USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 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+ -146:sc= -0.236! (180deg=-3.57!) USER MOD Set 1.2: A 293 CYS SG : rot 180:sc= -0.646! USER MOD Set 2.1: A 248 LYS NZ :NH3+ -135:sc= 1.3 (180deg=0.0236) USER MOD Set 2.2: A 276 CYS SG : rot -52:sc= -1.95 USER MOD Set 2.3: A 284 TYR OH : rot 100:sc= 1.53 USER MOD Set 3.1: A 234 THR OG1 : rot 180:sc= 0.0283 USER MOD Set 3.2: A 270 THR OG1 : rot -93:sc= 0.0286 USER MOD Set 4.1: A 226 SER OG : rot -128:sc= 1.26 USER MOD Set 4.2: A 229 HIS : no HD1:sc= 1.04 K(o=2.3,f=-3.2) USER MOD Set 5.1: A 216 GLN :FLIP amide:sc= 0 X(o=0.14,f=0.26) USER MOD Set 5.2: A 240 HIS :FLIP no HE2:sc= 0.258 F(o=-2.5,f=0.26) USER MOD Single : A 217 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0277) USER MOD Single : A 223 TYR OH : rot -140:sc= -0.21 USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 245 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 249 ASN : amide:sc= -0.978 X(o=-0.98,f=-0.87) USER MOD Single : A 251 GLN : amide:sc= -0.48 K(o=-0.48,f=-2.1!) USER MOD Single : A 254 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.2) USER MOD Single : A 255 MET CE :methyl 152:sc= 0 (180deg=-0.712) USER MOD Single : A 256 SER OG : rot 180:sc= -0.0199 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 LYS NZ :NH3+ 167:sc= -0.0193 (180deg=-0.195) 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+ 165:sc= -0.0322 (180deg=-0.0781) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 274 SER OG : rot 109:sc= -1.74! USER MOD Single : A 275 GLN :FLIP amide:sc= -0.26 F(o=-1.9,f=-0.26) USER MOD Single : A 277 SER OG : rot 180:sc= 0.00392 USER MOD Single : A 285 GLN :FLIP amide:sc= -9.48! C(o=-14!,f=-9.5!) USER MOD Single : A 286 CYS SG : rot 126:sc= -5.08! USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 294 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 295 THR OG1 : rot -155:sc= -2.97! USER MOD Single : A 300 LYS NZ :NH3+ -173:sc= 0.854 (180deg=0.792) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 11.829 -2.688 -0.487 1.00 0.50 N ATOM 98 CA ALA A 214 12.580 -1.663 0.202 1.00 0.39 C ATOM 99 C ALA A 214 11.711 -1.005 1.257 1.00 0.25 C ATOM 100 O ALA A 214 11.993 0.097 1.708 1.00 0.27 O ATOM 101 CB ALA A 214 13.088 -0.632 -0.771 1.00 0.48 C ATOM 0 HA ALA A 214 13.438 -2.128 0.688 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.651 0.131 -0.232 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.737 -1.112 -1.504 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.245 -0.167 -1.282 1.00 0.48 H new ATOM 107 N PHE A 215 10.697 -1.726 1.701 1.00 0.25 N ATOM 108 CA PHE A 215 9.890 -1.296 2.813 1.00 0.18 C ATOM 109 C PHE A 215 10.413 -1.989 4.042 1.00 0.21 C ATOM 110 O PHE A 215 10.189 -3.185 4.223 1.00 0.28 O ATOM 111 CB PHE A 215 8.410 -1.644 2.600 1.00 0.20 C ATOM 112 CG PHE A 215 7.813 -1.090 1.326 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.294 -1.469 0.084 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.761 -0.200 1.375 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.742 -0.971 -1.075 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.201 0.304 0.218 1.00 0.31 C ATOM 117 CZ PHE A 215 6.692 -0.081 -1.010 1.00 0.35 C ATOM 0 H PHE A 215 10.416 -2.620 1.299 1.00 0.25 H new ATOM 0 HA PHE A 215 9.951 -0.213 2.917 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.302 -2.729 2.595 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.836 -1.270 3.448 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.116 -2.167 0.023 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.369 0.108 2.333 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.132 -1.278 -2.034 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.378 1.000 0.276 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.257 0.312 -1.917 1.00 0.35 H new ATOM 127 N GLN A 216 11.159 -1.237 4.835 1.00 0.18 N ATOM 128 CA GLN A 216 11.757 -1.721 6.066 1.00 0.21 C ATOM 129 C GLN A 216 10.757 -2.567 6.817 1.00 0.24 C ATOM 130 O GLN A 216 10.961 -3.761 7.036 1.00 0.31 O ATOM 131 CB GLN A 216 12.128 -0.524 6.918 1.00 0.20 C ATOM 132 CG GLN A 216 13.471 -0.647 7.606 1.00 0.25 C ATOM 133 CD GLN A 216 13.795 0.574 8.434 1.00 0.30 C ATOM 134 OE1 GLN A 216 14.820 1.302 8.035 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 13.112 0.877 9.412 1.00 0.79 N flip ATOM 0 H GLN A 216 11.368 -0.259 4.637 1.00 0.18 H new ATOM 0 HA GLN A 216 12.639 -2.320 5.841 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.134 0.367 6.290 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.357 -0.377 7.674 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.471 -1.530 8.246 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.250 -0.795 6.858 1.00 0.25 H new ATOM 0 HE21 GLN A 216 12.327 0.287 9.688 1.00 0.79 H new ATOM 0 HE22 GLN A 216 13.331 1.718 9.946 1.00 0.79 H new ATOM 144 N LYS A 217 9.598 -1.981 7.019 1.00 0.20 N ATOM 145 CA LYS A 217 8.481 -2.702 7.551 1.00 0.22 C ATOM 146 C LYS A 217 7.213 -2.378 6.768 1.00 0.17 C ATOM 147 O LYS A 217 6.708 -1.262 6.840 1.00 0.17 O ATOM 148 CB LYS A 217 8.304 -2.322 9.015 1.00 0.28 C ATOM 149 CG LYS A 217 7.113 -2.971 9.679 1.00 0.36 C ATOM 150 CD LYS A 217 6.857 -2.358 11.047 1.00 0.59 C ATOM 151 CE LYS A 217 5.629 -2.949 11.713 1.00 1.26 C ATOM 152 NZ LYS A 217 5.832 -4.373 12.086 1.00 1.85 N ATOM 0 H LYS A 217 9.411 -0.998 6.818 1.00 0.20 H new ATOM 0 HA LYS A 217 8.667 -3.773 7.466 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.206 -2.596 9.562 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.203 -1.239 9.089 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.230 -2.851 9.051 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.287 -4.042 9.782 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.727 -2.517 11.684 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.730 -1.280 10.944 1.00 0.59 H new ATOM 0 HE2 LYS A 217 5.386 -2.371 12.605 1.00 1.26 H new ATOM 0 HE3 LYS A 217 4.776 -2.868 11.039 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 5.003 -4.715 12.613 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 5.954 -4.943 11.225 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 6.680 -4.458 12.681 1.00 1.85 H new ATOM 166 N LYS A 218 6.584 -3.407 6.240 1.00 0.19 N ATOM 167 CA LYS A 218 5.228 -3.279 5.727 1.00 0.20 C ATOM 168 C LYS A 218 4.271 -3.437 6.904 1.00 0.18 C ATOM 169 O LYS A 218 4.535 -4.236 7.805 1.00 0.20 O ATOM 170 CB LYS A 218 4.933 -4.342 4.652 1.00 0.31 C ATOM 171 CG LYS A 218 3.512 -4.287 4.101 1.00 0.39 C ATOM 