USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 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 256 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 258 SER OG : rot 180:sc= 0.0253 USER MOD Set 2.1: A 248 LYS NZ :NH3+ -131:sc= 1.13 (180deg=0.123) USER MOD Set 2.2: A 284 TYR OH : rot 120:sc= 1.73 USER MOD Set 3.1: A 234 THR OG1 : rot -57:sc= 0.144 USER MOD Set 3.2: A 270 THR OG1 : rot -170:sc= 0.141 USER MOD Set 4.1: A 218 LYS NZ :NH3+ 133:sc= -3.71! (180deg=-4.44!) USER MOD Set 4.2: A 286 CYS SG : rot 117:sc= -7.57! USER MOD Single : A 216 GLN :FLIP amide:sc= -0.71 F(o=-3!,f=-0.71) USER MOD Single : A 217 LYS NZ :NH3+ -169:sc= 0.243 (180deg=0.0927) USER MOD Single : A 223 TYR OH : rot -122:sc= -0.0939 USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,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 X(o=0,f=-0.065) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.327 F(o=-2.2!,f=0.33) USER MOD Single : A 245 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0371) USER MOD Single : A 249 ASN :FLIP amide:sc= -0.254 F(o=-3.5!,f=-0.25) USER MOD Single : A 251 GLN :FLIP amide:sc= -0.0346 F(o=-1.9!,f=-0.035) USER MOD Single : A 254 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.9!) USER MOD Single : A 255 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot -170:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 THR OG1 : rot 76:sc= -0.163 USER MOD Single : A 274 SER OG : rot 180:sc= -0.0111 USER MOD Single : A 275 GLN : amide:sc=-0.00276 X(o=-0.0028,f=0) USER MOD Single : A 276 CYS SG : rot -140:sc= 0.0257 USER MOD Single : A 277 SER OG : rot 180:sc=-0.00602 USER MOD Single : A 285 GLN :FLIP amide:sc= -11! C(o=-16!,f=-11!) USER MOD Single : A 292 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0887) USER MOD Single : A 293 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 SER OG : rot 180:sc= 0.00244 USER MOD Single : A 295 THR OG1 : rot -152:sc= -3.08! USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 11.917 -2.596 -0.319 1.00 0.50 N ATOM 98 CA ALA A 214 12.555 -1.464 0.331 1.00 0.39 C ATOM 99 C ALA A 214 11.676 -0.900 1.433 1.00 0.25 C ATOM 100 O ALA A 214 11.886 0.218 1.891 1.00 0.27 O ATOM 101 CB ALA A 214 12.849 -0.384 -0.673 1.00 0.48 C ATOM 0 HA ALA A 214 13.487 -1.816 0.772 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.327 0.458 -0.172 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.515 -0.774 -1.443 1.00 0.48 H new ATOM 0 HB3 ALA A 214 11.918 -0.052 -1.133 1.00 0.48 H new ATOM 107 N PHE A 215 10.736 -1.695 1.894 1.00 0.25 N ATOM 108 CA PHE A 215 9.916 -1.326 3.014 1.00 0.18 C ATOM 109 C PHE A 215 10.490 -1.993 4.236 1.00 0.21 C ATOM 110 O PHE A 215 10.370 -3.207 4.403 1.00 0.28 O ATOM 111 CB PHE A 215 8.454 -1.749 2.795 1.00 0.20 C ATOM 112 CG PHE A 215 7.873 -1.271 1.481 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.351 -1.746 0.270 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.854 -0.335 1.459 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.831 -1.297 -0.925 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.333 0.123 0.265 1.00 0.31 C ATOM 117 CZ PHE A 215 6.821 -0.360 -0.929 1.00 0.35 C ATOM 0 H PHE A 215 10.523 -2.612 1.501 1.00 0.25 H new ATOM 0 HA PHE A 215 9.915 -0.243 3.137 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.389 -2.836 2.837 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.846 -1.362 3.613 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.144 -2.480 0.262 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.460 0.043 2.391 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.216 -1.680 -1.859 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.543 0.860 0.267 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.414 -0.006 -1.864 1.00 0.35 H new ATOM 127 N GLN A 216 11.161 -1.187 5.041 1.00 0.18 N ATOM 128 CA GLN A 216 11.781 -1.629 6.275 1.00 0.21 C ATOM 129 C GLN A 216 10.827 -2.532 7.021 1.00 0.24 C ATOM 130 O GLN A 216 11.059 -3.731 7.183 1.00 0.31 O ATOM 131 CB GLN A 216 12.079 -0.400 7.125 1.00 0.20 C ATOM 132 CG GLN A 216 13.426 -0.458 7.829 1.00 0.25 C ATOM 133 CD GLN A 216 13.759 0.808 8.597 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.044 1.886 8.325 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.672 0.822 9.419 1.00 0.79 N flip ATOM 0 H GLN A 216 11.291 -0.193 4.852 1.00 0.18 H new ATOM 0 HA GLN A 216 12.700 -2.175 6.062 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.048 0.486 6.491 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.293 -0.286 7.871 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.432 -1.304 8.517 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.206 -0.642 7.090 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.204 -0.028 9.605 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.898 1.684 9.916 1.00 0.79 H new ATOM 144 N LYS A 217 9.661 -1.982 7.270 1.00 0.20 N ATOM 145 CA LYS A 217 8.562 -2.745 7.781 1.00 0.22 C ATOM 146 C LYS A 217 7.282 -2.371 7.045 1.00 0.17 C ATOM 147 O LYS A 217 6.829 -1.239 7.141 1.00 0.17 O ATOM 148 CB LYS A 217 8.406 -2.468 9.267 1.00 0.28 C ATOM 149 CG LYS A 217 7.218 -3.164 9.878 1.00 0.36 C ATOM 150 CD LYS A 217 6.834 -2.516 11.194 1.00 0.59 C ATOM 151 CE LYS A 217 5.590 -3.156 11.793 1.00 1.26 C ATOM 152 NZ LYS A 217 4.430 -3.103 10.862 1.00 1.85 N ATOM 0 H LYS A 217 9.455 -0.994 7.122 1.00 0.20 H new ATOM 0 HA LYS A 217 8.756 -3.807 7.629 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.311 -2.784 9.786 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.309 -1.393 9.422 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.374 -3.126 9.189 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.451 -4.217 10.040 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.662 -2.602 11.897 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.657 -1.452 11.038 1.00 0.59 H new ATOM 0 HE2 LYS A 217 5.803 -4.194 12.047 1.00 1.26 H new ATOM 0 HE3 LYS A 217 5.332 -2.647 12.722 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 3.564 -3.376 11.370 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 4.325 -2.136 10.493 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 4.589 -3.760 10.071 1.00 1.85 H new ATOM 166 N LYS A 218 6.602 -3.350 6.481 1.00 0.19 N ATOM 167 CA LYS A 218 5.270 -3.109 5.953 1.00 0.20 C ATOM 168 C LYS A 218 4.254 -3.287 7.072 1.00 0.18 C ATOM 169 O LYS A 218 4.489 -4.055 8.008 1.00 0.20 O ATOM 170 CB LYS A 218 4.930 -4.035 4.776 1.00 0.31 C ATOM 171 CG LYS A 218 3.602 -3.686 4.123 1.00 0.39 C ATOM 172 CD LYS A 218 3.299 -4.561 2.937 1.00 0.96 C ATOM 173 CE LYS A 218 2.102 -4.021 2.185 1.00 1.56 C ATOM 174 NZ LYS A 218 1.850 -4.779 0.940 1.00 2.42 N ATOM 0 H LYS A 218 6.941 -4.306 6.376 1.00 0.19 H new ATOM 0 HA LYS A 218 5.238 -2.089 5.570 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.724 -3.976 4.031 1.00 0.31 H new ATOM 0 HB3 LYS A 218 4.898 -5.066 5.127 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.802 -3.784 4.857 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.619 -2.643 3.807 1.00 0.39 H new ATOM 0 HD2 LYS A 218 4.165 -4.604 2.276 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.101 -5.580 3.268 1.00 0.96 H new ATOM 0 HE2 LYS A 218 1.220 -4.067 2.824 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.267 -2.971 1.944 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 0.839 -5.012 0.874 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.126 -4.202 0.120 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 2.408 -5.657 0.949 1.00 2.42 H new ATOM 188 N LEU A 219 3.151 -2.559 6.988 1.00 0.16 N ATOM 189 CA LEU A 219 2.078 -2.671 7.964 1.00 0.16 C ATOM 190 C LEU A 219 1.494 -4.087 7.918 1.00 0.16 C ATOM 191 O LEU A 219 1.810 -4.855 7.007 1.00 0.17 O ATOM 192 CB LEU A 219 0.991 -1.636 7.674 1.00 0.20 C ATOM 193 CG LEU A 219 0.164 -1.176 8.874 1.00 0.66 C ATOM 194 CD1 LEU A 219 1.037 -0.414 9.854 1.00 1.20 C ATOM 195 CD2 LEU A 219 -0.997 -0.311 8.410 1.00 1.62 C ATOM 0 H LEU A 219 2.975 -1.879 6.248 1.00 0.16 H new ATOM 0 HA LEU A 219 2.475 -2.481 8.961 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.461 -0.761 7.226 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.313 -2.051 6.928 1.00 0.20 H new ATOM 0 HG LEU A 219 -0.238 -2.053 9.381 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.435 -0.092 10.704 1.00 1.20 H new ATOM 0 HD12 LEU A 219 1.842 -1.061 10.204 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.462 0.459 9.359 1.00 1.20 H new ATOM 0 HD21 LEU A 219 -1.579 0.011 9.274 1.00 1.62 H new ATOM 0 HD22 LEU A 219 -0.612 0.564 7.886 1.00 1.62 H new ATOM 0 HD23 LEU A 219 -1.633 -0.886 7.738 1.00 1.62 H new ATOM 207 N GLU A 220 0.715 -4.454 8.932 1.00 0.17 N ATOM 208 CA GLU A 220 0.147 -5.801 9.033 1.00 0.20 C ATOM 209 C GLU A 220 -0.497 -6.251 7.719 1.00 0.19 C ATOM 210 O GLU A 220 -1.084 -5.446 6.999 1.00 0.19 O ATOM 211 CB GLU A 220 -0.897 -5.861 10.155 1.00 0.23 C ATOM 212 CG GLU A 220 -2.043 -4.867 9.998 1.00 0.24 C ATOM 213 CD GLU A 220 -1.731 -3.504 10.584 1.00 0.75 C ATOM 214 OE1 GLU A 220 -0.635 -3.335 11.164 1.00 1.43 O ATOM 215 OE2 GLU A 220 -2.586 -2.597 10.487 1.00 1.12 O ATOM 0 H GLU A 220 0.460 -3.835 9.701 1.00 0.17 H new ATOM 0 HA GLU A 220 0.971 -6.478 9.259 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.309 -6.869 10.199 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.400 -5.678 11.108 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -2.278 -4.756 8.939 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.934 -5.269 10.481 1.00 0.24 H new ATOM 222 N PRO A 221 -0.371 -7.549 7.381 1.00 0.22 N ATOM 223 CA PRO A 221 -0.913 -8.128 6.136 1.00 0.23 C ATOM 224 C PRO A 221 -2.440 -8.144 6.086 1.00 0.20 C ATOM 225 O PRO A 221 -3.030 -8.968 5.392 1.00 0.19 O ATOM 226 CB PRO A 221 -0.377 -9.566 6.138 1.00 0.29 C ATOM 227 CG PRO A 221 0.722 -9.578 7.144 1.00 0.57 C ATOM 228 CD PRO A 221 0.342 -8.557 8.174 1.00 0.26 C ATOM 0 HA PRO A 221 -0.612 -7.537 5.271 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.160 -10.277 6.403 1.00 0.29 H new ATOM 0 HB3 PRO A 221 -0.010 -9.850 5.152 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.831 -10.565 7.593 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.678 -9.331 6.682 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.292 -8.983 8.952 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.217 -8.137 8.670 1.00 0.26 H new ATOM 236 N ALA A 222 -3.056 -7.137 6.677 1.00 0.20 N ATOM 237 CA ALA A 222 -4.490 -6.946 6.595 1.00 0.19 C ATOM 238 C ALA A 222 -4.823 -5.480 6.787 1.00 0.15 C ATOM 239 O ALA A 222 -5.166 -5.046 7.889 1.00 0.17 O ATOM 240 CB ALA A 222 -5.226 -7.786 7.622 1.00 0.24 C ATOM 0 H ALA A 222 -2.574 -6.427 7.229 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.817 -7.270 5.607 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.299 -7.616 7.530 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.010 -8.841 7.452 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.899 -7.506 