USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 692 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 218 LYS NZ :NH3+ 160:sc= 1.98 (180deg=0.00906) USER MOD Set 1.2: A 295 THR OG1 : rot -150:sc= -2.68! USER MOD Set 2.1: A 223 TYR OH : rot 161:sc= -1.97! USER MOD Set 2.2: A 286 CYS SG : rot -88:sc= -2.26! USER MOD Set 3.1: A 234 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 270 THR OG1 : rot 180:sc= 0 USER MOD Single : A 216 GLN :FLIP amide:sc= -0.236 F(o=-2.4!,f=-0.24) USER MOD Single : A 217 LYS NZ :NH3+ 170:sc= -0.0167 (180deg=-0.152) 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= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 230 LYS NZ :NH3+ -168:sc= 1.19 (180deg=1.03) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.279 F(o=-2.1,f=0.28) USER MOD Single : A 245 LYS NZ :NH3+ 172:sc= -2.4! (180deg=-2.53!) USER MOD Single : A 248 LYS NZ :NH3+ -114:sc= 1.18 (180deg=-0.141) USER MOD Single : A 249 ASN :FLIP amide:sc= -2.51 F(o=-3.5!,f=-2.5) USER MOD Single : A 251 GLN :FLIP amide:sc= -0.0478 F(o=-1.9,f=-0.048) USER MOD Single : A 254 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 255 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 256 SER OG : rot 180:sc= -0.0369 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 LYS NZ :NH3+ 165:sc= -0.0147 (180deg=-0.169) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 276 CYS SG : rot -120:sc= -2.64! USER MOD Single : A 277 SER OG : rot 180:sc= -0.0115 USER MOD Single : A 284 TYR OH : rot 86:sc= 0.73 USER MOD Single : A 285 GLN :FLIP amide:sc= -12.4! C(o=-16!,f=-12!) USER MOD Single : A 292 LYS NZ :NH3+ -158:sc= -0.114 (180deg=-0.654) USER MOD Single : A 293 CYS SG : rot -45:sc= -3.46! USER MOD Single : A 294 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 11.901 -3.005 0.021 1.00 0.50 N ATOM 98 CA ALA A 214 12.587 -1.883 0.621 1.00 0.39 C ATOM 99 C ALA A 214 11.708 -1.201 1.650 1.00 0.25 C ATOM 100 O ALA A 214 11.938 -0.050 2.013 1.00 0.27 O ATOM 101 CB ALA A 214 12.988 -0.885 -0.434 1.00 0.48 C ATOM 0 HA ALA A 214 13.481 -2.264 1.115 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.503 -0.047 0.035 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.653 -1.363 -1.153 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.098 -0.522 -0.948 1.00 0.48 H new ATOM 107 N PHE A 215 10.742 -1.928 2.172 1.00 0.25 N ATOM 108 CA PHE A 215 9.934 -1.413 3.252 1.00 0.18 C ATOM 109 C PHE A 215 10.474 -1.979 4.542 1.00 0.21 C ATOM 110 O PHE A 215 10.299 -3.166 4.829 1.00 0.28 O ATOM 111 CB PHE A 215 8.444 -1.774 3.084 1.00 0.20 C ATOM 112 CG PHE A 215 7.860 -1.388 1.742 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.289 -2.000 0.567 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.867 -0.430 1.657 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.737 -1.657 -0.649 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.314 -0.090 0.443 1.00 0.31 C ATOM 117 CZ PHE A 215 6.825 -0.658 -0.729 1.00 0.35 C ATOM 0 H PHE A 215 10.500 -2.871 1.867 1.00 0.25 H new ATOM 0 HA PHE A 215 9.989 -0.324 3.254 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.324 -2.848 3.225 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.872 -1.283 3.871 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.063 -2.752 0.609 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.520 0.059 2.556 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.033 -2.187 -1.542 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.492 0.609 0.396 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.494 -0.302 -1.693 1.00 0.35 H new ATOM 127 N GLN A 216 11.152 -1.120 5.291 1.00 0.18 N ATOM 128 CA GLN A 216 11.720 -1.467 6.583 1.00 0.21 C ATOM 129 C GLN A 216 10.700 -2.249 7.371 1.00 0.24 C ATOM 130 O GLN A 216 10.913 -3.406 7.736 1.00 0.31 O ATOM 131 CB GLN A 216 12.050 -0.187 7.334 1.00 0.20 C ATOM 132 CG GLN A 216 13.357 -0.247 8.108 1.00 0.25 C ATOM 133 CD GLN A 216 13.659 1.033 8.867 1.00 0.30 C ATOM 134 OE1 GLN A 216 12.933 2.096 8.564 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 14.565 1.074 9.699 1.00 0.79 N flip ATOM 0 H GLN A 216 11.324 -0.153 5.014 1.00 0.18 H new ATOM 0 HA GLN A 216 12.622 -2.063 6.447 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.098 0.638 6.623 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.239 0.036 8.027 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.318 -1.079 8.811 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.173 -0.453 7.416 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.104 0.234 9.907 1.00 0.79 H new ATOM 0 HE22 GLN A 216 14.776 1.948 10.180 1.00 0.79 H new ATOM 144 N LYS A 217 9.521 -1.671 7.436 1.00 0.20 N ATOM 145 CA LYS A 217 8.374 -2.353 7.958 1.00 0.22 C ATOM 146 C LYS A 217 7.171 -2.106 7.053 1.00 0.17 C ATOM 147 O LYS A 217 6.688 -0.979 6.963 1.00 0.17 O ATOM 148 CB LYS A 217 8.101 -1.840 9.370 1.00 0.28 C ATOM 149 CG LYS A 217 6.924 -2.496 10.045 1.00 0.36 C ATOM 150 CD LYS A 217 6.681 -1.891 11.414 1.00 0.59 C ATOM 151 CE LYS A 217 5.493 -2.531 12.110 1.00 1.26 C ATOM 152 NZ LYS A 217 5.710 -3.981 12.363 1.00 1.85 N ATOM 0 H LYS A 217 9.338 -0.716 7.127 1.00 0.20 H new ATOM 0 HA LYS A 217 8.558 -3.427 7.994 1.00 0.22 H new ATOM 0 HB2 LYS A 217 8.990 -1.997 9.980 1.00 0.28 H new ATOM 0 HB3 LYS A 217 7.929 -0.764 9.328 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.033 -2.379 9.428 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.105 -3.566 10.143 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.572 -2.014 12.029 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.509 -0.819 11.313 1.00 0.59 H new ATOM 0 HE2 LYS A 217 5.309 -2.021 13.056 1.00 1.26 H new ATOM 0 HE3 LYS A 217 4.600 -2.399 11.498 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 4.958 -4.341 12.984 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 5.691 -4.498 11.461 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 6.633 -4.119 12.821 1.00 1.85 H new ATOM 166 N LYS A 218 6.561 -3.176 6.570 1.00 0.19 N ATOM 167 CA LYS A 218 5.270 -3.063 5.915 1.00 0.20 C ATOM 168 C LYS A 218 4.210 -3.419 6.940 1.00 0.18 C ATOM 169 O LYS A 218 4.459 -4.238 7.831 1.00 0.20 O ATOM 170 CB LYS A 218 5.160 -3.955 4.651 1.00 0.31 C ATOM 171 CG LYS A 218 3.800 -3.868 3.948 1.00 0.39 C ATOM 172 CD LYS A 218 2.889 -5.019 4.332 1.00 0.96 C ATOM 173 CE LYS A 218 3.303 -6.316 3.676 1.00 1.56 C ATOM 174 NZ LYS A 218 2.650 -7.491 4.310 1.00 2.42 N ATOM 0 H LYS A 218 6.935 -4.124 6.619 1.00 0.19 H new ATOM 0 HA LYS A 218 5.133 -2.043 5.557 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.941 -3.669 3.947 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.348 -4.991 4.932 1.00 0.31 H new ATOM 0 HG2 LYS A 218 3.319 -2.924 4.204 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.949 -3.868 2.868 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.898 -5.142 5.415 1.00 0.96 H new ATOM 0 HD3 LYS A 218 1.864 -4.780 4.047 1.00 0.96 H new ATOM 0 HE2 LYS A 218 3.046 -6.285 2.617 1.00 1.56 H new ATOM 0 HE3 LYS A 218 4.386 -6.425 3.738 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 2.676 -8.298 3.655 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 3.155 -7.739 5.185 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 1.661 -7.259 4.535 1.00 2.42 H new ATOM 188 N LEU A 219 3.087 -2.729 6.876 1.00 0.16 N ATOM 189 CA LEU A 219 2.006 -2.916 7.831 1.00 0.16 C ATOM 190 C LEU A 219 1.531 -4.375 7.830 1.00 0.16 C ATOM 191 O LEU A 219 1.936 -5.165 6.981 1.00 0.17 O ATOM 192 CB LEU A 219 0.853 -1.976 7.494 1.00 0.20 C ATOM 193 CG LEU A 219 -0.082 -1.636 8.659 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.657 -0.837 9.718 1.00 1.20 C ATOM 195 CD2 LEU A 219 -1.297 -0.869 8.161 1.00 1.62 C ATOM 0 H LEU A 219 2.897 -2.024 6.163 1.00 0.16 H new ATOM 0 HA LEU A 219 2.373 -2.682 8.830 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.267 -1.048 7.100 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.262 -2.425 6.696 1.00 0.20 H new ATOM 0 HG LEU A 219 -0.425 -2.568 9.109 1.00 0.66 H new ATOM 0 HD11 LEU A 219 -0.022 -0.604 10.538 1.00 1.20 H new ATOM 0 HD12 LEU A 219 1.495 -1.422 10.096 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.029 0.090 9.281 1.00 1.20 H new ATOM 0 HD21 LEU A 219 -1.950 -0.636 9.002 1.00 1.62 H new ATOM 0 HD22 LEU A 219 -0.973 0.057 7.686 1.00 1.62 H new ATOM 0 HD23 LEU A 219 -1.840 -1.477 7.438 1.00 1.62 H new ATOM 207 N GLU A 220 0.736 -4.749 8.820 1.00 0.17 N ATOM 208 CA GLU A 220 0.214 -6.115 8.929 1.00 0.20 C ATOM 209 C GLU A 220 -0.350 -6.608 7.590 1.00 0.19 C ATOM 210 O GLU A 220 -0.828 -5.810 6.781 1.00 0.19 O ATOM 211 CB GLU A 220 -0.891 -6.134 9.977 1.00 0.23 C ATOM 212 CG GLU A 220 -1.956 -5.080 9.719 1.00 0.24 C ATOM 213 CD GLU A 220 -3.015 -5.036 10.802 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.995 -5.905 11.699 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.873 -4.131 10.766 1.00 1.12 O ATOM 0 H GLU A 220 0.433 -4.125 9.568 1.00 0.17 H new ATOM 0 HA GLU A 220 1.031 -6.777 9.216 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.356 -7.120 9.992 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.455 -5.972 10.963 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.481 -4.102 9.642 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.433 -5.279 8.759 1.00 0.24 H new ATOM 222 N PRO A 221 -0.280 -7.928 7.315 1.00 0.22 N ATOM 223 CA PRO A 221 -0.763 -8.508 6.048 1.00 0.23 C ATOM 224 C PRO A 221 -2.282 -8.456 5.899 1.00 0.20 C ATOM 225 O PRO A 221 -2.862 -9.252 5.168 1.00 0.19 O ATOM 226 CB PRO A 221 -0.284 -9.958 6.110 1.00 0.29 C ATOM 227 CG PRO A 221 -0.149 -10.246 7.566 1.00 0.57 C ATOM 228 CD PRO A 221 0.299 -8.956 8.197 1.00 0.26 C ATOM 0 HA PRO A 221 -0.385 -7.951 5.191 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -0.998 -10.632 5.637 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.666 -10.084 5.591 1.00 0.29 H new ATOM 0 HG2 PRO A 221 -1.097 -10.580 7.988 1.00 0.57 H new ATOM 0 HG3 PRO A 221 0.576 -11.040 7.742 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.066 -8.860 9.220 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.386 -8.885 8.238 1.00 0.26 H new ATOM 236 N ALA A 222 -2.889 -7.424 6.459 1.00 0.20 N ATOM 237 CA ALA A 222 -4.305 -7.170 6.300 1.00 0.19 C ATOM 238 C ALA A 222 -4.598 -5.706 6.584 1.00 0.15 C ATOM 239 O ALA A 222 -4.916 -5.330 7.713 1.00 0.17 O ATOM 240 CB ALA A 222 -5.132 -8.061 7.214 1.00 0.24 C ATOM 0 H ALA A 222 -2.408 -6.737 7.039 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.582 -7.401 5.272 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.191 -7.846 7.071 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.939 -9.107 6.975 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.860 -7.870 8.252 1.00 0.24 H new ATOM 246 N TYR A 223 -4.525 -4.889 5.548 1.00 0.12 N ATOM 247 CA TYR A 223 -4.852 -3.480 5.673 1.00 0.11 C ATOM 248 C TYR A 223 -6.368 -3.338 5.673 1.00 0.13 C ATOM 249 O TYR A 223 -7.052 -3.980 4.872 