172 CD LYS A 218 3.104 -5.596 3.441 1.00 0.96 C ATOM 173 CE LYS A 218 2.768 -6.679 4.465 1.00 1.56 C ATOM 174 NZ LYS A 218 3.976 -7.340 5.029 1.00 2.42 N ATOM 0 H LYS A 218 6.985 -4.341 6.153 1.00 0.19 H new ATOM 0 HA LYS A 218 5.103 -2.304 5.256 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.636 -4.217 3.829 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.110 -5.331 5.075 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.818 -4.058 4.910 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.436 -3.477 3.376 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.239 -5.424 2.800 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.913 -5.944 2.798 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.190 -6.237 5.277 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.135 -7.432 3.995 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 3.767 -8.341 5.221 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 4.758 -7.275 4.347 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 4.249 -6.868 5.914 1.00 2.42 H new ATOM 188 N LEU A 219 3.178 -2.688 6.910 1.00 0.16 N ATOM 189 CA LEU A 219 2.189 -2.805 7.975 1.00 0.16 C ATOM 190 C LEU A 219 1.558 -4.202 7.957 1.00 0.16 C ATOM 191 O LEU A 219 1.815 -4.985 7.039 1.00 0.17 O ATOM 192 CB LEU A 219 1.114 -1.721 7.864 1.00 0.20 C ATOM 193 CG LEU A 219 1.018 -0.763 9.058 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.568 -1.502 10.308 1.00 1.20 C ATOM 195 CD2 LEU A 219 2.354 -0.072 9.299 1.00 1.62 C ATOM 0 H LEU A 219 2.953 -1.996 6.195 1.00 0.16 H new ATOM 0 HA LEU A 219 2.699 -2.661 8.928 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.305 -1.135 6.965 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.147 -2.205 7.730 1.00 0.20 H new ATOM 0 HG LEU A 219 0.273 -0.002 8.824 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.507 -0.803 11.142 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.412 -1.947 10.135 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.286 -2.287 10.545 1.00 1.20 H new ATOM 0 HD21 LEU A 219 2.266 0.604 10.150 1.00 1.62 H new ATOM 0 HD22 LEU A 219 3.118 -0.821 9.508 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.635 0.496 8.412 1.00 1.62 H new ATOM 207 N GLU A 220 0.825 -4.536 9.019 1.00 0.17 N ATOM 208 CA GLU A 220 0.228 -5.865 9.184 1.00 0.20 C ATOM 209 C GLU A 220 -0.446 -6.340 7.897 1.00 0.19 C ATOM 210 O GLU A 220 -1.009 -5.536 7.156 1.00 0.19 O ATOM 211 CB GLU A 220 -0.816 -5.817 10.306 1.00 0.23 C ATOM 212 CG GLU A 220 -1.973 -4.869 10.015 1.00 0.24 C ATOM 213 CD GLU A 220 -3.041 -4.900 11.086 1.00 0.75 C ATOM 214 OE1 GLU A 220 -3.603 -5.987 11.333 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.313 -3.845 11.695 1.00 1.12 O ATOM 0 H GLU A 220 0.628 -3.896 9.788 1.00 0.17 H new ATOM 0 HA GLU A 220 1.026 -6.565 9.433 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.210 -6.820 10.469 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.329 -5.511 11.232 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.589 -3.853 9.921 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.419 -5.132 9.056 1.00 0.24 H new ATOM 222 N PRO A 221 -0.356 -7.649 7.591 1.00 0.22 N ATOM 223 CA PRO A 221 -0.900 -8.232 6.349 1.00 0.23 C ATOM 224 C PRO A 221 -2.424 -8.199 6.267 1.00 0.20 C ATOM 225 O PRO A 221 -3.020 -8.974 5.524 1.00 0.19 O ATOM 226 CB PRO A 221 -0.405 -9.681 6.383 1.00 0.29 C ATOM 227 CG PRO A 221 -0.145 -9.958 7.823 1.00 0.57 C ATOM 228 CD PRO A 221 0.341 -8.661 8.404 1.00 0.26 C ATOM 0 HA PRO A 221 -0.571 -7.663 5.479 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.151 -10.364 5.977 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.499 -9.805 5.786 1.00 0.29 H new ATOM 0 HG2 PRO A 221 -1.050 -10.298 8.326 1.00 0.57 H new ATOM 0 HG3 PRO A 221 0.600 -10.744 7.942 1.00 0.57 H new ATOM 0 HD2 PRO A 221 0.089 -8.573 9.461 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.424 -8.565 8.326 1.00 0.26 H new ATOM 236 N ALA A 222 -3.027 -7.199 6.886 1.00 0.20 N ATOM 237 CA ALA A 222 -4.455 -6.975 6.778 1.00 0.19 C ATOM 238 C ALA A 222 -4.765 -5.498 6.931 1.00 0.15 C ATOM 239 O ALA A 222 -5.122 -5.030 8.015 1.00 0.17 O ATOM 240 CB ALA A 222 -5.219 -7.779 7.814 1.00 0.24 C ATOM 0 H ALA A 222 -2.541 -6.523 7.475 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.774 -7.308 5.790 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.287 -7.589 7.707 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.023 -8.841 7.667 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.897 -7.485 8.813 1.00 0.24 H new ATOM 246 N TYR A 223 -4.677 -4.779 5.831 1.00 0.12 N ATOM 247 CA TYR A 223 -5.024 -3.370 5.822 1.00 0.11 C ATOM 248 C TYR A 223 -6.537 -3.239 5.765 1.00 0.13 C ATOM 249 O TYR A 223 -7.187 -3.943 4.997 1.00 0.17 O ATOM 250 CB TYR A 223 -4.398 -2.660 4.614 1.00 0.12 C ATOM 251 CG TYR A 223 -2.900 -2.433 4.693 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.061 -3.312 5.363 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.325 -1.335 4.071 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.696 -3.100 5.408 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.960 -1.122 4.111 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.153 -2.005 4.778 1.00 0.16 C ATOM 257 OH TYR A 223 1.207 -1.793 4.811 1.00 0.21 O ATOM 0 H TYR A 223 -4.368 -5.146 4.931 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.638 -2.903 6.728 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.612 -3.245 3.720 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.888 -1.694 4.488 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.481 -4.175 5.857 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.956 -0.633 3.545 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.058 -3.792 5.937 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.531 -0.262 3.618 1.00 0.20 H new ATOM 0 HH TYR A 223 1.386 -0.837 4.932 1.00 0.21 H new ATOM 267 N GLN A 224 -7.101 -2.404 6.620 1.00 0.15 N ATOM 268 CA GLN A 224 -8.547 -2.229 6.657 1.00 0.18 C ATOM 269 C GLN A 224 -8.949 -0.866 6.113 1.00 0.17 C ATOM 270 O GLN A 224 -8.729 0.157 6.766 1.00 0.22 O ATOM 271 CB GLN A 224 -9.078 -2.390 8.082 1.00 0.26 C ATOM 272 CG GLN A 224 -9.021 -3.815 8.603 1.00 0.34 C ATOM 273 CD GLN A 224 -9.592 -3.937 9.999 1.00 0.61 C ATOM 274 OE1 GLN A 224 -10.755 -3.612 10.241 1.00 1.42 O ATOM 275 NE2 GLN A 224 -8.783 -4.400 10.934 1.00 0.99 N ATOM 0 H GLN A 224 -6.586 -1.839 7.295 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.986 -3.001 6.025 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.503 -1.747 8.748 