8.623 1.00 0.24 H new ATOM 246 N TYR A 223 -4.740 -4.727 5.710 1.00 0.12 N ATOM 247 CA TYR A 223 -5.083 -3.320 5.746 1.00 0.11 C ATOM 248 C TYR A 223 -6.597 -3.193 5.722 1.00 0.13 C ATOM 249 O TYR A 223 -7.247 -3.794 4.871 1.00 0.17 O ATOM 250 CB TYR A 223 -4.484 -2.584 4.543 1.00 0.12 C ATOM 251 CG TYR A 223 -2.982 -2.374 4.579 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.176 -3.216 5.333 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.374 -1.329 3.901 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.808 -3.025 5.402 1.00 0.18 C ATOM 255 CE2 TYR A 223 -1.006 -1.134 3.972 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.227 -1.993 4.569 1.00 0.16 C ATOM 257 OH TYR A 223 1.128 -1.802 4.800 1.00 0.21 O ATOM 0 H TYR A 223 -4.437 -5.066 4.797 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.678 -2.872 6.654 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.733 -3.141 3.640 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.966 -1.610 4.460 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.625 -4.035 5.875 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.977 -0.657 3.308 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.193 -3.626 6.056 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.574 -0.252 3.523 1.00 0.20 H new ATOM 0 HH TYR A 223 1.287 -0.872 5.065 1.00 0.21 H new ATOM 267 N GLN A 224 -7.157 -2.477 6.684 1.00 0.15 N ATOM 268 CA GLN A 224 -8.601 -2.316 6.760 1.00 0.18 C ATOM 269 C GLN A 224 -9.014 -0.911 6.343 1.00 0.17 C ATOM 270 O GLN A 224 -8.731 0.065 7.043 1.00 0.22 O ATOM 271 CB GLN A 224 -9.114 -2.625 8.164 1.00 0.26 C ATOM 272 CG GLN A 224 -8.998 -4.093 8.537 1.00 0.34 C ATOM 273 CD GLN A 224 -9.582 -4.394 9.901 1.00 0.61 C ATOM 274 OE1 GLN A 224 -9.161 -3.824 10.907 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.555 -5.288 9.949 1.00 0.99 N ATOM 0 H GLN A 224 -6.637 -2.000 7.420 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.050 -3.027 6.067 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.557 -2.029 8.886 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.158 -2.320 8.237 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.508 -4.696 7.786 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.948 -4.386 8.522 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.876 -5.739 9.092 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.984 -5.527 10.843 1.00 0.99 H new ATOM 284 N VAL A 225 -9.642 -0.813 5.175 1.00 0.16 N ATOM 285 CA VAL A 225 -10.074 0.470 4.642 1.00 0.18 C ATOM 286 C VAL A 225 -11.179 1.050 5.483 1.00 0.24 C ATOM 287 O VAL A 225 -12.267 0.502 5.505 1.00 0.30 O ATOM 288 CB VAL A 225 -10.648 0.371 3.210 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.834 1.763 2.617 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.788 -0.489 2.309 1.00 0.77 C ATOM 0 H VAL A 225 -9.863 -1.611 4.580 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.178 1.091 4.643 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.621 -0.116 3.279 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.239 1.678 1.609 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.524 2.334 3.238 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.872 2.274 2.580 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.231 -0.529 1.314 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.788 -0.061 2.244 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.726 -1.497 2.719 1.00 0.77 H new ATOM 300 N SER A 226 -11.023 2.285 5.871 1.00 0.26 N ATOM 301 CA SER A 226 -12.173 3.021 6.323 1.00 0.33 C ATOM 302 C SER A 226 -12.958 3.419 5.075 1.00 0.32 C ATOM 303 O SER A 226 -12.428 4.141 4.231 1.00 0.32 O ATOM 304 CB SER A 226 -11.731 4.238 7.118 1.00 0.42 C ATOM 305 OG SER A 226 -10.955 3.855 8.242 1.00 1.20 O ATOM 0 H SER A 226 -10.138 2.793 5.885 1.00 0.26 H new ATOM 0 HA SER A 226 -12.800 2.423 6.984 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.149 4.903 6.479 1.00 0.42 H new ATOM 0 HB3 SER A 226 -12.605 4.798 7.449 1.00 0.42 H new ATOM 0 HG SER A 226 -10.680 4.655 8.738 1.00 1.20 H new ATOM 311 N LYS A 227 -14.019 2.666 4.806 1.00 0.34 N ATOM 312 CA LYS A 227 -14.689 2.692 3.504 1.00 0.37 C ATOM 313 C LYS A 227 -14.902 4.107 2.974 1.00 0.42 C ATOM 314 O LYS A 227 -15.517 4.953 3.626 1.00 0.48 O ATOM 315 CB LYS A 227 -16.035 1.964 3.574 1.00 0.44 C ATOM 316 CG LYS A 227 -17.066 2.656 4.453 1.00 0.95 C ATOM 317 CD LYS A 227 -18.333 3.013 3.688 1.00 0.93 C ATOM 318 CE LYS A 227 -19.160 1.780 3.360 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.425 2.133 2.661 1.00 1.54 N ATOM 0 H LYS A 227 -14.439 2.023 5.477 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.025 2.178 2.809 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.438 1.868 2.566 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.871 0.954 3.949 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.321 2.006 5.290 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -16.631 3.562 4.874 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.932 3.706 4.279 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.067 3.529 2.765 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.575 1.106 2.734 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.391 1.242 4.279 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.961 1.266 2.454 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -20.995 2.756 3.268 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.205 2.624 1.771 1.00 1.54 H new ATOM 333 N GLY A 228 -14.349 4.363 1.795 1.00 0.46 N ATOM 334 CA GLY A 228 -14.483 5.665 1.166 1.00 0.57 C ATOM 335 C GLY A 228 -13.763 6.766 1.924 1.00 0.57 C ATOM 336 O GLY A 228 -13.611 7.876 1.420 1.00 0.70 O ATOM 0 H GLY A 228 -13.806 3.687 1.259 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.091 5.614 0.150 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.540 5.917 1.087 1.00 0.57 H new ATOM 340 N HIS A 229 -13.224 6.423 3.086 1.00 0.47 N ATOM 341 CA HIS A 229 -12.437 7.357 3.873 1.00 0.53 C ATOM 342 C HIS A 229 -10.981 7.211 3.494 1.00 0.54 C ATOM 343 O HIS A 229 -10.093 7.677 4.204 1.00 1.02 O ATOM 344 CB HIS A 229 -12.635 7.103 5.366 1.00 0.55 C ATOM 345 CG HIS A 229 -14.018 7.418 5.843 1.00 1.32 C ATOM 346 ND1 HIS A 229 -14.601 8.658 5.694 1.00 1.94 N ATOM 347 CD2 HIS A 229 -14.941 6.643 6.455 1.00 2.31 C ATOM 348 CE1 HIS A 229 -15.821 8.630 6.194 1.00 2.66 C ATOM 349 NE2 HIS A 229 -16.055 7.419 6.661 1.00 2.89 N ATOM 0 H HIS A 229 -13.320 5.498 3.505 1.00 0.47 H new ATOM 0 HA HIS A 229 -12.765 8.375 3.665 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.413 6.058 5.582 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.919 7.703 5.927 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -14.824 5.605 6.731 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -16.512 9.459 6.217 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -16.921 7.110 7.103 1.00 2.89 H new ATOM 358 N LYS A 230 -10.791 6.535 2.357 1.00 0.30 N ATOM 359 CA LYS A 230 -9.493 6.273 1.732 1.00 0.28 C ATOM 360 C LYS A 230 -8.507 5.591 2.673 1.00 0.24 C ATOM 361 O LYS A 230 -8.032 6.169 3.652 1.00 0.28 O ATOM 362 CB LYS A 230 -8.891 7.546 1.092 1.00 0.36 C ATOM 363 CG LYS A 230 -8.536 8.675 2.047 1.00 1.00 C ATOM 364 CD LYS A 230 -8.335 9.981 1.299 1.00 1.23 C ATOM 365 CE LYS A 230 -8.113 11.142 2.253 1.00 1.65 C ATOM 366 NZ LYS A 230 -8.196 12.448 1.551 1.00 2.24 N ATOM 0 H LYS A 230 -11.568 6.140 1.827 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.684 5.564 0.926 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -7.990 7.262 0.547 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -9.600 7.929 0.358 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.329 8.794 2.785 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -7.627 8.421 2.593 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -7.479 9.890 0.630 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -9.207 10.182 0.676 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -8.857 11.108 3.049 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -7.136 11.044 2.726 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -8.040 13.219 2.232 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -7.469 12.490 0.808 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -9.137 12.552 1.121 1.00 2.24 H new ATOM 380 N ILE A 231 -8.167 4.355 2.342 1.00 0.20 N ATOM 381 CA ILE A 231 -7.215 3.617 3.151 1.00 0.17 C ATOM 382 C ILE A 231 -5.787 3.918 2.716 1.00 0.16 C ATOM 383 O ILE A 231 -5.464 3.919 1.532 1.00 0.17 O ATOM 384 CB ILE A 231 -7.451 2.095 3.098 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.438 1.378 3.993 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.337 1.589 1.672 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.660 -0.106 4.097 1.00 0.19 C ATOM 0 H ILE A 231 -8.530 3.850 1.533 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.366 3.947 4.179 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.457 1.885 3.460 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.435 1.559 3.607 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.479 1.813 4.992 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.506 0.512 1.653 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.082 2.084 1.049 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.340 1.806 1.287 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.903 -0.542 4.748 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.649 -0.298 4.512 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.589 -0.555 3.106 1.00 0.19 H new ATOM 399 N ARG A 232 -4.952 4.211 3.684 1.00 0.17 N ATOM 400 CA ARG A 232 -3.562 4.527 3.431 1.00 0.17 C ATOM 401 C ARG A 232 -2.702 3.283 3.613 1.00 0.15 C ATOM 402 O ARG A 232 -2.848 2.581 4.615 1.00 0.19 O ATOM 403 CB ARG A 232 -3.127 5.624 4.391 1.00 0.22 C ATOM 404 CG ARG A 232 -3.716 6.982 4.059 1.00 0.34 C ATOM 405 CD ARG A 232 -3.135 8.078 4.938 1.00 0.77 C ATOM 406 NE ARG A 232 -3.680 9.392 4.605 1.00 1.44 N ATOM 407 CZ ARG A 232 -4.940 9.766 4.826 1.00 2.13 C ATOM 408 NH1 ARG A 232 -5.788 8.958 5.455 1.00 2.48 N ATOM 409 NH2 ARG A 232 -5.339 10.967 4.437 1.00 3.14 N ATOM 0 H ARG A 232 -5.214 4.238 4.669 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.441 4.875 2.405 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.419 5.347 5.404 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.039 5.695 4.381 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.524 7.216 3.012 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -4.798 6.950 4.185 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -3.344 7.853 5.984 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -2.051 8.096 4.826 1.00 0.77 H new ATOM 0 HE ARG A 232 -3.052 10.070 4.173 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -5.477 8.041 5.774 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -6.750 9.255 5.618 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -4.684 11.596 3.973 