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 234 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 270 THR OG1 : rot 180:sc= 0 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.264 F(o=-2.7!,f=-0.26) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 218 LYS NZ :NH3+ -150:sc= 1.28 (180deg=1.17) USER MOD Single : A 223 TYR OH : rot 180:sc= -1.67! USER MOD Single : A 224 GLN :FLIP amide:sc= 0 F(o=-1.2!,f=0) 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= -0.0824 X(o=-0.082,f=-0.13) USER MOD Single : A 230 LYS NZ :NH3+ 174:sc=-0.00793 (180deg=-0.0781) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.48 F(o=-2.5!,f=0.48) USER MOD Single : A 245 LYS NZ :NH3+ 164:sc= 1.09 (180deg=0.847) USER MOD Single : A 248 LYS NZ :NH3+ -105:sc= 1.28 (180deg=0.546) USER MOD Single : A 249 ASN : amide:sc= -0.29 K(o=-0.29,f=-5.4!) USER MOD Single : A 251 GLN :FLIP amide:sc= -0.969 F(o=-3.3!,f=-0.97) USER MOD Single : A 254 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.47) USER MOD Single : A 255 MET CE :methyl -133:sc= -0.569 (180deg=-1.85) USER MOD Single : A 256 SER OG : rot 180:sc= 0.42 USER MOD Single : A 258 SER OG : rot 180:sc= 0.0581 USER MOD Single : A 259 LYS NZ :NH3+ -141:sc= -0.118 (180deg=-0.473) 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+ -163:sc= -0.0108 (180deg=-0.272) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 180:sc= -0.152 USER MOD Single : A 275 GLN : amide:sc= -0.691 K(o=-0.69,f=-2.7!) USER MOD Single : A 276 CYS SG : rot 60:sc= -0.315 USER MOD Single : A 277 SER OG : rot 180:sc= 0.0685 USER MOD Single : A 284 TYR OH : rot 180:sc= 0 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.6! C(o=-14!,f=-12!) USER MOD Single : A 286 CYS SG : rot 61:sc= -3.31! USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 293 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 SER OG : rot 180:sc= 0 USER MOD Single : A 295 THR OG1 : rot -147:sc= -3.09! USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 12.029 -3.187 -0.058 1.00 0.50 N ATOM 98 CA ALA A 214 12.806 -2.225 0.703 1.00 0.39 C ATOM 99 C ALA A 214 11.919 -1.434 1.652 1.00 0.25 C ATOM 100 O ALA A 214 12.225 -0.298 2.001 1.00 0.27 O ATOM 101 CB ALA A 214 13.540 -1.278 -0.215 1.00 0.48 C ATOM 0 HA ALA A 214 13.535 -2.784 1.289 1.00 0.39 H new ATOM 0 HB1 ALA A 214 14.115 -0.567 0.379 1.00 0.48 H new ATOM 0 HB2 ALA A 214 14.215 -1.844 -0.857 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.821 -0.738 -0.831 1.00 0.48 H new ATOM 107 N PHE A 215 10.884 -2.071 2.156 1.00 0.25 N ATOM 108 CA PHE A 215 10.085 -1.486 3.198 1.00 0.18 C ATOM 109 C PHE A 215 10.572 -2.056 4.511 1.00 0.21 C ATOM 110 O PHE A 215 10.408 -3.251 4.765 1.00 0.28 O ATOM 111 CB PHE A 215 8.588 -1.794 2.997 1.00 0.20 C ATOM 112 CG PHE A 215 8.018 -1.339 1.661 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.573 -1.770 0.464 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.930 -0.483 1.599 1.00 0.26 C ATOM 115 CE1 PHE A 215 8.059 -1.358 -0.748 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.414 -0.071 0.388 1.00 0.31 C ATOM 117 CZ PHE A 215 6.969 -0.506 -0.781 1.00 0.35 C ATOM 0 H PHE A 215 10.580 -2.997 1.856 1.00 0.25 H new ATOM 0 HA PHE A 215 10.188 -0.401 3.184 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.436 -2.869 3.094 1.00 0.20 H new ATOM 0 HB3 PHE A 215 8.023 -1.319 3.798 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.421 -2.439 0.482 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.478 -0.132 2.515 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.506 -1.700 -1.670 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.567 0.599 0.364 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.559 -0.186 -1.728 1.00 0.35 H new ATOM 127 N GLN A 216 11.208 -1.200 5.304 1.00 0.18 N ATOM 128 CA GLN A 216 11.732 -1.569 6.613 1.00 0.21 C ATOM 129 C GLN A 216 10.686 -2.357 7.356 1.00 0.24 C ATOM 130 O GLN A 216 10.888 -3.512 7.708 1.00 0.31 O ATOM 131 CB GLN A 216 12.057 -0.305 7.398 1.00 0.20 C ATOM 132 CG GLN A 216 13.347 -0.395 8.196 1.00 0.25 C ATOM 133 CD GLN A 216 13.735 0.915 8.858 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.018 1.983 8.549 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.691 0.969 9.630 1.00 0.79 N flip ATOM 0 H GLN A 216 11.375 -0.225 5.055 1.00 0.18 H new ATOM 0 HA GLN A 216 12.634 -2.169 6.494 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.126 0.534 6.706 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.234 -0.089 8.079 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.240 -1.163 8.962 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.153 -0.713 7.535 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.221 0.125 9.845 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.954 1.858 10.055 1.00 0.79 H new ATOM 144 N LYS A 217 9.506 -1.785 7.398 1.00 0.20 N ATOM 145 CA LYS A 217 8.349 -2.497 7.849 1.00 0.22 C ATOM 146 C LYS A 217 7.165 -2.215 6.928 1.00 0.17 C ATOM 147 O LYS A 217 6.663 -1.094 6.891 1.00 0.17 O ATOM 148 CB LYS A 217 8.016 -2.083 9.275 1.00 0.28 C ATOM 149 CG LYS A 217 6.727 -2.687 9.778 1.00 0.36 C ATOM 150 CD LYS A 217 6.282 -2.033 11.071 1.00 0.59 C ATOM 151 CE LYS A 217 4.860 -2.432 11.433 1.00 1.26 C ATOM 152 NZ LYS A 217 4.361 -1.707 12.629 1.00 1.85 N ATOM 0 H LYS A 217 9.328 -0.819 7.121 1.00 0.20 H new ATOM 0 HA LYS A 217 8.558 -3.567 7.828 1.00 0.22 H new ATOM 0 HB2 LYS A 217 8.832 -2.380 9.934 1.00 0.28 H new ATOM 0 HB3 LYS A 217 7.946 -0.996 9.325 1.00 0.28 H new ATOM 0 HG2 LYS A 217 5.949 -2.572 9.023 1.00 0.36 H new ATOM 0 HG3 LYS A 217 6.861 -3.757 9.936 1.00 0.36 H new ATOM 0 HD2 LYS A 217 6.958 -2.319 11.877 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.344 -0.949 10.973 1.00 0.59 H new ATOM 0 HE2 LYS A 217 4.202 -2.231 10.588 1.00 1.26 H new ATOM 0 HE3 LYS A 217 4.822 -3.505 11.619 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 3.389 -2.011 12.838 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 4.973 -1.918 13.443 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 4.372 -0.684 12.444 1.00 1.85 H new ATOM 166 N LYS A 218 6.580 -3.270 6.401 1.00 0.19 N ATOM 167 CA LYS A 218 5.278 -3.167 5.764 1.00 0.20 C ATOM 168 C LYS A 218 4.232 -3.382 6.845 1.00 0.18 C ATOM 169 O LYS A 218 4.417 -4.243 7.710 1.00 0.20 O ATOM 170 CB LYS A 218 5.129 -4.215 4.646 1.00 0.31 C ATOM 171 CG LYS A 218 3.718 -4.345 4.073 1.00 0.39 C ATOM 172 CD LYS A 218 3.490 -5.746 3.523 1.00 0.96 C ATOM 173 CE LYS A 218 3.598 -6.785 4.630 1.00 1.56 C ATOM 174 NZ LYS A 218 3.610 -8.177 4.108 1.00 2.42 N ATOM 0 H LYS A 218 6.982 -4.208 6.399 1.00 0.19 H new ATOM 0 HA LYS A 218 5.157 -2.188 5.300 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.813 -3.961 3.836 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.440 -5.185 5.033 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.983 -4.129 4.849 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.572 -3.610 3.282 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.506 -5.804 3.059 1.00 0.96 H new ATOM 0 HD3 LYS A 218 4.222 -5.960 2.745 1.00 0.96 H new ATOM 0 HE2 LYS A 218 4.509 -6.608 5.202 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.761 -6.666 5.318 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 3.186 -8.815 4.811 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 3.062 -8.222 3.225 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 4.590 -8.469 3.922 1.00 2.42 H new ATOM 188 N LEU A 219 3.184 -2.570 6.858 1.00 0.16 N ATOM 189 CA LEU A 219 2.155 -2.696 7.881 1.00 0.16 C ATOM 190 C LEU A 219 1.534 -4.095 7.852 1.00 0.16 C ATOM 191 O LEU A 219 1.766 -4.861 6.912 1.00 0.17 O ATOM 192 CB LEU A 219 1.073 -1.625 7.733 1.00 0.20 C ATOM 193 CG LEU A 219 1.295 -0.352 8.555 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.107 0.588 8.416 1.00 1.20 C ATOM 195 CD2 LEU A 219 1.536 -0.693 10.017 1.00 1.62 C ATOM 0 H LEU A 219 3.024 -1.825 6.180 1.00 0.16 H new ATOM 0 HA LEU A 219 2.635 -2.546 8.848 1.00 0.16 H new ATOM 0 HB2 LEU A 219 0.999 -1.350 6.681 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.114 -2.059 8.017 1.00 0.20 H new ATOM 0 HG LEU A 219 2.181 0.153 8.170 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.283 1.487 9.007 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.020 0.862 7.369 1.00 1.20 H new ATOM 0 HD13 LEU A 219 -0.795 0.090 8.773 1.00 1.20 H new ATOM 0 HD21 LEU A 219 1.691 0.225 10.584 1.00 1.62 H new ATOM 0 HD22 LEU A 219 0.670 -1.223 10.415 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.419 -1.326 10.102 1.00 1.62 H new ATOM 207 N GLU A 220 0.826 -4.452 8.921 1.00 0.17 N ATOM 208 CA GLU A 220 0.235 -5.785 9.056 1.00 0.20 C ATOM 209 C GLU A 220 -0.505 -6.189 7.784 1.00 0.19 C ATOM 210 O GLU A 220 -1.157 -5.359 7.159 1.00 0.19 O ATOM 211 CB GLU A 220 -0.733 -5.829 10.243 1.00 0.23 C ATOM 212 CG GLU A 220 -1.869 -4.812 10.168 1.00 0.24 C ATOM 213 CD GLU A 220 -1.447 -3.422 10.596 1.00 0.75 C ATOM 214 OE1 GLU A 220 -0.756 -3.299 11.628 1.00 1.43 O ATOM 215 OE2 GLU A 220 -1.777 -2.452 9.883 1.00 1.12 O ATOM 0 H GLU A 220 0.646 -3.834 9.712 1.00 0.17 H new ATOM 0 HA GLU A 220 1.049 -6.489 9.228 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.161 -6.829 10.310 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.171 -5.660 11.161 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -2.247 -4.773 9.147 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.692 -5.147 10.800 1.00 0.24 H new ATOM 222 N PRO A 221 -0.366 -7.460 7.356 1.00 0.22 N ATOM 223 CA PRO A 221 -0.967 -7.957 6.106 1.00 0.23 C ATOM 224 C PRO A 221 -2.489 -8.032 6.147 1.00 0.20 C ATOM 225 O PRO A 221 -3.083 -8.918 5.547 1.00 0.19 O ATOM 226 CB PRO A 221 -0.363 -9.351 5.939 1.00 0.29 C ATOM 227 CG PRO A 221 0.033 -9.762 7.313 1.00 0.57 C ATOM 228 CD PRO A 221 0.443 -8.498 8.018 1.00 0.26 C ATOM 0 HA PRO A 221 -0.756 -7.282 5.277 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.085 -10.046 5.511 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.496 -9.332 5.269 1.00 0.29 H new ATOM 0 HG2 PRO A 221 -0.795 -10.247 7.830 1.00 0.57 H new ATOM 0 HG3 PRO A 221 0.854 -10.478 7.285 1.00 0.57 H new ATOM 0 HD2 PRO A 221 0.235 -8.549 9.087 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.510 -8.306 7.910 1.00 0.26 H new ATOM 236 N ALA A 222 -3.099 -6.996 6.694 1.00 0.20 N ATOM 237 CA ALA A 222 -4.537 -6.824 6.660 1.00 0.19 C ATOM 238 C ALA A 222 -4.867 -5.358 6.816 1.00 0.15 C ATOM 239 O ALA A 222 -5.199 -4.889 7.909 1.00 0.17 O ATOM 240 CB ALA A 222 -5.236 -7.628 7.737 1.00 0.24 C ATOM 0 H ALA A 222 -2.605 -6.246 7.177 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.896 -7.192 5.699 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.312 -7.466 7.671 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.019 -8.687 7.599 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.881 -7.310 8.717 1.00 0.24 H new ATOM 246 N TYR A 223 -4.777 -4.634 5.722 1.00 0.12 