1.00 0.17 O ATOM 250 CB TYR A 223 -4.262 -2.663 4.514 1.00 0.12 C ATOM 251 CG TYR A 223 -2.747 -2.523 4.496 1.00 0.12 C ATOM 252 CD1 TYR A 223 -1.952 -3.498 5.082 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.112 -1.416 3.945 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.574 -3.382 5.119 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.731 -1.291 3.983 1.00 0.20 C ATOM 256 CZ TYR A 223 0.023 -2.255 4.351 1.00 0.16 C ATOM 257 OH TYR A 223 1.395 -2.165 4.617 1.00 0.21 O ATOM 0 H TYR A 223 -4.242 -5.177 4.611 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.426 -3.099 6.601 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.575 -3.122 3.576 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.698 -1.665 4.541 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.420 -4.368 5.519 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.703 -0.641 3.480 1.00 0.18 H new ATOM 0 HE1 TYR A 223 0.038 -4.075 5.677 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.281 -0.353 3.694 1.00 0.20 H new ATOM 0 HH TYR A 223 1.832 -1.647 3.909 1.00 0.21 H new ATOM 267 N GLN A 224 -6.900 -2.596 6.631 1.00 0.15 N ATOM 268 CA GLN A 224 -8.343 -2.470 6.771 1.00 0.18 C ATOM 269 C GLN A 224 -8.823 -1.082 6.363 1.00 0.17 C ATOM 270 O GLN A 224 -8.667 -0.116 7.114 1.00 0.22 O ATOM 271 CB GLN A 224 -8.764 -2.764 8.210 1.00 0.26 C ATOM 272 CG GLN A 224 -8.484 -4.189 8.655 1.00 0.34 C ATOM 273 CD GLN A 224 -8.963 -4.445 10.065 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.505 -3.806 11.015 1.00 1.42 O ATOM 275 NE2 GLN A 224 -9.888 -5.378 10.216 1.00 0.99 N ATOM 0 H GLN A 224 -6.358 -2.074 7.320 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.805 -3.198 6.105 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.244 -2.077 8.878 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -9.830 -2.564 8.314 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -8.974 -4.885 7.974 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.413 -4.384 8.595 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.240 -5.883 9.403 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.249 -5.592 11.145 1.00 0.99 H new ATOM 284 N VAL A 225 -9.440 -0.996 5.187 1.00 0.16 N ATOM 285 CA VAL A 225 -9.993 0.255 4.694 1.00 0.18 C ATOM 286 C VAL A 225 -11.043 0.776 5.643 1.00 0.24 C ATOM 287 O VAL A 225 -12.038 0.106 5.876 1.00 0.30 O ATOM 288 CB VAL A 225 -10.691 0.102 3.322 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.962 1.466 2.701 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.902 -0.776 2.373 1.00 0.77 C ATOM 0 H VAL A 225 -9.568 -1.787 4.556 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.145 0.934 4.604 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.644 -0.396 3.499 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.453 1.336 1.737 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.607 2.045 3.362 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -10.020 1.995 2.559 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.432 -0.854 1.424 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.918 -0.338 2.205 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.787 -1.769 2.807 1.00 0.77 H new ATOM 300 N SER A 226 -10.997 2.055 5.904 1.00 0.26 N ATOM 301 CA SER A 226 -12.162 2.696 6.456 1.00 0.33 C ATOM 302 C SER A 226 -13.017 3.118 5.269 1.00 0.32 C ATOM 303 O SER A 226 -12.546 3.890 4.432 1.00 0.32 O ATOM 304 CB SER A 226 -11.768 3.893 7.316 1.00 0.42 C ATOM 305 OG SER A 226 -12.908 4.527 7.876 1.00 1.20 O ATOM 0 H SER A 226 -10.191 2.660 5.749 1.00 0.26 H new ATOM 0 HA SER A 226 -12.715 2.022 7.111 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.103 3.565 8.115 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.212 4.609 6.712 1.00 0.42 H new ATOM 0 HG SER A 226 -12.623 5.289 8.423 1.00 1.20 H new ATOM 311 N LYS A 227 -14.071 2.349 5.013 1.00 0.34 N ATOM 312 CA LYS A 227 -14.788 2.443 3.743 1.00 0.37 C ATOM 313 C LYS A 227 -15.087 3.888 3.353 1.00 0.42 C ATOM 314 O LYS A 227 -15.696 4.649 4.107 1.00 0.48 O ATOM 315 CB LYS A 227 -16.094 1.636 3.776 1.00 0.44 C ATOM 316 CG LYS A 227 -17.179 2.248 4.656 1.00 0.95 C ATOM 317 CD LYS A 227 -18.459 2.546 3.885 1.00 0.93 C ATOM 318 CE LYS A 227 -19.213 1.277 3.526 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.536 1.568 2.910 1.00 1.54 N ATOM 0 H LYS A 227 -14.447 1.658 5.662 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.127 2.018 2.988 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.476 1.540 2.760 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.878 0.628 4.131 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.404 1.567 5.476 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -16.804 3.170 5.101 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -19.101 3.193 4.483 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.215 3.093 2.974 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.614 0.683 2.835 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.356 0.674 4.423 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -21.016 0.674 2.681 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -21.118 2.112 3.578 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.400 2.121 2.040 1.00 1.54 H new ATOM 333 N GLY A 228 -14.643 4.257 2.165 1.00 0.46 N ATOM 334 CA GLY A 228 -14.914 5.588 1.653 1.00 0.57 C ATOM 335 C GLY A 228 -14.042 6.656 2.277 1.00 0.57 C ATOM 336 O GLY A 228 -14.113 7.822 1.895 1.00 0.70 O ATOM 0 H GLY A 228 -14.099 3.661 1.542 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.766 5.592 0.573 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.961 5.833 1.832 1.00 0.57 H new ATOM 340 N HIS A 229 -13.186 6.258 3.202 1.00 0.47 N ATOM 341 CA HIS A 229 -12.254 7.189 3.826 1.00 0.53 C ATOM 342 C HIS A 229 -10.969 7.226 3.017 1.00 0.54 C ATOM 343 O HIS A 229 -10.095 8.062 3.259 1.00 1.02 O ATOM 344 CB HIS A 229 -11.965 6.775 5.275 1.00 0.55 C ATOM 345 CG HIS A 229 -11.063 7.719 6.018 1.00 1.32 C ATOM 346 ND1 HIS A 229 -11.383 9.039 6.256 1.00 1.94 N ATOM 347 CD2 HIS A 229 -9.839 7.527 6.565 1.00 2.31 C ATOM 348 CE1 HIS A 229 -10.394 9.618 6.913 1.00 2.66 C ATOM 349 NE2 HIS A 229 -9.445 8.722 7.113 1.00 2.89 N ATOM 0 H HIS A 229 -13.115 5.298 3.539 1.00 0.47 H new ATOM 0 HA HIS A 229 -12.699 8.184 3.844 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.910 6.694 5.813 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.513 5.783 5.274 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -9.277 6.605 6.569 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -10.366 10.649 7.232 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -8.563 8.891 7.596 1.00 2.89 H new ATOM 358 N LYS A 230 -10.857 6.262 2.100 1.00 0.30 N ATOM 359 CA LYS A 230 -9.659 6.049 1.288 1.00 0.28 C ATOM 360 C LYS A 230 -8.565 5.453 2.159 1.00 0.24 C ATOM 361 O LYS A 230 -8.116 6.082 3.118 1.00 0.28 O ATOM 362 CB LYS A 230 -9.158 7.352 0.646 1.00 0.36 C ATOM 363 CG LYS A 230 -10.249 8.186 -0.008 1.00 1.00 C ATOM 364 CD LYS A 230 -9.715 9.530 -0.487 1.00 1.23 C ATOM 365 CE LYS A 230 -8.945 10.262 0.604 1.00 1.65 C ATOM 366 NZ LYS A 230 -9.763 10.480 1.827 1.00 2.24 N ATOM 0 H LYS A 230 -11.606 5.600 1.899 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.917 5.365 0.480 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.665 7.954 1.410 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.405 7.108 -0.103 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -10.670 7.639 -0.852 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -11.059 8.348 0.703 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -9.064 9.375 -1.348 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -10.546 10.151 -0.823 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -8.055 9.689 0.863 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -8.605 11.224 0.222 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -9.276 11.150 2.456 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -10.690 10.867 1.560 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -9.896 9.575 2.322 1.00 2.24 H new ATOM 380 N ILE A 231 -8.231 4.191 1.926 1.00 0.20 N ATOM 381 CA ILE A 231 -7.302 3.524 2.830 1.00 0.17 C ATOM 382 C ILE A 231 -5.847 3.774 2.441 1.00 0.16 C ATOM 383 O ILE A 231 -5.472 3.727 1.270 1.00 0.17 O ATOM 384 CB ILE A 231 -7.552 2.003 2.939 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.509 1.378 3.877 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.484 1.346 1.573 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.628 -0.114 4.034 1.00 0.19 C ATOM 0 H ILE A 231 -8.574 3.625 1.150 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.489 3.966 3.809 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.550 1.840 3.345 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.513 1.613 3.501 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.597 1.843 4.859 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.663 0.276 1.675 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.243 1.781 0.922 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.497 1.509 1.139 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.853 -0.471 4.713 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.609 -0.360 4.441 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.508 -0.593 3.062 1.00 0.19 H new ATOM 399 N ARG A 232 -5.060 4.116 3.447 1.00 0.17 N ATOM 400 CA ARG A 232 -3.654 4.443 3.286 1.00 0.17 C ATOM 401 C ARG A 232 -2.785 3.227 3.577 1.00 0.15 C ATOM 402 O ARG A 232 -3.002 2.531 4.567 1.00 0.19 O ATOM 403 CB ARG A 232 -3.309 5.577 4.250 1.00 0.22 C ATOM 404 CG ARG A 232 -4.212 6.790 4.096 1.00 0.34 C ATOM 405 CD ARG A 232 -4.285 7.610 5.379 1.00 0.77 C ATOM 406 NE ARG A 232 -2.979 8.129 5.801 1.00 1.44 N ATOM 407 CZ ARG A 232 -2.271 9.034 5.124 1.00 2.13 C ATOM 408 NH1 ARG A 232 -2.754 9.568 4.011 1.00 2.48 N ATOM 409 NH2 ARG A 232 -1.079 9.413 5.569 1.00 3.14 N ATOM 0 H ARG A 232 -5.385 4.175 4.412 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.465 4.753 2.258 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.378 5.209 5.274 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.274 5.880 4.089 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.842 7.417 3.285 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.214 6.464 3.816 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -4.971 8.444 5.232 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -4.699 6.992 6.176 1.00 0.77 H new ATOM 0 HE ARG A 232 -2.586 7.773 6.672 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -3.672 9.287 3.667 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -2.207 10.260 3.498 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -0.704 9.012 6.429 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -0.538 10.105 5.051 1.00 3.14 H new ATOM 423 N LEU A 233 -1.785 2.971 2.734 1.00 0.13 N ATOM 424 CA LEU A 233 -0.910 1.855 2.961 1.00 0.14 C ATOM 425 C LEU A 233 0.346 2.369 3.627 1.00 