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.110 -2.042 8.116 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.573 -4.469 7.928 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.987 -4.158 8.604 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -7.825 -4.660 10.697 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -9.116 -4.498 11.893 1.00 0.99 H new ATOM 284 N VAL A 225 -9.555 -0.857 4.928 1.00 0.16 N ATOM 285 CA VAL A 225 -10.057 0.375 4.345 1.00 0.18 C ATOM 286 C VAL A 225 -11.176 0.917 5.190 1.00 0.24 C ATOM 287 O VAL A 225 -12.233 0.310 5.240 1.00 0.30 O ATOM 288 CB VAL A 225 -10.662 0.171 2.939 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.920 1.516 2.266 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.792 -0.714 2.073 1.00 0.77 C ATOM 0 H VAL A 225 -9.708 -1.689 4.358 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.200 1.047 4.288 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.616 -0.342 3.062 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.346 1.352 1.276 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.617 2.097 2.870 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.981 2.061 2.171 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.254 -0.831 1.093 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.809 -0.257 1.958 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.685 -1.692 2.543 1.00 0.77 H new ATOM 300 N SER A 226 -11.078 2.160 5.579 1.00 0.26 N ATOM 301 CA SER A 226 -12.260 2.815 6.065 1.00 0.33 C ATOM 302 C SER A 226 -13.095 3.161 4.834 1.00 0.32 C ATOM 303 O SER A 226 -12.612 3.867 3.946 1.00 0.32 O ATOM 304 CB SER A 226 -11.895 4.054 6.870 1.00 0.42 C ATOM 305 OG SER A 226 -13.018 4.561 7.570 1.00 1.20 O ATOM 0 H SER A 226 -10.226 2.721 5.571 1.00 0.26 H new ATOM 0 HA SER A 226 -12.826 2.174 6.740 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.102 3.811 7.577 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.502 4.821 6.203 1.00 0.42 H new ATOM 0 HG SER A 226 -13.123 5.515 7.373 1.00 1.20 H new ATOM 311 N LYS A 227 -14.137 2.365 4.624 1.00 0.34 N ATOM 312 CA LYS A 227 -14.841 2.317 3.345 1.00 0.37 C ATOM 313 C LYS A 227 -15.122 3.706 2.779 1.00 0.42 C ATOM 314 O LYS A 227 -15.756 4.548 3.419 1.00 0.48 O ATOM 315 CB LYS A 227 -16.150 1.528 3.485 1.00 0.44 C ATOM 316 CG LYS A 227 -17.206 2.239 4.325 1.00 0.95 C ATOM 317 CD LYS A 227 -18.520 2.419 3.579 1.00 0.93 C ATOM 318 CE LYS A 227 -19.332 1.135 3.547 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.654 1.329 2.894 1.00 1.54 N ATOM 0 H LYS A 227 -14.518 1.736 5.331 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.184 1.809 2.639 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.557 1.336 2.492 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.934 0.558 3.934 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.385 1.669 5.237 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -16.828 3.215 4.628 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -19.104 3.206 4.056 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.317 2.746 2.559 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.773 0.366 3.014 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.480 0.774 4.565 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -21.176 0.429 2.893 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -21.198 2.044 3.417 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.514 1.649 1.914 1.00 1.54 H new ATOM 333 N GLY A 228 -14.609 3.940 1.578 1.00 0.46 N ATOM 334 CA GLY A 228 -14.819 5.205 0.896 1.00 0.57 C ATOM 335 C GLY A 228 -14.137 6.376 1.578 1.00 0.57 C ATOM 336 O GLY A 228 -14.205 7.507 1.100 1.00 0.70 O ATOM 0 H GLY A 228 -14.045 3.268 1.058 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.450 5.124 -0.126 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.889 5.403 0.834 1.00 0.57 H new ATOM 340 N HIS A 229 -13.431 6.100 2.664 1.00 0.47 N ATOM 341 CA HIS A 229 -12.695 7.132 3.378 1.00 0.53 C ATOM 342 C HIS A 229 -11.265 7.173 2.875 1.00 0.54 C ATOM 343 O HIS A 229 -10.438 7.931 3.385 1.00 1.02 O ATOM 344 CB HIS A 229 -12.714 6.872 4.885 1.00 0.55 C ATOM 345 CG HIS A 229 -14.065 7.026 5.522 1.00 1.32 C ATOM 346 ND1 HIS A 229 -14.270 6.891 6.875 1.00 1.94 N ATOM 347 CD2 HIS A 229 -15.283 7.290 4.989 1.00 2.31 C ATOM 348 CE1 HIS A 229 -15.549 7.060 7.148 1.00 2.66 C ATOM 349 NE2 HIS A 229 -16.187 7.305 6.023 1.00 2.89 N ATOM 0 H HIS A 229 -13.352 5.168 3.071 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.174 8.094 3.194 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.350 5.862 5.072 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -12.017 7.556 5.369 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -15.502 7.458 3.945 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -15.997 7.006 8.129 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -17.188 7.478 5.934 1.00 2.89 H new ATOM 358 N LYS A 230 -10.992 6.313 1.889 1.00 0.30 N ATOM 359 CA LYS A 230 -9.671 6.186 1.270 1.00 0.28 C ATOM 360 C LYS A 230 -8.698 5.502 2.220 1.00 0.24 C ATOM 361 O LYS A 230 -8.285 6.094 3.220 1.00 0.28 O ATOM 362 CB LYS A 230 -9.107 7.559 0.875 1.00 0.36 C ATOM 363 CG LYS A 230 -9.986 8.348 -0.083 1.00 1.00 C ATOM 364 CD LYS A 230 -9.585 9.818 -0.130 1.00 1.23 C ATOM 365 CE LYS A 230 -8.121 9.993 -0.502 1.00 1.65 C ATOM 366 NZ LYS A 230 -7.737 11.425 -0.601 1.00 2.24 N ATOM 0 H LYS A 230 -11.689 5.680 1.495 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.790 5.581 0.371 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.955 8.149 1.779 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.128 7.418 0.418 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.914 7.918 -1.082 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -11.028 8.264 0.225 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -10.209 10.342 -0.854 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -9.770 10.276 0.841 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -7.497 9.501 0.244 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -7.928 9.500 -1.455 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -6.732 11.498 -0.856 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -8.314 11.890 -1.331 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -7.896 11.891 0.315 1.00 2.24 H new ATOM 380 N ILE A 231 -8.324 4.260 1.930 1.00 0.20 N ATOM 381 CA ILE A 231 -7.395 3.573 2.829 1.00 0.17 C ATOM 382 C ILE A 231 -5.950 3.897 2.471 1.00 0.16 C ATOM 383 O ILE A 231 -5.593 4.010 1.304 1.00 0.17 O ATOM 384 CB ILE A 231 -7.567 