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -6.301 11.263 4.601 1.00 3.14 H new ATOM 423 N LEU A 233 -1.784 3.006 2.685 1.00 0.13 N ATOM 424 CA LEU A 233 -0.935 1.855 2.841 1.00 0.14 C ATOM 425 C LEU A 233 0.336 2.301 3.514 1.00 0.13 C ATOM 426 O LEU A 233 1.234 2.826 2.864 1.00 0.13 O ATOM 427 CB LEU A 233 -0.655 1.202 1.480 1.00 0.15 C ATOM 428 CG LEU A 233 -1.746 0.240 0.968 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.088 0.940 0.808 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.331 -0.389 -0.351 1.00 0.23 C ATOM 0 H LEU A 233 -1.622 3.556 1.842 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.425 1.101 3.457 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.514 1.990 0.741 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.285 0.655 1.546 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.862 -0.543 1.718 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.829 0.228 0.445 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.408 1.338 1.771 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.989 1.757 0.093 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.115 -1.064 -0.695 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.174 0.393 -1.094 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.406 -0.948 -0.212 1.00 0.23 H new ATOM 442 N THR A 234 0.323 2.238 4.834 1.00 0.14 N ATOM 443 CA THR A 234 1.404 2.772 5.632 1.00 0.16 C ATOM 444 C THR A 234 2.475 1.719 5.865 1.00 0.16 C ATOM 445 O THR A 234 2.173 0.546 6.084 1.00 0.22 O ATOM 446 CB THR A 234 0.887 3.302 6.984 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.189 4.226 6.761 1.00 0.33 O ATOM 448 CG2 THR A 234 2.001 3.996 7.756 1.00 0.24 C ATOM 0 H THR A 234 -0.432 1.818 5.376 1.00 0.14 H new ATOM 0 HA THR A 234 1.842 3.603 5.079 1.00 0.16 H new ATOM 0 HB THR A 234 0.531 2.456 7.572 1.00 0.22 H new ATOM 0 HG1 THR A 234 0.118 4.951 6.177 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.612 4.361 8.706 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.809 3.289 7.943 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.380 4.835 7.172 1.00 0.24 H new ATOM 456 N VAL A 235 3.719 2.132 5.716 1.00 0.14 N ATOM 457 CA VAL A 235 4.861 1.245 5.833 1.00 0.14 C ATOM 458 C VAL A 235 6.040 2.021 6.392 1.00 0.14 C ATOM 459 O VAL A 235 6.213 3.187 6.068 1.00 0.16 O ATOM 460 CB VAL A 235 5.262 0.665 4.458 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.173 -0.228 3.909 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.533 1.792 3.488 1.00 0.14 C ATOM 0 H VAL A 235 3.968 3.099 5.509 1.00 0.14 H new ATOM 0 HA VAL A 235 4.587 0.424 6.495 1.00 0.14 H new ATOM 0 HB VAL A 235 6.164 0.067 4.588 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.480 -0.623 2.941 1.00 0.15 H new ATOM 0 HG12 VAL A 235 3.997 -1.054 4.599 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.255 0.348 3.791 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.815 1.379 2.520 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.635 2.399 3.375 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.345 2.412 3.868 1.00 0.14 H new ATOM 472 N GLU A 236 6.936 1.352 7.079 1.00 0.13 N ATOM 473 CA GLU A 236 8.171 1.989 7.460 1.00 0.13 C ATOM 474 C GLU A 236 9.167 1.705 6.364 1.00 0.13 C ATOM 475 O GLU A 236 9.473 0.552 6.103 1.00 0.17 O ATOM 476 CB GLU A 236 8.685 1.449 8.801 1.00 0.18 C ATOM 477 CG GLU A 236 9.928 2.167 9.306 1.00 0.29 C ATOM 478 CD GLU A 236 10.172 1.955 10.787 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.411 2.501 11.612 1.00 1.05 O ATOM 480 OE2 GLU A 236 11.137 1.244 11.135 1.00 1.18 O ATOM 0 H GLU A 236 6.835 0.383 7.381 1.00 0.13 H new ATOM 0 HA GLU A 236 8.020 3.061 7.588 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.895 1.538 9.547 1.00 0.18 H new ATOM 0 HB3 GLU A 236 8.906 0.387 8.696 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.796 1.817 8.746 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.830 3.234 9.108 1.00 0.29 H new ATOM 487 N LEU A 237 9.503 2.716 5.587 1.00 0.13 N ATOM 488 CA LEU A 237 10.350 2.511 4.428 1.00 0.15 C ATOM 489 C LEU A 237 11.793 2.320 4.837 1.00 0.17 C ATOM 490 O LEU A 237 12.255 2.927 5.791 1.00 0.19 O ATOM 491 CB LEU A 237 10.264 3.683 3.452 1.00 0.17 C ATOM 492 CG LEU A 237 9.326 3.485 2.262 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.510 4.607 1.258 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.567 2.142 1.599 1.00 0.55 C ATOM 0 H LEU A 237 9.205 3.680 5.735 1.00 0.13 H new ATOM 0 HA LEU A 237 9.988 1.610 3.932 1.00 0.15 H new ATOM 0 HB2 LEU A 237 9.942 4.567 4.002 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.264 3.890 3.072 1.00 0.17 H new ATOM 0 HG LEU A 237 8.300 3.503 2.630 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.836 4.455 0.415 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.286 5.562 1.734 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.540 4.612 0.903 1.00 0.44 H new ATOM 0 HD21 LEU A 237 8.887 2.026 0.755 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.597 2.091 1.245 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.391 1.344 2.320 1.00 0.55 H new ATOM 506 N ALA A 238 12.514 1.574 4.027 1.00 0.19 N ATOM 507 CA ALA A 238 13.954 1.465 4.155 1.00 0.21 C ATOM 508 C ALA A 238 14.590 2.588 3.352 1.00 0.23 C ATOM 509 O ALA A 238 15.554 3.216 3.776 1.00 0.28 O ATOM 510 CB ALA A 238 14.419 0.113 3.646 1.00 0.25 C ATOM 0 H ALA A 238 12.120 1.026 3.262 1.00 0.19 H new ATOM 0 HA ALA A 238 14.249 1.549 5.201 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.502 0.039 3.746 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.946 -0.677 4.229 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.143 0.005 2.597 1.00 0.25 H new ATOM 516 N ASP A 239 13.961 2.872 2.216 1.00 0.22 N ATOM 517 CA ASP A 239 14.374 3.957 1.322 1.00 0.25 C ATOM 518 C ASP A 239 14.042 5.314 1.914 1.00 0.25 C ATOM 519 O ASP A 239 14.745 6.295 1.682 1.00 0.34 O ATOM 520 CB ASP A 239 13.677 3.817 -0.023 1.00 0.31 C ATOM 521 CG ASP A 239 14.574 3.183 -1.070 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.382 3.911 -1.682 1.00 1.28 O ATOM 523 OD2 ASP A 239 14.504 1.960 -1.260 1.00 1.19 O ATOM 0 H ASP A 239 13.146 2.356 1.885 1.00 0.22 H new ATOM 0 HA ASP A 239 15.454 3.887 1.191 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.778 3.213 0.097 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.357 4.800 -0.368 1.00 0.31 H new ATOM 528 N HIS A 240 12.921 5.359 2.627 1.00 0.27 N ATOM 529 CA HIS A 240 12.419 6.572 3.276 1.00 0.39 C ATOM 530 C HIS A 240 11.750 7.515 2.283 1.00 0.47 C ATOM 531 O HIS A 240 10.556 7.783 2.401 1.00 0.70 O ATOM 532 CB HIS A 240 13.525 7.299 4.052 1.00 0.46 C ATOM 533 CG HIS A 240 14.083 6.483 5.177 1.00 0.46 C ATOM 534 ND1 HIS A 240 13.843 5.198 5.531 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 14.984 6.970 6.099 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.592 4.939 6.649 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.271 6.024 6.970 1.00 0.48 N flip ATOM 0 H HIS A 240 12.325 4.544 2.774 1.00 0.27 H new ATOM 0 HA HIS A 240 11.661 6.251 3.991 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.331 7.561 3.366 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.128 8.233 4.450 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.221 4.545 5.055 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.391 7.970 6.106 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.622 4.000 7.181 1.00 0.57 H new ATOM 546 N ASP A 241 12.474 7.962 1.266 1.00 0.41 N ATOM 547 CA ASP A 241 11.872 8.844 0.276 1.00 0.51 C ATOM 548 C ASP A 241 12.116 8.354 -1.138 1.00 0.44 C ATOM 549 O ASP A 241 12.415 9.128 -2.044 1.00 0.78 O ATOM 550 CB ASP A 241 12.350 10.287 0.443 1.00 0.80 C ATOM 551 CG ASP A 241 11.503 11.257 -0.360 1.00 1.53 C ATOM 552 OD1 ASP A 241 10.260 11.203 -0.251 1.00 2.22 O ATOM 553 OD2 ASP A 241 12.081 12.076 -1.111 1.00 2.08 O ATOM 0 H ASP A 241 13.456 7.736 1.106 1.00 0.41 H new ATOM 0 HA ASP A 241 10.796 8.826 0.450 1.00 0.51 H new ATOM 0 HB2 ASP A 241 12.316 10.561 1.497 1.00 0.80 H new ATOM 0 HB3 ASP A 241 13.390 10.364 0.127 1.00 0.80 H new ATOM 558 N ALA A 242 11.805 7.095 -1.354 1.00 0.33 N ATOM 559 CA ALA A 242 11.797 6.545 -2.691 1.00 0.30 C ATOM 560 C ALA A 242 10.391 6.565 -3.243 1.00 0.24 C ATOM 561 O ALA A 242 9.420 6.578 -2.482 1.00 0.28 O ATOM 562 CB ALA A 242 12.316 5.128 -2.689 1.00 0.38 C ATOM 0 H ALA A 242 11.554 6.432 -0.620 1.00 0.33 H new ATOM 0 HA ALA A 242 12.447 7.155 -3.318 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.301 4.734 -3.705 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.338 5.115 -2.310 1.00 0.38 H new ATOM 0 HB3 ALA A 242 11.684 4.510 -2.051 1.00 0.38 H new ATOM 568 N GLU A 243 10.280 6.402 -4.544 1.00 0.26 N ATOM 569 CA GLU A 243 8.996 6.202 -5.154 1.00 0.30 C ATOM 570 C GLU A 243 8.523 4.786 -4.853 1.00 0.25 C ATOM 571 O GLU A 243 9.185 3.807 -5.212 1.00 0.25 O ATOM 572 CB GLU A 243 9.112 6.440 -6.656 1.00 0.39 C ATOM 573 CG GLU A 243 8.173 5.601 -7.489 1.00 0.67 C ATOM 574 CD GLU A 243 8.304 5.881 -8.969 1.00 1.10 C ATOM 575 OE1 GLU A 243 9.039 6.825 -9.341 1.00 1.56 O ATOM 576 OE2 GLU A 243 7.673 5.166 -9.769 1.00 1.64 O ATOM 0 H GLU A 243 11.066 6.405 -5.194 1.00 0.26 H new ATOM 0 HA GLU A 243 8.265 6.904 -4.753 1.00 0.30 H new ATOM 0 HB2 GLU A 243 8.920 7.493 -6.862 1.00 0.39 H new ATOM 0 HB3 GLU A 243 10.137 6.236 -6.967 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.372 4.546 -7.303 1.00 0.67 H new ATOM 0 HG3 GLU A 243 7.146 5.791 -7.176 1.00 0.67 H new ATOM 583 N VAL A 244 7.399 4.676 -4.168 1.00 0.24 N ATOM 584 CA VAL A 244 6.863 3.373 -3.841 1.00 0.21 C ATOM 585 C VAL A 244 5.770 2.991 -4.817 1.00 0.20 C ATOM 586 O VAL A 244 4.727 3.642 -4.898 1.00 0.23 O ATOM 587 CB VAL A 244 6.339 3.284 -2.382 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.507 3.347 -1.404 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.304 4.380 -2.077 1.00 0.27 C ATOM 0 H VAL A 244 6.847 5.465 -3.832 1.00 0.24 H new ATOM 0 HA VAL A 244 7.688 2.665 -3.924 1.00 0.21 H new ATOM 0 HB VAL A 244 5.831 2.327 -2.264 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.130 3.284 -0.383 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.185 2.515 -1.593 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.042 4.288 -1.536 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.963 4.282 -1.046 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.760 5.360 -2.217 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.454 4.276 -2.752 1.00 0.27 H new ATOM 599 N LYS A 245 5.987 1.889 -5.499 1.00 0.18 N ATOM 600 CA LYS A 245 4.974 1.323 -6.356 1.00 0.19 C ATOM 601 C LYS A 245 4.259 0.251 -5.553 1.00 0.15 C ATOM 602 O LYS A 245 4.804 -0.262 -4.577 1.00 0.16 O ATOM 603 CB LYS A 245 5.611 0.750 -7.629 1.00 0.30 C ATOM 604 CG LYS A 245 4.612 0.384 -8.716 1.00 0.89 C ATOM 605 CD LYS A 245 5.284 -0.309 -9.895 1.00 1.51 C ATOM 606 CE LYS A 245 6.315 0.581 -10.574 1.00 2.00 C ATOM 607 NZ LYS A 245 5.698 1.767 -11.226 