N ATOM 247 CA TYR A 223 -5.125 -3.231 5.727 1.00 0.11 C ATOM 248 C TYR A 223 -6.640 -3.128 5.678 1.00 0.13 C ATOM 249 O TYR A 223 -7.276 -3.779 4.849 1.00 0.17 O ATOM 250 CB TYR A 223 -4.490 -2.501 4.534 1.00 0.12 C ATOM 251 CG TYR A 223 -2.978 -2.346 4.600 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.182 -3.248 5.293 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.343 -1.297 3.947 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.805 -3.107 5.333 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.965 -1.157 3.980 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.205 -2.063 4.670 1.00 0.16 C ATOM 257 OH TYR A 223 1.164 -1.924 4.693 1.00 0.21 O ATOM 0 H TYR A 223 -4.466 -4.993 4.819 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.743 -2.755 6.631 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.744 -3.040 3.621 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.938 -1.510 4.455 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.645 -4.075 5.811 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.935 -0.576 3.403 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.204 -3.815 5.884 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.492 -0.335 3.463 1.00 0.20 H new ATOM 0 HH TYR A 223 1.421 -1.134 4.173 1.00 0.21 H new ATOM 267 N GLN A 224 -7.218 -2.462 6.664 1.00 0.15 N ATOM 268 CA GLN A 224 -8.665 -2.431 6.803 1.00 0.18 C ATOM 269 C GLN A 224 -9.222 -1.062 6.430 1.00 0.17 C ATOM 270 O GLN A 224 -9.118 -0.104 7.200 1.00 0.22 O ATOM 271 CB GLN A 224 -9.062 -2.820 8.227 1.00 0.26 C ATOM 272 CG GLN A 224 -8.613 -4.226 8.603 1.00 0.34 C ATOM 273 CD GLN A 224 -8.833 -4.566 10.066 1.00 0.61 C ATOM 274 OE1 GLN A 224 -9.431 -3.655 10.811 1.00 1.42 O flip ATOM 275 NE2 GLN A 224 -8.472 -5.650 10.525 1.00 0.99 N flip ATOM 0 H GLN A 224 -6.711 -1.938 7.377 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.097 -3.157 6.114 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.629 -2.106 8.928 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.145 -2.750 8.329 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.151 -4.947 7.987 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.554 -4.334 8.369 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -8.012 -6.332 9.921 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -8.633 -5.866 11.509 1.00 0.99 H new ATOM 284 N VAL A 225 -9.744 -0.960 5.212 1.00 0.16 N ATOM 285 CA VAL A 225 -10.261 0.297 4.702 1.00 0.18 C ATOM 286 C VAL A 225 -11.479 0.737 5.477 1.00 0.24 C ATOM 287 O VAL A 225 -12.493 0.057 5.452 1.00 0.30 O ATOM 288 CB VAL A 225 -10.707 0.200 3.228 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.880 1.590 2.630 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.754 -0.637 2.401 1.00 0.77 C ATOM 0 H VAL A 225 -9.819 -1.740 4.559 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.439 1.005 4.803 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.672 -0.307 3.208 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.195 1.502 1.590 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.636 2.137 3.193 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.933 2.127 2.678 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.107 -0.678 1.370 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.760 -0.190 2.427 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.708 -1.647 2.810 1.00 0.77 H new ATOM 300 N SER A 226 -11.501 1.994 5.834 1.00 0.26 N ATOM 301 CA SER A 226 -12.756 2.597 6.187 1.00 0.33 C ATOM 302 C SER A 226 -13.397 3.036 4.874 1.00 0.32 C ATOM 303 O SER A 226 -12.814 3.847 4.156 1.00 0.32 O ATOM 304 CB SER A 226 -12.536 3.776 7.129 1.00 0.42 C ATOM 305 OG SER A 226 -13.765 4.335 7.559 1.00 1.20 O ATOM 0 H SER A 226 -10.687 2.606 5.887 1.00 0.26 H new ATOM 0 HA SER A 226 -13.405 1.901 6.718 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.962 3.448 7.995 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.944 4.540 6.625 1.00 0.42 H new ATOM 0 HG SER A 226 -13.589 5.087 8.162 1.00 1.20 H new ATOM 311 N LYS A 227 -14.319 2.214 4.406 1.00 0.34 N ATOM 312 CA LYS A 227 -14.798 2.278 3.028 1.00 0.37 C ATOM 313 C LYS A 227 -15.079 3.708 2.564 1.00 0.42 C ATOM 314 O LYS A 227 -15.817 4.460 3.203 1.00 0.48 O ATOM 315 CB LYS A 227 -16.051 1.406 2.852 1.00 0.44 C ATOM 316 CG LYS A 227 -17.338 2.023 3.367 1.00 0.95 C ATOM 317 CD LYS A 227 -18.539 1.511 2.594 1.00 0.93 C ATOM 318 CE LYS A 227 -19.832 1.832 3.310 1.00 0.96 C ATOM 319 NZ LYS A 227 -21.020 1.502 2.482 1.00 1.54 N ATOM 0 H LYS A 227 -14.759 1.483 4.965 1.00 0.34 H new ATOM 0 HA LYS A 227 -13.996 1.891 2.400 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.172 1.180 1.793 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.890 0.457 3.364 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.458 1.791 4.425 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.283 3.108 3.283 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.551 1.957 1.600 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.454 0.433 2.458 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -19.876 1.276 4.246 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.851 2.891 3.567 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -21.886 1.737 3.008 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -20.992 2.051 1.599 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -21.016 0.486 2.258 1.00 1.54 H new ATOM 333 N GLY A 228 -14.426 4.088 1.470 1.00 0.46 N ATOM 334 CA GLY A 228 -14.603 5.418 0.907 1.00 0.57 C ATOM 335 C GLY A 228 -13.953 6.503 1.742 1.00 0.57 C ATOM 336 O GLY A 228 -13.796 7.635 1.288 1.00 0.70 O ATOM 0 H GLY A 228 -13.772 3.495 0.959 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.183 5.440 -0.099 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.668 5.628 0.813 1.00 0.57 H new ATOM 340 N HIS A 229 -13.482 6.128 2.920 1.00 0.47 N ATOM 341 CA HIS A 229 -12.788 7.054 3.803 1.00 0.53 C ATOM 342 C HIS A 229 -11.306 7.052 3.460 1.00 0.54 C ATOM 343 O HIS A 229 -10.491 7.602 4.194 1.00 1.02 O ATOM 344 CB HIS A 229 -13.009 6.657 5.265 1.00 0.55 C ATOM 345 CG HIS A 229 -12.649 7.721 6.262 1.00 1.32 C ATOM 346 ND1 HIS A 229 -13.240 8.965 6.281 1.00 1.94 N ATOM 347 CD2 HIS A 229 -11.762 7.715 7.285 1.00 2.31 C ATOM 348 CE1 HIS A 229 -12.731 9.677 7.268 1.00 2.66 C ATOM 349 NE2 HIS A 229 -11.834 8.943 7.892 1.00 2.89 N ATOM 0 H HIS A 229 -13.568 5.181 3.290 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.184 8.060 3.665 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -14.057 6.390 5.401 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -12.422 5.764 5.478 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -11.118 6.896 7.570 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -13.004 10.691 7.521 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -11.282 9.239 8.697 1.00 2.89 H new ATOM 358 N LYS A 230 -11.005 6.383 2.344 1.00 0.30 N ATOM 359 CA LYS A 230 -9.655 6.233 1.780 1.00 0.28 C ATOM 360 C LYS A 230 -8.680 5.564 2.750 1.00 0.24 C ATOM 361 O LYS A 230 -8.338 6.106 3.801 1.00 0.28 O ATOM 362 CB LYS A 230 -9.085 7.570 1.234 1.00 0.36 C ATOM 363 CG LYS A 230 -8.732 8.626 2.272 1.00 1.00 C ATOM 364 CD LYS A 230 -8.120 9.863 1.631 1.00 1.23 C ATOM 365 CE LYS A 230 -7.890 10.967 2.653 1.00 1.65 C ATOM 366 NZ LYS A 230 -6.957 10.552 3.736 1.00 2.24 N ATOM 0 H LYS A 230 -11.718 5.913 1.786 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.766 5.561 0.929 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.190 7.348 0.653 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -9.814 7.997 0.546 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.629 8.908 2.824 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -8.032 8.206 2.994 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -7.173 9.599 1.160 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -8.777 10.228 0.842 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -7.490 11.847 2.149 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -8.845 11.257 3.091 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -6.753 11.367 4.349 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -7.394 9.795 4.300 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -6.071 10.204 3.317 1.00 2.24 H new ATOM 380 N ILE A 231 -8.236 4.366 2.393 1.00 0.20 N ATOM 381 CA ILE A 231 -7.279 3.654 3.231 1.00 0.17 C ATOM 382 C ILE A 231 -5.841 3.947 2.797 1.00 0.16 C ATOM 383 O ILE A 231 -5.515 3.918 1.611 1.00 0.17 O ATOM 384 CB ILE A 231 -7.520 2.126 3.243 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.498 1.448 4.159 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.408 1.557 1.841 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.760 -0.013 4.405 1.00 0.19 C ATOM 0 H ILE A 231 -8.516 3.874 1.545 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.431 4.021 4.246 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.526 1.936 3.617 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.506 1.558 3.721 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.484 1.969 5.116 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.581 0.481 1.870 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.152 2.027 1.197 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.411 1.754 1.447 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.990 -0.415 5.063 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.737 -0.134 4.873 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.743 -0.550 3.457 1.00 0.19 H new ATOM 399 N ARG A 232 -4.992 4.241 3.766 1.00 0.17 N ATOM 400 CA ARG A 232 -3.587 4.509 3.504 1.00 0.17 C ATOM 401 C ARG A 232 -2.759 3.241 3.692 1.00 0.15 C ATOM 402 O ARG A 232 -2.865 2.581 4.726 1.00 0.19 O ATOM 403 CB ARG A 232 -3.082 5.591 4.455 1.00 0.22 C ATOM 404 CG ARG A 232 -3.774 6.932 4.295 1.00 0.34 C ATOM 405 CD ARG A 232 -3.286 7.924 5.337 1.00 0.77 C ATOM 406 NE ARG A 232 -3.454 7.408 6.695 1.00 1.44 N ATOM 407 CZ ARG A 232 -3.049 8.045 7.796 1.00 2.13 C ATOM 408 NH1 ARG A 232 -2.454 9.228 7.700 1.00 2.48 N ATOM 409 NH2 ARG A 232 -3.224 7.487 8.985 1.00 3.14 N ATOM 0 H ARG A 232 -5.253 4.301 4.750 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.484 4.850 2.474 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.213 5.247 5.481 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.012 5.726 4.298 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.585 7.326 3.296 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -4.852 6.802 4.388 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -2.234 8.149 5.161 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -3.834 8.860 5.233 1.00 0.77 H new ATOM 0 HE ARG A 232 -3.910 6.503 6.808 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -2.306 9.651 6.784 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -2.145 9.713 8.542 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -3.668 6.572 9.058 