1.00 0.13 C ATOM 1202 C TYR A 284 -1.189 -5.342 -1.487 1.00 0.14 C ATOM 1203 O TYR A 284 -0.843 -5.029 -0.354 1.00 0.16 O ATOM 1204 CB TYR A 284 -3.020 -3.629 -1.734 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.133 -3.085 -2.630 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.115 -3.941 -3.153 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.206 -1.737 -2.965 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.118 -3.461 -3.968 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.213 -1.257 -3.785 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.162 -2.061 -4.246 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.166 -1.659 -5.100 1.00 0.41 O ATOM 0 H TYR A 284 -3.521 -5.979 -0.270 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.716 -5.306 -3.032 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.327 -3.511 -0.695 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.132 -3.013 -1.876 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -5.084 -4.994 -2.913 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.465 -1.053 -2.579 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.855 -4.130 -4.387 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.226 -0.211 -4.054 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.568 -2.445 -5.525 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.327 -5.753 -2.403 1.00 0.13 N ATOM 1222 CA GLN A 285 1.084 -5.853 -2.128 1.00 0.13 C ATOM 1223 C GLN A 285 1.726 -4.477 -2.220 1.00 0.12 C ATOM 1224 O GLN A 285 1.102 -3.502 -2.641 1.00 0.13 O ATOM 1225 CB GLN A 285 1.796 -6.801 -3.099 1.00 0.12 C ATOM 1226 CG GLN A 285 1.234 -8.209 -3.147 1.00 0.15 C ATOM 1227 CD GLN A 285 0.156 -8.399 -4.191 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.097 -7.374 -4.992 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.433 -9.473 -4.294 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.591 -6.024 -3.350 1.00 0.13 H new ATOM 0 HA GLN A 285 1.189 -6.257 -1.121 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.750 -6.373 -4.100 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.849 -6.855 -2.824 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.046 -8.908 -3.345 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.827 -8.462 -2.168 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.211 -10.239 -3.659 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.144 -9.598 -5.015 1.00 0.18 H new ATOM 1238 N CYS A 286 2.921 -4.401 -1.705 1.00 0.14 N ATOM 1239 CA CYS A 286 3.634 -3.160 -1.543 1.00 0.19 C ATOM 1240 C CYS A 286 4.974 -3.245 -2.236 1.00 0.19 C ATOM 1241 O CYS A 286 5.610 -4.285 -2.152 1.00 0.20 O ATOM 1242 CB CYS A 286 3.870 -2.997 -0.078 1.00 0.28 C ATOM 1243 SG CYS A 286 2.541 -3.646 0.973 1.00 1.00 S ATOM 0 H CYS A 286 3.440 -5.216 -1.378 1.00 0.14 H new ATOM 0 HA CYS A 286 3.069 -2.329 -1.965 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.802 -3.497 0.185 1.00 0.28 H new ATOM 0 HB3 CYS A 286 4.004 -1.938 0.140 1.00 0.28 H new ATOM 0 HG CYS A 286 2.450 -4.933 0.812 1.00 1.00 H new ATOM 1249 N VAL A 287 5.338 -2.275 -3.073 1.00 0.20 N ATOM 1250 CA VAL A 287 6.483 -2.526 -3.930 1.00 0.21 C ATOM 1251 C VAL A 287 7.406 -1.314 -4.165 1.00 0.22 C ATOM 1252 O VAL A 287 6.987 -0.173 -4.420 1.00 0.24 O ATOM 1253 CB VAL A 287 6.004 -3.180 -5.258 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.496 -3.411 -5.194 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.390 -2.374 -6.484 1.00 0.27 C ATOM 0 H VAL A 287 4.887 -1.365 -3.172 1.00 0.20 H new ATOM 0 HA VAL A 287 7.126 -3.223 -3.392 1.00 0.21 H new ATOM 0 HB VAL A 287 6.513 -4.138 -5.363 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.158 -3.869 -6.124 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.264 -4.072 -4.359 1.00 0.18 H new ATOM 0 HG13 VAL A 287 3.987 -2.457 -5.054 1.00 0.18 H new ATOM 0 HG21 VAL A 287 6.029 -2.879 -7.380 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.943 -1.382 -6.422 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.475 -2.281 -6.532 1.00 0.27 H new ATOM 1265 N VAL A 288 8.695 -1.608 -4.089 1.00 0.24 N ATOM 1266 CA VAL A 288 9.747 -0.640 -4.343 1.00 0.26 C ATOM 1267 C VAL A 288 10.801 -1.285 -5.227 1.00 0.33 C ATOM 1268 O VAL A 288 11.332 -2.349 -4.896 1.00 0.37 O ATOM 1269 CB VAL A 288 10.417 -0.149 -3.040 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.643 0.695 -3.349 