1.00 2.79 N ATOM 0 H LYS A 245 6.862 1.365 -5.475 1.00 0.18 H new ATOM 0 HA LYS A 245 4.261 2.081 -6.680 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.315 1.479 -8.029 1.00 0.30 H new ATOM 0 HB3 LYS A 245 6.186 -0.138 -7.366 1.00 0.30 H new ATOM 0 HG2 LYS A 245 3.845 -0.270 -8.300 1.00 0.89 H new ATOM 0 HG3 LYS A 245 4.108 1.285 -9.064 1.00 0.89 H new ATOM 0 HD2 LYS A 245 5.767 -1.223 -9.550 1.00 1.51 H new ATOM 0 HD3 LYS A 245 4.526 -0.603 -10.621 1.00 1.51 H new ATOM 0 HE2 LYS A 245 7.046 0.914 -9.837 1.00 2.00 H new ATOM 0 HE3 LYS A 245 6.857 0.000 -11.320 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 6.424 2.287 -11.759 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 4.948 1.455 -11.875 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 5.290 2.390 -10.500 1.00 2.79 H new ATOM 621 N TRP A 246 3.004 0.016 -5.813 1.00 0.14 N ATOM 622 CA TRP A 246 2.295 -0.934 -4.989 1.00 0.13 C ATOM 623 C TRP A 246 1.624 -1.948 -5.872 1.00 0.14 C ATOM 624 O TRP A 246 1.778 -1.906 -7.082 1.00 0.14 O ATOM 625 CB TRP A 246 1.324 -0.250 -4.010 1.00 0.14 C ATOM 626 CG TRP A 246 2.017 0.694 -3.057 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.595 1.883 -3.385 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.241 0.534 -1.637 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.142 2.470 -2.275 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.945 1.670 -1.202 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.920 -0.442 -0.687 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.329 1.867 0.117 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.310 -0.238 0.632 1.00 0.15 C ATOM 634 CH2 TRP A 246 3.005 0.907 1.014 1.00 0.15 C ATOM 0 H TRP A 246 2.462 0.449 -6.561 1.00 0.14 H new ATOM 0 HA TRP A 246 3.010 -1.455 -4.352 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.573 0.301 -4.577 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.796 -1.013 -3.438 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.619 2.303 -4.380 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.623 3.370 -2.260 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.381 -1.334 -0.972 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.867 2.754 0.417 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.069 -0.983 1.376 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.291 1.031 2.048 1.00 0.15 H new ATOM 645 N LEU A 247 1.173 -3.012 -5.289 1.00 0.15 N ATOM 646 CA LEU A 247 0.697 -4.126 -6.065 1.00 0.14 C ATOM 647 C LEU A 247 -0.700 -4.496 -5.595 1.00 0.15 C ATOM 648 O LEU A 247 -0.932 -4.632 -4.414 1.00 0.16 O ATOM 649 CB LEU A 247 1.663 -5.307 -5.885 1.00 0.15 C ATOM 650 CG LEU A 247 2.517 -5.743 -7.087 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.842 -6.871 -7.846 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.819 -4.584 -8.015 1.00 0.17 C ATOM 0 H LEU A 247 1.122 -3.139 -4.278 1.00 0.15 H new ATOM 0 HA LEU A 247 0.653 -3.866 -7.123 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.341 -5.060 -5.068 1.00 0.15 H new ATOM 0 HB3 LEU A 247 1.078 -6.169 -5.564 1.00 0.15 H new ATOM 0 HG LEU A 247 3.467 -6.105 -6.695 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.464 -7.163 -8.692 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.706 -7.725 -7.183 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.870 -6.535 -8.209 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.424 -4.935 -8.851 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.885 -4.168 -8.393 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.365 -3.814 -7.470 1.00 0.17 H new ATOM 664 N LYS A 248 -1.577 -4.795 -6.509 1.00 0.19 N ATOM 665 CA LYS A 248 -2.841 -5.409 -6.156 1.00 0.25 C ATOM 666 C LYS A 248 -2.642 -6.892 -6.383 1.00 0.25 C ATOM 667 O LYS A 248 -1.751 -7.237 -7.155 1.00 0.21 O ATOM 668 CB LYS A 248 -3.969 -4.891 -7.056 1.00 0.34 C ATOM 669 CG LYS A 248 -5.334 -5.502 -6.779 1.00 0.77 C ATOM 670 CD LYS A 248 -6.306 -5.210 -7.915 1.00 0.95 C ATOM 671 CE LYS A 248 -6.559 -3.717 -8.083 1.00 1.57 C ATOM 672 NZ LYS A 248 -7.486 -3.188 -7.050 1.00 2.06 N ATOM 0 H LYS A 248 -1.448 -4.627 -7.507 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.122 -5.180 -5.128 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.040 -3.809 -6.941 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.704 -5.084 -8.095 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.234 -6.580 -6.650 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.731 -5.104 -5.845 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -5.909 -5.617 -8.845 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -7.251 -5.718 -7.723 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -5.612 -3.181 -8.028 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -6.975 -3.529 -9.073 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -8.231 -2.624 -7.508 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -7.919 -3.980 -6.534 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -6.958 -2.588 -6.384 1.00 2.06 H new ATOM 686 N ASN A 249 -3.300 -7.757 -5.619 1.00 0.34 N ATOM 687 CA ASN A 249 -3.035 -9.194 -5.730 1.00 0.40 C ATOM 688 C ASN A 249 -2.889 -9.620 -7.198 1.00 0.35 C ATOM 689 O ASN A 249 -3.830 -9.541 -7.984 1.00 0.35 O ATOM 690 CB ASN A 249 -4.110 -10.042 -5.020 1.00 0.61 C ATOM 691 CG ASN A 249 -5.550 -9.693 -5.380 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.423 -9.710 -4.389 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -5.892 -9.448 -6.533 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.006 -7.500 -4.929 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.089 -9.379 -5.222 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.937 -11.092 -5.256 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -3.984 -9.933 -3.943 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -5.198 -9.441 -7.280 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.870 -9.251 -6.744 1.00 1.19 H new ATOM 700 N GLY A 250 -1.647 -9.882 -7.598 1.00 0.35 N ATOM 701 CA GLY A 250 -1.348 -10.180 -8.987 1.00 0.35 C ATOM 702 C GLY A 250 -1.169 -8.945 -9.867 1.00 0.33 C ATOM 703 O GLY A 250 -0.252 -8.905 -10.692 1.00 0.39 O ATOM 0 H GLY A 250 -0.837 -9.893 -6.978 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.438 -10.779 -9.031 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.152 -10.791 -9.397 1.00 0.35 H new ATOM 707 N GLN A 251 -2.069 -7.971 -9.753 1.00 0.30 N ATOM 708 CA GLN A 251 -2.027 -6.791 -10.623 1.00 0.36 C ATOM 709 C GLN A 251 -1.059 -5.742 -10.087 1.00 0.25 C ATOM 710 O GLN A 251 -1.109 -5.390 -8.924 1.00 0.28 O ATOM 711 CB GLN A 251 -3.418 -6.173 -10.765 1.00 0.52 C ATOM 712 CG GLN A 251 -4.455 -7.097 -11.384 1.00 1.28 C ATOM 713 CD GLN A 251 -5.742 -6.375 -11.747 1.00 2.00 C ATOM 714 OE1 GLN A 251 -5.721 -5.050 -11.703 1.00 2.77 O flip ATOM 715 NE2 GLN A 251 -6.741 -7.001 -12.102 1.00 2.59 N flip ATOM 0 H GLN A 251 -2.831 -7.972 -9.075 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.678 -7.121 -11.601 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.767 -5.863 -9.780 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.342 -5.272 -11.374 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -4.037 -7.558 -12.279 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -4.680 -7.903 -10.686 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -6.723 -8.021 -12.124 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -7.587 -6.500 -12.374 1.00 2.59 H new ATOM 724 N GLU A 252 -0.199 -5.217 -10.936 1.00 0.26 N ATOM 725 CA GLU A 252 0.761 -4.219 -10.492 1.00 0.25 C ATOM 726 C GLU A 252 0.121 -2.832 -10.404 1.00 0.27 C ATOM 727 O GLU A 252 -0.752 -2.488 -11.203 1.00 0.32 O ATOM 728 CB GLU A 252 1.993 -4.240 -11.392 1.00 0.32 C ATOM 729 CG GLU A 252 2.642 -5.615 -11.433 1.00 0.60 C ATOM 730 CD GLU A 252 4.000 -5.618 -12.100 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.127 -5.057 -13.209 1.00 1.49 O ATOM 732 OE2 GLU A 252 4.941 -6.213 -11.534 1.00 1.60 O ATOM 0 H GLU A 252 -0.142 -5.459 -11.925 1.00 0.26 H new ATOM 0 HA GLU A 252 1.088 -4.468 -9.482 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.710 -3.942 -12.402 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.717 -3.508 -11.034 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.744 -5.991 -10.415 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.984 -6.304 -11.962 1.00 0.60 H new ATOM 739 N ILE A 253 0.401 -2.149 -9.298 1.00 0.23 N ATOM 740 CA ILE A 253 -0.280 -0.910 -8.944 1.00 0.27 C ATOM 741 C ILE A 253 0.666 0.299 -8.984 1.00 0.28 C ATOM 742 O ILE A 253 1.663 0.374 -8.248 1.00 0.28 O ATOM 743 CB ILE A 253 -0.922 -1.071 -7.546 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.339 -1.610 -7.662 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.905 0.206 -6.727 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.968 -1.873 -6.317 1.00 0.33 C ATOM 0 H ILE A 253 1.107 -2.440 -8.622 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.058 -0.716 -9.683 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.305 -1.792 -7.009 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.952 -0.897 -8.213 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.327 -2.534 -8.241 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.370 0.023 -5.758 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.125 0.530 -6.579 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.458 0.984 -7.254 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.979 -2.256 -6.457 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.373 -2.608 -5.774 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -3.008 -0.945 -5.746 1.00 0.33 H new ATOM 758 N GLN A 254 0.331 1.250 -9.844 1.00 0.36 N ATOM 759 CA GLN A 254 1.116 2.464 -9.994 1.00 0.43 C ATOM 760 C GLN A 254 0.712 3.503 -8.939 1.00 0.61 C ATOM 761 O GLN A 254 0.620 3.188 -7.753 1.00 1.42 O ATOM 762 CB GLN A 254 0.959 3.038 -11.410 1.00 0.70 C ATOM 763 CG GLN A 254 1.498 2.145 -12.525 1.00 1.00 C ATOM 764 CD GLN A 254 0.478 1.155 -13.063 1.00 1.75 C ATOM 765 OE1 GLN A 254 0.123 0.179 -12.402 1.00 2.63 O ATOM 766 NE2 GLN A 254 -0.002 1.404 -14.271 1.00 2.21 N ATOM 0 H GLN A 254 -0.486 1.202 -10.452 1.00 0.36 H new ATOM 0 HA GLN A 254 2.166 2.214 -9.842 1.00 0.43 H new ATOM 0 HB2 GLN A 254 -0.098 3.228 -11.595 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.469 4.000 -11.456 1.00 0.70 H new ATOM 0 HG2 GLN A 254 1.848 2.773 -13.344 1.00 1.00 H new ATOM 0 HG3 GLN A 254 2.363 1.596 -12.152 1.00 1.00 H new ATOM 0 HE21 GLN A 254 0.317 2.224 -14.788 1.00 2.21 H new ATOM 0 HE22 GLN A 254 -0.691 0.776 -14.685 1.00 2.21 H new ATOM 775 N MET A 255 0.443 4.731 -9.374 1.00 0.59 N ATOM 776 CA MET A 255 0.040 5.799 -8.469 1.00 0.61 C ATOM 777 C MET A 255 -0.826 6.817 -9.203 1.00 0.65 C ATOM 778 O MET A 255 -0.770 6.909 -10.431 1.00 0.95 O ATOM 779 CB MET A 255 1.269 6.465 -7.826 1.00 0.95 C ATOM 780 CG MET A 255 2.335 6.939 -8.805 1.00 1.58 C ATOM 781 SD MET A 255 1.955 8.539 -9.547 1.00 2.30 