0.13 C ATOM 426 O LEU A 233 1.206 2.951 2.963 1.00 0.13 O ATOM 427 CB LEU A 233 -0.603 1.147 1.632 1.00 0.15 C ATOM 428 CG LEU A 233 -1.680 0.154 1.139 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.042 0.819 0.998 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.274 -0.477 -0.182 1.00 0.23 C ATOM 0 H LEU A 233 -1.574 3.522 1.902 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.382 1.120 3.613 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.455 1.905 0.863 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.340 0.610 1.737 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.761 -0.627 1.895 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.770 0.087 0.649 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.357 1.212 1.965 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.976 1.635 0.279 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.049 -1.171 -0.507 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.147 0.302 -0.934 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.335 -1.015 -0.055 1.00 0.23 H new ATOM 442 N THR A 234 0.343 2.341 4.951 1.00 0.14 N ATOM 443 CA THR A 234 1.412 2.943 5.722 1.00 0.16 C ATOM 444 C THR A 234 2.535 1.951 5.965 1.00 0.16 C ATOM 445 O THR A 234 2.308 0.831 6.429 1.00 0.22 O ATOM 446 CB THR A 234 0.909 3.473 7.075 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.256 4.289 6.879 1.00 0.33 O ATOM 448 CG2 THR A 234 1.996 4.284 7.767 1.00 0.24 C ATOM 0 H THR A 234 -0.390 1.907 5.511 1.00 0.14 H new ATOM 0 HA THR A 234 1.788 3.781 5.135 1.00 0.16 H new ATOM 0 HB THR A 234 0.651 2.623 7.707 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.572 4.622 7.745 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.623 4.651 8.723 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.869 3.653 7.936 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.276 5.129 7.138 1.00 0.24 H new ATOM 456 N VAL A 235 3.740 2.358 5.626 1.00 0.14 N ATOM 457 CA VAL A 235 4.905 1.508 5.763 1.00 0.14 C ATOM 458 C VAL A 235 6.077 2.311 6.298 1.00 0.14 C ATOM 459 O VAL A 235 6.258 3.463 5.927 1.00 0.16 O ATOM 460 CB VAL A 235 5.300 0.895 4.405 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.198 0.005 3.878 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.586 1.993 3.409 1.00 0.14 C ATOM 0 H VAL A 235 3.940 3.284 5.249 1.00 0.14 H new ATOM 0 HA VAL A 235 4.655 0.707 6.458 1.00 0.14 H new ATOM 0 HB VAL A 235 6.196 0.291 4.548 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.498 -0.417 2.919 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.012 -0.802 4.587 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.288 0.591 3.748 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.864 1.552 2.452 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.696 2.608 3.280 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.405 2.612 3.775 1.00 0.14 H new ATOM 472 N GLU A 236 6.958 1.665 7.024 1.00 0.13 N ATOM 473 CA GLU A 236 8.199 2.300 7.387 1.00 0.13 C ATOM 474 C GLU A 236 9.209 1.924 6.328 1.00 0.13 C ATOM 475 O GLU A 236 9.486 0.750 6.140 1.00 0.17 O ATOM 476 CB GLU A 236 8.670 1.829 8.763 1.00 0.18 C ATOM 477 CG GLU A 236 9.754 2.704 9.372 1.00 0.29 C ATOM 478 CD GLU A 236 10.198 2.221 10.737 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.743 1.141 11.166 1.00 1.18 O ATOM 480 OE2 GLU A 236 10.997 2.919 11.391 1.00 1.05 O ATOM 0 H GLU A 236 6.840 0.713 7.370 1.00 0.13 H new ATOM 0 HA GLU A 236 8.074 3.381 7.444 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.816 1.801 9.439 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.044 0.809 8.679 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.614 2.729 8.703 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.386 3.726 9.455 1.00 0.29 H new ATOM 487 N LEU A 237 9.590 2.876 5.502 1.00 0.13 N ATOM 488 CA LEU A 237 10.449 2.575 4.371 1.00 0.15 C ATOM 489 C LEU A 237 11.870 2.317 4.822 1.00 0.17 C ATOM 490 O LEU A 237 12.340 2.922 5.775 1.00 0.19 O ATOM 491 CB LEU A 237 10.445 3.710 3.350 1.00 0.17 C ATOM 492 CG LEU A 237 9.508 3.518 2.161 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.636 4.685 1.195 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.811 2.210 1.451 1.00 0.55 C ATOM 0 H LEU A 237 9.323 3.857 5.589 1.00 0.13 H new ATOM 0 HA LEU A 237 10.052 1.676 3.900 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.172 4.634 3.860 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.460 3.841 2.974 1.00 0.17 H new ATOM 0 HG LEU A 237 8.483 3.481 2.530 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.962 4.535 0.352 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.376 5.611 1.707 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.662 4.747 0.833 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.133 2.089 0.606 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.840 2.221 1.092 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.677 1.380 2.145 1.00 0.55 H new ATOM 506 N ALA A 238 12.572 1.504 4.056 1.00 0.19 N ATOM 507 CA ALA A 238 13.998 1.310 4.240 1.00 0.21 C ATOM 508 C ALA A 238 14.728 2.353 3.411 1.00 0.23 C ATOM 509 O ALA A 238 15.741 2.911 3.823 1.00 0.28 O ATOM 510 CB ALA A 238 14.402 -0.092 3.819 1.00 0.25 C ATOM 0 H ALA A 238 12.172 0.961 3.291 1.00 0.19 H new ATOM 0 HA ALA A 238 14.260 1.424 5.292 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.475 -0.220 3.964 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.864 -0.823 4.423 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.157 -0.241 2.767 1.00 0.25 H new ATOM 516 N ASP A 239 14.130 2.665 2.266 1.00 0.22 N ATOM 517 CA ASP A 239 14.639 3.699 1.369 1.00 0.25 C ATOM 518 C ASP A 239 14.456 5.083 1.962 1.00 0.25 C ATOM 519 O ASP A 239 15.325 5.944 1.827 1.00 0.34 O ATOM 520 CB ASP A 239 13.927 3.642 0.023 1.00 0.31 C ATOM 521 CG ASP A 239 14.631 2.724 -0.958 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.691 1.505 -0.697 1.00 1.19 O ATOM 523 OD2 ASP A 239 15.096 3.207 -2.007 1.00 1.28 O ATOM 0 H ASP A 239 13.280 2.210 1.933 1.00 0.22 H new ATOM 0 HA ASP A 239 15.703 3.509 1.231 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.903 3.298 0.170 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.869 4.646 -0.398 1.00 0.31 H new ATOM 528 N HIS A 240 13.294 5.283 2.587 1.00 0.27 N ATOM 529 CA HIS A 240 12.919 6.553 3.220 1.00 0.39 C ATOM 530 C HIS A 240 12.475 7.584 2.186 1.00 0.47 C ATOM 531 O HIS A 240 11.399 8.170 2.311 1.00 0.70 O ATOM 532 CB HIS A 240 14.065 7.135 4.067 1.00 0.46 C ATOM 533 CG HIS A 240 14.555 6.225 5.155 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.211 4.956 5.469 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.522 6.592 6.059 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.970 4.580 6.550 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.752 5.589 6.886 1.00 0.48 N flip ATOM 0 H HIS A 240 12.578 4.561 2.670 1.00 0.27 H new ATOM 0 HA HIS A 240 12.081 6.330 3.880 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.900 7.378 3.409 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.730 8.070 4.516 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.516 4.383 4.991 1.00 0.56 H new ATOM 0 HD2 HIS A 240 16.017 7.551 6.089 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.933 3.620 7.043 1.00 0.57 H new ATOM 546 N ASP A 241 13.280 7.776 1.150 1.00 0.41 N ATOM 547 CA ASP A 241 12.986 8.762 0.123 1.00 0.51 C ATOM 548 C ASP A 241 13.019 8.117 -1.251 1.00 0.44 C ATOM 549 O ASP A 241 13.863 8.424 -2.088 1.00 0.78 O ATOM 550 CB ASP A 241 13.975 9.930 0.192 1.00 0.80 C ATOM 551 CG ASP A 241 13.449 11.187 -0.480 1.00 1.53 C ATOM 552 OD1 ASP A 241 13.276 11.171 -1.716 1.00 2.22 O ATOM 553 OD2 ASP A 241 13.206 12.198 0.212 1.00 2.08 O ATOM 0 H ASP A 241 14.146 7.258 1.000 1.00 0.41 H new ATOM 0 HA ASP A 241 11.985 9.154 0.300 1.00 0.51 H new ATOM 0 HB2 ASP A 241 14.200 10.149 1.236 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.912 9.635 -0.281 1.00 0.80 H new ATOM 558 N ALA A 242 12.113 7.191 -1.453 1.00 0.33 N ATOM 559 CA ALA A 242 11.985 6.512 -2.729 1.00 0.30 C ATOM 560 C ALA A 242 10.528 6.425 -3.123 1.00 0.24 C ATOM 561 O ALA A 242 9.662 6.233 -2.265 1.00 0.28 O ATOM 562 CB ALA A 242 12.579 5.120 -2.664 1.00 0.38 C ATOM 0 H ALA A 242 11.445 6.885 -0.745 1.00 0.33 H new ATOM 0 HA ALA A 242 12.531 7.087 -3.477 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.470 4.632 -3.633 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.636 5.187 -2.408 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.058 4.537 -1.904 1.00 0.38 H new ATOM 568 N GLU A 243 10.263 6.513 -4.415 1.00 0.26 N ATOM 569 CA GLU A 243 8.906 6.363 -4.903 1.00 0.30 C ATOM 570 C GLU A 243 8.468 4.922 -4.727 1.00 0.25 C ATOM 571 O GLU A 243 9.098 4.000 -5.249 1.00 0.25 O ATOM 572 CB GLU A 243 8.799 6.770 -6.374 1.00 0.39 C ATOM 573 CG GLU A 243 9.043 8.249 -6.610 1.00 0.67 C ATOM 574 CD GLU A 243 8.766 8.675 -8.041 1.00 1.10 C ATOM 575 OE1 GLU A 243 8.579 7.784 -8.900 1.00 1.64 O ATOM 576 OE2 GLU A 243 8.712 9.894 -8.313 1.00 1.56 O ATOM 0 H GLU A 243 10.962 6.686 -5.137 1.00 0.26 H new ATOM 0 HA GLU A 243 8.253 7.020 -4.328 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.518 6.193 -6.956 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.807 6.509 -6.744 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.412 8.828 -5.936 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.077 8.485 -6.360 1.00 0.67 H new ATOM 583 N VAL A 244 7.419 4.725 -3.952 1.00 0.24 N ATOM 584 CA VAL A 244 6.944 3.386 -3.676 1.00 0.21 C ATOM 585 C VAL A 244 5.869 2.991 -4.661 1.00 0.20 C ATOM 586 O VAL A 244 4.918 3.736 -4.909 1.00 0.23 O ATOM 587 CB VAL A 244 6.410 3.226 -2.237 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.559 3.254 -1.239 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.373 4.303 -1.919 1.00 0.27 C ATOM 0 H VAL A 244 6.884 5.470 -3.506 1.00 0.24 H new ATOM 0 HA VAL A 244 7.805 2.725 -3.782 1.00 0.21 H new ATOM 0 HB VAL A 244 5.915 2.258 -2.156 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.166 3.140 -0.229 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.248 2.438 -1.455 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.087 4.205 -1.318 1.00 0.24 H new ATOM 0 HG21 VAL A 244 5.011 4.170 -0.900 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.830 5.288 -2.016 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.538 4.220 -2.614 1.00 0.27 H new ATOM 599 N LYS A 245 6.028 1.810 -5.203 1.00 0.18 N ATOM 600 CA LYS A 245 5.073 1.249 -6.123 1.00 0.19 C ATOM 601 C LYS A 245 4.241 0.232 -5.360 1.00 0.15 C ATOM 602 O LYS A 245 4.690 -0.314 -4.364 1.00 0.16 O ATOM 603 CB LYS A 245 5.828 0.608 -7.288 1.00 0.30 C ATOM 604 CG LYS A 245 4.958 0.137 -8.437 1.00 0.89 C ATOM 605 CD LYS A 245 5.816 -0.452 -9.542 1.00 1.51 C ATOM 606 CE LYS A 245 5.001 -0.786 -10.774 1.00 2.00 C ATOM 607 NZ LYS A 245 3.978 -1.824 -10.502 1.00 2.79 N ATOM 0 H LYS A 245 6.829 1.207 -5.017 1.00 0.18 H new