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.439 0.637 -2.185 1.00 0.36 C ATOM 0 H VAL A 288 9.042 -2.536 -3.846 1.00 0.24 H new ATOM 0 HA VAL A 288 9.297 0.225 -4.831 1.00 0.26 H new ATOM 0 HB VAL A 288 10.733 -1.028 -2.478 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.099 1.030 -2.417 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.362 0.100 -3.911 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.348 1.562 -3.941 1.00 0.31 H new ATOM 0 HG21 VAL A 288 9.938 0.970 -1.275 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.084 1.504 -2.742 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.592 0.002 -1.923 1.00 0.36 H new ATOM 1281 N GLY A 289 11.034 -0.690 -6.386 1.00 0.43 N ATOM 1282 CA GLY A 289 11.951 -1.274 -7.342 1.00 0.57 C ATOM 1283 C GLY A 289 11.441 -2.598 -7.872 1.00 0.73 C ATOM 1284 O GLY A 289 12.198 -3.557 -8.005 1.00 1.51 O ATOM 0 H GLY A 289 10.605 0.187 -6.682 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.100 -0.583 -8.172 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.923 -1.421 -6.871 1.00 0.57 H new ATOM 1288 N GLY A 290 10.140 -2.658 -8.142 1.00 0.41 N ATOM 1289 CA GLY A 290 9.529 -3.877 -8.640 1.00 0.41 C ATOM 1290 C GLY A 290 9.200 -4.873 -7.540 1.00 0.37 C ATOM 1291 O GLY A 290 8.237 -5.635 -7.651 1.00 0.64 O ATOM 0 H GLY A 290 9.494 -1.877 -8.023 1.00 0.41 H new ATOM 0 HA2 GLY A 290 8.615 -3.624 -9.178 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.202 -4.347 -9.357 1.00 0.41 H new ATOM 1295 N GLU A 291 10.030 -4.908 -6.507 1.00 0.27 N ATOM 1296 CA GLU A 291 9.867 -5.853 -5.410 1.00 0.22 C ATOM 1297 C GLU A 291 8.571 -5.600 -4.636 1.00 0.16 C ATOM 1298 O GLU A 291 8.388 -4.521 -4.089 1.00 0.19 O ATOM 1299 CB GLU A 291 11.071 -5.728 -4.479 1.00 0.26 C ATOM 1300 CG GLU A 291 12.338 -6.324 -5.060 1.00 0.53 C ATOM 1301 CD GLU A 291 12.247 -7.822 -5.278 1.00 1.48 C ATOM 1302 OE1 GLU A 291 11.198 -8.423 -4.960 1.00 2.19 O ATOM 1303 OE2 GLU A 291 13.231 -8.411 -5.768 1.00 2.11 O ATOM 0 H GLU A 291 10.832 -4.286 -6.405 1.00 0.27 H new ATOM 0 HA GLU A 291 9.807 -6.862 -5.818 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.242 -4.675 -4.255 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.845 -6.222 -3.534 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.558 -5.838 -6.010 1.00 0.53 H new ATOM 0 HG3 GLU A 291 13.172 -6.110 -4.392 1.00 0.53 H new ATOM 1310 N LYS A 292 7.715 -6.624 -4.527 1.00 0.18 N ATOM 1311 CA LYS A 292 6.442 -6.505 -3.803 1.00 0.16 C ATOM 1312 C LYS A 292 6.415 -7.338 -2.515 1.00 0.17 C ATOM 1313 O LYS A 292 6.934 -8.450 -2.469 1.00 0.29 O ATOM 1314 CB LYS A 292 5.265 -6.886 -4.703 1.00 0.18 C ATOM 1315 CG LYS A 292 5.402 -8.221 -5.404 1.00 0.23 C ATOM 1316 CD LYS A 292 4.204 -8.479 -6.298 1.00 0.29 C ATOM 1317 CE LYS A 292 4.400 -9.706 -7.173 1.00 0.49 C ATOM 1318 NZ LYS A 292 5.546 -9.547 -8.104 1.00 1.33 N ATOM 0 H LYS A 292 7.881 -7.546 -4.931 1.00 0.18 H new ATOM 0 HA LYS A 292 6.347 -5.458 -3.514 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.356 -6.900 -4.101 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.136 -6.109 -5.456 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.316 -8.234 -5.998 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.490 -9.018 -4.666 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.314 -8.611 -5.682 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.028 -7.608 -6.929 1.00 0.29 H new ATOM 0 HE2 LYS A 292 4.564 -10.579 -6.542 1.00 0.49 H new ATOM 0 HE3 LYS A 292 3.491 -9.892 -7.745 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 5.468 -10.243 -8.873 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 5.538 -8.587 -8.504 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 6.436 -9.700 -7.588 1.00 1.33 H new ATOM 1332 N CYS A 293 5.713 -6.813 -1.513 1.00 0.16 N ATOM 1333 CA CYS A 293 5.457 -7.499 -0.243 1.00 0.18 C ATOM 1334 C CYS A 293 3.957 -7.490 -0.029 1.00 0.15 C ATOM 1335 O CYS A 293 3.329 -6.464 -0.245 1.00 0.14 O ATOM 1336 CB CYS A 293 6.147 -6.780 0.931 1.00 0.28 C ATOM 1337 SG CYS A 293 6.247 -4.987 0.738 1.00 1.55 S ATOM 0 H CYS A 293 5.298 -5.883 -1.559 1.00 0.16 H new ATOM 0 HA CYS A 293 5.853 -8.514 -0.283 1.00 0.18 H new ATOM 0 HB2 CYS A 293 5.607 -7.007 1.850 1.00 0.28 H new ATOM 0 HB3 CYS A 293 7.155 -7.179 1.047 1.00 0.28 H new ATOM 0 HG CYS A 293 6.168 -4.681 -0.523 1.00 1.55 H new ATOM 1343 N SER A 294 3.349 -8.641 0.140 