2.038 2.862 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.564 1.434 3.858 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.355 1.442 1.484 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.583 -0.071 3.937 1.00 0.19 C ATOM 0 H ILE A 231 -8.631 3.725 1.118 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.638 3.947 3.823 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.583 1.805 3.179 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.560 1.757 3.583 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.768 1.839 4.849 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.481 0.360 1.532 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.083 1.862 0.790 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.348 1.675 1.138 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.844 -0.407 4.664 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.573 -0.407 4.245 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.346 -0.490 2.959 1.00 0.19 H new ATOM 399 N ARG A 232 -5.150 4.105 3.497 1.00 0.17 N ATOM 400 CA ARG A 232 -3.753 4.456 3.334 1.00 0.17 C ATOM 401 C ARG A 232 -2.873 3.235 3.609 1.00 0.15 C ATOM 402 O ARG A 232 -3.111 2.518 4.580 1.00 0.19 O ATOM 403 CB ARG A 232 -3.412 5.569 4.314 1.00 0.22 C ATOM 404 CG ARG A 232 -4.385 6.737 4.299 1.00 0.34 C ATOM 405 CD ARG A 232 -4.050 7.734 5.394 1.00 0.77 C ATOM 406 NE ARG A 232 -3.913 7.082 6.698 1.00 1.44 N ATOM 407 CZ ARG A 232 -4.933 6.587 7.406 1.00 2.13 C ATOM 408 NH1 ARG A 232 -6.190 6.836 7.045 1.00 2.48 N ATOM 409 NH2 ARG A 232 -4.690 5.874 8.497 1.00 3.14 N ATOM 0 H ARG A 232 -5.450 4.035 4.469 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.574 4.793 2.313 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.378 5.153 5.321 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.412 5.941 4.089 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -4.351 7.232 3.328 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.402 6.370 4.434 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -3.122 8.249 5.146 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -4.831 8.492 5.447 1.00 0.77 H new ATOM 0 HE ARG A 232 -2.976 7.000 7.093 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -6.381 7.408 6.223 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -6.963 6.454 7.591 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -3.728 5.706 8.792 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -5.465 5.494 9.041 1.00 3.14 H new ATOM 423 N LEU A 233 -1.860 2.990 2.775 1.00 0.13 N ATOM 424 CA LEU A 233 -0.999 1.848 2.982 1.00 0.14 C ATOM 425 C LEU A 233 0.284 2.309 3.635 1.00 0.13 C ATOM 426 O LEU A 233 1.175 2.823 2.965 1.00 0.13 O ATOM 427 CB LEU A 233 -0.720 1.141 1.650 1.00 0.15 C ATOM 428 CG LEU A 233 -1.812 0.162 1.176 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.142 0.869 0.952 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.383 -0.545 -0.098 1.00 0.23 C ATOM 0 H LEU A 233 -1.626 3.564 1.965 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.491 1.130 3.638 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.577 1.899 0.880 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.219 0.595 1.738 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.949 -0.576 1.966 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.887 0.146 0.618 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.472 1.326 1.885 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.020 1.641 0.192 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.168 -1.231 -0.415 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.207 0.192 -0.881 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.466 -1.104 0.087 1.00 0.23 H new ATOM 442 N THR A 234 0.303 2.256 4.954 1.00 0.14 N ATOM 443 CA THR A 234 1.415 2.781 5.722 1.00 0.16 C ATOM 444 C THR A 234 2.494 1.722 5.912 1.00 0.16 C ATOM 445 O THR A 234 2.194 0.544 6.109 1.00 0.22 O ATOM 446 CB THR A 234 0.942 3.305 7.092 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.162 4.205 6.906 1.00 0.33 O ATOM 448 CG2 THR A 234 2.068 4.027 7.819 1.00 0.24 C ATOM 0 H THR A 234 -0.445 1.852 5.518 1.00 0.14 H new ATOM 0 HA THR A 234 1.839 3.613 5.160 1.00 0.16 H new ATOM 0 HB THR A 234 0.631 2.454 7.697 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.464 4.537 7.777 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.707 4.387 8.783 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.899 3.340 7.976 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.405 4.873 7.219 1.00 0.24 H new ATOM 456 N VAL A 235 3.740 2.142 5.759 1.00 0.14 N ATOM 457 CA VAL A 235 4.893 1.259 5.852 1.00 0.14 C ATOM 458 C VAL A 235 6.079 2.040 6.390 1.00 0.14 C ATOM 459 O VAL A 235 6.228 3.215 6.079 1.00 0.16 O ATOM 460 CB VAL A 235 5.283 0.689 4.468 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.188 -0.193 3.912 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.557 1.825 3.507 1.00 0.14 C ATOM 0 H VAL A 235 3.982 3.114 5.565 1.00 0.14 H new ATOM 0 HA VAL A 235 4.629 0.434 6.514 1.00 0.14 H new ATOM 0 HB VAL A 235 6.181 0.084 4.590 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.491 -0.579 2.939 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.010 -1.025 4.593 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.273 0.389 3.803 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.831 1.420 2.533 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.662 2.439 3.405 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.375 2.436 3.889 1.00 0.14 H new ATOM 472 N GLU A 236 7.014 1.364 7.016 1.00 0.13 N ATOM 473 CA GLU A 236 8.271 2.003 7.315 1.00 0.13 C ATOM 474 C GLU A 236 9.212 1.675 6.181 1.00 0.13 C ATOM 475 O GLU A 236 9.434 0.509 5.890 1.00 0.17 O ATOM 476 CB GLU A 236 8.852 1.525 8.645 1.00 0.18 C ATOM 477 CG GLU A 236 9.772 2.548 9.288 1.00 0.29 C ATOM 478 CD GLU A 236 10.199 2.170 10.690 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.949 1.016 11.090 1.00 1.18 O ATOM 480 OE2 GLU A 236 10.791 3.012 11.397 1.00 1.05 O ATOM 0 H GLU A 236 6.931 0.394 7.322 1.00 0.13 H new ATOM 0 HA GLU A 236 8.126 3.079 7.412 1.00 0.13 H new ATOM 0 HB2 GLU A 236 8.036 1.295 9.331 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.403 0.599 8.483 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.659 2.671 8.666 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.267 3.513 9.317 1.00 0.29 H new ATOM 487 N LEU A 237 9.616 2.678 5.433 1.00 0.13 N ATOM 488 CA LEU A 237 10.443 2.444 4.264 1.00 0.15 C ATOM 489 C LEU A 237 11.881 2.196 4.663 1.00 0.17 C ATOM 490 O LEU A 237 