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -2.915 7.973 9.827 1.00 3.14 H new ATOM 423 N LEU A 233 -1.870 2.942 2.750 1.00 0.13 N ATOM 424 CA LEU A 233 -0.976 1.824 2.915 1.00 0.14 C ATOM 425 C LEU A 233 0.319 2.342 3.494 1.00 0.13 C ATOM 426 O LEU A 233 1.179 2.826 2.769 1.00 0.13 O ATOM 427 CB LEU A 233 -0.728 1.115 1.572 1.00 0.15 C ATOM 428 CG LEU A 233 -1.830 0.141 1.119 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.133 0.870 0.814 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.377 -0.651 -0.096 1.00 0.23 C ATOM 0 H LEU A 233 -1.757 3.458 1.877 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.420 1.090 3.588 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.599 1.874 0.800 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.211 0.566 1.640 1.00 0.15 H new ATOM 0 HG LEU A 233 -2.016 -0.548 1.943 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.887 0.150 0.497 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.478 1.388 1.709 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.966 1.595 0.017 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.170 -1.334 -0.401 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.153 0.034 -0.914 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.483 -1.222 0.154 1.00 0.23 H new ATOM 442 N THR A 234 0.394 2.357 4.810 1.00 0.14 N ATOM 443 CA THR A 234 1.526 2.948 5.488 1.00 0.16 C ATOM 444 C THR A 234 2.611 1.916 5.730 1.00 0.16 C ATOM 445 O THR A 234 2.325 0.756 6.020 1.00 0.22 O ATOM 446 CB THR A 234 1.109 3.588 6.826 1.00 0.22 C ATOM 447 OG1 THR A 234 0.020 4.497 6.606 1.00 0.33 O ATOM 448 CG2 THR A 234 2.274 4.331 7.461 1.00 0.24 C ATOM 0 H THR A 234 -0.316 1.966 5.429 1.00 0.14 H new ATOM 0 HA THR A 234 1.919 3.730 4.839 1.00 0.16 H new ATOM 0 HB THR A 234 0.797 2.794 7.505 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.245 4.902 7.458 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.953 4.773 8.404 1.00 0.24 H new ATOM 0 HG22 THR A 234 3.092 3.635 7.647 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.614 5.118 6.788 1.00 0.24 H new ATOM 456 N VAL A 235 3.844 2.329 5.518 1.00 0.14 N ATOM 457 CA VAL A 235 4.989 1.459 5.676 1.00 0.14 C ATOM 458 C VAL A 235 6.163 2.247 6.228 1.00 0.14 C ATOM 459 O VAL A 235 6.389 3.396 5.839 1.00 0.16 O ATOM 460 CB VAL A 235 5.410 0.821 4.336 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.322 -0.077 3.799 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.716 1.899 3.328 1.00 0.14 C ATOM 0 H VAL A 235 4.080 3.279 5.231 1.00 0.14 H new ATOM 0 HA VAL A 235 4.703 0.665 6.366 1.00 0.14 H new ATOM 0 HB VAL A 235 6.302 0.219 4.512 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.644 -0.514 2.854 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.120 -0.872 4.516 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.415 0.506 3.639 1.00 0.15 H new ATOM 0 HG21 VAL A 235 6.013 1.441 2.384 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.829 2.512 3.171 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.528 2.524 3.699 1.00 0.14 H new ATOM 472 N GLU A 236 6.998 1.575 6.984 1.00 0.13 N ATOM 473 CA GLU A 236 8.248 2.149 7.396 1.00 0.13 C ATOM 474 C GLU A 236 9.262 1.739 6.360 1.00 0.13 C ATOM 475 O GLU A 236 9.457 0.557 6.141 1.00 0.17 O ATOM 476 CB GLU A 236 8.645 1.609 8.769 1.00 0.18 C ATOM 477 CG GLU A 236 9.793 2.350 9.425 1.00 0.29 C ATOM 478 CD GLU A 236 10.184 1.733 10.754 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.578 0.716 11.145 1.00 1.18 O ATOM 480 OE2 GLU A 236 11.103 2.262 11.416 1.00 1.05 O ATOM 0 H GLU A 236 6.830 0.628 7.325 1.00 0.13 H new ATOM 0 HA GLU A 236 8.182 3.234 7.476 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.777 1.652 9.427 1.00 0.18 H new ATOM 0 HB3 GLU A 236 8.917 0.558 8.668 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.654 2.348 8.757 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.511 3.392 9.578 1.00 0.29 H new ATOM 487 N LEU A 237 9.700 2.675 5.552 1.00 0.13 N ATOM 488 CA LEU A 237 10.533 2.334 4.415 1.00 0.15 C ATOM 489 C LEU A 237 11.971 2.130 4.832 1.00 0.17 C ATOM 490 O LEU A 237 12.478 2.849 5.681 1.00 0.19 O ATOM 491 CB LEU A 237 10.477 3.423 3.350 1.00 0.17 C ATOM 492 CG LEU A 237 9.647 3.101 2.112 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.738 4.248 1.128 1.00 0.44 C ATOM 494 CD2 LEU A 237 10.124 1.820 1.452 1.00 0.55 C ATOM 0 H LEU A 237 9.498 3.670 5.655 1.00 0.13 H new ATOM 0 HA LEU A 237 10.144 1.403 4.002 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.078 4.330 3.805 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.496 3.647 3.033 1.00 0.17 H new ATOM 0 HG LEU A 237 8.611 2.960 2.420 1.00 0.23 H new ATOM 0 HD11 LEU A 237 9.144 4.017 0.244 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.357 5.157 1.593 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.778 4.397 0.838 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.514 1.615 0.572 1.00 0.55 H new ATOM 0 HD22 LEU A 237 11.166 1.931 1.153 1.00 0.55 H new ATOM 0 HD23 LEU A 237 10.034 0.993 2.156 1.00 0.55 H new ATOM 506 N ALA A 238 12.661 1.274 4.098 1.00 0.19 N ATOM 507 CA ALA A 238 14.109 1.183 4.188 1.00 0.21 C ATOM 508 C ALA A 238 14.686 2.243 3.273 1.00 0.23 C ATOM 509 O ALA A 238 15.791 2.751 3.475 1.00 0.28 O ATOM 510 CB ALA A 238 14.586 -0.193 3.770 1.00 0.25 C ATOM 0 H ALA A 238 12.240 0.629 3.430 1.00 0.19 H new ATOM 0 HA ALA A 238 14.437 1.342 5.215 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.672 -0.240 3.845 1.00 0.25 H new ATOM 0 HB2 ALA A 238 14.145 -0.945 4.424 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.285 -0.385 2.740 1.00 0.25 H new ATOM 516 N ASP A 239 13.884 2.578 2.269 1.00 0.22 N ATOM 517 CA ASP A 239 14.219 3.604 1.299 1.00 0.25 C ATOM 518 C ASP A 239 14.327 4.964 1.957 1.00 0.25 C ATOM 519 O ASP A 239 15.258 5.717 1.687 1.00 0.34 O ATOM 520 CB ASP A 239 13.163 3.657 0.202 1.00 0.31 C ATOM 521 CG ASP A 239 13.343 2.549 -0.813 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.329 1.807 -0.708 1.00 1.28 O ATOM 523 OD2 ASP A 239 12.477 2.400 -1.699 1.00 1.19 O ATOM 0 H ASP A 239 12.977 2.140 2.107 1.00 0.22 H new ATOM 0 HA ASP A 239 15.186 3.348 0.865 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.172 3.581 0.649 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.212 4.622 -0.302 1.00 0.31 H new ATOM 528 N HIS A 240 13.345 5.271 2.803 1.00 0.27 N ATOM 529 CA HIS A 240 13.277 6.541 3.537 1.00 0.39 C ATOM 530 C HIS A 240 12.862 7.702 2.633 1.00 0.47 C ATOM 531 O HIS A 240 12.205 8.636 3.088 1.00 0.70 O ATOM 532 CB HIS A 240 14.605 6.877 4.237 1.00 0.46 C ATOM 533 CG HIS A 240 15.041 5.874 5.264 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.610 4.615 5.527 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 16.071 6.108 6.146 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 15.382 4.121 6.550 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 16.255 5.044 6.901 1.00 0.48 N flip ATOM 0 H HIS A 240 12.566 4.643 3.002 1.00 0.27 H new ATOM 0 HA HIS A 240 12.511 6.405 4.301 1.00 0.39 H new ATOM 0 HB2 HIS A 240 15.386 6.967 3.482 1.00 0.46 H new ATOM 0 HB3 HIS A 240 14.511 7.851 4.717 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.852 4.125 5.052 1.00 0.56 H new ATOM 0 HD2 HIS A 240 16.641 7.023 6.210 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.289 3.140 6.993 1.00 0.57 H new ATOM 546 N ASP A 241 13.308 7.691 1.381 1.00 0.41 N ATOM 547 CA ASP A 241 13.043 8.798 0.471 1.00 0.51 C ATOM 548 C ASP A 241 12.924 8.324 -0.968 1.00 0.44 C ATOM 549 O ASP A 241 13.410 8.963 -1.902 1.00 0.78 O ATOM 550 CB ASP A 241 14.133 9.867 0.607 1.00 0.80 C ATOM 551 CG ASP A 241 15.539 9.348 0.351 1.00 1.53 C ATOM 552 OD1 ASP A 241 15.879 9.107 -0.826 1.00 2.22 O ATOM 553 OD2 ASP A 241 16.306 9.164 1.319 1.00 2.08 O ATOM 0 H ASP A 241 13.853 6.930 0.975 1.00 0.41 H new ATOM 0 HA ASP A 241 12.084 9.238 0.746 1.00 0.51 H new ATOM 0 HB2 ASP A 241 13.923 10.677 -0.091 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.090 10.291 1.610 1.00 0.80 H new ATOM 558 N ALA A 242 12.174 7.258 -1.149 1.00 0.33 N ATOM 559 CA ALA A 242 11.914 6.727 -2.470 1.00 0.30 C ATOM 560 C ALA A 242 10.423 6.593 -2.710 1.00 0.24 C ATOM 561 O ALA A 242 9.661 6.321 -1.779 1.00 0.28 O ATOM 562 CB ALA A 242 12.591 5.384 -2.628 1.00 0.38 C ATOM 0 H ALA A 242 11.731 6.739 -0.391 1.00 0.33 H new ATOM 0 HA ALA A 242 12.318 7.419 -3.208 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.391 4.991 -3.625 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.666 5.500 -2.493 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.204 4.691 -1.880 1.00 0.38 H new ATOM 568 N GLU A 243 10.015 6.767 -3.958 1.00 0.26 N ATOM 569 CA GLU A 243 8.619 6.604 -4.322 1.00 0.30 C ATOM 570 C GLU A 243 8.257 5.133 -4.241 1.00 0.25 C ATOM 571 O GLU A 243 8.912 4.289 -4.857 1.00 0.25 O ATOM 572 CB GLU A 243 8.360 7.116 -5.741 1.00 0.39 C ATOM 573 CG GLU A 243 9.109 8.395 -6.080 1.00 0.67 C ATOM 574 CD GLU A 243 8.746 8.934 -7.446 1.00 1.10 C ATOM 575 OE1 GLU A 243 7.633 9.484 -7.600 1.00 1.56 O ATOM 576 OE2 GLU A 243 9.578 8.830 -8.368 1.00 1.64 O ATOM 0 H GLU A 243 10.629 7.020 -4.732 1.00 0.26 H new ATOM 0 HA GLU A 243 8.006 7.183 -3.632 1.00 0.30 H new ATOM 0 HB2 GLU A 243 8.643 6.341 -6.454 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.291 7.289 -5.865 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.891 9.151 -5.325 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.182 8.205 -6.041 1.00 0.67 H new ATOM 583 N VAL A 244 7.229 4.824 -3.483 1.00 0.24 N ATOM 584 CA VAL A 244 6.814 3.447 -3.335 1.00 0.21 C ATOM 585 C VAL A 244 5.734 3.105 -4.346 1.00 0.20 C ATOM 586 O VAL A 244 4.713 3.786 -4.441 1.00 0.23 O ATOM 587 CB VAL A 244 6.325 3.130 -1.899 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.513 3.011 -0.961 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.344 4.192 -1.381 1.00 0.27 C ATOM 0 H VAL A 244 6.669 5.500 -2.964 1.00 0.24 H new ATOM 0 HA VAL A 244 7.691 2.827 -3.523 1.00 0.21 H new ATOM 0 HB VAL A 244 5.792 2.180 -1.932 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.161 2.788 0.046 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.167 2.209 -1.302 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.065 3.951 -0.952 1.00 0.24 H new ATOM 0 HG21 VAL A 244 5.026 3.932 -0.371 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.835 5.165 -1.367 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.474 4.234 -2.036 1.00 0.27 H new ATOM 599 N LYS A 245 5.962 2.028 -5.080 1.00 0.18 N ATOM 600 CA LYS A 245 4.981 1.521 -6.020 1.00 0.19 C ATOM 601 C LYS A 245 4.245 0.381 -5.340 1.00 0.15 C ATOM 602 O LYS A 245 4.728 -0.163 -4.347 1.00 0.16 O ATOM 603 CB LYS A 245 5.657 1.035 -7.306 1.00 0.30 C ATOM 604 CG LYS A 245 6.634 2.027 -7.920 1.00 0.89 C ATOM 605 CD LYS A 245 5.934 3.231 -8.525 1.00 1.51 C ATOM 606 CE LYS A 245 6.933 4.125 -9.246 1.00 2.00 C ATOM 607 NZ LYS A 245 6.281 5.285 -9.906 1.00 2.79 