ATOM 0 HA LYS A 245 4.410 2.009 -6.536 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.551 1.328 -7.672 1.00 0.30 H new ATOM 0 HB3 LYS A 245 6.395 -0.243 -6.909 1.00 0.30 H new ATOM 0 HG2 LYS A 245 4.248 -0.610 -8.082 1.00 0.89 H new ATOM 0 HG3 LYS A 245 4.375 0.972 -8.826 1.00 0.89 H new ATOM 0 HD2 LYS A 245 6.602 0.255 -9.807 1.00 1.51 H new ATOM 0 HD3 LYS A 245 6.309 -1.353 -9.177 1.00 1.51 H new ATOM 0 HE2 LYS A 245 4.512 0.117 -11.140 1.00 2.00 H new ATOM 0 HE3 LYS A 245 5.666 -1.132 -11.565 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 3.357 -1.925 -11.330 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 4.447 -2.732 -10.309 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 3.411 -1.545 -9.676 1.00 2.79 H new ATOM 621 N TRP A 246 2.991 0.082 -5.681 1.00 0.14 N ATOM 622 CA TRP A 246 2.179 -0.804 -4.882 1.00 0.13 C ATOM 623 C TRP A 246 1.492 -1.794 -5.788 1.00 0.14 C ATOM 624 O TRP A 246 1.743 -1.802 -6.986 1.00 0.14 O ATOM 625 CB TRP A 246 1.215 -0.025 -3.967 1.00 0.14 C ATOM 626 CG TRP A 246 1.940 0.925 -3.041 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.526 2.106 -3.392 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.191 0.773 -1.627 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.101 2.693 -2.297 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.924 1.900 -1.212 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.879 -0.187 -0.669 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.339 2.090 0.107 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.298 0.015 0.641 1.00 0.15 C ATOM 634 CH2 TRP A 246 3.020 1.140 1.007 1.00 0.15 C ATOM 0 H TRP A 246 2.518 0.540 -6.460 1.00 0.14 H new ATOM 0 HA TRP A 246 2.812 -1.369 -4.198 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.511 0.537 -4.580 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.631 -0.730 -3.375 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.535 2.518 -4.390 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.588 3.589 -2.298 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.322 -1.072 -0.938 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.897 2.969 0.396 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.055 -0.723 1.392 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.333 1.257 2.034 1.00 0.15 H new ATOM 645 N LEU A 247 0.944 -2.818 -5.216 1.00 0.15 N ATOM 646 CA LEU A 247 0.496 -3.940 -6.003 1.00 0.14 C ATOM 647 C LEU A 247 -0.897 -4.353 -5.545 1.00 0.15 C ATOM 648 O LEU A 247 -1.101 -4.605 -4.383 1.00 0.16 O ATOM 649 CB LEU A 247 1.492 -5.092 -5.800 1.00 0.15 C ATOM 650 CG LEU A 247 2.336 -5.550 -6.998 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.594 -6.604 -7.796 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.735 -4.385 -7.884 1.00 0.17 C ATOM 0 H LEU A 247 0.793 -2.908 -4.211 1.00 0.15 H new ATOM 0 HA LEU A 247 0.448 -3.678 -7.060 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.177 -4.801 -5.004 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.932 -5.955 -5.440 1.00 0.15 H new ATOM 0 HG LEU A 247 3.254 -5.989 -6.607 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.206 -6.918 -8.642 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.387 -7.464 -7.159 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.655 -6.189 -8.162 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.331 -4.751 -8.720 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.839 -3.894 -8.264 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.322 -3.672 -7.305 1.00 0.17 H new ATOM 664 N LYS A 248 -1.802 -4.582 -6.464 1.00 0.19 N ATOM 665 CA LYS A 248 -3.049 -5.241 -6.113 1.00 0.25 C ATOM 666 C LYS A 248 -2.820 -6.716 -6.373 1.00 0.25 C ATOM 667 O LYS A 248 -1.895 -7.032 -7.117 1.00 0.21 O ATOM 668 CB LYS A 248 -4.224 -4.714 -6.952 1.00 0.34 C ATOM 669 CG LYS A 248 -5.554 -5.391 -6.641 1.00 0.77 C ATOM 670 CD LYS A 248 -6.706 -4.790 -7.440 1.00 0.95 C ATOM 671 CE LYS A 248 -6.969 -3.344 -7.049 1.00 1.57 C ATOM 672 NZ LYS A 248 -8.269 -2.844 -7.575 1.00 2.06 N ATOM 0 H LYS A 248 -1.708 -4.329 -7.448 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.314 -5.049 -5.073 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.325 -3.642 -6.785 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.995 -4.852 -8.009 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.478 -6.456 -6.861 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.766 -5.300 -5.576 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.477 -4.843 -8.504 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -7.608 -5.380 -7.278 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -6.961 -3.257 -5.963 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -6.162 -2.716 -7.425 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -8.095 -2.096 -8.277 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.786 -3.627 -8.024 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -8.835 -2.459 -6.792 1.00 2.06 H new ATOM 686 N ASN A 249 -3.447 -7.607 -5.608 1.00 0.34 N ATOM 687 CA ASN A 249 -3.098 -9.026 -5.703 1.00 0.40 C ATOM 688 C ASN A 249 -3.001 -9.460 -7.166 1.00 0.35 C ATOM 689 O ASN A 249 -3.961 -9.344 -7.926 1.00 0.35 O ATOM 690 CB ASN A 249 -4.068 -9.926 -4.905 1.00 0.61 C ATOM 691 CG ASN A 249 -5.493 -9.986 -5.443 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.435 -9.485 -4.666 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -5.754 -10.512 -6.523 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.179 -7.383 -4.933 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.117 -9.152 -5.244 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.663 -10.938 -4.882 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.101 -9.572 -3.874 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -5.003 -10.890 -7.101 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.721 -10.570 -6.841 1.00 1.19 H new ATOM 700 N GLY A 250 -1.766 -9.695 -7.602 1.00 0.35 N ATOM 701 CA GLY A 250 -1.497 -9.963 -9.004 1.00 0.35 C ATOM 702 C GLY A 250 -1.348 -8.709 -9.863 1.00 0.33 C ATOM 703 O GLY A 250 -0.479 -8.659 -10.736 1.00 0.39 O ATOM 0 H GLY A 250 -0.940 -9.704 -7.003 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.584 -10.553 -9.081 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.306 -10.572 -9.408 1.00 0.35 H new ATOM 707 N GLN A 251 -2.237 -7.735 -9.688 1.00 0.30 N ATOM 708 CA GLN A 251 -2.231 -6.535 -10.531 1.00 0.36 C ATOM 709 C GLN A 251 -1.215 -5.511 -10.033 1.00 0.25 C ATOM 710 O GLN A 251 -1.180 -5.185 -8.859 1.00 0.28 O ATOM 711 CB GLN A 251 -3.617 -5.890 -10.566 1.00 0.52 C ATOM 712 CG GLN A 251 -4.734 -6.829 -11.003 1.00 1.28 C ATOM 713 CD GLN A 251 -4.664 -7.221 -12.471 1.00 2.00 C ATOM 714 OE1 GLN A 251 -3.777 -6.593 -13.231 1.00 2.77 O flip ATOM 715 NE2 GLN A 251 -5.431 -8.070 -12.928 1.00 2.59 N flip ATOM 0 H GLN A 251 -2.967 -7.749 -8.976 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.951 -6.849 -11.536 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.850 -5.504 -9.574 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.591 -5.036 -11.243 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -4.697 -7.732 -10.393 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -5.695 -6.352 -10.809 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -6.101 -8.534 -12.315 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -5.396 -8.309 -13.919 1.00 2.59 H new ATOM 724 N GLU A 252 -0.411 -4.971 -10.927 1.00 0.26 N ATOM 725 CA GLU A 252 0.578 -3.982 -10.527 1.00 0.25 C ATOM 726 C GLU A 252 -0.031 -2.594 -10.346 1.00 0.27 C ATOM 727 O GLU A 252 -0.867 -2.156 -11.140 1.00 0.32 O ATOM 728 CB GLU A 252 1.727 -3.944 -11.513 1.00 0.32 C ATOM 729 CG GLU A 252 2.687 -5.099 -11.328 1.00 0.60 C ATOM 730 CD GLU A 252 4.088 -4.729 -11.750 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.357 -4.684 -12.967 1.00 1.49 O ATOM 732 OE2 GLU A 252 4.906 -4.401 -10.865 1.00 1.60 O ATOM 0 H GLU A 252 -0.419 -5.194 -11.922 1.00 0.26 H new ATOM 0 HA GLU A 252 0.964 -4.289 -9.555 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.331 -3.964 -12.528 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.268 -3.004 -11.400 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.690 -5.406 -10.282 1.00 0.60 H new ATOM 0 HG3 GLU A 252 2.345 -5.954 -11.910 1.00 0.60 H new ATOM 739 N ILE A 253 0.317 -1.964 -9.228 1.00 0.23 N ATOM 740 CA ILE A 253 -0.265 -0.692 -8.836 1.00 0.27 C ATOM 741 C ILE A 253 0.767 0.450 -8.844 1.00 0.28 C ATOM 742 O ILE A 253 1.780 0.417 -8.132 1.00 0.28 O ATOM 743 CB ILE A 253 -0.924 -0.860 -7.448 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.349 -1.379 -7.592 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.888 0.403 -6.613 1.00 0.28 C ATOM 746 CD1 ILE A 253 -3.007 -1.671 -6.265 1.00 0.33 C ATOM 0 H ILE A 253 1.010 -2.323 -8.571 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.022 -0.408 -9.567 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.330 -1.597 -6.908 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.945 -0.644 -8.133 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.340 -2.287 -8.195 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.367 0.217 -5.651 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.147 0.703 -6.451 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.419 1.199 -7.135 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -4.020 -2.037 -6.434 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.431 -2.428 -5.732 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -3.046 -0.759 -5.670 1.00 0.33 H new ATOM 758 N GLN A 254 0.525 1.448 -9.678 1.00 0.36 N ATOM 759 CA GLN A 254 1.431 2.584 -9.781 1.00 0.43 C ATOM 760 C GLN A 254 1.013 3.712 -8.838 1.00 0.61 C ATOM 761 O GLN A 254 0.965 3.524 -7.620 1.00 1.42 O ATOM 762 CB GLN A 254 1.517 3.084 -11.225 1.00 0.70 C ATOM 763 CG GLN A 254 2.138 2.072 -12.172 1.00 1.00 C ATOM 764 CD GLN A 254 2.539 2.681 -13.501 1.00 1.75 C ATOM 765 OE1 GLN A 254 1.708 3.224 -14.228 1.00 2.63 O ATOM 766 NE2 GLN A 254 3.818 2.593 -13.827 1.00 2.21 N ATOM 0 H GLN A 254 -0.288 1.496 -10.292 1.00 0.36 H new ATOM 0 HA GLN A 254 2.423 2.247 -9.479 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.516 3.334 -11.576 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.103 4.003 -11.250 1.00 0.70 H new ATOM 0 HG2 GLN A 254 3.016 1.630 -11.700 1.00 1.00 H new ATOM 0 HG3 GLN A 254 1.429 1.263 -12.347 1.00 1.00 H new ATOM 0 HE21 GLN A 254 4.475 2.134 -13.196 1.00 2.21 H new ATOM 0 HE22 GLN A 254 4.147 2.984 -14.710 1.00 2.21 H new ATOM 775 N MET A 255 0.807 4.900 -9.388 1.00 0.59 N ATOM 776 CA MET A 255 0.490 6.073 -8.584 1.00 0.61 C ATOM 777 C MET A 255 -0.475 6.984 -9.331 1.00 0.65 C ATOM 778 O MET A 255 -0.450 7.049 -10.566 1.00 0.95 O ATOM 779 CB MET A 255 1.766 6.845 -8.212 1.00 0.95 C ATOM 780 CG MET A 255 2.471 7.510 -9.389 1.00 1.58 C ATOM 781 SD MET A 255 3.216 6.328 -10.534 1.00 2.30 S ATOM 782 CE MET A 255 3.910 7.436 -11.758 1.00 2.61 C