12.362 2.756 5.637 1.00 0.19 O ATOM 491 CB LEU A 237 10.387 3.629 3.300 1.00 0.17 C ATOM 492 CG LEU A 237 9.438 3.478 2.114 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.453 4.735 1.267 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.821 2.277 1.267 1.00 0.55 C ATOM 0 H LEU A 237 9.389 3.657 5.609 1.00 0.13 H new ATOM 0 HA LEU A 237 10.049 1.560 3.762 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.097 4.517 3.862 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.391 3.809 2.917 1.00 0.17 H new ATOM 0 HG LEU A 237 8.431 3.321 2.501 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.772 4.614 0.425 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.135 5.585 1.871 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.462 4.911 0.895 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.131 2.189 0.428 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.836 2.406 0.891 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.771 1.373 1.874 1.00 0.55 H new ATOM 506 N ALA A 238 12.586 1.461 3.828 1.00 0.19 N ATOM 507 CA ALA A 238 14.024 1.320 3.954 1.00 0.21 C ATOM 508 C ALA A 238 14.676 2.450 3.175 1.00 0.23 C ATOM 509 O ALA A 238 15.658 3.047 3.607 1.00 0.28 O ATOM 510 CB ALA A 238 14.476 -0.030 3.424 1.00 0.25 C ATOM 0 H ALA A 238 12.182 0.946 3.046 1.00 0.19 H new ATOM 0 HA ALA A 238 14.317 1.373 5.003 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.558 -0.118 3.527 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.992 -0.824 3.992 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.203 -0.118 2.372 1.00 0.25 H new ATOM 516 N ASP A 239 14.038 2.791 2.061 1.00 0.22 N ATOM 517 CA ASP A 239 14.474 3.902 1.211 1.00 0.25 C ATOM 518 C ASP A 239 14.278 5.236 1.902 1.00 0.25 C ATOM 519 O ASP A 239 15.085 6.150 1.740 1.00 0.34 O ATOM 520 CB ASP A 239 13.701 3.922 -0.101 1.00 0.31 C ATOM 521 CG ASP A 239 14.297 3.000 -1.139 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.517 3.090 -1.389 1.00 1.28 O ATOM 523 OD2 ASP A 239 13.550 2.205 -1.730 1.00 1.19 O ATOM 0 H ASP A 239 13.206 2.309 1.719 1.00 0.22 H new ATOM 0 HA ASP A 239 15.535 3.748 1.013 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.667 3.633 0.086 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.682 4.939 -0.492 1.00 0.31 H new ATOM 528 N HIS A 240 13.153 5.358 2.602 1.00 0.27 N ATOM 529 CA HIS A 240 12.779 6.581 3.317 1.00 0.39 C ATOM 530 C HIS A 240 12.258 7.661 2.372 1.00 0.47 C ATOM 531 O HIS A 240 11.224 8.270 2.641 1.00 0.70 O ATOM 532 CB HIS A 240 13.947 7.132 4.147 1.00 0.46 C ATOM 533 CG HIS A 240 14.407 6.206 5.230 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.067 4.926 5.502 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.298 6.578 6.203 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.749 4.551 6.634 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.490 5.571 7.031 1.00 0.48 N flip ATOM 0 H HIS A 240 12.469 4.607 2.691 1.00 0.27 H new ATOM 0 HA HIS A 240 11.971 6.304 3.995 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.785 7.344 3.483 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.647 8.080 4.595 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.423 4.345 4.965 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.770 7.547 6.279 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.690 3.587 7.117 1.00 0.57 H new ATOM 546 N ASP A 241 12.950 7.888 1.265 1.00 0.41 N ATOM 547 CA ASP A 241 12.540 8.920 0.322 1.00 0.51 C ATOM 548 C ASP A 241 12.638 8.417 -1.112 1.00 0.44 C ATOM 549 O ASP A 241 13.360 8.969 -1.941 1.00 0.78 O ATOM 550 CB ASP A 241 13.375 10.193 0.510 1.00 0.80 C ATOM 551 CG ASP A 241 12.812 11.373 -0.261 1.00 1.53 C ATOM 552 OD1 ASP A 241 11.604 11.670 -0.121 1.00 2.22 O ATOM 553 OD2 ASP A 241 13.568 12.001 -1.031 1.00 2.08 O ATOM 0 H ASP A 241 13.791 7.377 0.998 1.00 0.41 H new ATOM 0 HA ASP A 241 11.497 9.165 0.523 1.00 0.51 H new ATOM 0 HB2 ASP A 241 13.418 10.443 1.570 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.398 10.005 0.185 1.00 0.80 H new ATOM 558 N ALA A 242 11.878 7.376 -1.400 1.00 0.33 N ATOM 559 CA ALA A 242 11.815 6.820 -2.741 1.00 0.30 C ATOM 560 C ALA A 242 10.378 6.597 -3.153 1.00 0.24 C ATOM 561 O ALA A 242 9.491 6.458 -2.305 1.00 0.28 O ATOM 562 CB ALA A 242 12.573 5.512 -2.829 1.00 0.38 C ATOM 0 H ALA A 242 11.291 6.895 -0.718 1.00 0.33 H new ATOM 0 HA ALA A 242 12.280 7.538 -3.417 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.507 5.121 -3.844 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.619 5.680 -2.572 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.139 4.793 -2.134 1.00 0.38 H new ATOM 568 N GLU A 243 10.159 6.544 -4.452 1.00 0.26 N ATOM 569 CA GLU A 243 8.837 6.317 -4.991 1.00 0.30 C ATOM 570 C GLU A 243 8.409 4.890 -4.700 1.00 0.25 C ATOM 571 O GLU A 243 9.034 3.937 -5.171 1.00 0.25 O ATOM 572 CB GLU A 243 8.821 6.551 -6.506 1.00 0.39 C ATOM 573 CG GLU A 243 9.208 7.960 -6.943 1.00 0.67 C ATOM 574 CD GLU A 243 10.621 8.349 -6.562 1.00 1.10 C ATOM 575 OE1 GLU A 243 11.560 7.599 -6.897 1.00 1.64 O ATOM 576 OE2 GLU A 243 10.801 9.403 -5.926 1.00 1.56 O ATOM 0 H GLU A 243 10.888 6.656 -5.157 1.00 0.26 H new ATOM 0 HA GLU A 243 8.146 7.017 -4.521 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.502 5.841 -6.976 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.822 6.331 -6.882 1.00 0.39 H new ATOM 0 HG2 GLU A 243 9.098 8.038 -8.025 1.00 0.67 H new ATOM 0 HG3 GLU A 243 8.512 8.672 -6.499 1.00 0.67 H new ATOM 583 N VAL A 244 7.327 4.741 -3.966 1.00 0.24 N ATOM 584 CA VAL A 244 6.799 3.427 -3.679 1.00 0.21 C ATOM 585 C VAL A 244 5.678 3.098 -4.642 1.00 0.20 C ATOM 586 O VAL A 244 4.680 3.813 -4.723 1.00 0.23 O ATOM 587 CB VAL A 244 6.300 3.295 -2.215 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.473 3.401 -1.252 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.230 4.341 -1.885 1.00 0.27 C ATOM 0 H VAL A 244 6.798 5.512 -3.559 1.00 0.24 H new ATOM 0 HA VAL A 244 7.615 2.716 -3.806 1.00 0.21 H new ATOM 0 HB VAL A 244 5.838 2.314 -2.104 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.112 3.307 -0.228 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.187 2.604 -1.460 1.00 0.24 H new ATOM 0 HG13 VAL A 244 7.961 4.368 -1.378 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.906 4.216 -0.852 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.645 5.340 -2.017 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.377 4.211 -2.551 1.00 0.27 H new ATOM 599 N LYS A 245 5.805 1.968 -5.297 1.00 0.18 N ATOM 600 CA LYS A 245 4.733 1.460 -6.110 1.00 