1.00 0.17 N ATOM 1344 CA SER A 294 1.904 -8.699 0.053 1.00 0.18 C ATOM 1345 C SER A 294 1.218 -8.445 1.378 1.00 0.17 C ATOM 1346 O SER A 294 1.655 -8.915 2.428 1.00 0.20 O ATOM 1347 CB SER A 294 1.457 -10.043 -0.523 1.00 0.27 C ATOM 1348 OG SER A 294 1.975 -11.122 0.233 1.00 0.61 O ATOM 0 H SER A 294 3.814 -9.528 0.333 1.00 0.17 H new ATOM 0 HA SER A 294 1.602 -7.894 -0.617 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.368 -10.093 -0.534 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.790 -10.127 -1.557 1.00 0.27 H new ATOM 0 HG SER A 294 1.672 -11.969 -0.156 1.00 0.61 H new ATOM 1354 N THR A 295 0.105 -7.740 1.302 1.00 0.17 N ATOM 1355 CA THR A 295 -0.694 -7.453 2.464 1.00 0.15 C ATOM 1356 C THR A 295 -2.174 -7.499 2.083 1.00 0.15 C ATOM 1357 O THR A 295 -2.566 -7.029 1.006 1.00 0.15 O ATOM 1358 CB THR A 295 -0.290 -6.082 3.064 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.315 -6.148 4.489 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.175 -4.940 2.596 1.00 0.20 C ATOM 0 H THR A 295 -0.264 -7.354 0.433 1.00 0.17 H new ATOM 0 HA THR A 295 -0.519 -8.205 3.233 1.00 0.15 H new ATOM 0 HB THR A 295 0.719 -5.873 2.708 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.487 -5.255 4.855 1.00 0.29 H new ATOM 0 HG21 THR A 295 -0.839 -4.009 3.052 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.115 -4.855 1.511 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.207 -5.136 2.888 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.959 -8.222 2.869 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.357 -8.426 2.536 1.00 0.15 C ATOM 1370 C GLU A 296 -5.135 -7.140 2.753 1.00 0.14 C ATOM 1371 O GLU A 296 -4.783 -6.321 3.603 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.955 -9.569 3.356 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.139 -10.845 3.286 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.771 -11.987 4.054 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -4.770 -11.947 5.300 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -5.274 -12.937 3.414 1.00 0.96 O ATOM 0 H GLU A 296 -2.654 -8.672 3.732 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.426 -8.703 1.484 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.039 -9.256 4.397 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.966 -9.772 3.002 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -4.018 -11.137 2.243 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.141 -10.655 3.681 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.125 -6.921 1.918 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.907 -5.710 1.973 1.00 0.15 C ATOM 1385 C LEU A 297 -8.334 -6.021 2.385 1.00 0.15 C ATOM 1386 O LEU A 297 -9.073 -6.687 1.654 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.887 -5.008 0.617 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.617 -3.671 0.585 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -7.115 -2.795 1.717 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.409 -2.980 -0.749 1.00 0.29 C ATOM 0 H LEU A 297 -6.408 -7.573 1.187 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.469 -5.045 2.717 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.850 -4.848 0.320 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.333 -5.669 -0.126 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.685 -3.847 0.712 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.636 -1.838 1.695 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.303 -3.289 2.670 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -6.044 -2.627 1.600 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.938 -2.027 -0.752 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.345 -2.804 -0.906 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.794 -3.611 -1.550 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.721 -5.505 3.538 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.071 -5.678 4.039 1.00 0.19 C ATOM 1404 C PHE A 298 -10.736 -4.319 4.182 1.00 0.19 C ATOM 1405 O PHE A 298 -10.166 -3.399 4.767 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.071 -6.394 5.395 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.669 -7.843 5.349 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.421 -8.226 4.885 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.544 -8.823 5.787 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -8.057 -9.558 4.856 