ATOM 0 H MET A 255 0.854 5.078 -10.391 1.00 0.59 H new ATOM 0 HA MET A 255 0.014 5.733 -7.664 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.511 7.610 -7.479 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.462 6.159 -7.729 1.00 0.95 H new ATOM 0 HG2 MET A 255 1.755 8.128 -9.930 1.00 1.58 H new ATOM 0 HG3 MET A 255 3.246 8.177 -9.010 1.00 1.58 H new ATOM 0 HE1 MET A 255 4.406 6.855 -12.535 1.00 2.61 H new ATOM 0 HE2 MET A 255 3.113 8.031 -12.203 1.00 2.61 H new ATOM 0 HE3 MET A 255 4.634 8.097 -11.281 1.00 2.61 H new ATOM 792 N SER A 256 -1.372 7.623 -8.590 1.00 0.57 N ATOM 793 CA SER A 256 -2.392 8.469 -9.185 1.00 0.69 C ATOM 794 C SER A 256 -3.006 9.398 -8.137 1.00 1.00 C ATOM 795 O SER A 256 -2.688 9.308 -6.947 1.00 1.47 O ATOM 796 CB SER A 256 -3.480 7.601 -9.828 1.00 0.76 C ATOM 797 OG SER A 256 -4.363 8.374 -10.620 1.00 1.64 O ATOM 0 H SER A 256 -1.411 7.569 -7.572 1.00 0.57 H new ATOM 0 HA SER A 256 -1.926 9.085 -9.954 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.015 6.832 -10.445 1.00 0.76 H new ATOM 0 HB3 SER A 256 -4.044 7.087 -9.049 1.00 0.76 H new ATOM 0 HG SER A 256 -5.043 7.790 -11.016 1.00 1.64 H new ATOM 803 N GLY A 257 -3.812 10.345 -8.602 1.00 1.01 N ATOM 804 CA GLY A 257 -4.395 11.337 -7.724 1.00 1.41 C ATOM 805 C GLY A 257 -5.618 10.834 -6.982 1.00 1.28 C ATOM 806 O GLY A 257 -5.873 11.256 -5.856 1.00 1.69 O ATOM 0 H GLY A 257 -4.073 10.442 -9.583 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.646 11.658 -7.000 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.669 12.215 -8.309 1.00 1.41 H new ATOM 810 N SER A 258 -6.431 10.019 -7.642 1.00 1.07 N ATOM 811 CA SER A 258 -7.678 9.548 -7.045 1.00 0.96 C ATOM 812 C SER A 258 -7.623 8.051 -6.746 1.00 0.74 C ATOM 813 O SER A 258 -8.658 7.400 -6.595 1.00 1.14 O ATOM 814 CB SER A 258 -8.853 9.863 -7.971 1.00 1.08 C ATOM 815 OG SER A 258 -8.941 11.258 -8.217 1.00 1.77 O ATOM 0 H SER A 258 -6.253 9.671 -8.584 1.00 1.07 H new ATOM 0 HA SER A 258 -7.818 10.070 -6.098 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.732 9.330 -8.914 1.00 1.08 H new ATOM 0 HB3 SER A 258 -9.781 9.509 -7.522 1.00 1.08 H new ATOM 0 HG SER A 258 -9.698 11.438 -8.813 1.00 1.77 H new ATOM 821 N LYS A 259 -6.405 7.543 -6.588 1.00 0.51 N ATOM 822 CA LYS A 259 -6.151 6.147 -6.231 1.00 0.37 C ATOM 823 C LYS A 259 -4.653 5.912 -6.289 1.00 0.33 C ATOM 824 O LYS A 259 -3.972 6.600 -7.041 1.00 0.45 O ATOM 825 CB LYS A 259 -6.873 5.166 -7.170 1.00 0.48 C ATOM 826 CG LYS A 259 -6.312 5.123 -8.585 1.00 1.11 C ATOM 827 CD LYS A 259 -6.993 4.051 -9.423 1.00 1.59 C ATOM 828 CE LYS A 259 -8.418 4.437 -9.783 1.00 2.02 C ATOM 829 NZ LYS A 259 -8.456 5.576 -10.738 1.00 2.41 N ATOM 0 H LYS A 259 -5.555 8.094 -6.705 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.538 5.966 -5.228 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.821 4.166 -6.741 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -7.928 5.437 -7.218 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -6.444 6.095 -9.059 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -5.240 4.930 -8.547 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -6.420 3.884 -10.335 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -6.999 3.110 -8.874 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -8.928 3.579 -10.220 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -8.962 4.704 -8.877 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -9.406 5.648 -11.154 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -8.230 6.458 -10.236 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -7.758 5.419 -11.493 1.00 2.41 H new ATOM 843 N TYR A 260 -4.130 4.988 -5.480 1.00 0.24 N ATOM 844 CA TYR A 260 -2.690 4.729 -5.457 1.00 0.27 C ATOM 845 C TYR A 260 -1.926 6.032 -5.197 1.00 0.27 C ATOM 846 O TYR A 260 -1.004 6.388 -5.929 1.00 0.29 O ATOM 847 CB TYR A 260 -2.218 4.106 -6.780 1.00 0.33 C ATOM 848 CG TYR A 260 -3.129 3.028 -7.341 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.822 2.146 -6.513 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.288 2.896 -8.716 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.647 1.175 -7.044 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.108 1.925 -9.249 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.786 1.068 -8.412 1.00 0.95 C ATOM 854 OH TYR A 260 -5.598 0.093 -8.945 1.00 1.24 O ATOM 0 H TYR A 260 -4.676 4.412 -4.839 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.487 4.022 -4.653 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -2.117 4.898 -7.522 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.226 3.681 -6.631 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.712 2.224 -5.441 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.760 3.566 -9.378 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.182 0.502 -6.391 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.218 1.837 -10.320 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.586 0.156 -9.923 1.00 1.24 H new ATOM 864 N ILE A 261 -2.389 6.780 -4.209 1.00 0.26 N ATOM 865 CA ILE A 261 -1.822 8.082 -3.892 1.00 0.27 C ATOM 866 C ILE A 261 -0.597 7.924 -2.996 1.00 0.28 C ATOM 867 O ILE A 261 -0.707 7.454 -1.869 1.00 0.35 O ATOM 868 CB ILE A 261 -2.867 8.949 -3.162 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.136 9.093 -4.005 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.295 10.311 -2.818 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.303 9.674 -3.236 1.00 0.39 C ATOM 0 H ILE A 261 -3.164 6.504 -3.606 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.529 8.564 -4.825 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.131 8.447 -2.231 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.923 9.729 -4.864 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.418 8.115 -4.395 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.051 10.904 -2.304 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.427 10.188 -2.170 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.995 10.821 -3.733 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.170 9.749 -3.892 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.541 9.026 -2.392 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -5.039 10.666 -2.869 1.00 0.39 H new ATOM 883 N PHE A 262 0.566 8.318 -3.480 1.00 0.30 N ATOM 884 CA PHE A 262 1.778 8.192 -2.684 1.00 0.32 C ATOM 885 C PHE A 262 1.913 9.351 -1.696 1.00 0.30 C ATOM 886 O PHE A 262 1.605 10.497 -2.023 1.00 0.37 O ATOM 887 CB PHE A 262 3.022 8.076 -3.581 1.00 0.46 C ATOM 888 CG PHE A 262 3.251 9.229 -4.522 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.753 10.438 -4.065 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.970 9.097 -5.872 1.00 0.84 C ATOM 891 CE1 PHE A 262 3.968 11.488 -4.932 1.00 1.13 C ATOM 892 CE2 PHE A 262 3.181 10.146 -6.746 1.00 1.09 C ATOM 893 CZ PHE A 262 3.681 11.343 -6.275 1.00 1.18 C ATOM 0 H PHE A 262 0.700 8.723 -4.407 1.00 0.30 H new ATOM 0 HA PHE A 262 1.701 7.272 -2.105 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.900 7.970 -2.944 1.00 0.46 H new ATOM 0 HB3 PHE A 262 2.942 7.161 -4.168 1.00 0.46 H new ATOM 0 HD1 PHE A 262 3.979 10.559 -3.016 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.581 8.162 -6.246 1.00 0.84 H new ATOM 0 HE1 PHE A 262 4.361 12.423 -4.561 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.955 10.030 -7.796 1.00 1.09 H new ATOM 0 HZ PHE A 262 3.848 12.165 -6.956 1.00 1.18 H new ATOM 903 N GLU A 263 2.340 9.037 -0.478 1.00 0.26 N ATOM 904 CA GLU A 263 2.529 10.046 0.555 1.00 0.30 C ATOM 905 C GLU A 263 3.691 9.656 1.464 1.00 0.28 C ATOM 906 O GLU A 263 3.869 8.480 1.785 1.00 0.33 O ATOM 907 CB GLU A 263 1.250 10.223 1.378 1.00 0.37 C ATOM 908 CG GLU A 263 1.402 11.204 2.532 1.00 0.56 C ATOM 909 CD GLU A 263 0.104 11.448 3.271 1.00 1.07 C ATOM 910 OE1 GLU A 263 -0.967 11.053 2.764 1.00 1.79 O ATOM 911 OE2 GLU A 263 0.143 12.046 4.362 1.00 1.73 O ATOM 0 H GLU A 263 2.562 8.087 -0.182 1.00 0.26 H new ATOM 0 HA GLU A 263 2.761 10.995 0.072 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.450 10.567 0.722 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.944 9.254 1.773 1.00 0.37 H new ATOM 0 HG2 GLU A 263 2.146 10.823 3.231 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.780 12.152 2.149 1.00 0.56 H new ATOM 918 N SER A 264 4.539 10.624 1.776 1.00 0.34 N ATOM 919 CA SER A 264 5.745 10.373 2.554 1.00 0.36 C ATOM 920 C SER A 264 5.636 10.992 3.947 1.00 0.34 C ATOM 921 O SER A 264 5.352 12.184 4.081 1.00 0.39 O ATOM 922 CB SER A 264 6.946 10.971 1.820 1.00 0.46 C ATOM 923 OG SER A 264 6.715 11.005 0.419 1.00 1.41 O ATOM 0 H SER A 264 4.414 11.598 1.500 1.00 0.34 H new ATOM 0 HA SER A 264 5.871 9.296 2.668 1.00 0.36 H new ATOM 0 HB2 SER A 264 7.136 11.980 2.186 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.838 10.381 2.032 1.00 0.46 H new ATOM 0 HG SER A 264 7.494 11.392 -0.032 1.00 1.41 H new ATOM 929 N ILE A 265 5.881 10.195 4.978 1.00 0.31 N ATOM 930 CA ILE A 265 5.856 10.691 6.348 1.00 0.34 C ATOM 931 C ILE A 265 7.100 10.227 7.106 1.00 0.38 C ATOM 932 O ILE A 265 7.114 9.137 7.684 1.00 0.42 O ATOM 933 CB ILE A 265 4.591 10.219 7.106 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.321 10.629 6.349 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.572 10.793 8.518 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.037 10.183 7.016 1.00 1.31 C ATOM 0 H ILE A 265 6.099 9.202 4.892 1.00 0.31 H new ATOM 0 HA ILE A 265 5.840 11.780 6.296 1.00 0.34 H new ATOM 0 HB ILE A 265 4.618 9.131 7.171 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.307 11.714 6.245 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.360 10.212 5.342 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.677 10.452 9.037 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.456 10.456 9.060 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.570 11.882 8.468 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.185 10.511 6.421 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.027 9.096 7.096 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.973 10.621 8.012 1.00 1.31 H new ATOM 948 N GLY A 266 8.130 11.072 7.120 1.00 0.48 N ATOM 949 CA GLY A 266 9.357 10.764 7.845 1.00 0.65 C ATOM 950 C GLY A 266 9.877 9.369 7.559 1.00 0.86 C ATOM 951 O GLY A 266 9.851 8.515 8.449 1.00 1.93 O ATOM 0 H GLY A 266 8.137 11.971 6.639 1.00 0.48 H new ATOM 0 HA2 GLY A 266 10.123 11.493 7.580 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.176 10.867 8.915 1.00 0.65 H new ATOM 955 N ALA A 267 10.164 9.103 6.280 1.00 0.48 N ATOM 956 CA ALA A 267 10.523 7.767 5.789 1.00 0.39 C ATOM 957 C ALA A 267 9.300 6.888 5.647 1.00 0.30 C ATOM 958 O ALA A 267 9.201 6.114 4.694 1.00 0.32 O ATOM 959 CB ALA A 267 11.531 7.059 6.672 1.00 0.44 C ATOM 0 H ALA A 267 10.154 9.815 5.550 1.00 0.48 H new ATOM 0 HA ALA A 267 10.982 7.931 4.814 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.754 6.077 6.254 