0.19 C ATOM 601 C LYS A 245 4.104 0.314 -5.361 1.00 0.15 C ATOM 602 O LYS A 245 4.691 -0.210 -4.419 1.00 0.16 O ATOM 603 CB LYS A 245 5.228 1.024 -7.488 1.00 0.30 C ATOM 604 CG LYS A 245 5.464 2.188 -8.439 1.00 0.89 C ATOM 605 CD LYS A 245 5.782 1.711 -9.847 1.00 1.51 C ATOM 606 CE LYS A 245 7.128 1.005 -9.915 1.00 2.00 C ATOM 607 NZ LYS A 245 7.412 0.489 -11.280 1.00 2.79 N ATOM 0 H LYS A 245 6.642 1.385 -5.281 1.00 0.18 H new ATOM 0 HA LYS A 245 3.996 2.243 -6.291 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.156 0.464 -7.373 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.499 0.345 -7.930 1.00 0.30 H new ATOM 0 HG2 LYS A 245 4.579 2.824 -8.462 1.00 0.89 H new ATOM 0 HG3 LYS A 245 6.286 2.800 -8.068 1.00 0.89 H new ATOM 0 HD2 LYS A 245 4.999 1.033 -10.187 1.00 1.51 H new ATOM 0 HD3 LYS A 245 5.784 2.563 -10.527 1.00 1.51 H new ATOM 0 HE2 LYS A 245 7.916 1.696 -9.616 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.142 0.179 -9.204 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 8.337 0.015 -11.286 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 6.673 -0.189 -11.555 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 7.424 1.280 -11.955 1.00 2.79 H new ATOM 621 N TRP A 246 2.855 0.061 -5.603 1.00 0.14 N ATOM 622 CA TRP A 246 2.166 -0.918 -4.802 1.00 0.13 C ATOM 623 C TRP A 246 1.493 -1.906 -5.719 1.00 0.14 C ATOM 624 O TRP A 246 1.654 -1.830 -6.927 1.00 0.14 O ATOM 625 CB TRP A 246 1.196 -0.253 -3.807 1.00 0.14 C ATOM 626 CG TRP A 246 1.887 0.727 -2.882 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.440 1.926 -3.237 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.125 0.595 -1.466 1.00 0.11 C ATOM 629 NE1 TRP A 246 2.993 2.535 -2.144 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.815 1.753 -1.055 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.827 -0.370 -0.501 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.208 1.970 0.257 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.225 -0.144 0.810 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.904 1.021 1.171 1.00 0.15 C ATOM 0 H TRP A 246 2.296 0.505 -6.332 1.00 0.14 H new ATOM 0 HA TRP A 246 2.880 -1.462 -4.183 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.414 0.266 -4.361 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.707 -1.024 -3.212 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.440 2.334 -4.237 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.466 3.439 -2.149 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.298 -1.273 -0.769 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.739 2.867 0.539 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.005 -0.884 1.565 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.192 1.167 2.201 1.00 0.15 H new ATOM 645 N LEU A 247 1.048 -2.991 -5.179 1.00 0.15 N ATOM 646 CA LEU A 247 0.578 -4.073 -6.002 1.00 0.14 C ATOM 647 C LEU A 247 -0.831 -4.446 -5.574 1.00 0.15 C ATOM 648 O LEU A 247 -1.067 -4.716 -4.419 1.00 0.16 O ATOM 649 CB LEU A 247 1.535 -5.262 -5.840 1.00 0.15 C ATOM 650 CG LEU A 247 2.425 -5.644 -7.028 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.806 -6.782 -7.819 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.694 -4.455 -7.926 1.00 0.17 C ATOM 0 H LEU A 247 0.997 -3.159 -4.174 1.00 0.15 H new ATOM 0 HA LEU A 247 0.553 -3.780 -7.052 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.185 -5.052 -4.991 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.939 -6.136 -5.577 1.00 0.15 H new ATOM 0 HG LEU A 247 3.382 -5.980 -6.628 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.454 -7.037 -8.657 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.689 -7.652 -7.173 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.830 -6.475 -8.195 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.328 -4.763 -8.757 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.750 -4.070 -8.313 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.198 -3.675 -7.355 1.00 0.17 H new ATOM 664 N LYS A 248 -1.722 -4.615 -6.516 1.00 0.19 N ATOM 665 CA LYS A 248 -3.003 -5.215 -6.209 1.00 0.25 C ATOM 666 C LYS A 248 -2.821 -6.705 -6.390 1.00 0.25 C ATOM 667 O LYS A 248 -1.896 -7.097 -7.093 1.00 0.21 O ATOM 668 CB LYS A 248 -4.108 -4.699 -7.142 1.00 0.34 C ATOM 669 CG LYS A 248 -5.461 -5.361 -6.915 1.00 0.77 C ATOM 670 CD LYS A 248 -6.451 -5.009 -8.015 1.00 0.95 C ATOM 671 CE LYS A 248 -6.958 -3.582 -7.894 1.00 1.57 C ATOM 672 NZ LYS A 248 -7.897 -3.415 -6.753 1.00 2.06 N ATOM 0 H LYS A 248 -1.591 -4.351 -7.492 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.311 -4.961 -5.195 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.213 -3.623 -7.006 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.803 -4.861 -8.176 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.334 -6.443 -6.872 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.862 -5.048 -5.951 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -5.975 -5.143 -8.986 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -7.295 -5.697 -7.976 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -6.112 -2.907 -7.768 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -7.458 -3.296 -8.819 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -8.720 -2.859 -7.060 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.213 -4.350 -6.424 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.415 -2.920 -5.976 1.00 2.06 H new ATOM 686 N ASN A 249 -3.546 -7.522 -5.637 1.00 0.34 N ATOM 687 CA ASN A 249 -3.366 -8.973 -5.701 1.00 0.40 C ATOM 688 C ASN A 249 -3.160 -9.423 -7.156 1.00 0.35 C ATOM 689 O ASN A 249 -4.043 -9.263 -8.001 1.00 0.35 O ATOM 690 CB ASN A 249 -4.572 -9.694 -5.062 1.00 0.61 C ATOM 691 CG ASN A 249 -5.858 -9.572 -5.865 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.145 -10.392 -6.741 1.00 1.38 O ATOM 693 ND2 ASN A 249 -6.628 -8.535 -5.589 1.00 1.19 N ATOM 0 H ASN A 249 -4.260 -7.211 -4.978 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.474 -9.241 -5.135 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -4.329 -10.750 -4.941 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.738 -9.289 -4.064 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -7.494 -8.391 -6.108 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -6.356 -7.879 -4.857 1.00 1.19 H new ATOM 700 N GLY A 250 -1.911 -9.754 -7.481 1.00 0.35 N ATOM 701 CA GLY A 250 -1.537 -10.049 -8.855 1.00 0.35 C ATOM 702 C GLY A 250 -1.275 -8.815 -9.727 1.00 0.33 C ATOM 703 O GLY A 250 -0.318 -8.802 -10.500 1.00 0.39 O ATOM 0 H GLY A 250 -1.146 -9.823 -6.810 