S ATOM 782 CE MET A 255 3.457 8.842 -10.474 1.00 2.61 C ATOM 0 H MET A 255 0.498 5.010 -10.353 1.00 0.59 H new ATOM 0 HA MET A 255 -0.556 5.368 -7.665 1.00 0.61 H new ATOM 0 HB2 MET A 255 0.933 7.319 -7.237 1.00 0.95 H new ATOM 0 HB3 MET A 255 1.724 5.758 -7.132 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.292 7.004 -8.287 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.450 6.197 -9.595 1.00 1.58 H new ATOM 0 HE1 MET A 255 3.378 9.798 -10.992 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.307 8.867 -9.792 1.00 2.61 H new ATOM 0 HE3 MET A 255 3.601 8.045 -11.204 1.00 2.61 H new ATOM 792 N SER A 256 -1.734 7.455 -8.476 1.00 0.57 N ATOM 793 CA SER A 256 -2.717 8.347 -9.081 1.00 0.69 C ATOM 794 C SER A 256 -3.288 9.298 -8.031 1.00 1.00 C ATOM 795 O SER A 256 -3.030 9.141 -6.836 1.00 1.47 O ATOM 796 CB SER A 256 -3.849 7.523 -9.719 1.00 0.76 C ATOM 797 OG SER A 256 -4.686 8.320 -10.545 1.00 1.64 O ATOM 0 H SER A 256 -1.811 7.371 -7.462 1.00 0.57 H new ATOM 0 HA SER A 256 -2.227 8.937 -9.855 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.420 6.714 -10.310 1.00 0.76 H new ATOM 0 HB3 SER A 256 -4.448 7.061 -8.934 1.00 0.76 H new ATOM 0 HG SER A 256 -5.391 7.761 -10.933 1.00 1.64 H new ATOM 803 N GLY A 257 -4.019 10.309 -8.487 1.00 1.01 N ATOM 804 CA GLY A 257 -4.610 11.279 -7.581 1.00 1.41 C ATOM 805 C GLY A 257 -5.862 10.755 -6.903 1.00 1.28 C ATOM 806 O GLY A 257 -6.176 11.142 -5.780 1.00 1.69 O ATOM 0 H GLY A 257 -4.214 10.475 -9.474 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.878 11.555 -6.822 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.853 12.186 -8.134 1.00 1.41 H new ATOM 810 N SER A 258 -6.628 9.947 -7.624 1.00 1.07 N ATOM 811 CA SER A 258 -7.889 9.417 -7.112 1.00 0.96 C ATOM 812 C SER A 258 -7.673 8.131 -6.315 1.00 0.74 C ATOM 813 O SER A 258 -8.448 7.802 -5.416 1.00 1.14 O ATOM 814 CB SER A 258 -8.854 9.169 -8.270 1.00 1.08 C ATOM 815 OG SER A 258 -8.182 8.585 -9.374 1.00 1.77 O ATOM 0 H SER A 258 -6.398 9.642 -8.570 1.00 1.07 H new ATOM 0 HA SER A 258 -8.319 10.156 -6.435 1.00 0.96 H new ATOM 0 HB2 SER A 258 -9.661 8.513 -7.942 1.00 1.08 H new ATOM 0 HB3 SER A 258 -9.312 10.110 -8.575 1.00 1.08 H new ATOM 0 HG SER A 258 -8.820 8.434 -10.102 1.00 1.77 H new ATOM 821 N LYS A 259 -6.641 7.387 -6.681 1.00 0.51 N ATOM 822 CA LYS A 259 -6.329 6.119 -6.039 1.00 0.37 C ATOM 823 C LYS A 259 -4.843 5.861 -6.168 1.00 0.33 C ATOM 824 O LYS A 259 -4.206 6.455 -7.025 1.00 0.45 O ATOM 825 CB LYS A 259 -7.125 4.981 -6.683 1.00 0.48 C ATOM 826 CG LYS A 259 -6.767 4.714 -8.139 1.00 1.11 C ATOM 827 CD LYS A 259 -7.533 3.522 -8.691 1.00 1.59 C ATOM 828 CE LYS A 259 -9.033 3.765 -8.684 1.00 2.02 C ATOM 829 NZ LYS A 259 -9.792 2.574 -9.152 1.00 2.41 N ATOM 0 H LYS A 259 -5.997 7.644 -7.429 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.604 6.166 -4.985 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.964 4.069 -6.108 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -8.188 5.215 -6.619 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -6.987 5.598 -8.737 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -5.696 4.531 -8.224 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -7.202 3.317 -9.709 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -7.305 2.637 -8.098 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -9.353 4.026 -7.675 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -9.265 4.617 -9.323 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -10.811 2.782 -9.132 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -9.506 2.340 -10.124 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -9.591 1.767 -8.528 1.00 2.41 H new ATOM 843 N TYR A 260 -4.272 5.046 -5.281 1.00 0.24 N ATOM 844 CA TYR A 260 -2.827 4.815 -5.291 1.00 0.27 C ATOM 845 C TYR A 260 -2.099 6.141 -5.056 1.00 0.27 C ATOM 846 O TYR A 260 -1.185 6.510 -5.788 1.00 0.29 O ATOM 847 CB TYR A 260 -2.368 4.193 -6.622 1.00 0.33 C ATOM 848 CG TYR A 260 -3.224 3.044 -7.104 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.751 2.128 -6.203 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.489 2.863 -8.453 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.523 1.067 -6.635 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.257 1.803 -8.893 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.823 0.955 -7.996 1.00 0.95 C ATOM 854 OH TYR A 260 -5.531 -0.150 -8.421 1.00 1.24 O ATOM 0 H TYR A 260 -4.780 4.540 -4.555 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.585 4.113 -4.493 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -2.359 4.969 -7.387 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.342 3.843 -6.510 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.554 2.247 -5.148 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -3.088 3.563 -9.171 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -4.890 0.334 -5.931 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.408 1.648 -9.951 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.670 -0.097 -9.390 1.00 1.24 H new ATOM 864 N ILE A 261 -2.587 6.886 -4.082 1.00 0.26 N ATOM 865 CA ILE A 261 -2.068 8.208 -3.773 1.00 0.27 C ATOM 866 C ILE A 261 -0.847 8.101 -2.857 1.00 0.28 C ATOM 867 O ILE A 261 -0.983 7.886 -1.657 1.00 0.35 O ATOM 868 CB ILE A 261 -3.157 9.036 -3.064 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.430 9.099 -3.909 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.659 10.430 -2.745 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.624 9.633 -3.151 1.00 0.39 C ATOM 0 H ILE A 261 -3.356 6.592 -3.480 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.776 8.694 -4.704 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.395 8.539 -2.124 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -4.249 9.729 -4.780 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.661 8.101 -4.281 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.448 10.993 -2.245 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.789 10.365 -2.091 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -2.381 10.937 -3.669 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.493 9.652 -3.808 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.829 8.990 -2.295 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -5.411 10.644 -2.802 1.00 0.39 H new ATOM 883 N PHE A 262 0.343 8.203 -3.421 1.00 0.30 N ATOM 884 CA PHE A 262 1.556 8.043 -2.627 1.00 0.32 C ATOM 885 C PHE A 262 1.753 9.230 -1.682 1.00 0.30 C ATOM 886 O PHE A 262 1.497 10.380 -2.047 1.00 0.37 O ATOM 887 CB PHE A 262 2.784 7.848 -3.531 1.00 0.46 C ATOM 888 CG PHE A 262 3.179 9.062 -4.330 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.998 10.033 -3.779 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.712 9.240 -5.624 1.00 0.84 C ATOM 891 CE1 PHE A 262 4.345 11.155 -4.504 1.00 1.13 C ATOM 892 CE2 PHE A 262 3.060 10.358 -6.354 1.00 1.09 C ATOM 893 CZ PHE A 262 3.937 11.284 -5.811 1.00 1.18 C ATOM 0 H PHE A 262 0.499 8.393 -4.411 1.00 0.30 H new ATOM 0 HA PHE A 262 1.443 7.146 -2.018 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.629 7.547 -2.912 1.00 0.46 H new ATOM 0 HB3 PHE A 262 2.584 7.027 -4.219 1.00 0.46 H new ATOM 0 HD1 PHE A 262 4.369 9.911 -2.772 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.068 8.494 -6.066 1.00 0.84 H new ATOM 0 HE1 PHE A 262 4.937 11.932 -4.045 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.652 10.511 -7.342 1.00 1.09 H new ATOM 0 HZ PHE A 262 4.299 12.105 -6.413 1.00 1.18 H new ATOM 903 N GLU A 263 2.140 8.931 -0.450 1.00 0.26 N ATOM 904 CA GLU A 263 2.326 9.949 0.577 1.00 0.30 C ATOM 905 C GLU A 263 3.367 9.463 1.581 1.00 0.28 C ATOM 906 O GLU A 263 3.454 8.267 1.846 1.00 0.33 O ATOM 907 CB GLU A 263 0.997 10.224 1.288 1.00 0.37 C ATOM 908 CG GLU A 263 1.001 11.476 2.149 1.00 0.56 C ATOM 909 CD GLU A 263 1.116 12.746 1.331 1.00 1.07 C ATOM 910 OE1 GLU A 263 0.304 12.942 0.405 1.00 1.79 O ATOM 911 OE2 GLU A 263 2.031 13.553 1.603 1.00 1.73 O ATOM 0 H GLU A 263 2.333 7.981 -0.134 1.00 0.26 H new ATOM 0 HA GLU A 263 2.672 10.874 0.116 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.209 10.313 0.540 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.748 9.367 1.913 1.00 0.37 H new ATOM 0 HG2 GLU A 263 0.085 11.510 2.739 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.831 11.425 2.853 1.00 0.56 H new ATOM 918 N SER A 264 4.231 10.351 2.039 1.00 0.34 N ATOM 919 CA SER A 264 5.299 9.958 2.940 1.00 0.36 C ATOM 920 C SER A 264 5.141 10.622 4.298 1.00 0.34 C ATOM 921 O SER A 264 4.860 11.819 4.390 1.00 0.39 O ATOM 922 CB SER A 264 6.656 10.323 2.348 1.00 0.46 C ATOM 923 OG SER A 264 7.692 9.579 2.965 1.00 1.41 O ATOM 0 H SER A 264 4.215 11.343 1.804 1.00 0.34 H new ATOM 0 HA SER A 264 5.242 8.878 3.072 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.653 10.130 1.275 1.00 0.46 H new ATOM 0 HB3 SER A 264 6.840 11.389 2.480 1.00 0.46 H new ATOM 0 HG SER A 264 8.561 9.936 2.687 1.00 1.41 H new ATOM 929 N ILE A 265 5.354 9.844 5.349 1.00 0.31 N ATOM 930 CA ILE A 265 5.293 10.358 6.707 1.00 0.34 C ATOM 931 C ILE A 265 6.520 9.913 7.501 1.00 0.38 C ATOM 932 O ILE A 265 6.581 8.776 7.975 1.00 0.42 O ATOM 933 CB ILE A 265 4.011 9.905 7.447 1.00 0.42 C ATOM 934 CG1 ILE A 265 2.763 10.431 6.737 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.027 10.381 8.894 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.155 9.452 5.754 1.00 1.31 C ATOM 0 H ILE A 265 5.572 8.850 5.285 1.00 0.31 H new ATOM 0 HA ILE A 265 5.273 11.445 6.634 1.00 0.34 H new ATOM 0 HB ILE A 265 3.985 8.815 7.438 1.00 0.42 H new ATOM 0 HG12 ILE A 265 2.014 10.691 7.485 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.018 11.350 6.209 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.117 10.052 9.395 1.00 0.73 H new ATOM 0 HG22 ILE A 265 4.894 9.963 9.405 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.081 11.469 8.918 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.275 9.899 5.292 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.886 9.210 4.982 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.866 8.541 6.279 1.00 1.31 H new ATOM 948 N GLY A 266 7.493 10.815 7.634 1.00 0.48 N ATOM 949 CA GLY A 266 8.693 10.526 8.412 1.00 0.65 C ATOM 950 C GLY A 266 9.326 9.197 8.051 1.00 0.86 C ATOM 951 O GLY A 266 9.344 8.282 8.879 1.00 1.93 O ATOM 0 H GLY A 266 7.472 11.745 7.215 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.420 11.323 8.257 1.00 0.65 H new ATOM 0 HA3 GLY A 266 8.441 10.526 9.472 1.00 0.65 H new ATOM 955 N ALA A 267 9.675 9.046 6.768 1.00 0.48 N ATOM 956 CA ALA A 267 10.167 7.780 6.208 1.00 0.39 C ATOM 957 C ALA A 267 9.040 6.794 5.991 1.00 0.30 C ATOM 958 O ALA A 267 9.056 6.040 5.015 1.00 0.32 O ATOM 959 CB ALA A 267 11.227 7.128 7.069 1.00 0.44 C ATOM 0 H ALA A 267 9.624 9.802 6.085 1.00 0.48 H new ATOM 0 HA ALA A 267 10.617 8.042 5.251 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.551 6.197 6.604 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.079 