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.186 -10.155 5.758 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.940 -10.524 5.293 1.00 0.45 C ATOM 0 H PHE A 298 -8.113 -4.959 4.148 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.625 -6.292 3.328 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.395 -5.866 6.068 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.069 -6.323 5.826 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.725 -7.475 4.542 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.519 -8.541 6.156 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -7.081 -9.843 4.491 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.880 -10.909 6.099 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.657 -11.566 5.271 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.918 -4.171 3.618 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.609 -2.898 3.699 1.00 0.28 C ATOM 1424 C VAL A 299 -13.689 -2.908 4.779 1.00 0.32 C ATOM 1425 O VAL A 299 -14.593 -3.749 4.788 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.215 -2.459 2.347 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.203 -3.475 1.814 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.871 -1.093 2.484 1.00 0.35 C ATOM 0 H VAL A 299 -12.414 -4.901 3.107 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.849 -2.166 3.972 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.401 -2.391 1.625 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.605 -3.127 0.862 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.699 -4.430 1.667 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -15.017 -3.600 2.528 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.294 -0.795 1.525 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.664 -1.143 3.230 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.126 -0.361 2.795 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.630 -1.900 5.625 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.638 -1.654 6.627 1.00 0.41 C ATOM 1440 C LYS A 300 -15.701 -0.737 6.044 1.00 0.40 C ATOM 1441 O LYS A 300 -15.373 0.298 5.450 1.00 0.37 O ATOM 1442 CB LYS A 300 -14.001 -0.988 7.847 1.00 0.48 C ATOM 1443 CG LYS A 300 -12.884 -1.802 8.479 1.00 1.17 C ATOM 1444 CD LYS A 300 -12.212 -1.040 9.611 1.00 1.72 C ATOM 1445 CE LYS A 300 -11.616 0.273 9.128 1.00 2.32 C ATOM 1446 NZ LYS A 300 -10.933 1.007 10.223 1.00 3.03 N ATOM 0 H LYS A 300 -12.869 -1.221 5.633 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.090 -2.598 6.932 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.607 -0.015 7.553 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.773 -0.807 8.595 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -13.287 -2.741 8.859 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -12.144 -2.057 7.721 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -12.939 -0.842 10.398 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -11.427 -1.657 10.049 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -10.906 0.076 8.325 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -12.405 0.898 8.709 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -10.540 1.896 9.853 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -11.616 1.218 10.978 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -10.163 0.422 10.606 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.957 -1.104 6.219 1.00 0.50 N ATOM 1461 CA GLU A 301 -18.054 -0.288 5.735 1.00 0.57 C ATOM 1462 C GLU A 301 -18.148 1.000 6.543 1.00 0.65 C ATOM 1463 O GLU A 301 -17.966 0.941 7.781 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.373 -1.052 5.819 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.483 -2.187 4.822 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.771 -2.971 4.961 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.591 -2.622 5.835 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -20.976 -3.934 4.193 1.00 1.21 O ATOM 1469 OXT GLU A 301 -18.394 2.064 5.946 1.00 1.20 O ATOM 0 H GLU A 301 -17.242 -1.961 6.692 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.862 -0.041 4.691 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.487 -1.452 6.826 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.197 -0.357 5.657 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.416 -1.784 3.811 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.637 -2.862 4.953 1.00 0.66 H new