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.641 -10.669 -8.848 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.330 -10.640 -9.314 1.00 0.35 H new ATOM 707 N GLN A 251 -2.160 -7.820 -9.678 1.00 0.30 N ATOM 708 CA GLN A 251 -2.052 -6.655 -10.567 1.00 0.36 C ATOM 709 C GLN A 251 -1.070 -5.617 -10.034 1.00 0.25 C ATOM 710 O GLN A 251 -1.022 -5.350 -8.845 1.00 0.28 O ATOM 711 CB GLN A 251 -3.422 -6.010 -10.781 1.00 0.52 C ATOM 712 CG GLN A 251 -4.340 -6.818 -11.685 1.00 1.28 C ATOM 713 CD GLN A 251 -5.631 -6.090 -12.001 1.00 2.00 C ATOM 714 OE1 GLN A 251 -6.486 -5.904 -11.134 1.00 2.77 O ATOM 715 NE2 GLN A 251 -5.767 -5.645 -13.239 1.00 2.59 N ATOM 0 H GLN A 251 -2.955 -7.793 -9.039 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.671 -7.018 -11.522 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.906 -5.874 -9.814 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.284 -5.018 -11.210 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -3.819 -7.047 -12.615 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -4.571 -7.769 -11.206 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -5.035 -5.820 -13.927 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -6.604 -5.126 -13.505 1.00 2.59 H new ATOM 724 N GLU A 252 -0.293 -5.016 -10.916 1.00 0.26 N ATOM 725 CA GLU A 252 0.679 -4.023 -10.488 1.00 0.25 C ATOM 726 C GLU A 252 0.065 -2.631 -10.370 1.00 0.27 C ATOM 727 O GLU A 252 -0.753 -2.219 -11.193 1.00 0.32 O ATOM 728 CB GLU A 252 1.897 -4.024 -11.402 1.00 0.32 C ATOM 729 CG GLU A 252 2.671 -5.327 -11.325 1.00 0.60 C ATOM 730 CD GLU A 252 4.118 -5.169 -11.734 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.376 -4.729 -12.874 1.00 1.49 O ATOM 732 OE2 GLU A 252 5.006 -5.489 -10.918 1.00 1.60 O ATOM 0 H GLU A 252 -0.313 -5.193 -11.920 1.00 0.26 H new ATOM 0 HA GLU A 252 1.011 -4.303 -9.488 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.578 -3.853 -12.430 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.553 -3.197 -11.131 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.625 -5.713 -10.307 1.00 0.60 H new ATOM 0 HG3 GLU A 252 2.194 -6.067 -11.968 1.00 0.60 H new ATOM 739 N ILE A 253 0.369 -1.982 -9.252 1.00 0.23 N ATOM 740 CA ILE A 253 -0.210 -0.699 -8.898 1.00 0.27 C ATOM 741 C ILE A 253 0.862 0.406 -8.891 1.00 0.28 C ATOM 742 O ILE A 253 1.863 0.333 -8.164 1.00 0.28 O ATOM 743 CB ILE A 253 -0.898 -0.839 -7.514 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.348 -1.286 -7.668 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.809 0.418 -6.674 1.00 0.28 C ATOM 746 CD1 ILE A 253 -3.000 -1.635 -6.347 1.00 0.33 C ATOM 0 H ILE A 253 1.031 -2.338 -8.562 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.952 -0.407 -9.641 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.347 -1.610 -6.976 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.918 -0.492 -8.151 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.388 -2.153 -8.327 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.309 0.254 -5.719 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.238 0.664 -6.498 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.292 1.242 -7.200 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -4.030 -1.946 -6.521 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.450 -2.449 -5.874 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.989 -0.762 -5.694 1.00 0.33 H new ATOM 758 N GLN A 254 0.669 1.418 -9.719 1.00 0.36 N ATOM 759 CA GLN A 254 1.614 2.519 -9.787 1.00 0.43 C ATOM 760 C GLN A 254 1.249 3.586 -8.761 1.00 0.61 C ATOM 761 O GLN A 254 1.160 3.307 -7.565 1.00 1.42 O ATOM 762 CB GLN A 254 1.669 3.127 -11.194 1.00 0.70 C ATOM 763 CG GLN A 254 2.272 2.220 -12.261 1.00 1.00 C ATOM 764 CD GLN A 254 1.278 1.232 -12.837 1.00 1.75 C ATOM 765 OE1 GLN A 254 0.994 0.194 -12.245 1.00 2.63 O ATOM 766 NE2 GLN A 254 0.736 1.561 -13.997 1.00 2.21 N ATOM 0 H GLN A 254 -0.128 1.500 -10.350 1.00 0.36 H new ATOM 0 HA GLN A 254 2.605 2.127 -9.558 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.658 3.398 -11.497 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.247 4.050 -11.153 1.00 0.70 H new ATOM 0 HG2 GLN A 254 2.672 2.835 -13.067 1.00 1.00 H new ATOM 0 HG3 GLN A 254 3.111 1.673 -11.831 1.00 1.00 H new ATOM 0 HE21 GLN A 254 1.001 2.433 -14.454 1.00 2.21 H new ATOM 0 HE22 GLN A 254 0.053 0.942 -14.435 1.00 2.21 H new ATOM 775 N MET A 255 1.011 4.799 -9.236 1.00 0.59 N ATOM 776 CA MET A 255 0.634 5.900 -8.372 1.00 0.61 C ATOM 777 C MET A 255 -0.170 6.921 -9.162 1.00 0.65 C ATOM 778 O MET A 255 0.110 7.172 -10.337 1.00 0.95 O ATOM 779 CB MET A 255 1.880 6.547 -7.756 1.00 0.95 C ATOM 780 CG MET A 255 1.594 7.803 -6.943 1.00 1.58 C ATOM 781 SD MET A 255 1.493 9.296 -7.954 1.00 2.30 S ATOM 782 CE MET A 255 0.945 10.493 -6.740 1.00 2.61 C ATOM 0 H MET A 255 1.074 5.044 -10.224 1.00 0.59 H new ATOM 0 HA MET A 255 0.015 5.520 -7.560 1.00 0.61 H new ATOM 0 HB2 MET A 255 2.375 5.818 -7.115 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.579 6.796 -8.555 1.00 0.95 H new ATOM 0 HG2 MET A 255 0.656 7.673 -6.403 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.377 7.930 -6.195 1.00 1.58 H new ATOM 0 HE1 MET A 255 1.295 11.485 -7.024 1.00 2.61 H new ATOM 0 HE2 MET A 255 -0.144 10.492 -6.694 1.00 2.61 H new ATOM 0 HE3 MET A 255 1.350 10.231 -5.762 1.00 2.61 H new ATOM 792 N SER A 256 -1.197 7.471 -8.537 1.00 0.57 N ATOM 793 CA SER A 256 -2.057 8.434 -9.195 1.00 0.69 C ATOM 794 C SER A 256 -2.645 9.420 -8.190 1.00 1.00 C ATOM 795 O SER A 256 -2.461 9.274 -6.980 1.00 1.47 O ATOM 796 CB SER A 256 -3.176 7.717 -9.952 1.00 0.76 C ATOM 797 OG SER A 256 -2.654 6.842 -10.943 1.00 1.64 O ATOM 0 H SER A 256 -1.454 7.265 -7.572 1.00 0.57 H new ATOM 0 HA SER A 256 -1.453 8.996 -9.908 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.787 7.150 -9.250 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.829 8.453 -10.422 1.00 0.76 H new ATOM 0 HG SER A 256 -3.393 6.397 -11.409 1.00 1.64 H new ATOM 803 N GLY A 257 -3.258 10.476 -8.711 1.00 1.01 N ATOM 804 CA GLY A 257 -3.788 11.533 -7.872 1.00 1.41 C ATOM 805 C GLY A 257 -4.929 11.077 -6.982 1.00 1.28 C ATOM 806 O GLY A 257 -5.060 11.545 -5.851 1.00 1.69 O ATOM 0 H GLY A 257 -3.398 10.619 -9.711 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -2.986 11.929 -7.249 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.134 12.351 -8.504 1.00 1.41 H new ATOM 810 N SER A 258 -5.794 10.219 -7.505 1.00 1.07 N ATOM 811 CA SER A 258 -6.938 9.750 -6.737 1.00 0.96 C ATOM 812 C SER A 258 -6.684 8.348 -6.182 1.00 0.74 