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.447 7.648 6.724 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.118 6.942 7.674 1.00 0.44 H new ATOM 965 N LYS A 268 8.402 6.949 6.622 1.00 0.26 N ATOM 966 CA LYS A 268 7.227 6.108 6.589 1.00 0.25 C ATOM 967 C LYS A 268 6.369 6.487 5.403 1.00 0.29 C ATOM 968 O LYS A 268 5.861 7.602 5.298 1.00 0.47 O ATOM 969 CB LYS A 268 6.442 6.189 7.894 1.00 0.28 C ATOM 970 CG LYS A 268 7.170 5.537 9.059 1.00 0.30 C ATOM 971 CD LYS A 268 6.347 5.590 10.331 1.00 0.41 C ATOM 972 CE LYS A 268 7.053 4.892 11.479 1.00 1.20 C ATOM 973 NZ LYS A 268 6.281 4.994 12.741 1.00 2.00 N ATOM 0 H LYS A 268 8.468 7.565 7.432 1.00 0.26 H new ATOM 0 HA LYS A 268 7.542 5.070 6.479 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.248 7.235 8.132 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.473 5.707 7.761 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.395 4.499 8.813 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.123 6.040 9.221 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.155 6.629 10.598 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.378 5.121 10.159 1.00 0.41 H new ATOM 0 HE2 LYS A 268 7.204 3.842 11.229 1.00 1.20 H new ATOM 0 HE3 LYS A 268 8.041 5.331 11.620 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.794 4.506 13.502 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 6.158 5.996 12.993 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 5.348 4.552 12.614 1.00 2.00 H new ATOM 987 N ARG A 269 6.353 5.598 4.441 1.00 0.16 N ATOM 988 CA ARG A 269 5.694 5.846 3.193 1.00 0.16 C ATOM 989 C ARG A 269 4.265 5.341 3.243 1.00 0.18 C ATOM 990 O ARG A 269 3.941 4.442 4.017 1.00 0.17 O ATOM 991 CB ARG A 269 6.464 5.191 2.053 1.00 0.20 C ATOM 992 CG ARG A 269 5.968 5.604 0.697 1.00 0.53 C ATOM 993 CD ARG A 269 6.251 7.067 0.398 1.00 0.79 C ATOM 994 NE ARG A 269 7.641 7.442 0.665 1.00 0.69 N ATOM 995 CZ ARG A 269 8.351 8.261 -0.117 1.00 0.97 C ATOM 996 NH1 ARG A 269 7.902 8.594 -1.321 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.530 8.720 0.283 1.00 1.17 N ATOM 0 H ARG A 269 6.798 4.683 4.506 1.00 0.16 H new ATOM 0 HA ARG A 269 5.668 6.921 3.014 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.520 5.447 2.141 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.389 4.108 2.147 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.440 4.982 -0.064 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.895 5.424 0.635 1.00 0.53 H new ATOM 0 HD2 ARG A 269 6.019 7.271 -0.647 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.589 7.691 0.999 1.00 0.79 H new ATOM 0 HE ARG A 269 8.093 7.057 1.494 1.00 0.69 H new ATOM 0 HH11 ARG A 269 7.011 8.224 -1.653 1.00 1.85 H new ATOM 0 HH12 ARG A 269 8.448 9.219 -1.914 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.901 8.448 1.193 1.00 1.17 H new ATOM 0 HH22 ARG A 269 10.065 9.345 -0.320 1.00 1.17 H new ATOM 1011 N THR A 270 3.381 6.034 2.560 1.00 0.18 N ATOM 1012 CA THR A 270 1.981 5.706 2.616 1.00 0.18 C ATOM 1013 C THR A 270 1.347 5.708 1.233 1.00 0.19 C ATOM 1014 O THR A 270 1.512 6.657 0.460 1.00 0.22 O ATOM 1015 CB THR A 270 1.232 6.697 3.521 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.805 6.680 4.837 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.241 6.348 3.597 1.00 0.24 C ATOM 0 H THR A 270 3.610 6.827 1.961 1.00 0.18 H new ATOM 0 HA THR A 270 1.902 4.700 3.029 1.00 0.18 H new ATOM 0 HB THR A 270 1.328 7.696 3.095 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.326 7.314 5.411 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.751 7.063 4.243 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.676 6.386 2.598 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.356 5.344 4.005 1.00 0.24 H new ATOM 1025 N LEU A 271 0.577 4.664 0.956 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.183 4.589 -0.280 1.00 0.17 C ATOM 1027 C LEU A 271 -1.655 4.861 0.011 1.00 0.16 C ATOM 1028 O LEU A 271 -2.372 3.977 0.456 1.00 0.17 O ATOM 1029 CB LEU A 271 -0.025 3.208 -0.917 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.494 3.057 -2.371 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.995 2.827 -2.455 1.00 0.56 C ATOM 1032 CD2 LEU A 271 -0.083 4.273 -3.181 1.00 0.49 C ATOM 0 H LEU A 271 0.464 3.859 1.572 1.00 0.17 H new ATOM 0 HA LEU A 271 0.194 5.338 -0.976 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.028 2.931 -0.870 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.572 2.489 -0.308 1.00 0.20 H new ATOM 0 HG LEU A 271 -0.010 2.176 -2.793 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.290 2.725 -3.499 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.254 1.917 -1.914 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.518 3.674 -2.012 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.421 4.155 -4.211 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.535 5.167 -2.751 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.002 4.372 -3.164 1.00 0.49 H new ATOM 1044 N THR A 272 -2.116 6.056 -0.281 1.00 0.18 N ATOM 1045 CA THR A 272 -3.513 6.383 -0.087 1.00 0.21 C ATOM 1046 C THR A 272 -4.339 5.880 -1.264 1.00 0.22 C ATOM 1047 O THR A 272 -4.225 6.377 -2.381 1.00 0.29 O ATOM 1048 CB THR A 272 -3.708 7.899 0.079 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.633 8.438 0.862 1.00 0.33 O ATOM 1050 CG2 THR A 272 -5.031 8.200 0.762 1.00 0.30 C ATOM 0 H THR A 272 -1.547 6.817 -0.653 1.00 0.18 H new ATOM 0 HA THR A 272 -3.851 5.892 0.825 1.00 0.21 H new ATOM 0 HB THR A 272 -3.714 8.358 -0.909 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.757 9.405 0.966 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.148 9.278 0.869 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.849 7.804 0.161 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.046 7.734 1.747 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.140 4.868 -1.024 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.972 4.313 -2.066 1.00 0.26 C ATOM 1060 C ILE A 273 -7.410 4.799 -1.885 1.00 0.28 C ATOM 1061 O ILE A 273 -7.972 4.738 -0.785 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.870 2.759 -2.122 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.763 2.286 -3.577 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.036 2.067 -1.435 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.983 2.594 -4.422 1.00 0.86 C ATOM 0 H ILE A 273 -5.233 4.412 -0.116 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.612 4.667 -3.032 1.00 0.26 H new ATOM 0 HB ILE A 273 -4.967 2.483 -1.577 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.891 2.752 -4.035 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.591 1.210 -3.586 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -6.911 0.987 -1.506 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.066 2.361 -0.386 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.968 2.357 -1.920 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.825 2.227 -5.436 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.857 2.106 -3.991 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -7.145 3.672 -4.448 1.00 0.86 H new ATOM 1077 N SER A 274 -7.915 5.450 -2.922 1.00 0.33 N ATOM 1078 CA SER A 274 -9.216 6.093 -2.883 1.00 0.39 C ATOM 1079 C SER A 274 -10.234 5.255 -3.640 1.00 0.45 C ATOM 1080 O SER A 274 -9.864 4.529 -4.566 1.00 0.50 O ATOM 1081 CB SER A 274 -9.113 7.492 -3.497 1.00 0.52 C ATOM 1082 OG SER A 274 -10.346 8.184 -3.430 1.00 1.13 O ATOM 0 H SER A 274 -7.432 5.546 -3.815 1.00 0.33 H new ATOM 0 HA SER A 274 -9.545 6.183 -1.848 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.346 8.063 -2.974 1.00 0.52 H new ATOM 0 HB3 SER A 274 -8.797 7.411 -4.537 1.00 0.52 H new ATOM 0 HG SER A 274 -10.244 9.073 -3.829 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.502 5.339 -3.225 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.577 4.567 -3.845 1.00 0.62 C ATOM 1090 C GLN A 275 -12.267 3.087 -3.716 1.00 0.62 C ATOM 1091 O GLN A 275 -11.764 2.461 -4.649 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.749 4.961 -5.314 1.00 0.75 C ATOM 1093 CG GLN A 275 -12.824 6.463 -5.523 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.045 6.849 -6.969 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -14.084 6.545 -7.551 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -12.069 7.523 -7.559 1.00 2.27 N ATOM 0 H GLN A 275 -11.807 5.938 -2.458 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.515 4.782 -3.334 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.915 4.561 -5.891 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.657 4.500 -5.704 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -13.634 6.868 -4.917 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -11.900 6.920 -5.168 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -11.223 7.755 -7.039 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -12.164 7.810 -8.533 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.377 2.590 -2.496 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.879 1.271 -2.174 1.00 0.69 C ATOM 1107 C CYS A 276 -12.646 0.698 -1.005 1.00 0.75 C ATOM 1108 O CYS A 276 -12.070 0.089 -0.105 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.408 1.390 -1.801 1.00 0.80 C ATOM 1110 SG CYS A 276 -10.100 2.673 -0.560 1.00 2.00 S ATOM 0 H CYS A 276 -12.808 3.083 -1.714 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.002 0.612 -3.033 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -10.056 0.431 -1.421 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.827 1.611 -2.697 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.290 3.564 -1.049 1.00 2.00 H new ATOM 1116 N SER A 277 -13.927 0.994 -0.956 1.00 0.54 N ATOM 1117 CA SER A 277 -14.720 0.597 0.176 1.00 0.52 C ATOM 1118 C SER A 277 -15.130 -0.879 0.067 1.00 0.48 C ATOM 1119 O SER A 277 -14.300 -1.740 -0.231 1.00 0.47 O ATOM 1120 CB SER A 277 -15.942 1.506 0.312 1.00 0.56 C ATOM 1121 OG SER A 277 -16.771 1.441 -0.839 1.00 0.63 O ATOM 0 H SER A 277 -14.433 1.503 -1.681 1.00 0.54 H new ATOM 0 HA SER A 277 -14.117 0.703 1.078 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.516 1.216 1.192 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.616 2.534 0.469 1.00 0.56 H new ATOM 0 HG SER A 277 -17.544 2.032 -0.719 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.401 -1.166 0.338 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.913 -2.535 0.337 1.00 0.54 C ATOM 1129 C LEU A 278 -17.015 -3.104 -1.081 1.00 0.58 C ATOM 1130 O LEU A 278 -18.109 -3.426 -1.551 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.284 -2.592 1.017 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.264 -2.825 2.531 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.841 -4.251 2.846 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.336 -1.834 3.215 1.00 0.79 C ATOM 0 H LEU A 278 -17.102 -0.460 0.563 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.204 -3.147 0.895 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.807 -1.656 0.819 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.867 -3.388 0.553 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.273 -2.671 2.913 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.833 -4.398 3.926 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.544 -4.948 2.390 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.842 -4.431 2.448 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.337 -2.017 4.290 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.325 -1.955 2.827 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.680 -0.818 3.020 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.885 -3.186 -1.770 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.848 -3.685 -3.139 1.00 0.61 C ATOM 1148 C ALA A 279 -14.413 -3.947 -3.584 1.00 0.58 C ATOM 1149 O ALA A 279 -14.130 -4.942 -4.249 1.00 0.62 O ATOM 1150 CB ALA A 279 -16.520 -2.697 -4.082 1.00 0.71 C ATOM 0 H ALA A 279 -14.975 -2.911 -1.400 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.393 -4.628 -3.171 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -16.484 -3.084 -5.100 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.559 -2.558 -3.783 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.999 -1.741 -4.039 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.515 -3.029 -3.246 1.00 0.56 N ATOM 1157 CA ASP A 280 -12.115 -3.142 -3.648 1.00 0.59 C ATOM 1158 C ASP A 280 -11.361 -4.119 -2.745 1.00 0.50 C ATOM 1159 O ASP A 280 -10.247 -4.538 -3.065 1.00 0.70 O ATOM 1160 CB ASP A 280 -11.442 -1.770 -3.617 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.059 -1.781 -4.237 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -9.951 -1.974 -5.473 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -9.077 -1.587 -3.503 1.00 1.84 O ATOM 0 H ASP A 280 -13.730 -2.198 -2.695 1.00 0.56 H new ATOM 0 HA ASP A 280 -12.086 -3.528 -4.667 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -12.067 -1.051 -4.147 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -11.370 -1.429 -2.584 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.977 -4.458 -1.612 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.403 -5.379 -0.639 1.00 0.33 C ATOM 1170 C ASP A 281 -10.846 -6.631 -1.319 1.00 0.34 C ATOM 1171 O ASP A 281 -11.503 -7.244 -2.164 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.475 -5.730 0.403 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.984 -7.162 0.328 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -12.302 -8.079 0.833 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -14.073 -7.376 -0.240 1.00 0.81 O ATOM 0 H ASP A 281 -12.893 -4.098 -1.345 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.562 -4.899 -0.138 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -12.067 -5.555 1.398 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.319 -5.051 0.280 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.583 -6.916 -1.032 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.853 -7.992 -1.691 1.00 0.37 C ATOM 1182 C ALA A 282 -7.474 -8.146 -1.063 1.00 0.35 C ATOM 1183 O ALA A 282 -7.361 -8.480 0.111 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.736 -7.715 -3.185 1.00 0.48 C ATOM 0 H ALA A 282 -9.036 -6.409 -0.337 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.401 -8.925 -1.559 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -8.189 -8.527 -3.664 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.732 -7.643 -3.621 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.203 -6.777 -3.340 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.433 -7.816 -1.820 1.00 0.22 N ATOM 1191 CA ALA A 283 -5.078 -7.792 -1.287 1.00 0.17 C ATOM 1192 C ALA A 283 -4.238 -6.773 -2.044 1.00 0.15 C ATOM 1193 O ALA A 283 -4.270 -6.742 -3.276 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.440 -9.172 -1.350 1.00 0.22 C ATOM 0 H ALA A 283 -6.503 -7.561 -2.805 1.00 0.22 H new ATOM 0 HA ALA A 283 -5.125 -7.498 -0.239 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.429 -9.124 -0.946 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -5.033 -9.874 -0.763 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.401 -9.508 -2.386 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.420 -6.018 -1.321 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.474 -5.102 -1.951 1.00 0.13 C ATOM 1202 C TYR A 284 -1.052 -5.414 -1.479 1.00 0.14 C ATOM 1203 O TYR A 284 -0.690 -5.117 -0.346 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.788 -3.611 -1.658 1.00 0.15 C ATOM 1205 CG TYR A 284 -3.897 -2.981 -2.495 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -4.976 -3.751 -2.966 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -3.878 -1.633 -2.822 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -5.975 -3.186 -3.724 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -4.883 -1.068 -3.582 1.00 0.32 C ATOM 1210 CZ TYR A 284 -5.915 -1.814 -4.018 1.00 0.35 C ATOM 1211 OH TYR A 284 -6.930 -1.291 -4.783 1.00 0.41 O ATOM 0 H TYR A 284 -3.391 -6.021 -0.301 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.565 -5.252 -3.027 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.057 -3.518 -0.606 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -1.876 -3.033 -1.806 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -5.021 -4.804 -2.728 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.063 -1.015 -2.476 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.794 -3.789 -4.088 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -4.841 -0.017 -3.829 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.679 -1.038 -4.204 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.201 -5.825 -2.406 1.00 0.13 N ATOM 1222 CA GLN A 285 1.207 -5.951 -2.132 1.00 0.13 C ATOM 1223 C GLN A 285 1.843 -4.577 -2.198 1.00 0.12 C ATOM 1224 O GLN A 285 1.279 -3.640 -2.763 1.00 0.13 O ATOM 1225 CB GLN A 285 1.910 -6.885 -3.126 1.00 0.12 C ATOM 1226 CG GLN A 285 1.325 -8.283 -3.199 1.00 0.15 C ATOM 1227 CD GLN A 285 0.171 -8.398 -4.172 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.065 -7.353 -4.947 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.497 -9.425 -4.236 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.471 -6.076 -3.357 1.00 0.13 H new ATOM 0 HA GLN A 285 1.320 -6.385 -1.139 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.869 -6.436 -4.118 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.963 -6.959 -2.853 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.108 -8.983 -3.491 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.986 -8.580 -2.207 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.285 -10.211 -3.621 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.265 -9.493 -4.904 1.00 0.18 H new ATOM 1238 N CYS A 286 2.966 -4.445 -1.550 1.00 0.14 N ATOM 1239 CA CYS A 286 3.638 -3.168 -1.448 1.00 0.19 C ATOM 1240 C CYS A 286 5.042 -3.296 -2.009 1.00 0.19 C ATOM 1241 O CYS A 286 5.627 -4.367 -1.906 1.00 0.20 O ATOM 1242 CB CYS A 286 3.675 -2.764 0.001 1.00 0.28 C ATOM 1243 SG CYS A 286 2.129 -3.082 0.895 1.00 1.00 S ATOM 0 H CYS A 286 3.444 -5.212 -1.078 1.00 0.14 H new ATOM 0 HA CYS A 286 3.108 -2.405 -2.019 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.486 -3.299 0.496 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.908 -1.701 0.065 1.00 0.28 H new ATOM 0 HG CYS A 286 1.335 -2.061 0.766 1.00 1.00 H new ATOM 1249 N VAL A 287 5.449 -2.362 -2.861 1.00 0.20 N ATOM 1250 CA VAL A 287 6.577 -2.659 -3.732 1.00 0.21 C ATOM 1251 C VAL A 287 7.508 -1.459 -4.007 1.00 0.22 C ATOM 1252 O VAL A 287 7.110 -0.297 -3.987 1.00 0.24 O ATOM 1253 CB VAL A 287 6.035 -3.295 -5.051 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.507 -3.340 -5.017 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.526 -2.578 -6.301 1.00 0.27 C ATOM 0 H VAL A 287 5.037 -1.435 -2.966 1.00 0.20 H new ATOM 0 HA VAL A 287 7.218 -3.368 -3.208 1.00 0.21 H new ATOM 0 HB VAL A 287 6.429 -4.310 -5.106 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.135 -3.785 -5.940 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.179 -3.940 -4.168 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.115 -2.328 -4.919 1.00 0.18 H new ATOM 0 HG21 VAL A 287 6.116 -3.066 -7.185 1.00 0.27 H new ATOM 0 HG22 VAL A 287 6.200 -1.538 -6.276 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.615 -2.616 -6.338 1.00 0.27 H new ATOM 1265 N VAL A 288 8.770 -1.762 -4.263 1.00 0.24 N ATOM 1266 CA VAL A 288 9.742 -0.740 -4.622 1.00 0.26 C ATOM 1267 C VAL A 288 10.547 -1.209 -5.826 1.00 0.33 C ATOM 1268 O VAL A 288 11.229 -2.236 -5.765 1.00 0.37 O ATOM 1269 CB VAL A 288 10.696 -0.400 -3.450 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.874 0.430 -3.928 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.958 0.344 -2.349 1.00 0.36 C ATOM 0 H VAL A 288 9.147 -2.709 -4.229 1.00 0.24 H new ATOM 0 HA VAL A 288 9.193 0.170 -4.866 1.00 0.26 H new ATOM 0 HB VAL A 288 11.071 -1.342 -3.050 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.527 0.654 -3.085 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.431 -0.128 -4.680 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.510 1.361 -4.363 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.649 0.572 -1.537 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.549 1.272 -2.748 1.00 0.36 H new ATOM 0 HG23 VAL A 288 9.146 -0.277 -1.971 1.00 0.36 H new ATOM 1281 N GLY A 289 10.379 -0.508 -6.947 1.00 0.43 N ATOM 1282 CA GLY A 289 11.027 -0.890 -8.193 1.00 0.57 C ATOM 1283 C GLY A 289 10.386 -2.106 -8.843 1.00 0.73 C ATOM 1284 O GLY A 289 10.088 -2.107 -10.040 1.00 1.51 O ATOM 0 H GLY A 289 9.798 0.328 -7.014 1.00 0.43 H new ATOM 0 HA2 GLY A 289 10.991 -0.051 -8.888 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.079 -1.099 -8.000 1.00 0.57 H new ATOM 1288 N GLY A 290 10.165 -3.135 -8.044 1.00 0.41 N ATOM 1289 CA GLY A 290 9.577 -4.365 -8.532 1.00 0.41 C ATOM 1290 C GLY A 290 9.273 -5.326 -7.400 1.00 0.37 C ATOM 1291 O GLY A 290 8.273 -6.044 -7.442 1.00 0.64 O ATOM 0 H GLY A 290 10.386 -3.140 -7.048 1.00 0.41 H new ATOM 0 HA2 GLY A 290 8.659 -4.140 -9.075 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.258 -4.839 -9.239 1.00 0.41 H new ATOM 1295 N GLU A 291 10.123 -5.306 -6.375 1.00 0.27 N ATOM 1296 CA GLU A 291 9.944 -6.148 -5.198 1.00 0.22 C ATOM 1297 C GLU A 291 8.633 -5.813 -4.493 1.00 0.16 C ATOM 1298 O GLU A 291 8.429 -4.675 -4.095 1.00 0.19 O ATOM 1299 CB GLU A 291 11.121 -5.916 -4.239 1.00 0.26 C ATOM 1300 CG GLU A 291 12.439 -6.462 -4.762 1.00 0.53 C ATOM 1301 CD GLU A 291 13.615 -6.082 -3.891 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.452 -5.237 -2.990 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.723 -6.611 -4.118 1.00 2.11 O ATOM 0 H GLU A 291 10.949 -4.709 -6.338 1.00 0.27 H new ATOM 0 HA GLU A 291 9.911 -7.193 -5.506 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.226 -4.847 -4.056 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.897 -6.383 -3.280 