N ATOM 0 H LYS A 245 6.825 1.486 -5.041 1.00 0.18 H new ATOM 0 HA LYS A 245 4.285 2.311 -6.302 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.187 0.106 -7.094 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.886 0.802 -8.041 1.00 0.30 H new ATOM 0 HG2 LYS A 245 7.334 2.364 -7.155 1.00 0.89 H new ATOM 0 HG3 LYS A 245 7.220 1.526 -8.690 1.00 0.89 H new ATOM 0 HD2 LYS A 245 5.165 2.899 -9.223 1.00 1.51 H new ATOM 0 HD3 LYS A 245 5.430 3.797 -7.742 1.00 1.51 H new ATOM 0 HE2 LYS A 245 7.674 4.486 -8.533 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.468 3.539 -9.993 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 7.000 5.997 -10.145 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 5.805 4.968 -10.775 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 5.581 5.703 -9.261 1.00 2.79 H new ATOM 621 N TRP A 246 3.016 0.133 -5.704 1.00 0.14 N ATOM 622 CA TRP A 246 2.259 -0.844 -4.951 1.00 0.13 C ATOM 623 C TRP A 246 1.624 -1.848 -5.884 1.00 0.14 C ATOM 624 O TRP A 246 1.822 -1.793 -7.089 1.00 0.14 O ATOM 625 CB TRP A 246 1.258 -0.169 -3.994 1.00 0.14 C ATOM 626 CG TRP A 246 1.942 0.772 -3.032 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.488 1.987 -3.341 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.202 0.577 -1.625 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.070 2.545 -2.237 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.909 1.710 -1.175 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.911 -0.431 -0.697 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.332 1.861 0.144 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.337 -0.265 0.617 1.00 0.15 C ATOM 634 CH2 TRP A 246 3.036 0.871 1.014 1.00 0.15 C ATOM 0 H TRP A 246 2.528 0.571 -6.485 1.00 0.14 H new ATOM 0 HA TRP A 246 2.940 -1.402 -4.308 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.517 0.381 -4.574 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.721 -0.934 -3.433 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.463 2.442 -4.320 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.549 3.445 -2.213 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.369 -1.316 -0.995 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.877 2.738 0.460 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.121 -1.034 1.344 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.350 0.963 2.043 1.00 0.15 H new ATOM 645 N LEU A 247 1.137 -2.917 -5.336 1.00 0.15 N ATOM 646 CA LEU A 247 0.675 -4.019 -6.143 1.00 0.14 C ATOM 647 C LEU A 247 -0.725 -4.408 -5.685 1.00 0.15 C ATOM 648 O LEU A 247 -0.938 -4.659 -4.515 1.00 0.16 O ATOM 649 CB LEU A 247 1.648 -5.197 -5.971 1.00 0.15 C ATOM 650 CG LEU A 247 2.529 -5.612 -7.163 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.953 -6.836 -7.856 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.714 -4.476 -8.149 1.00 0.17 C ATOM 0 H LEU A 247 1.046 -3.057 -4.330 1.00 0.15 H new ATOM 0 HA LEU A 247 0.638 -3.740 -7.196 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.310 -4.959 -5.138 1.00 0.15 H new ATOM 0 HB3 LEU A 247 1.063 -6.068 -5.674 1.00 0.15 H new ATOM 0 HG LEU A 247 3.513 -5.866 -6.769 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.591 -7.113 -8.696 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.903 -7.665 -7.149 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.951 -6.610 -8.221 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.342 -4.810 -8.975 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.742 -4.166 -8.534 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.191 -3.634 -7.648 1.00 0.17 H new ATOM 664 N LYS A 248 -1.636 -4.599 -6.609 1.00 0.19 N ATOM 665 CA LYS A 248 -2.915 -5.196 -6.273 1.00 0.25 C ATOM 666 C LYS A 248 -2.744 -6.687 -6.424 1.00 0.25 C ATOM 667 O LYS A 248 -1.838 -7.107 -7.129 1.00 0.21 O ATOM 668 CB LYS A 248 -4.040 -4.684 -7.182 1.00 0.34 C ATOM 669 CG LYS A 248 -5.410 -5.243 -6.825 1.00 0.77 C ATOM 670 CD LYS A 248 -6.533 -4.518 -7.545 1.00 0.95 C ATOM 671 CE LYS A 248 -7.891 -5.037 -7.101 1.00 1.57 C ATOM 672 NZ LYS A 248 -9.012 -4.269 -7.704 1.00 2.06 N ATOM 0 H LYS A 248 -1.522 -4.354 -7.592 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.203 -4.928 -5.256 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.074 -3.596 -7.127 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.808 -4.943 -8.215 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.444 -6.303 -7.077 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.562 -5.166 -5.748 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.466 -3.448 -7.346 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.424 -4.650 -8.622 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -7.984 -6.088 -7.376 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -7.960 -4.984 -6.014 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -9.428 -3.641 -6.987 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.655 -3.700 -8.498 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -9.738 -4.928 -8.049 1.00 2.06 H new ATOM 686 N ASN A 249 -3.459 -7.474 -5.641 1.00 0.34 N ATOM 687 CA ASN A 249 -3.303 -8.921 -5.669 1.00 0.40 C ATOM 688 C ASN A 249 -3.183 -9.415 -7.109 1.00 0.35 C ATOM 689 O ASN A 249 -4.160 -9.419 -7.859 1.00 0.35 O ATOM 690 CB ASN A 249 -4.497 -9.597 -4.975 1.00 0.61 C ATOM 691 CG ASN A 249 -5.784 -8.827 -5.132 1.00 0.75 C ATOM 692 OD1 ASN A 249 -5.888 -7.657 -4.770 1.00 1.38 O ATOM 693 ND2 ASN A 249 -6.798 -9.479 -5.608 1.00 1.19 N ATOM 0 H ASN A 249 -4.155 -7.137 -4.976 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.390 -9.183 -5.134 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -4.628 -10.599 -5.383 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.276 -9.712 -3.914 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -7.706 -9.022 -5.688 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.688 -10.449 -5.902 1.00 1.19 H new ATOM 700 N GLY A 250 -1.943 -9.711 -7.508 1.00 0.35 N ATOM 701 CA GLY A 250 -1.641 -10.061 -8.888 1.00 0.35 C ATOM 702 C GLY A 250 -1.443 -8.853 -9.807 1.00 0.33 C ATOM 703 O GLY A 250 -0.561 -8.868 -10.665 1.00 0.39 O ATOM 0 H GLY A 250 -1.133 -9.714 -6.888 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.738 -10.672 -8.908 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.451 -10.676 -9.282 1.00 0.35 H new ATOM 707 N GLN A 251 -2.276 -7.825 -9.660 1.00 0.30 N ATOM 708 CA GLN A 251 -2.204 -6.637 -10.522 1.00 0.36 C ATOM 709 C GLN A 251 -1.116 -5.668 -10.051 1.00 0.25 C ATOM 710 O GLN A 251 -0.849 -5.547 -8.867 1.00 0.28 O ATOM 711 CB GLN A 251 -3.559 -5.925 -10.566 1.00 0.52 C ATOM 712 CG GLN A 251 -4.690 -6.804 -11.081 1.00 1.28 C ATOM 713 CD GLN A 251 -6.025 -6.081 -11.153 1.00 2.00 C ATOM 714 OE1 GLN A 251 -6.029 -4.799 -10.823 1.00 2.77 O flip ATOM 715 NE2 GLN A 251 -7.044 -6.670 -11.513 1.00 2.59 N flip ATOM 0 H GLN A 251 -3.010 -7.786 -8.953 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.945 -6.973 -11.526 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.809 -5.574 -9.565 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.477 -5.043 -11.201 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -4.431 -7.174 -12.073 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -4.790 -7.674 -10.432 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -7.001 -7.659 -11.759 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -7.931 -6.169 -11.565 1.00 2.59 H new ATOM 724 N GLU A 252 -0.476 -4.977 -10.974 1.00 0.26 N ATOM 725 CA GLU A 252 0.586 -4.057 -10.603 1.00 0.25 C ATOM 726 C GLU A 252 0.067 -2.629 -10.468 1.00 0.27 C ATOM 727 O GLU A 252 -0.763 -2.183 -11.259 1.00 0.32 O ATOM 728 CB GLU A 252 1.726 -4.159 -11.603 1.00 0.32 C ATOM 729 CG GLU A 252 2.300 -5.562 -11.658 1.00 0.60 C ATOM 730 CD GLU A 252 3.435 -5.686 -12.648 1.00 1.05 C ATOM 731 OE1 GLU A 252 3.240 -5.328 -13.827 1.00 1.49 O ATOM 732 OE2 GLU A 252 4.521 -6.156 -12.260 1.00 1.60 O ATOM 0 H GLU A 252 -0.668 -5.032 -11.974 1.00 0.26 H new ATOM 0 HA GLU A 252 0.968 -4.338 -9.622 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.369 -3.873 -12.592 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.512 -3.454 -11.332 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.655 -5.845 -10.667 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.510 -6.264 -11.926 1.00 0.60 H new ATOM 739 N ILE A 253 0.418 -1.994 -9.355 1.00 0.23 N ATOM 740 CA ILE A 253 -0.151 -0.710 -8.983 1.00 0.27 C ATOM 741 C ILE A 253 0.893 0.419 -9.016 1.00 0.28 C ATOM 742 O ILE A 253 1.893 0.414 -8.278 1.00 0.28 O ATOM 743 CB ILE A 253 -0.814 -0.846 -7.591 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.251 -1.332 -7.728 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.754 0.429 -6.776 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.897 -1.640 -6.397 1.00 0.33 C ATOM 0 H ILE A 253 1.102 -2.355 -8.690 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.908 -0.430 -9.716 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.235 -1.589 -7.042 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.838 -0.573 -8.244 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.269 -2.227 -8.351 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.236 0.267 -5.812 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.287 0.712 -6.619 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.270 1.227 -7.310 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.919 -1.982 -6.559 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.330 -2.420 -5.889 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.908 -0.741 -5.781 1.00 0.33 H new ATOM 758 N GLN A 254 0.634 1.395 -9.872 1.00 0.36 N ATOM 759 CA GLN A 254 1.512 2.545 -10.018 1.00 0.43 C ATOM 760 C GLN A 254 1.226 3.579 -8.928 1.00 0.61 C ATOM 761 O GLN A 254 1.346 3.292 -7.738 1.00 1.42 O ATOM 762 CB GLN A 254 1.361 3.178 -11.410 1.00 0.70 C ATOM 763 CG GLN A 254 1.861 2.308 -12.557 1.00 1.00 C ATOM 764 CD GLN A 254 0.919 1.168 -12.896 1.00 1.75 C ATOM 765 OE1 GLN A 254 -0.259 1.384 -13.185 1.00 2.63 O ATOM 766 NE2 GLN A 254 1.433 -0.051 -12.871 1.00 2.21 N ATOM 0 H GLN A 254 -0.184 1.413 -10.481 1.00 0.36 H new ATOM 0 HA GLN A 254 2.541 2.201 -9.911 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.309 3.409 -11.578 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.902 4.124 -11.426 1.00 0.70 H new ATOM 0 HG2 GLN A 254 2.002 2.929 -13.441 1.00 1.00 H new ATOM 0 HG3 GLN A 254 2.837 1.899 -12.296 1.00 1.00 H new ATOM 0 HE21 GLN A 254 2.414 -0.186 -12.626 1.00 2.21 H new ATOM 0 HE22 GLN A 254 0.848 -0.856 -13.096 1.00 2.21 H new ATOM 775 N MET A 255 0.856 4.783 -9.345 1.00 0.59 N ATOM 776 CA MET A 255 0.572 5.872 -8.423 1.00 0.61 C ATOM 777 C MET A 255 -0.219 6.957 -9.139 1.00 0.65 C ATOM 778 O MET A 255 0.013 7.227 -10.319 1.00 0.95 O ATOM 779 CB MET A 255 1.877 6.435 -7.844 1.00 0.95 C ATOM 780 CG MET A 255 2.933 6.734 -8.897 1.00 1.58 C ATOM 781 SD MET A 255 4.579 6.972 -8.196 1.00 2.30 S