7.800 7.168 1.00 0.44 H new ATOM 0 HB3 ALA A 267 10.815 6.916 8.056 1.00 0.44 H new ATOM 965 N LYS A 268 8.098 6.741 6.925 1.00 0.26 N ATOM 966 CA LYS A 268 7.004 5.807 6.806 1.00 0.25 C ATOM 967 C LYS A 268 6.164 6.170 5.600 1.00 0.29 C ATOM 968 O LYS A 268 5.540 7.231 5.538 1.00 0.47 O ATOM 969 CB LYS A 268 6.161 5.753 8.079 1.00 0.28 C ATOM 970 CG LYS A 268 6.850 5.029 9.224 1.00 0.30 C ATOM 971 CD LYS A 268 5.960 4.987 10.455 1.00 0.41 C ATOM 972 CE LYS A 268 6.644 4.284 11.614 1.00 1.20 C ATOM 973 NZ LYS A 268 5.838 4.355 12.861 1.00 2.00 N ATOM 0 H LYS A 268 8.075 7.328 7.759 1.00 0.26 H new ATOM 0 HA LYS A 268 7.414 4.807 6.666 1.00 0.25 H new ATOM 0 HB2 LYS A 268 5.922 6.769 8.392 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.216 5.256 7.860 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.102 4.014 8.918 1.00 0.30 H new ATOM 0 HG3 LYS A 268 7.787 5.531 9.465 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.696 6.003 10.749 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.029 4.473 10.215 1.00 0.41 H new ATOM 0 HE2 LYS A 268 6.818 3.240 11.353 1.00 1.20 H new ATOM 0 HE3 LYS A 268 7.621 4.736 11.787 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.340 3.863 13.627 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 5.693 5.351 13.125 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 4.916 3.901 12.704 1.00 2.00 H new ATOM 987 N ARG A 269 6.272 5.337 4.592 1.00 0.16 N ATOM 988 CA ARG A 269 5.635 5.588 3.332 1.00 0.16 C ATOM 989 C ARG A 269 4.203 5.102 3.352 1.00 0.18 C ATOM 990 O ARG A 269 3.848 4.202 4.108 1.00 0.17 O ATOM 991 CB ARG A 269 6.406 4.927 2.198 1.00 0.20 C ATOM 992 CG ARG A 269 5.822 5.226 0.843 1.00 0.53 C ATOM 993 CD ARG A 269 5.909 6.712 0.514 1.00 0.79 C ATOM 994 NE ARG A 269 7.262 7.240 0.676 1.00 0.69 N ATOM 995 CZ ARG A 269 7.730 8.314 0.036 1.00 0.97 C ATOM 996 NH1 ARG A 269 7.035 8.873 -0.950 1.00 1.85 N ATOM 997 NH2 ARG A 269 8.902 8.820 0.381 1.00 1.17 N ATOM 0 H ARG A 269 6.805 4.468 4.628 1.00 0.16 H new ATOM 0 HA ARG A 269 5.631 6.665 3.162 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.442 5.264 2.224 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.418 3.848 2.353 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.351 4.652 0.083 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.780 4.906 0.816 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.579 6.874 -0.512 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.226 7.265 1.159 1.00 0.79 H new ATOM 0 HE ARG A 269 7.889 6.757 1.319 1.00 0.69 H new ATOM 0 HH11 ARG A 269 6.134 8.481 -1.225 1.00 1.85 H new ATOM 0 HH12 ARG A 269 7.403 9.693 -1.432 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.442 8.390 1.132 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.266 9.640 -0.104 1.00 1.17 H new ATOM 1011 N THR A 270 3.361 5.805 2.638 1.00 0.18 N ATOM 1012 CA THR A 270 1.963 5.501 2.621 1.00 0.18 C ATOM 1013 C THR A 270 1.395 5.551 1.205 1.00 0.19 C ATOM 1014 O THR A 270 1.615 6.513 0.463 1.00 0.22 O ATOM 1015 CB THR A 270 1.207 6.474 3.538 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.457 6.144 4.913 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.273 6.437 3.261 1.00 0.24 C ATOM 0 H THR A 270 3.629 6.599 2.057 1.00 0.18 H new ATOM 0 HA THR A 270 1.832 4.484 2.990 1.00 0.18 H new ATOM 0 HB THR A 270 1.567 7.483 3.337 1.00 0.20 H new ATOM 0 HG1 THR A 270 0.855 6.660 5.488 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.785 7.135 3.924 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.456 6.720 2.224 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.650 5.429 3.434 1.00 0.24 H new ATOM 1025 N LEU A 271 0.617 4.538 0.861 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.098 4.529 -0.403 1.00 0.17 C ATOM 1027 C LEU A 271 -1.582 4.762 -0.135 1.00 0.16 C ATOM 1028 O LEU A 271 -2.274 3.867 0.325 1.00 0.17 O ATOM 1029 CB LEU A 271 0.111 3.187 -1.111 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.353 3.091 -2.570 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.849 2.836 -2.664 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.037 4.348 -3.332 1.00 0.49 C ATOM 0 H LEU A 271 0.465 3.712 1.440 1.00 0.17 H new ATOM 0 HA LEU A 271 0.282 5.321 -1.048 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.174 2.948 -1.077 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.408 2.418 -0.539 1.00 0.20 H new ATOM 0 HG LEU A 271 0.149 2.239 -3.029 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.142 2.774 -3.712 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.090 1.898 -2.163 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.388 3.653 -2.184 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.299 4.266 -4.366 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.431 5.216 -2.867 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.120 4.465 -3.311 1.00 0.49 H new ATOM 1044 N THR A 272 -2.062 5.964 -0.358 1.00 0.18 N ATOM 1045 CA THR A 272 -3.449 6.274 -0.064 1.00 0.21 C ATOM 1046 C THR A 272 -4.370 5.787 -1.183 1.00 0.22 C ATOM 1047 O THR A 272 -4.375 6.318 -2.291 1.00 0.29 O ATOM 1048 CB THR A 272 -3.644 7.785 0.166 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.606 8.280 1.024 1.00 0.33 O ATOM 1050 CG2 THR A 272 -5.000 8.069 0.793 1.00 0.30 C ATOM 0 H THR A 272 -1.520 6.740 -0.739 1.00 0.18 H new ATOM 0 HA THR A 272 -3.714 5.750 0.854 1.00 0.21 H new ATOM 0 HB THR A 272 -3.597 8.288 -0.800 1.00 0.27 H new ATOM 0 HG1 THR A 272 -1.772 8.362 0.515 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.113 9.142 0.945 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.789 7.711 0.131 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.072 7.557 1.753 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.188 4.812 -0.858 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.185 4.302 -1.779 1.00 0.26 C ATOM 1060 C ILE A 273 -7.530 4.940 -1.456 1.00 0.28 C ATOM 1061 O ILE A 273 -8.033 4.827 -0.333 1.00 0.27 O ATOM 1062 CB ILE A 273 -6.245 2.744 -1.742 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.690 2.173 -3.044 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.653 2.207 -1.497 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.541 2.496 -4.253 1.00 0.86 C ATOM 0 H ILE A 273 -5.183 4.349 0.051 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.911 4.570 -2.799 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.633 2.423 -0.899 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.684 2.561 -3.203 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.602 1.091 -2.949 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.629 1.117 -1.482 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -8.021 2.575 -0.539 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.315 2.545 -2.294 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.088 2.060 -5.144 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.541 2.084 -4.115 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.608 3.577 -4.372 1.00 0.86 H new ATOM 1077 N SER A 274 -7.999 5.767 -2.374 1.00 0.33 N ATOM 1078 CA SER A 274 -9.176 6.573 -2.133 1.00 0.39 C ATOM 1079 C SER A 274 -10.337 6.104 -2.996 1.00 0.45 C ATOM 1080 O SER A 274 -10.124 5.561 -4.082 1.00 0.50 O ATOM 1081 CB SER A 274 -8.871 8.051 -2.398 1.00 0.52 C ATOM 1082 OG SER A 274 -9.936 8.883 -1.968 1.00 1.13 O ATOM 0 H SER A 274 -7.579 5.896 -3.295 1.00 0.33 H new ATOM 0 HA SER A 274 -9.463 6.459 -1.088 1.00 0.39 H new ATOM 0 HB2 SER A 274 -7.954 8.334 -1.880 1.00 0.52 H new ATOM 0 HB3 SER A 274 -8.695 8.203 -3.463 1.00 0.52 H new ATOM 0 HG SER A 274 -9.712 9.820 -2.148 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.559 6.311 -2.497 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.772 5.908 -3.201 1.00 0.62 C ATOM 1090 C GLN A 275 -12.732 4.414 -3.490 1.00 0.62 C ATOM 1091 O GLN A 275 -12.920 3.970 -4.623 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.946 6.722 -4.488 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.019 8.218 -4.233 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.237 9.027 -5.491 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -12.418 9.009 -6.410 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -14.346 9.742 -5.542 1.00 2.27 N ATOM 0 H GLN A 275 -11.731 6.761 -1.598 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.635 6.110 -2.566 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -12.114 6.513 -5.160 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.855 6.400 -4.996 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -13.829 8.421 -3.533 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.095 8.544 -3.755 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -14.998 9.728 -4.758 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -14.551 10.308 -6.366 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.500 3.655 -2.430 1.00 0.60 N ATOM 1106 CA CYS A 276 -12.384 2.224 -2.486 1.00 0.69 C ATOM 1107 C CYS A 276 -12.829 1.697 -1.160 1.00 0.75 C ATOM 1108 O CYS A 276 -12.269 2.044 -0.120 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.940 1.805 -2.762 1.00 0.80 C ATOM 1110 SG CYS A 276 -10.310 2.280 -4.388 1.00 2.00 S ATOM 0 H CYS A 276 -12.386 4.035 -1.490 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.997 1.824 -3.294 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -10.297 2.242 -1.997 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -10.865 0.722 -2.661 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.584 1.316 -4.871 1.00 2.00 H new ATOM 1116 N SER A 277 -13.970 1.076 -1.172 1.00 0.54 N ATOM 1117 CA SER A 277 -14.589 0.673 0.047 1.00 0.52 C ATOM 1118 C SER A 277 -14.945 -0.799 -0.037 1.00 0.48 C ATOM 1119 O SER A 277 -14.075 -1.623 -0.324 1.00 0.47 O ATOM 1120 CB SER A 277 -15.822 1.535 0.312 1.00 0.56 C ATOM 1121 OG SER A 277 -16.688 1.552 -0.810 1.00 0.63 O ATOM 0 H SER A 277 -14.490 0.838 -2.017 1.00 0.54 H new ATOM 0 HA SER A 277 -13.901 0.813 0.881 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.357 1.152 1.181 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.513 2.552 0.551 1.00 0.56 H new ATOM 0 HG SER A 277 -17.469 2.110 -0.612 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.223 -1.120 0.152 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.696 -2.498 0.088 1.00 0.54 C ATOM 1129 C LEU A 278 -16.694 -3.020 -1.353 1.00 0.58 C ATOM 1130 O LEU A 278 -17.718 -3.469 -1.867 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.101 -2.616 0.684 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.156 -2.822 2.201 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.587 -4.182 2.573 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.407 -1.715 2.924 1.00 0.79 C ATOM 0 H LEU A 278 -16.954 -0.437 0.352 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.010 -3.109 0.675 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.659 -1.713 0.437 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.613 -3.449 0.202 