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.377 -7.548 -4.828 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.606 -6.090 -5.773 1.00 0.53 H new ATOM 1310 N LYS A 292 7.772 -6.817 -4.315 1.00 0.18 N ATOM 1311 CA LYS A 292 6.465 -6.631 -3.681 1.00 0.16 C ATOM 1312 C LYS A 292 6.315 -7.487 -2.421 1.00 0.17 C ATOM 1313 O LYS A 292 6.697 -8.655 -2.393 1.00 0.29 O ATOM 1314 CB LYS A 292 5.345 -6.938 -4.680 1.00 0.18 C ATOM 1315 CG LYS A 292 5.623 -8.130 -5.577 1.00 0.23 C ATOM 1316 CD LYS A 292 4.536 -8.288 -6.626 1.00 0.29 C ATOM 1317 CE LYS A 292 4.991 -9.170 -7.775 1.00 0.49 C ATOM 1318 NZ LYS A 292 6.150 -8.585 -8.500 1.00 1.33 N ATOM 0 H LYS A 292 7.959 -7.777 -4.604 1.00 0.18 H new ATOM 0 HA LYS A 292 6.391 -5.588 -3.373 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.422 -7.119 -4.130 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.178 -6.059 -5.303 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.589 -8.004 -6.066 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.686 -9.036 -4.974 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.646 -8.718 -6.167 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.254 -7.307 -7.009 1.00 0.29 H new ATOM 0 HE2 LYS A 292 5.262 -10.154 -7.392 1.00 0.49 H new ATOM 0 HE3 LYS A 292 4.164 -9.315 -8.470 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 6.198 -8.986 -9.458 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 6.036 -7.553 -8.562 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 7.028 -8.806 -7.987 1.00 1.33 H new ATOM 1332 N CYS A 293 5.683 -6.905 -1.411 1.00 0.16 N ATOM 1333 CA CYS A 293 5.363 -7.606 -0.175 1.00 0.18 C ATOM 1334 C CYS A 293 3.859 -7.725 -0.082 1.00 0.15 C ATOM 1335 O CYS A 293 3.158 -6.728 -0.226 1.00 0.14 O ATOM 1336 CB CYS A 293 5.913 -6.861 1.054 1.00 0.28 C ATOM 1337 SG CYS A 293 5.754 -5.065 0.981 1.00 1.55 S ATOM 0 H CYS A 293 5.377 -5.932 -1.426 1.00 0.16 H new ATOM 0 HA CYS A 293 5.828 -8.592 -0.188 1.00 0.18 H new ATOM 0 HB2 CYS A 293 5.395 -7.222 1.943 1.00 0.28 H new ATOM 0 HB3 CYS A 293 6.966 -7.114 1.174 1.00 0.28 H new ATOM 0 HG CYS A 293 6.113 -4.645 -0.196 1.00 1.55 H new ATOM 1343 N SER A 294 3.361 -8.943 -0.006 1.00 0.17 N ATOM 1344 CA SER A 294 1.934 -9.169 -0.121 1.00 0.18 C ATOM 1345 C SER A 294 1.210 -8.880 1.180 1.00 0.17 C ATOM 1346 O SER A 294 1.705 -9.176 2.269 1.00 0.20 O ATOM 1347 CB SER A 294 1.674 -10.599 -0.587 1.00 0.27 C ATOM 1348 OG SER A 294 2.416 -11.524 0.189 1.00 0.61 O ATOM 0 H SER A 294 3.918 -9.786 0.134 1.00 0.17 H new ATOM 0 HA SER A 294 1.538 -8.476 -0.863 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.610 -10.824 -0.510 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.945 -10.699 -1.638 1.00 0.27 H new ATOM 0 HG SER A 294 2.234 -12.434 -0.125 1.00 0.61 H new ATOM 1354 N THR A 295 0.079 -8.212 1.054 1.00 0.17 N ATOM 1355 CA THR A 295 -0.708 -7.821 2.194 1.00 0.15 C ATOM 1356 C THR A 295 -2.183 -7.812 1.805 1.00 0.15 C ATOM 1357 O THR A 295 -2.540 -7.350 0.724 1.00 0.15 O ATOM 1358 CB THR A 295 -0.245 -6.438 2.722 1.00 0.18 C ATOM 1359 OG1 THR A 295 0.076 -6.531 4.113 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.284 -5.350 2.515 1.00 0.20 C ATOM 0 H THR A 295 -0.314 -7.928 0.157 1.00 0.17 H new ATOM 0 HA THR A 295 -0.569 -8.538 3.003 1.00 0.15 H new ATOM 0 HB THR A 295 0.637 -6.159 2.146 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.100 -5.671 4.548 1.00 0.29 H new ATOM 0 HG21 THR A 295 -0.904 -4.405 2.904 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.495 -5.246 1.451 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.200 -5.617 3.042 1.00 0.20 H new ATOM 1368 N GLU A 296 -3.010 -8.450 2.612 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.425 -8.562 2.302 1.00 0.15 C ATOM 1370 C GLU A 296 -5.125 -7.245 2.607 1.00 0.14 C ATOM 1371 O GLU A 296 -4.660 -6.460 3.434 1.00 0.19 O ATOM 1372 CB GLU A 296 -5.055 -9.714 3.083 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.183 -10.957 3.105 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.868 -12.155 3.733 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -6.079 -12.071 4.021 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -4.197 -13.180 3.961 1.00 0.96 O ATOM 0 H GLU A 296 -2.729 -8.898 3.484 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.542 -8.778 1.240 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.246 -9.391 4.107 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -6.021 -9.961 2.642 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.891 -11.207 2.085 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.267 -10.741 3.655 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.174 -6.960 1.864 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.883 -5.706 2.000 1.00 0.15 C ATOM 1385 C LEU A 297 -8.336 -5.959 2.360 1.00 0.15 C ATOM 1386 O LEU A 297 -9.129 -6.380 1.518 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.797 -4.907 0.698 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.406 -3.512 0.756 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.723 -2.696 1.836 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.291 -2.820 -0.592 1.00 0.29 C ATOM 0 H LEU A 297 -6.556 -7.585 1.155 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.419 -5.129 2.800 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.749 -4.818 0.413 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.295 -5.472 -0.090 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.465 -3.601 0.999 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.163 -1.699 1.872 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -6.855 -3.186 2.801 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.659 -2.615 1.613 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.732 -1.825 -0.529 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.240 -2.734 -0.869 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.818 -3.403 -1.347 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.688 -5.639 3.590 1.00 0.14 N ATOM 1403 CA PHE A 298 -10.061 -5.762 4.054 1.00 0.19 C ATOM 1404 C PHE A 298 -10.650 -4.380 4.234 1.00 0.19 C ATOM 1405 O PHE A 298 -9.931 -3.444 4.552 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.136 -6.532 5.375 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.722 -7.971 5.269 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.385 -8.309 5.157 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.668 -8.983 5.267 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.996 -9.629 5.048 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.286 -10.304 5.159 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.966 -10.636 5.100 1.00 0.45 C ATOM 0 H PHE A 298 -8.038 -5.289 4.293 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.629 -6.318 3.309 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.502 -6.036 6.109 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.157 -6.486 5.753 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.636 -7.530 5.155 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.716 -8.735 5.351 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.953 -9.882 4.924 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -11.037 -11.079 5.121 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.669 -11.674 5.093 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.940 -4.235 4.014 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.576 -2.942 4.182 1.00 0.28 C ATOM 1424 C VAL A 299 -13.582 -2.970 5.326 1.00 0.32 C ATOM 1425 O VAL A 299 -14.355 -3.918 5.471 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.262 -2.462 2.888 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.320 -3.447 2.430 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.857 -1.078 3.088 1.00 0.35 C ATOM 0 H VAL A 299 -12.564 -4.987 3.722 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.785 -2.232 4.425 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.507 -2.403 2.104 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.786 -3.081 1.515 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.857 -4.415 2.239 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -15.078 -3.554 3.206 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.338 -0.752 2.166 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.595 -1.111 3.890 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.066 -0.376 3.352 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.566 -1.923 6.133 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.497 -1.786 7.230 1.00 0.41 C ATOM 1440 C LYS A 300 -15.545 -0.745 6.869 1.00 0.40 C ATOM 1441 O LYS A 300 -15.203 0.356 6.422 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.756 -1.363 8.497 1.00 0.48 C ATOM 1443 CG LYS A 300 -14.586 -1.503 9.761 1.00 1.17 C ATOM 1444 CD LYS A 300 -14.936 -2.955 10.047 1.00 1.72 C ATOM 1445 CE LYS A 300 -13.693 -3.797 10.291 1.00 2.32 C ATOM 1446 NZ LYS A 300 -14.039 -5.184 10.696 1.00 3.03 N ATOM 0 H LYS A 300 -12.908 -1.149 6.043 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.983 -2.744 7.415 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.852 -1.964 8.597 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.439 -0.325 8.393 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -14.035 -1.088 10.605 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -15.502 -0.921 9.661 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -15.587 -3.007 10.919 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -15.495 -3.367 9.207 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -13.088 -3.823 9.385 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -13.085 -3.332 11.067 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -13.166 -5.728 10.853 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -14.596 -5.161 11.574 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -14.598 -5.636 9.944 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.812 -1.095 7.050 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.904 -0.180 6.751 1.00 0.57 C ATOM 1462 C GLU A 301 -17.917 0.973 7.751 1.00 0.65 C ATOM 1463 O GLU A 301 -17.231 0.864 8.791 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.247 -0.910 6.797 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.415 -1.938 5.698 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.640 -2.801 5.882 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -20.772 -3.435 6.947 1.00 1.21 O ATOM 1468 OE2 GLU A 301 -21.487 -2.833 4.969 1.00 1.44 O ATOM 1469 OXT GLU A 301 -18.617 1.971 7.499 1.00 1.20 O ATOM 0 H GLU A 301 -17.108 -2.005 7.402 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.750 0.215 5.747 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.350 -1.403 7.764 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.052 -0.178 6.725 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.477 -1.428 4.737 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.531 -2.574 5.664 1.00 0.66 H new