ATOM 782 CE MET A 255 4.392 8.549 -7.376 1.00 2.61 C ATOM 0 H MET A 255 0.745 5.030 -10.328 1.00 0.59 H new ATOM 0 HA MET A 255 -0.027 5.494 -7.594 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.656 7.350 -7.294 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.283 5.722 -7.127 1.00 0.95 H new ATOM 0 HG2 MET A 255 2.965 5.914 -9.615 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.646 7.630 -9.448 1.00 1.58 H new ATOM 0 HE1 MET A 255 5.237 9.191 -7.624 1.00 2.61 H new ATOM 0 HE2 MET A 255 3.467 9.023 -7.705 1.00 2.61 H new ATOM 0 HE3 MET A 255 4.357 8.396 -6.297 1.00 2.61 H new ATOM 792 N SER A 256 -1.238 7.472 -8.470 1.00 0.57 N ATOM 793 CA SER A 256 -2.154 8.425 -9.079 1.00 0.69 C ATOM 794 C SER A 256 -2.566 9.491 -8.057 1.00 1.00 C ATOM 795 O SER A 256 -1.859 9.725 -7.074 1.00 1.47 O ATOM 796 CB SER A 256 -3.382 7.668 -9.619 1.00 0.76 C ATOM 797 OG SER A 256 -4.248 8.511 -10.360 1.00 1.64 O ATOM 0 H SER A 256 -1.453 7.245 -7.499 1.00 0.57 H new ATOM 0 HA SER A 256 -1.661 8.934 -9.908 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.050 6.845 -10.252 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.931 7.228 -8.786 1.00 0.76 H new ATOM 0 HG SER A 256 -5.012 7.990 -10.685 1.00 1.64 H new ATOM 803 N GLY A 257 -3.703 10.135 -8.290 1.00 1.01 N ATOM 804 CA GLY A 257 -4.168 11.176 -7.394 1.00 1.41 C ATOM 805 C GLY A 257 -5.614 10.978 -6.996 1.00 1.28 C ATOM 806 O GLY A 257 -6.331 11.935 -6.712 1.00 1.69 O ATOM 0 H GLY A 257 -4.313 9.954 -9.087 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.545 11.190 -6.500 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.055 12.147 -7.877 1.00 1.41 H new ATOM 810 N SER A 258 -6.007 9.724 -6.901 1.00 1.07 N ATOM 811 CA SER A 258 -7.347 9.354 -6.475 1.00 0.96 C ATOM 812 C SER A 258 -7.302 7.948 -5.902 1.00 0.74 C ATOM 813 O SER A 258 -7.414 7.751 -4.694 1.00 1.14 O ATOM 814 CB SER A 258 -8.313 9.432 -7.662 1.00 1.08 C ATOM 815 OG SER A 258 -7.729 8.874 -8.831 1.00 1.77 O ATOM 0 H SER A 258 -5.406 8.928 -7.117 1.00 1.07 H new ATOM 0 HA SER A 258 -7.703 10.042 -5.709 1.00 0.96 H new ATOM 0 HB2 SER A 258 -9.234 8.900 -7.422 1.00 1.08 H new ATOM 0 HB3 SER A 258 -8.584 10.471 -7.847 1.00 1.08 H new ATOM 0 HG SER A 258 -8.365 8.934 -9.575 1.00 1.77 H new ATOM 821 N LYS A 259 -6.856 7.028 -6.731 1.00 0.51 N ATOM 822 CA LYS A 259 -6.501 5.705 -6.271 1.00 0.37 C ATOM 823 C LYS A 259 -4.993 5.595 -6.284 1.00 0.33 C ATOM 824 O LYS A 259 -4.350 6.196 -7.144 1.00 0.45 O ATOM 825 CB LYS A 259 -7.106 4.631 -7.175 1.00 0.48 C ATOM 826 CG LYS A 259 -8.589 4.810 -7.431 1.00 1.11 C ATOM 827 CD LYS A 259 -9.126 3.722 -8.342 1.00 1.59 C ATOM 828 CE LYS A 259 -10.565 3.997 -8.733 1.00 2.02 C ATOM 829 NZ LYS A 259 -11.438 4.173 -7.543 1.00 2.41 N ATOM 0 H LYS A 259 -6.731 7.175 -7.733 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.891 5.551 -5.265 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.579 4.634 -8.129 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.940 3.653 -6.723 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -9.128 4.793 -6.484 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.767 5.786 -7.882 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -8.509 3.656 -9.238 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -9.061 2.757 -7.839 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -10.608 4.894 -9.351 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -10.940 3.173 -9.340 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -12.358 3.721 -7.718 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -10.988 3.734 -6.714 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -11.579 5.188 -7.363 1.00 2.41 H new ATOM 843 N TYR A 260 -4.429 4.841 -5.347 1.00 0.24 N ATOM 844 CA TYR A 260 -2.979 4.648 -5.296 1.00 0.27 C ATOM 845 C TYR A 260 -2.260 5.995 -5.171 1.00 0.27 C ATOM 846 O TYR A 260 -1.397 6.333 -5.980 1.00 0.29 O ATOM 847 CB TYR A 260 -2.475 3.902 -6.547 1.00 0.33 C ATOM 848 CG TYR A 260 -3.467 2.911 -7.123 1.00 0.43 C ATOM 849 CD1 TYR A 260 -4.013 1.907 -6.332 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.844 2.968 -8.458 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.906 0.990 -6.855 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.731 2.051 -8.987 1.00 1.11 C ATOM 853 CZ TYR A 260 -5.315 1.119 -8.178 1.00 0.95 C ATOM 854 OH TYR A 260 -6.137 0.151 -8.716 1.00 1.24 O ATOM 0 H TYR A 260 -4.947 4.355 -4.615 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.756 4.043 -4.417 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -2.222 4.633 -7.315 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.556 3.373 -6.295 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.735 1.842 -5.290 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -3.437 3.741 -9.093 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.282 0.183 -6.243 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.963 2.071 -10.042 1.00 1.11 H new ATOM 0 HH TYR A 260 -6.340 0.376 -9.648 1.00 1.24 H new ATOM 864 N ILE A 261 -2.637 6.765 -4.164 1.00 0.26 N ATOM 865 CA ILE A 261 -2.039 8.072 -3.927 1.00 0.27 C ATOM 866 C ILE A 261 -0.743 7.923 -3.136 1.00 0.28 C ATOM 867 O ILE A 261 -0.726 7.313 -2.076 1.00 0.35 O ATOM 868 CB ILE A 261 -2.999 8.985 -3.132 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.332 9.145 -3.873 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.358 10.337 -2.863 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.350 9.972 -3.117 1.00 0.39 C ATOM 0 H ILE A 261 -3.360 6.507 -3.492 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.835 8.523 -4.898 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.202 8.513 -2.171 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -4.146 9.609 -4.842 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.751 8.158 -4.068 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.052 10.963 -2.302 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.445 10.198 -2.284 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -2.117 10.820 -3.810 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.268 10.043 -3.701 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.565 9.498 -2.159 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.951 10.972 -2.945 1.00 0.39 H new ATOM 883 N PHE A 262 0.337 8.480 -3.651 1.00 0.30 N ATOM 884 CA PHE A 262 1.617 8.402 -2.965 1.00 0.32 C ATOM 885 C PHE A 262 1.655 9.357 -1.772 1.00 0.30 C ATOM 886 O PHE A 262 1.192 10.499 -1.854 1.00 0.37 O ATOM 887 CB PHE A 262 2.766 8.688 -3.938 1.00 0.46 C ATOM 888 CG PHE A 262 2.690 10.033 -4.611 1.00 0.63 C ATOM 889 CD1 PHE A 262 1.928 10.209 -5.756 1.00 0.84 C ATOM 890 CD2 PHE A 262 3.383 11.118 -4.100 1.00 0.87 C ATOM 891 CE1 PHE A 262 1.856 11.440 -6.375 1.00 1.09 C ATOM 892 CE2 PHE A 262 3.314 12.352 -4.714 1.00 1.13 C ATOM 893 CZ PHE A 262 2.552 12.514 -5.855 1.00 1.18 C ATOM 0 H PHE A 262 0.356 8.988 -4.535 1.00 0.30 H new ATOM 0 HA PHE A 262 1.741 7.389 -2.583 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.710 8.619 -3.397 1.00 0.46 H new ATOM 0 HB3 PHE A 262 2.779 7.912 -4.704 1.00 0.46 H new ATOM 0 HD1 PHE A 262 1.384 9.372 -6.168 1.00 0.84 H new ATOM 0 HD2 PHE A 262 3.984 10.997 -3.211 1.00 0.87 H new ATOM 0 HE1 PHE A 262 1.256 11.564 -7.265 1.00 1.09 H new ATOM 0 HE2 PHE A 262 3.856 13.191 -4.303 1.00 1.13 H new ATOM 0 HZ PHE A 262 2.501 13.478 -6.339 1.00 1.18 H new ATOM 903 N GLU A 263 2.152 8.865 -0.650 1.00 0.26 N ATOM 904 CA GLU A 263 2.218 9.637 0.580 1.00 0.30 C ATOM 905 C GLU A 263 3.525 9.330 1.302 1.00 0.28 C ATOM 906 O GLU A 263 4.032 8.205 1.232 1.00 0.33 O ATOM 907 CB GLU A 263 1.007 9.313 1.466 1.00 0.37 C ATOM 908 CG GLU A 263 1.068 9.903 2.869 1.00 0.56 C ATOM 909 CD GLU A 263 1.018 11.416 2.890 1.00 1.07 C ATOM 910 OE1 GLU A 263 1.991 12.061 2.447 1.00 1.73 O ATOM 911 OE2 GLU A 263 -0.002 11.967 3.355 1.00 1.79 O ATOM 0 H GLU A 263 2.522 7.918 -0.566 1.00 0.26 H new ATOM 0 HA GLU A 263 2.192 10.702 0.349 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.106 9.677 0.973 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.912 8.230 1.546 1.00 0.37 H new ATOM 0 HG2 GLU A 263 0.237 9.512 3.456 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.985 9.571 3.355 1.00 0.56 H new ATOM 918 N SER A 264 4.115 10.352 1.893 1.00 0.34 N ATOM 919 CA SER A 264 5.422 10.224 2.506 1.00 0.36 C ATOM 920 C SER A 264 5.450 10.879 3.883 1.00 0.34 C ATOM 921 O SER A 264 5.103 12.052 4.028 1.00 0.39 O ATOM 922 CB SER A 264 6.464 10.877 1.599 1.00 0.46 C ATOM 923 OG SER A 264 6.333 10.423 0.258 1.00 1.41 O ATOM 0 H SER A 264 3.707 11.284 1.961 1.00 0.34 H new ATOM 0 HA SER A 264 5.648 9.165 2.633 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.351 11.961 1.632 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.464 10.650 1.967 1.00 0.46 H new ATOM 0 HG SER A 264 7.010 10.857 -0.302 1.00 1.41 H new ATOM 929 N ILE A 265 5.905 10.133 4.883 1.00 0.31 N ATOM 930 CA ILE A 265 6.036 10.657 6.236 1.00 0.34 C ATOM 931 C ILE A 265 7.411 10.313 6.798 1.00 0.38 C ATOM 932 O ILE A 265 7.635 9.195 7.279 1.00 0.42 O ATOM 933 CB ILE A 265 4.949 10.093 7.178 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.555 10.364 6.608 1.00 0.82 C ATOM 935 CG2 ILE A 265 5.081 10.702 8.568 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.434 9.789 7.445 1.00 1.31 C ATOM 0 H ILE A 265 6.190 9.159 4.781 1.00 0.31 H new ATOM 0 HA ILE A 265 5.913 11.739 6.180 1.00 0.34 H new ATOM 0 HB ILE A 265 5.087 9.015 7.258 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.413 11.441 6.516 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.496 9.948 5.602 1.00 0.82 H new ATOM 0 HG21 ILE A 265 4.308 10.294 9.219 1.00 0.73 H new ATOM 0 HG22 ILE A 265 6.063 10.464 8.978 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.967 11.784 8.503 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.476 10.021 6.979 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.551 8.708 7.516 1.00 1.31 H new ATOM 0 HD13 ILE A 265 2.466 10.224 8.444 1.00 1.31 H new ATOM 948 N GLY A 266 8.350 11.237 6.648 1.00 0.48 N ATOM 949 CA GLY A 266 9.713 10.971 7.049 1.00 0.65 C ATOM 950 C GLY A 266 10.292 9.809 6.275 1.00 0.86 C ATOM 951 O GLY A 266 10.255 9.797 5.042 1.00 1.93 O ATOM 0 H GLY A 266 8.190 12.165 6.256 1.00 0.48 H new ATOM 0 HA2 GLY A 266 10.323 11.860 6.887 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.745 10.753 8.116 1.00 0.65 H new ATOM 955 N ALA A 267 10.704 8.781 6.995 1.00 0.48 N ATOM 956 CA ALA A 267 11.168 7.554 6.372 1.00 0.39 C ATOM 957 C ALA A 267 9.989 6.701 5.924 1.00 0.30 C ATOM 958 O ALA A 267 10.123 5.855 5.043 1.00 0.32 O ATOM 959 CB ALA A 267 12.051 6.768 7.327 1.00 0.44 C ATOM 0 H ALA A 267 10.727 8.772 8.015 1.00 0.48 H new ATOM 0 HA ALA A 267 11.757 7.821 5.495 1.00 0.39 H new ATOM 0 HB1 ALA A 267 12.388 5.852 6.841 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.916 7.372 7.603 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.484 