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.200 -2.786 2.513 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.633 -4.312 3.654 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.169 -4.965 2.088 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.550 -4.245 2.244 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.460 -1.882 4.000 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.364 -1.715 2.608 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.859 -0.753 2.684 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.552 -2.896 -2.013 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.404 -3.295 -3.402 1.00 0.61 C ATOM 1148 C ALA A 279 -13.936 -3.525 -3.731 1.00 0.58 C ATOM 1149 O ALA A 279 -13.589 -4.514 -4.378 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.999 -2.246 -4.330 1.00 0.71 C ATOM 0 H ALA A 279 -14.701 -2.515 -1.599 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.946 -4.229 -3.551 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.877 -2.565 -5.365 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.060 -2.125 -4.110 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.487 -1.296 -4.181 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.062 -2.621 -3.280 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.630 -2.777 -3.540 1.00 0.59 C ATOM 1158 C ASP A 280 -11.002 -3.758 -2.548 1.00 0.50 C ATOM 1159 O ASP A 280 -9.804 -4.040 -2.603 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.914 -1.429 -3.477 1.00 0.70 C ATOM 1161 CG ASP A 280 -9.749 -1.360 -4.445 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -9.588 -2.286 -5.267 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -8.960 -0.393 -4.364 1.00 1.84 O ATOM 0 H ASP A 280 -13.314 -1.790 -2.744 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.515 -3.180 -4.546 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.622 -0.631 -3.704 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -10.554 -1.257 -2.463 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.844 -4.325 -1.690 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.437 -5.355 -0.736 1.00 0.33 C ATOM 1170 C ASP A 281 -10.779 -6.530 -1.463 1.00 0.34 C ATOM 1171 O ASP A 281 -11.372 -7.107 -2.382 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.676 -5.812 0.044 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.562 -7.210 0.622 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.759 -7.424 1.551 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -13.302 -8.101 0.156 1.00 0.81 O ATOM 0 H ASP A 281 -12.833 -4.083 -1.635 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.701 -4.950 -0.042 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -12.861 -5.109 0.856 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.543 -5.773 -0.616 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.524 -6.811 -1.104 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.714 -7.825 -1.787 1.00 0.37 C ATOM 1182 C ALA A 282 -7.345 -7.956 -1.121 1.00 0.35 C ATOM 1183 O ALA A 282 -7.270 -8.251 0.067 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.576 -7.484 -3.268 1.00 0.48 C ATOM 0 H ALA A 282 -9.042 -6.345 -0.335 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.218 -8.788 -1.707 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.972 -8.245 -3.762 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.564 -7.450 -3.727 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.093 -6.513 -3.374 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.264 -7.707 -1.863 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.923 -7.727 -1.290 1.00 0.17 C ATOM 1192 C ALA A 283 -4.018 -6.762 -2.041 1.00 0.15 C ATOM 1193 O ALA A 283 -3.980 -6.781 -3.273 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.336 -9.134 -1.309 1.00 0.22 C ATOM 0 H ALA A 283 -6.294 -7.490 -2.859 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.993 -7.409 -0.250 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.336 -9.117 -0.876 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.972 -9.802 -0.728 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.280 -9.491 -2.337 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.263 -5.951 -1.306 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.315 -5.031 -1.925 1.00 0.13 C ATOM 1202 C TYR A 284 -0.890 -5.281 -1.418 1.00 0.14 C ATOM 1203 O TYR A 284 -0.568 -5.023 -0.258 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.691 -3.552 -1.688 1.00 0.15 C ATOM 1205 CG TYR A 284 -3.800 -3.004 -2.575 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -4.749 -3.858 -3.151 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -3.922 -1.644 -2.824 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -5.765 -3.365 -3.940 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -4.944 -1.148 -3.609 1.00 0.32 C ATOM 1210 CZ TYR A 284 -5.793 -1.990 -4.232 1.00 0.35 C ATOM 1211 OH TYR A 284 -6.893 -1.522 -4.921 1.00 0.41 O ATOM 0 H TYR A 284 -3.289 -5.912 -0.287 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.358 -5.224 -2.997 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -2.992 -3.435 -0.647 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -1.800 -2.942 -1.833 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.683 -4.921 -2.974 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.204 -0.961 -2.396 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.528 -4.024 -4.328 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.064 -0.081 -3.724 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.351 -0.843 -4.383 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.013 -5.657 -2.338 1.00 0.13 N ATOM 1222 CA GLN A 285 1.403 -5.792 -2.070 1.00 0.13 C ATOM 1223 C GLN A 285 2.093 -4.438 -2.202 1.00 0.12 C ATOM 1224 O GLN A 285 1.517 -3.487 -2.723 1.00 0.13 O ATOM 1225 CB GLN A 285 2.058 -6.792 -3.032 1.00 0.12 C ATOM 1226 CG GLN A 285 1.444 -8.182 -3.007 1.00 0.15 C ATOM 1227 CD GLN A 285 0.191 -8.302 -3.845 1.00 0.21 C ATOM 1228 OE1 GLN A 285 0.004 -7.382 -4.778 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.593 -9.230 -3.668 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.272 -5.878 -3.300 1.00 0.13 H new ATOM 0 HA GLN A 285 1.515 -6.165 -1.052 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.993 -6.398 -4.046 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.117 -6.872 -2.788 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.180 -8.902 -3.363 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.210 -8.449 -1.976 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.412 -9.918 -2.937 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.426 -9.313 -4.251 1.00 0.18 H new ATOM 1238 N CYS A 286 3.324 -4.362 -1.735 1.00 0.14 N ATOM 1239 CA CYS A 286 4.100 -3.128 -1.809 1.00 0.19 C ATOM 1240 C CYS A 286 5.373 -3.358 -2.558 1.00 0.19 C ATOM 1241 O CYS A 286 5.892 -4.464 -2.528 1.00 0.20 O ATOM 1242 CB CYS A 286 4.434 -2.652 -0.434 1.00 0.28 C ATOM 1243 SG CYS A 286 5.385 -3.829 0.549 1.00 1.00 S ATOM 0 H CYS A 286 3.815 -5.142 -1.297 1.00 0.14 H new ATOM 0 HA CYS A 286 3.501 -2.379 -2.327 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.997 -1.722 -0.511 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.508 -2.421 0.093 1.00 0.28 H new ATOM 0 HG CYS A 286 6.543 -3.315 0.841 1.00 1.00 H new ATOM 1249 N VAL A 287 5.742 -2.422 -3.418 1.00 0.20 N ATOM 1250 CA VAL A 287 6.777 -2.727 -4.375 1.00 0.21 C ATOM 1251 C VAL A 287 7.697 -1.540 -4.685 1.00 0.22 C ATOM 1252 O VAL A 287 7.268 -0.411 -4.931 1.00 0.24 O ATOM 1253 CB VAL A 287 6.141 -3.341 -5.654 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.642 -3.533 -5.434 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.412 -2.516 -6.903 1.00 0.27 C ATOM 0 H VAL A 287 5.354 -1.480 -3.470 1.00 0.20 H new ATOM 0 HA VAL A 287 7.437 -3.467 -3.922 1.00 0.21 H new ATOM 0 HB VAL A 287 6.611 -4.309 -5.828 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.195 -3.963 -6.330 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.481 -4.204 -4.590 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.179 -2.569 -5.225 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.944 -2.994 -7.763 1.00 0.27 H new ATOM 0 HG22 VAL A 287 6.000 -1.515 -6.775 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.487 -2.447 -7.067 1.00 0.27 H new ATOM 1265 N VAL A 288 8.983 -1.824 -4.691 1.00 0.24 N ATOM 1266 CA VAL A 288 9.983 -0.834 -5.036 1.00 0.26 C ATOM 1267 C VAL A 288 11.044 -1.493 -5.901 1.00 0.33 C ATOM 1268 O VAL A 288 11.736 -2.410 -5.454 1.00 0.37 O ATOM 1269 CB VAL A 288 10.642 -0.206 -3.785 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.812 0.678 -4.175 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.632 0.599 -2.983 1.00 0.36 C ATOM 0 H VAL A 288 9.363 -2.742 -4.458 1.00 0.24 H new ATOM 0 HA VAL A 288 9.490 -0.027 -5.578 1.00 0.26 H new ATOM 0 HB VAL A 288 11.011 -1.022 -3.163 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.258 1.108 -3.278 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.558 0.083 -4.702 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.462 1.479 -4.825 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.121 1.029 -2.109 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.229 1.399 -3.604 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.821 -0.053 -2.660 1.00 0.36 H new ATOM 1281 N GLY A 289 11.106 -1.078 -7.156 1.00 0.43 N ATOM 1282 CA GLY A 289 12.042 -1.668 -8.092 1.00 0.57 C ATOM 1283 C GLY A 289 11.789 -3.147 -8.330 1.00 0.73 C ATOM 1284 O GLY A 289 12.729 -3.935 -8.411 1.00 1.51 O ATOM 0 H GLY A 289 10.522 -0.339 -7.546 1.00 0.43 H new ATOM 0 HA2 GLY A 289 11.981 -1.137 -9.042 1.00 0.57 H new ATOM 0 HA3 GLY A 289 13.056 -1.534 -7.716 1.00 0.57 H new ATOM 1288 N GLY A 290 10.523 -3.521 -8.480 1.00 0.41 N ATOM 1289 CA GLY A 290 10.188 -4.907 -8.769 1.00 0.41 C ATOM 1290 C GLY A 290 9.839 -5.715 -7.533 1.00 0.37 C ATOM 1291 O GLY A 290 9.006 -6.622 -7.594 1.00 0.64 O ATOM 0 H GLY A 290 9.723 -2.892 -8.407 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.345 -4.932 -9.460 1.00 0.41 H new ATOM 0 HA3 GLY A 290 11.030 -5.378 -9.276 1.00 0.41 H new ATOM 1295 N GLU A 291 10.506 -5.428 -6.425 1.00 0.27 N ATOM 1296 CA GLU A 291 10.279 -6.148 -5.175 1.00 0.22 C ATOM 1297 C GLU A 291 8.863 -5.895 -4.657 1.00 0.16 C ATOM 1298 O GLU A 291 8.524 -4.751 -4.412 1.00 0.19 O ATOM 1299 CB GLU A 291 11.304 -5.668 -4.135 1.00 0.26 C ATOM 1300 CG GLU A 291 12.738 -6.021 -4.494 1.00 0.53 C ATOM 1301 CD GLU A 291 13.761 -5.348 -3.600 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.384 -4.455 -2.812 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.958 -5.696 -3.700 1.00 2.11 O ATOM 0 H GLU A 291 11.214 -4.697 -6.364 1.00 0.27 H new ATOM 0 HA GLU A 291 10.393 -7.218 -5.351 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.220 -4.587 -4.025 1.00 0.26 H new ATOM 0 HB3 GLU A 291 11.061 -6.106 -3.167 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.866 -7.102 -4.432 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.927 -5.737 -5.529 1.00 0.53 H new ATOM 1310 N LYS A 292 8.068 -6.952 -4.420 1.00 0.18 N ATOM 1311 CA LYS A 292 6.722 -6.784 -3.859 1.00 0.16 C ATOM 1312 C LYS A 292 6.510 -7.643 -2.604 1.00 0.17 C ATOM 1313 O LYS A 292 6.922 -8.801 -2.541 1.00 0.29 O ATOM 1314 CB LYS A 292 5.636 -7.071 -4.899 1.00 0.18 C ATOM 1315 CG LYS A 292 5.567 -8.501 -5.392 1.00 0.23 C ATOM 1316 CD LYS A 292 4.246 -8.739 -6.100 1.00 0.29 C ATOM 1317 CE LYS A 292 4.186 -10.101 -6.772 1.00 0.49 C ATOM 1318 NZ LYS A 292 5.117 -10.206 -7.926 1.00 1.33 N ATOM 0 H LYS A 292 8.332 -7.919 -4.606 1.00 0.18 H new ATOM 0 HA LYS A 292 6.638 -5.738 -3.563 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.669 -6.805 -4.472 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.796 -6.417 -5.756 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.395 -8.701 -6.072 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.669 -9.190 -4.553 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.431 -8.656 -5.381 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.092 -7.961 -6.848 1.00 0.29 H new ATOM 0 HE2 LYS A 292 4.428 -10.874 -6.042 1.00 0.49 H new ATOM 0 HE3 LYS A 292 3.168 -10.291 -7.112 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 4.910 -11.073 -8.461 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 4.997 -9.379 -8.546 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 6.097 -10.239 -7.580 1.00 1.33 H new ATOM 1332 N CYS A 293 5.854 -7.047 -1.609 1.00 0.16 N ATOM 1333 CA CYS A 293 5.533 -7.720 -0.348 1.00 0.18 C ATOM 1334 C CYS A 293 4.033 -7.649 -0.114 1.00 0.15 C ATOM 1335 O CYS A 293 3.432 -6.590 -0.298 1.00 0.14 O ATOM 1336 CB CYS A 293 6.280 -7.073 0.818 1.00 0.28 C ATOM 1337 SG CYS A 293 8.040 -7.474 0.881 1.00 1.55 S ATOM 0 H CYS A 293 5.529 -6.081 -1.653 1.00 0.16 H new ATOM 0 HA CYS A 293 5.846 -8.762 -0.411 1.00 0.18 H new ATOM 0 HB2 CYS A 293 6.167 -5.991 0.752 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.814 -7.386 1.752 1.00 0.28 H new ATOM 0 HG CYS A 293 8.585 -6.878 1.900 1.00 1.55 H new ATOM 1343 N SER A 294 3.411 -8.800 0.093 1.00 0.17 N ATOM 1344 CA SER A 294 1.958 -8.897 0.074 1.00 0.18 C ATOM 1345 C SER A 294 1.300 -8.478 1.378 1.00 0.17 C ATOM 1346 O SER A 294 1.795 -8.749 2.470 1.00 0.20 O ATOM 1347 CB SER A 294 1.542 -10.322 -0.285 1.00 0.27 C ATOM 1348 OG SER A 294 2.146 -11.260 0.586 1.00 0.61 O ATOM 0 H SER A 294 3.890 -9.682 0.276 1.00 0.17 H new ATOM 0 HA SER A 294 1.610 -8.194 -0.683 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.457 -10.413 -0.228 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.827 -10.540 -1.314 1.00 0.27 H new ATOM 0 HG SER A 294 1.864 -12.165 0.338 1.00 0.61 H new ATOM 1354 N THR A 295 0.127 -7.887 1.231 1.00 0.17 N ATOM 1355 CA THR A 295 -0.701 -7.510 2.356 1.00 0.15 C ATOM 1356 C THR A 295 -2.170 -7.615 1.952 1.00 0.15 C ATOM 1357 O THR A 295 -2.548 -7.187 0.861 1.00 0.15 O ATOM 1358 CB THR A 295 -0.350 -6.080 2.841 1.00 0.18 C ATOM 1359 OG1 THR A 295 0.118 -6.124 4.190 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.520 -5.115 2.734 1.00 0.20 C ATOM 0 H THR A 295 -0.277 -7.656 0.323 1.00 0.17 H new ATOM 0 HA THR A 295 -0.515 -8.188 3.189 1.00 0.15 H new ATOM 0 HB THR A 295 0.434 -5.706 2.183 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.080 -5.273 4.633 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.213 -4.131 3.088 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.839 -5.044 1.694 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.348 -5.478 3.343 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.970 -8.276 2.773 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.378 -8.467 2.463 1.00 0.15 C ATOM 1370 C GLU A 296 -5.149 -7.196 2.783 1.00 0.14 C ATOM 1371 O GLU A 296 -4.766 -6.424 3.666 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.929 -9.669 3.224 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.017 -10.877 3.129 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.588 -12.121 3.778 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.676 -12.032 4.385 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -3.966 -13.197 3.677 1.00 0.96 O ATOM 0 H GLU A 296 -2.670 -8.688 3.656 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.493 -8.674 1.399 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.066 -9.401 4.272 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.912 -9.927 2.830 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.813 -11.086 2.079 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.062 -10.639 3.598 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.116 -6.900 1.943 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.841 -5.651 2.019 1.00 0.15 C ATOM 1385 C LEU A 297 -8.307 -5.894 2.338 1.00 0.15 C ATOM 1386 O LEU A 297 -9.078 -6.318 1.478 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.703 -4.902 0.694 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.366 -3.531 0.655 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.868 -2.688 1.817 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.072 -2.852 -0.673 1.00 0.29 C ATOM 0 H LEU A 297 -6.421 -7.516 1.190 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.419 -5.047 2.822 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.643 -4.782 0.471 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.128 -5.517 -0.099 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.446 -3.646 0.749 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.344 -1.708 1.786 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.115 -3.182 2.757 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.787 -2.569 1.743 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.549 -1.872 -0.694 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -5.995 -2.734 -0.791 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.461 -3.463 -1.488 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.686 -5.537 3.552 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.065 -5.630 4.008 1.00 0.19 C ATOM 1404 C PHE A 298 -10.637 -4.227 4.135 1.00 0.19 C ATOM 1405 O PHE A 298 -9.905 -3.288 4.413 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.149 -6.335 5.371 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.646 -7.755 5.384 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.304 -8.040 5.179 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.520 -8.806 5.610 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.847 -9.343 5.200 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.068 -10.112 5.631 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.729 -10.380 5.425 1.00 0.45 C ATOM 0 H PHE A 298 -8.043 -5.172 4.255 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.635 -6.212 3.284 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.579 -5.757 6.098 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.187 -6.330 5.703 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.608 -7.233 5.001 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.568 -8.602 5.772 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.799 -9.550 5.040 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.761 -10.921 5.808 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.373 -11.399 5.440 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.925 -4.062 3.919 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.520 -2.749 4.075 1.00 0.28 C ATOM 1424 C VAL A 299 -13.528 -2.728 5.221 1.00 0.32 C ATOM 1425 O VAL A 299 -14.359 -3.630 5.362 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.170 -2.237 2.771 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.098 -3.267 2.164 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.900 -0.928 3.021 1.00 0.35 C ATOM 0 H VAL A 299 -12.569 -4.802 3.641 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.705 -2.068 4.319 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.372 -2.058 2.050 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.535 -2.868 1.248 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.536 -4.172 1.934 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.892 -3.503 2.872 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.352 -0.581 2.092 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.678 -1.082 3.768 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.194 -0.181 3.382 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.453 -1.677 6.023 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.367 -1.469 7.121 1.00 0.41 C ATOM 1440 C LYS A 300 -15.424 -0.459 6.705 1.00 0.40 C ATOM 1441 O LYS A 300 -15.093 0.612 6.183 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.597 -0.959 8.342 1.00 0.48 C ATOM 1443 CG LYS A 300 -14.405 -0.950 9.624 1.00 1.17 C ATOM 1444 CD LYS A 300 -13.561 -0.498 10.800 1.00 1.72 C ATOM 1445 CE LYS A 300 -14.357 -0.510 12.091 1.00 2.32 C ATOM 1446 NZ LYS A 300 -13.543 -0.069 13.251 1.00 3.03 N ATOM 0 H LYS A 300 -12.750 -0.944 5.925 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.853 -2.409 7.382 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.713 -1.581 8.487 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.245 0.053 8.140 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -15.263 -0.287 9.512 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -14.797 -1.948 9.817 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -12.694 -1.151 10.900 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -13.183 0.507 10.613 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -15.224 0.142 11.988 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -14.735 -1.516 12.275 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -14.125 -0.092 14.112 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -12.729 -0.706 13.366 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -13.204 0.901 13.088 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.686 -0.811 6.901 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.788 0.067 6.533 1.00 0.57 C ATOM 1462 C GLU A 301 -17.819 1.306 7.424 1.00 0.65 C ATOM 1463 O GLU A 301 -17.004 1.389 8.369 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.123 -0.663 6.649 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.395 -1.612 5.505 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.686 -2.380 5.671 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.434 -2.088 6.625 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -20.955 -3.294 4.862 1.00 1.21 O ATOM 1469 OXT GLU A 301 -18.675 2.186 7.192 1.00 1.20 O ATOM 0 H GLU A 301 -16.973 -1.699 7.313 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.631 0.373 5.499 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.142 -1.221 7.585 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -19.926 0.072 6.699 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.431 -1.048 4.573 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.568 -2.316 5.420 1.00 0.66 H new