6.515 8.223 1.00 0.44 H new ATOM 965 N LYS A 268 8.857 6.880 6.589 1.00 0.26 N ATOM 966 CA LYS A 268 7.672 6.081 6.311 1.00 0.25 C ATOM 967 C LYS A 268 7.015 6.495 5.000 1.00 0.29 C ATOM 968 O LYS A 268 6.867 7.683 4.706 1.00 0.47 O ATOM 969 CB LYS A 268 6.675 6.193 7.464 1.00 0.28 C ATOM 970 CG LYS A 268 7.119 5.457 8.719 1.00 0.30 C ATOM 971 CD LYS A 268 6.229 5.790 9.904 1.00 0.41 C ATOM 972 CE LYS A 268 6.440 7.221 10.377 1.00 1.20 C ATOM 973 NZ LYS A 268 7.804 7.424 10.933 1.00 2.00 N ATOM 0 H LYS A 268 8.734 7.573 7.327 1.00 0.26 H new ATOM 0 HA LYS A 268 7.986 5.042 6.212 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.524 7.246 7.703 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.712 5.798 7.141 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.099 4.382 8.538 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.150 5.722 8.952 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.184 5.648 9.627 1.00 0.41 H new ATOM 0 HD3 LYS A 268 6.438 5.101 10.722 1.00 0.41 H new ATOM 0 HE2 LYS A 268 6.281 7.906 9.544 1.00 1.20 H new ATOM 0 HE3 LYS A 268 5.698 7.466 11.137 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 7.823 8.298 11.497 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 8.056 6.616 11.538 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.489 7.500 10.154 1.00 2.00 H new ATOM 987 N ARG A 269 6.580 5.506 4.234 1.00 0.16 N ATOM 988 CA ARG A 269 5.895 5.763 2.978 1.00 0.16 C ATOM 989 C ARG A 269 4.497 5.184 3.007 1.00 0.18 C ATOM 990 O ARG A 269 4.191 4.325 3.831 1.00 0.17 O ATOM 991 CB ARG A 269 6.698 5.227 1.787 1.00 0.20 C ATOM 992 CG ARG A 269 7.104 6.311 0.797 1.00 0.53 C ATOM 993 CD ARG A 269 8.018 7.343 1.441 1.00 0.79 C ATOM 994 NE ARG A 269 8.565 8.280 0.463 1.00 0.69 N ATOM 995 CZ ARG A 269 9.339 9.320 0.778 1.00 0.97 C ATOM 996 NH1 ARG A 269 9.647 9.565 2.047 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.796 10.120 -0.174 1.00 1.17 N ATOM 0 H ARG A 269 6.690 4.518 4.461 1.00 0.16 H new ATOM 0 HA ARG A 269 5.810 6.842 2.852 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.594 4.728 2.157 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.105 4.474 1.268 1.00 0.20 H new ATOM 0 HG2 ARG A 269 7.611 5.856 -0.054 1.00 0.53 H new ATOM 0 HG3 ARG A 269 6.212 6.804 0.411 1.00 0.53 H new ATOM 0 HD2 ARG A 269 7.463 7.895 2.200 1.00 0.79 H new ATOM 0 HD3 ARG A 269 8.836 6.834 1.951 1.00 0.79 H new ATOM 0 HE ARG A 269 8.342 8.130 -0.521 1.00 0.69 H new ATOM 0 HH11 ARG A 269 9.291 8.957 2.785 1.00 1.85 H new ATOM 0 HH12 ARG A 269 10.239 10.361 2.284 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.556 9.941 -1.149 1.00 1.17 H new ATOM 0 HH22 ARG A 269 10.388 10.915 0.068 1.00 1.17 H new ATOM 1011 N THR A 270 3.594 5.838 2.314 1.00 0.18 N ATOM 1012 CA THR A 270 2.200 5.477 2.388 1.00 0.18 C ATOM 1013 C THR A 270 1.544 5.475 1.016 1.00 0.19 C ATOM 1014 O THR A 270 1.705 6.417 0.239 1.00 0.22 O ATOM 1015 CB THR A 270 1.447 6.438 3.322 1.00 0.20 C ATOM 1016 OG1 THR A 270 2.023 6.387 4.634 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.024 6.087 3.401 1.00 0.24 C ATOM 0 H THR A 270 3.800 6.621 1.694 1.00 0.18 H new ATOM 0 HA THR A 270 2.147 4.465 2.789 1.00 0.18 H new ATOM 0 HB THR A 270 1.537 7.446 2.916 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.542 7.002 5.227 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.529 6.785 4.069 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.467 6.151 2.407 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.136 5.073 3.784 1.00 0.24 H new ATOM 1025 N LEU A 271 0.724 4.469 0.769 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.099 4.453 -0.420 1.00 0.17 C ATOM 1027 C LEU A 271 -1.529 4.797 -0.023 1.00 0.16 C ATOM 1028 O LEU A 271 -2.269 3.940 0.441 1.00 0.17 O ATOM 1029 CB LEU A 271 -0.041 3.071 -1.075 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.587 2.958 -2.504 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -2.095 2.771 -2.508 1.00 0.56 C ATOM 1032 CD2 LEU A 271 -0.186 4.174 -3.322 1.00 0.49 C ATOM 0 H LEU A 271 0.613 3.657 1.376 1.00 0.17 H new ATOM 0 HA LEU A 271 0.266 5.186 -1.140 1.00 0.17 H new ATOM 0 HB2 LEU A 271 0.998 2.742 -1.082 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.592 2.373 -0.445 1.00 0.20 H new ATOM 0 HG LEU A 271 -0.148 2.073 -2.964 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.449 2.694 -3.536 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.350 1.859 -1.967 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.569 3.625 -2.023 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.581 4.079 -4.333 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.590 5.074 -2.858 1.00 0.49 H new ATOM 0 HD23 LEU A 271 0.901 4.243 -3.362 1.00 0.49 H new ATOM 1044 N THR A 272 -1.921 6.034 -0.209 1.00 0.18 N ATOM 1045 CA THR A 272 -3.261 6.453 0.148 1.00 0.21 C ATOM 1046 C THR A 272 -4.235 6.065 -0.953 1.00 0.22 C ATOM 1047 O THR A 272 -4.133 6.530 -2.079 1.00 0.29 O ATOM 1048 CB THR A 272 -3.316 7.973 0.395 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.286 8.345 1.319 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.667 8.388 0.955 1.00 0.30 C ATOM 0 H THR A 272 -1.335 6.769 -0.604 1.00 0.18 H new ATOM 0 HA THR A 272 -3.545 5.949 1.072 1.00 0.21 H new ATOM 0 HB THR A 272 -3.166 8.480 -0.558 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.320 9.312 1.475 1.00 0.33 H new ATOM 0 HG21 THR A 272 -4.677 9.465 1.120 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.452 8.122 0.247 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.842 7.875 1.901 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.130 5.153 -0.658 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.054 4.686 -1.661 1.00 0.26 C ATOM 1060 C ILE A 273 -7.452 5.201 -1.372 1.00 0.28 C ATOM 1061 O ILE A 273 -7.945 5.102 -0.240 1.00 0.27 O ATOM 1062 CB ILE A 273 -6.028 3.142 -1.780 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.881 2.756 -3.242 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.273 2.489 -1.186 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -5.819 1.270 -3.465 1.00 0.86 C ATOM 0 H ILE A 273 -5.237 4.723 0.261 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.740 5.084 -2.626 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.176 2.777 -1.206 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -6.720 3.165 -3.804 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -4.976 3.214 -3.642 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.204 1.407 -1.296 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.347 2.743 -0.129 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.158 2.851 -1.709 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.714 1.066 -4.531 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -4.963 0.857 -2.931 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.735 0.808 -3.096 1.00 0.86 H new ATOM 1077 N SER A 274 -8.055 5.833 -2.366 1.00 0.33 N ATOM 1078 CA SER A 274 -9.370 6.398 -2.196 1.00 0.39 C ATOM 1079 C SER A 274 -10.332 5.797 -3.210 1.00 0.45 C ATOM 1080 O SER A 274 -9.921 5.404 -4.303 1.00 0.50 O ATOM 1081 CB SER A 274 -9.334 7.924 -2.318 1.00 0.52 C ATOM 1082 OG SER A 274 -10.494 8.507 -1.745 1.00 1.13 O ATOM 0 H SER A 274 -7.651 5.964 -3.293 1.00 0.33 H new ATOM 0 HA SER A 274 -9.722 6.155 -1.194 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.445 8.311 -1.821 1.00 0.52 H new ATOM 0 HB3 SER A 274 -9.261 8.207 -3.368 1.00 0.52 H new ATOM 0 HG SER A 274 -10.448 9.482 -1.833 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.592 5.654 -2.799 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.616 5.014 -3.623 1.00 0.62 C ATOM 1090 C GLN A 275 -12.216 3.574 -3.920 1.00 0.62 C ATOM 1091 O GLN A 275 -12.216 3.128 -5.066 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.853 5.798 -4.914 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.351 7.218 -4.680 1.00 0.90 C ATOM 1094 CD GLN A 275 -14.744 7.265 -4.077 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -14.978 6.800 -2.956 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -15.684 7.817 -4.823 1.00 2.27 N ATOM 0 H GLN A 275 -11.929 5.976 -1.892 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.555 5.008 -3.070 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.924 5.836 -5.482 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.579 5.263 -5.526 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -12.657 7.736 -4.019 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -13.352 7.758 -5.627 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -15.451 8.190 -5.743 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -16.643 7.870 -4.479 1.00 2.27 H new ATOM 1105 N CYS A 276 -11.887 2.866 -2.854 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.492 1.466 -2.919 1.00 0.69 C ATOM 1107 C CYS A 276 -12.095 0.772 -1.725 1.00 0.75 C ATOM 1108 O CYS A 276 -11.408 0.382 -0.782 1.00 1.27 O ATOM 1109 CB CYS A 276 -9.967 1.325 -2.929 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.165 2.045 -4.382 1.00 2.00 S ATOM 0 H CYS A 276 -11.886 3.249 -1.909 1.00 0.60 H new ATOM 0 HA CYS A 276 -11.852 1.012 -3.842 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.564 1.798 -2.034 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.711 0.267 -2.873 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.425 3.318 -4.435 1.00 2.00 H new ATOM 1116 N SER A 277 -13.402 0.871 -1.673 1.00 0.54 N ATOM 1117 CA SER A 277 -14.157 0.468 -0.525 1.00 0.52 C ATOM 1118 C SER A 277 -14.594 -0.992 -0.650 1.00 0.48 C ATOM 1119 O SER A 277 -13.762 -1.863 -0.915 1.00 0.47 O ATOM 1120 CB SER A 277 -15.346 1.406 -0.378 1.00 0.56 C ATOM 1121 OG SER A 277 -15.968 1.627 -1.630 1.00 0.63 O ATOM 0 H SER A 277 -13.970 1.238 -2.436 1.00 0.54 H new ATOM 0 HA SER A 277 -13.541 0.533 0.372 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.066 0.981 0.321 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.016 2.356 0.042 1.00 0.56 H new ATOM 0 HG SER A 277 -16.731 2.231 -1.514 1.00 0.63 H new ATOM 1127 N LEU A 278 -15.890 -1.255 -0.458 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.427 -2.611 -0.523 1.00 0.54 C ATOM 1129 C LEU A 278 -16.423 -3.145 -1.958 1.00 0.58 C ATOM 1130 O LEU A 278 -17.476 -3.412 -2.538 1.00 0.71 O ATOM 1131 CB LEU A 278 -17.850 -2.658 0.047 1.00 0.63 C ATOM 1132 CG LEU A 278 -17.960 -2.923 1.555 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.469 -4.321 1.895 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.186 -1.884 2.349 1.00 0.79 C ATOM 0 H LEU A 278 -16.588 -0.539 -0.255 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.781 -3.248 0.081 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.340 -1.709 -0.172 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.406 -3.433 -0.480 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.012 -2.849 1.830 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.556 -4.486 2.969 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.072 -5.058 1.364 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.426 -4.423 1.596 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.281 -2.095 3.414 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.134 -1.918 2.064 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.587 -0.892 2.139 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.239 -3.239 -2.542 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.076 -3.688 -3.915 1.00 0.61 C ATOM 1148 C ALA A 279 -13.638 -4.126 -4.157 1.00 0.58 C ATOM 1149 O ALA A 279 -13.389 -5.206 -4.691 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.462 -2.580 -4.884 1.00 0.71 C ATOM 0 H ALA A 279 -14.362 -3.006 -2.076 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.734 -4.540 -4.084 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.335 -2.931 -5.908 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.504 -2.302 -4.723 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -14.825 -1.712 -4.716 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.695 -3.300 -3.714 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.271 -3.604 -3.858 1.00 0.59 C ATOM 1158 C ASP A 280 -10.782 -4.532 -2.753 1.00 0.50 C ATOM 1159 O ASP A 280 -9.602 -4.883 -2.705 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.442 -2.321 -3.873 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.421 -1.667 -5.239 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -9.968 -2.316 -6.207 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -10.836 -0.501 -5.355 1.00 1.84 O ATOM 0 H ASP A 280 -12.890 -2.412 -3.251 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.143 -4.117 -4.811 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -10.848 -1.620 -3.143 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.421 -2.547 -3.565 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.710 -4.941 -1.891 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.435 -5.895 -0.811 1.00 0.33 C ATOM 1170 C ASP A 281 -10.714 -7.131 -1.359 1.00 0.34 C ATOM 1171 O ASP A 281 -11.289 -7.883 -2.153 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.763 -6.318 -0.171 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.591 -7.157 1.082 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -12.243 -6.594 2.135 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -12.810 -8.388 1.022 1.00 0.81 O ATOM 0 H ASP A 281 -12.678 -4.621 -1.919 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.795 -5.420 -0.068 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.339 -5.426 0.075 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.345 -6.882 -0.900 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.443 -7.298 -0.986 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.610 -8.382 -1.520 1.00 0.37 C ATOM 1182 C ALA A 282 -7.235 -8.392 -0.847 1.00 0.35 C ATOM 1183 O ALA A 282 -7.141 -8.631 0.354 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.470 -8.249 -3.031 1.00 0.48 C ATOM 0 H ALA A 282 -8.966 -6.696 -0.315 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.099 -9.331 -1.302 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.849 -9.060 -3.412 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.456 -8.298 -3.493 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.004 -7.293 -3.271 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.172 -8.116 -1.610 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.824 -8.016 -1.045 1.00 0.17 C ATOM 1192 C ALA A 283 -3.974 -7.043 -1.856 1.00 0.15 C ATOM 1193 O ALA A 283 -3.887 -7.158 -3.071 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.153 -9.382 -0.978 1.00 0.22 C ATOM 0 H ALA A 283 -6.219 -7.959 -2.617 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.914 -7.635 -0.028 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.154 -9.276 -0.555 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.745 -10.048 -0.350 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.079 -9.801 -1.982 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.306 -6.117 -1.186 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.429 -5.177 -1.875 1.00 0.13 C ATOM 1202 C TYR A 284 -0.983 -5.347 -1.424 1.00 0.14 C ATOM 1203 O TYR A 284 -0.645 -5.137 -0.264 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.895 -3.718 -1.688 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.077 -3.346 -2.570 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.050 -4.285 -2.893 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.204 -2.069 -3.111 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.109 -3.969 -3.718 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.260 -1.755 -3.942 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.207 -2.704 -4.240 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.252 -2.384 -5.072 1.00 0.41 O ATOM 0 H TYR A 284 -3.352 -5.995 -0.174 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.483 -5.404 -2.940 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.166 -3.562 -0.644 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.063 -3.048 -1.905 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.975 -5.284 -2.489 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.467 -1.315 -2.877 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.856 -4.713 -3.952 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.342 -0.762 -4.358 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.172 -1.448 -5.352 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.133 -5.693 -2.373 1.00 0.13 N ATOM 1222 CA GLN A 285 1.292 -5.832 -2.139 1.00 0.13 C ATOM 1223 C GLN A 285 1.990 -4.476 -2.235 1.00 0.12 C ATOM 1224 O GLN A 285 1.467 -3.541 -2.838 1.00 0.13 O ATOM 1225 CB GLN A 285 1.922 -6.795 -3.153 1.00 0.12 C ATOM 1226 CG GLN A 285 1.296 -8.177 -3.196 1.00 0.15 C ATOM 1227 CD GLN A 285 0.175 -8.308 -4.208 1.00 0.21 C ATOM 1228 OE1 GLN A 285 0.022 -7.322 -5.075 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.532 -9.314 -4.233 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.414 -5.887 -3.334 1.00 0.13 H new ATOM 0 HA GLN A 285 1.422 -6.235 -1.135 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.854 -6.350 -4.146 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.982 -6.899 -2.923 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.070 -8.909 -3.427 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.910 -8.422 -2.206 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.387 -10.056 -3.549 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.263 -9.406 -4.938 1.00 0.18 H new ATOM 1238 N CYS A 286 3.184 -4.395 -1.676 1.00 0.14 N ATOM 1239 CA CYS A 286 3.985 -3.179 -1.737 1.00 0.19 C ATOM 1240 C CYS A 286 5.249 -3.411 -2.508 1.00 0.19 C ATOM 1241 O CYS A 286 5.723 -4.538 -2.556 1.00 0.20 O ATOM 1242 CB CYS A 286 4.340 -2.723 -0.361 1.00 0.28 C ATOM 1243 SG CYS A 286 5.153 -3.972 0.666 1.00 1.00 S ATOM 0 H CYS A 286 3.626 -5.162 -1.170 1.00 0.14 H new ATOM 0 HA CYS A 286 3.391 -2.415 -2.239 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.994 -1.855 -0.439 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.432 -2.394 0.143 1.00 0.28 H new ATOM 0 HG CYS A 286 6.270 -4.333 0.108 1.00 1.00 H new ATOM 1249 N VAL A 287 5.652 -2.429 -3.308 1.00 0.20 N ATOM 1250 CA VAL A 287 6.708 -2.681 -4.263 1.00 0.21 C ATOM 1251 C VAL A 287 7.624 -1.469 -4.492 1.00 0.22 C ATOM 1252 O VAL A 287 7.188 -0.326 -4.620 1.00 0.24 O ATOM 1253 CB VAL A 287 6.102 -3.216 -5.592 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.616 -3.495 -5.402 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.330 -2.279 -6.768 1.00 0.27 C ATOM 0 H VAL A 287 5.273 -1.482 -3.312 1.00 0.20 H new ATOM 0 HA VAL A 287 7.356 -3.448 -3.838 1.00 0.21 H new ATOM 0 HB VAL A 287 6.621 -4.142 -5.837 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.194 -3.870 -6.335 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.483 -4.241 -4.618 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.106 -2.574 -5.117 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.884 -2.707 -7.666 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.869 -1.314 -6.559 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.400 -2.144 -6.923 1.00 0.27 H new ATOM 1265 N VAL A 288 8.911 -1.738 -4.577 1.00 0.24 N ATOM 1266 CA VAL A 288 9.879 -0.705 -4.893 1.00 0.26 C ATOM 1267 C VAL A 288 10.897 -1.253 -5.883 1.00 0.33 C ATOM 1268 O VAL A 288 11.566 -2.254 -5.603 1.00 0.37 O ATOM 1269 CB VAL A 288 10.606 -0.172 -3.636 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.819 0.642 -4.030 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.677 0.684 -2.792 1.00 0.36 C ATOM 0 H VAL A 288 9.312 -2.664 -4.432 1.00 0.24 H new ATOM 0 HA VAL A 288 9.336 0.133 -5.331 1.00 0.26 H new ATOM 0 HB VAL A 288 10.924 -1.033 -3.048 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.318 1.009 -3.133 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.508 0.017 -4.598 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.506 1.487 -4.643 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.213 1.046 -1.915 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.329 1.533 -3.381 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.821 0.088 -2.474 1.00 0.36 H new ATOM 1281 N GLY A 289 10.950 -0.643 -7.062 1.00 0.43 N ATOM 1282 CA GLY A 289 11.848 -1.098 -8.115 1.00 0.57 C ATOM 1283 C GLY A 289 11.364 -2.360 -8.811 1.00 0.73 C ATOM 1284 O GLY A 289 11.467 -2.488 -10.033 1.00 1.51 O ATOM 0 H GLY A 289 10.382 0.167 -7.312 1.00 0.43 H new ATOM 0 HA2 GLY A 289 11.963 -0.305 -8.854 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.834 -1.281 -7.688 1.00 0.57 H new ATOM 1288 N GLY A 290 10.871 -3.303 -8.026 1.00 0.41 N ATOM 1289 CA GLY A 290 10.417 -4.577 -8.553 1.00 0.41 C ATOM 1290 C GLY A 290 9.963 -5.508 -7.446 1.00 0.37 C ATOM 1291 O GLY A 290 9.028 -6.290 -7.623 1.00 0.64 O ATOM 0 H GLY A 290 10.775 -3.208 -7.015 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.595 -4.411 -9.250 1.00 0.41 H new ATOM 0 HA3 GLY A 290 11.223 -5.047 -9.117 1.00 0.41 H new ATOM 1295 N GLU A 291 10.611 -5.385 -6.292 1.00 0.27 N ATOM 1296 CA GLU A 291 10.286 -6.179 -5.116 1.00 0.22 C ATOM 1297 C GLU A 291 8.852 -5.916 -4.673 1.00 0.16 C ATOM 1298 O GLU A 291 8.462 -4.764 -4.554 1.00 0.19 O ATOM 1299 CB GLU A 291 11.257 -5.801 -3.988 1.00 0.26 C ATOM 1300 CG GLU A 291 12.673 -6.302 -4.215 1.00 0.53 C ATOM 1301 CD GLU A 291 13.686 -5.648 -3.296 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.306 -4.736 -2.530 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.879 -6.015 -3.364 1.00 2.11 O ATOM 0 H GLU A 291 11.379 -4.729 -6.147 1.00 0.27 H new ATOM 0 HA GLU A 291 10.380 -7.238 -5.355 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.276 -4.716 -3.884 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.883 -6.205 -3.047 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.699 -7.381 -4.066 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.957 -6.116 -5.251 1.00 0.53 H new ATOM 1310 N LYS A 292 8.088 -6.977 -4.397 1.00 0.18 N ATOM 1311 CA LYS A 292 6.715 -6.837 -3.912 1.00 0.16 C ATOM 1312 C LYS A 292 6.463 -7.713 -2.686 1.00 0.17 C ATOM 1313 O LYS A 292 7.022 -8.801 -2.555 1.00 0.29 O ATOM 1314 CB LYS A 292 5.700 -7.147 -5.009 1.00 0.18 C ATOM 1315 CG LYS A 292 5.955 -8.432 -5.767 1.00 0.23 C ATOM 1316 CD LYS A 292 4.923 -8.598 -6.862 1.00 0.29 C ATOM 1317 CE LYS A 292 5.329 -9.653 -7.874 1.00 0.49 C ATOM 1318 NZ LYS A 292 4.388 -9.689 -9.023 1.00 1.33 N ATOM 0 H LYS A 292 8.399 -7.943 -4.502 1.00 0.18 H new ATOM 0 HA LYS A 292 6.585 -5.796 -3.616 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.707 -7.197 -4.562 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.689 -6.320 -5.718 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.956 -8.418 -6.198 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.914 -9.281 -5.085 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.965 -8.871 -6.419 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.778 -7.645 -7.371 1.00 0.29 H new ATOM 0 HE2 LYS A 292 6.337 -9.447 -8.233 1.00 0.49 H new ATOM 0 HE3 LYS A 292 5.356 -10.631 -7.393 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 4.692 -10.420 -9.698 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 3.431 -9.910 -8.681 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 4.382 -8.763 -9.496 1.00 1.33 H new ATOM 1332 N CYS A 293 5.685 -7.175 -1.757 1.00 0.16 N ATOM 1333 CA CYS A 293 5.350 -7.850 -0.506 1.00 0.18 C ATOM 1334 C CYS A 293 3.862 -7.740 -0.258 1.00 0.15 C ATOM 1335 O CYS A 293 3.306 -6.650 -0.329 1.00 0.14 O ATOM 1336 CB CYS A 293 6.122 -7.225 0.646 1.00 0.28 C ATOM 1337 SG CYS A 293 7.854 -7.702 0.663 1.00 1.55 S ATOM 0 H CYS A 293 5.264 -6.250 -1.849 1.00 0.16 H new ATOM 0 HA CYS A 293 5.625 -8.902 -0.578 1.00 0.18 H new ATOM 0 HB2 CYS A 293 6.049 -6.139 0.579 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.660 -7.518 1.589 1.00 0.28 H new ATOM 0 HG CYS A 293 8.451 -7.133 1.668 1.00 1.55 H new ATOM 1343 N SER A 294 3.197 -8.875 -0.123 1.00 0.17 N ATOM 1344 CA SER A 294 1.749 -8.882 -0.099 1.00 0.18 C ATOM 1345 C SER A 294 1.190 -8.530 1.266 1.00 0.17 C ATOM 1346 O SER A 294 1.741 -8.899 2.305 1.00 0.20 O ATOM 1347 CB SER A 294 1.196 -10.234 -0.573 1.00 0.27 C ATOM 1348 OG SER A 294 1.581 -11.288 0.290 1.00 0.61 O ATOM 0 H SER A 294 3.633 -9.792 -0.029 1.00 0.17 H new ATOM 0 HA SER A 294 1.422 -8.107 -0.792 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.108 -10.185 -0.625 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.554 -10.440 -1.582 1.00 0.27 H new ATOM 0 HG SER A 294 1.211 -12.133 -0.040 1.00 0.61 H new ATOM 1354 N THR A 295 0.085 -7.822 1.234 1.00 0.17 N ATOM 1355 CA THR A 295 -0.634 -7.441 2.424 1.00 0.15 C ATOM 1356 C THR A 295 -2.124 -7.525 2.111 1.00 0.15 C ATOM 1357 O THR A 295 -2.543 -7.121 1.031 1.00 0.15 O ATOM 1358 CB THR A 295 -0.230 -6.012 2.874 1.00 0.18 C ATOM 1359 OG1 THR A 295 0.166 -6.029 4.248 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.355 -5.003 2.678 1.00 0.20 C ATOM 0 H THR A 295 -0.344 -7.491 0.370 1.00 0.17 H new ATOM 0 HA THR A 295 -0.391 -8.111 3.249 1.00 0.15 H new ATOM 0 HB THR A 295 0.605 -5.699 2.247 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.084 -5.181 4.671 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.022 -4.019 3.008 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.625 -4.960 1.623 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.223 -5.308 3.263 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.892 -8.219 2.933 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.288 -8.440 2.597 1.00 0.15 C ATOM 1370 C GLU A 296 -5.098 -7.181 2.856 1.00 0.14 C ATOM 1371 O GLU A 296 -4.786 -6.393 3.751 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.859 -9.639 3.348 1.00 0.18 C ATOM 1373 CG GLU A 296 -3.987 -10.870 3.220 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.643 -12.126 3.753 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.056 -12.137 4.931 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -4.724 -13.120 3.002 1.00 0.96 O ATOM 0 H GLU A 296 -2.584 -8.629 3.815 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.352 -8.672 1.534 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.971 -9.384 4.402 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.856 -9.862 2.967 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.732 -11.019 2.171 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.052 -10.702 3.754 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.049 -6.931 1.985 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.840 -5.729 2.048 1.00 0.15 C ATOM 1385 C LEU A 297 -8.277 -6.057 2.405 1.00 0.15 C ATOM 1386 O LEU A 297 -9.023 -6.601 1.585 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.790 -5.002 0.706 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.518 -3.667 0.681 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.944 -2.750 1.750 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.407 -3.038 -0.696 1.00 0.29 C ATOM 0 H LEU A 297 -6.293 -7.555 1.216 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.428 -5.082 2.822 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.747 -4.837 0.436 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.219 -5.649 -0.059 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.575 -3.826 0.895 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.468 -1.794 1.729 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.069 -3.211 2.730 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.884 -2.587 1.558 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.932 -2.083 -0.703 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.357 -2.877 -0.939 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.853 -3.702 -1.436 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.680 -5.638 3.593 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.051 -5.797 4.041 1.00 0.19 C ATOM 1404 C PHE A 298 -10.706 -4.432 4.131 1.00 0.19 C ATOM 1405 O PHE A 298 -10.091 -3.478 4.590 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.108 -6.488 5.410 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.632 -7.914 5.409 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.296 -8.220 5.198 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.525 -8.952 5.622 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.863 -9.532 5.201 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.098 -10.263 5.625 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.765 -10.555 5.414 1.00 0.45 C ATOM 0 H PHE A 298 -8.069 -5.181 4.270 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.582 -6.422 3.323 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.505 -5.917 6.116 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.135 -6.461 5.774 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.586 -7.424 5.029 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.569 -8.731 5.788 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.820 -9.757 5.037 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.806 -11.061 5.792 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.429 -11.581 5.416 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.922 -4.312 3.652 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.607 -3.038 3.705 1.00 0.28 C ATOM 1424 C VAL A 299 -13.798 -3.092 4.653 1.00 0.32 C ATOM 1425 O VAL A 299 -14.541 -4.075 4.689 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.056 -2.557 2.311 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -13.965 -3.566 1.641 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.726 -1.201 2.419 1.00 0.35 C ATOM 0 H VAL A 299 -12.454 -5.070 3.225 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.887 -2.314 4.087 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.171 -2.458 1.683 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.262 -3.194 0.661 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.436 -4.512 1.525 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.853 -3.720 2.255 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.039 -0.870 1.429 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.598 -1.277 3.069 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.023 -0.480 2.837 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.947 -2.039 5.440 1.00 0.33 N ATOM 1439 CA LYS A 300 -15.027 -1.934 6.393 1.00 0.41 C ATOM 1440 C LYS A 300 -15.994 -0.852 5.973 1.00 0.40 C ATOM 1441 O LYS A 300 -15.587 0.272 5.673 1.00 0.37 O ATOM 1442 CB LYS A 300 -14.466 -1.638 7.782 1.00 0.48 C ATOM 1443 CG LYS A 300 -13.890 -2.865 8.469 1.00 1.17 C ATOM 1444 CD LYS A 300 -13.523 -2.589 9.916 1.00 1.72 C ATOM 1445 CE LYS A 300 -14.760 -2.327 10.759 1.00 2.32 C ATOM 1446 NZ LYS A 300 -14.426 -2.161 12.198 1.00 3.03 N ATOM 0 H LYS A 300 -13.319 -1.235 5.432 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.565 -2.882 6.425 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.689 -0.878 7.699 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -15.257 -1.219 8.404 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -14.616 -3.677 8.428 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -13.005 -3.201 7.929 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -12.976 -3.439 10.323 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -12.857 -1.728 9.967 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -15.262 -1.430 10.397 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -15.461 -3.154 10.642 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -15.297 -1.984 12.738 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -13.970 -3.026 12.551 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -13.778 -1.356 12.313 1.00 3.03 H new ATOM 1460 N GLU A 301 -17.272 -1.195 5.968 1.00 0.50 N ATOM 1461 CA GLU A 301 -18.314 -0.252 5.606 1.00 0.57 C ATOM 1462 C GLU A 301 -18.360 0.895 6.614 1.00 0.65 C ATOM 1463 O GLU A 301 -18.851 1.982 6.260 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.679 -0.944 5.568 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.844 -1.933 4.428 1.00 0.66 C ATOM 1466 CD GLU A 301 -21.182 -2.652 4.465 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -22.046 -2.273 5.288 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -21.368 -3.624 3.697 1.00 1.21 O ATOM 1469 OXT GLU A 301 -17.917 0.691 7.767 1.00 1.20 O ATOM 0 H GLU A 301 -17.612 -2.125 6.212 1.00 0.50 H new ATOM 0 HA GLU A 301 -18.086 0.141 4.615 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.836 -1.466 6.512 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.457 -0.184 5.491 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.745 -1.407 3.479 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -19.040 -2.668 4.470 1.00 0.66 H new