C ATOM 813 O SER A 258 -6.697 8.136 -4.972 1.00 1.14 O ATOM 814 CB SER A 258 -8.198 9.763 -7.605 1.00 1.08 C ATOM 815 OG SER A 258 -8.388 11.035 -8.206 1.00 1.77 O ATOM 0 H SER A 258 -5.727 9.837 -8.448 1.00 1.07 H new ATOM 0 HA SER A 258 -7.086 10.425 -5.894 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.119 8.999 -8.379 1.00 1.08 H new ATOM 0 HB3 SER A 258 -9.066 9.511 -6.996 1.00 1.08 H new ATOM 0 HG SER A 258 -9.198 11.019 -8.757 1.00 1.77 H new ATOM 821 N LYS A 259 -6.389 7.405 -7.059 1.00 0.51 N ATOM 822 CA LYS A 259 -6.077 6.048 -6.630 1.00 0.37 C ATOM 823 C LYS A 259 -4.571 5.873 -6.525 1.00 0.33 C ATOM 824 O LYS A 259 -3.837 6.453 -7.319 1.00 0.45 O ATOM 825 CB LYS A 259 -6.661 5.010 -7.602 1.00 0.48 C ATOM 826 CG LYS A 259 -8.181 5.053 -7.728 1.00 1.11 C ATOM 827 CD LYS A 259 -8.641 6.096 -8.738 1.00 1.59 C ATOM 828 CE LYS A 259 -8.252 5.713 -10.162 1.00 2.02 C ATOM 829 NZ LYS A 259 -8.961 4.491 -10.629 1.00 2.41 N ATOM 0 H LYS A 259 -6.358 7.550 -8.068 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.530 5.887 -5.652 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.222 5.165 -8.588 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.363 4.014 -7.274 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.548 4.071 -8.028 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.619 5.273 -6.755 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -9.723 6.211 -8.675 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -8.203 7.062 -8.488 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -8.478 6.541 -10.834 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -7.176 5.548 -10.211 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -8.841 4.392 -11.657 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -8.565 3.656 -10.152 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -9.973 4.570 -10.404 1.00 2.41 H new ATOM 843 N TYR A 260 -4.115 5.036 -5.586 1.00 0.24 N ATOM 844 CA TYR A 260 -2.686 4.744 -5.445 1.00 0.27 C ATOM 845 C TYR A 260 -1.883 6.028 -5.202 1.00 0.27 C ATOM 846 O TYR A 260 -0.911 6.308 -5.897 1.00 0.29 O ATOM 847 CB TYR A 260 -2.154 4.019 -6.691 1.00 0.33 C ATOM 848 CG TYR A 260 -3.159 3.090 -7.345 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.825 2.114 -6.613 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.455 3.208 -8.697 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.755 1.282 -7.210 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.385 2.383 -9.299 1.00 1.11 C ATOM 853 CZ TYR A 260 -5.030 1.421 -8.553 1.00 0.95 C ATOM 854 OH TYR A 260 -5.961 0.599 -9.151 1.00 1.24 O ATOM 0 H TYR A 260 -4.712 4.552 -4.916 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.564 4.092 -4.580 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.834 4.762 -7.421 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.271 3.444 -6.414 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.613 2.003 -5.560 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.949 3.958 -9.288 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.263 0.528 -6.627 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.606 2.492 -10.351 1.00 1.11 H new ATOM 0 HH TYR A 260 -6.038 0.828 -10.101 1.00 1.24 H new ATOM 864 N ILE A 261 -2.295 6.794 -4.207 1.00 0.26 N ATOM 865 CA ILE A 261 -1.623 8.036 -3.840 1.00 0.27 C ATOM 866 C ILE A 261 -0.443 7.747 -2.910 1.00 0.28 C ATOM 867 O ILE A 261 -0.644 7.219 -1.828 1.00 0.35 O ATOM 868 CB ILE A 261 -2.602 8.954 -3.075 1.00 0.29 C ATOM 869 CG1 ILE A 261 -3.902 9.165 -3.857 1.00 0.32 C ATOM 870 CG2 ILE A 261 -1.953 10.282 -2.750 1.00 0.33 C ATOM 871 CD1 ILE A 261 -4.931 9.972 -3.093 1.00 0.39 C ATOM 0 H ILE A 261 -3.106 6.575 -3.628 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.276 8.515 -4.755 1.00 0.27 H new ATOM 0 HB ILE A 261 -2.855 8.456 -2.139 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.676 9.671 -4.796 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.327 8.194 -4.112 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.662 10.911 -2.211 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.072 10.115 -2.130 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.657 10.778 -3.674 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.828 10.086 -3.701 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.183 9.456 -2.167 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.523 10.956 -2.861 1.00 0.39 H new ATOM 883 N PHE A 262 0.766 8.180 -3.237 1.00 0.30 N ATOM 884 CA PHE A 262 1.855 7.998 -2.284 1.00 0.32 C ATOM 885 C PHE A 262 2.012 9.216 -1.370 1.00 0.30 C ATOM 886 O PHE A 262 1.821 10.361 -1.790 1.00 0.37 O ATOM 887 CB PHE A 262 3.194 7.598 -2.947 1.00 0.46 C ATOM 888 CG PHE A 262 3.734 8.501 -4.037 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.619 9.881 -3.971 1.00 0.87 C ATOM 890 CD2 PHE A 262 4.398 7.947 -5.120 1.00 0.84 C ATOM 891 CE1 PHE A 262 4.151 10.686 -4.960 1.00 1.13 C ATOM 892 CE2 PHE A 262 4.929 8.747 -6.115 1.00 1.09 C ATOM 893 CZ PHE A 262 4.802 10.117 -6.036 1.00 1.18 C ATOM 0 H PHE A 262 1.014 8.640 -4.113 1.00 0.30 H new ATOM 0 HA PHE A 262 1.571 7.149 -1.662 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.949 7.528 -2.164 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.076 6.599 -3.366 1.00 0.46 H new ATOM 0 HD1 PHE A 262 3.106 10.333 -3.135 1.00 0.87 H new ATOM 0 HD2 PHE A 262 4.502 6.874 -5.188 1.00 0.84 H new ATOM 0 HE1 PHE A 262 4.058 11.760 -4.891 1.00 1.13 H new ATOM 0 HE2 PHE A 262 5.442 8.299 -6.953 1.00 1.09 H new ATOM 0 HZ PHE A 262 5.211 10.744 -6.814 1.00 1.18 H new ATOM 903 N GLU A 263 2.250 8.942 -0.095 1.00 0.26 N ATOM 904 CA GLU A 263 2.387 9.981 0.915 1.00 0.30 C ATOM 905 C GLU A 263 3.545 9.646 1.847 1.00 0.28 C ATOM 906 O GLU A 263 3.667 8.509 2.323 1.00 0.33 O ATOM 907 CB GLU A 263 1.095 10.131 1.721 1.00 0.37 C ATOM 908 CG GLU A 263 1.212 11.113 2.877 1.00 0.56 C ATOM 909 CD GLU A 263 -0.050 11.201 3.708 1.00 1.07 C ATOM 910 OE1 GLU A 263 -1.074 10.612 3.313 1.00 1.79 O ATOM 911 OE2 GLU A 263 -0.026 11.869 4.765 1.00 1.73 O ATOM 0 H GLU A 263 2.353 7.994 0.268 1.00 0.26 H new ATOM 0 HA GLU A 263 2.589 10.927 0.412 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.297 10.459 1.055 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.804 9.156 2.111 1.00 0.37 H new ATOM 0 HG2 GLU A 263 2.042 10.815 3.517 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.452 12.101 2.484 1.00 0.56 H new ATOM 918 N SER A 264 4.450 10.597 1.997 1.00 0.34 N ATOM 919 CA SER A 264 5.664 10.398 2.768 1.00 0.36 C ATOM 920 C SER A 264 5.497 10.886 4.208 1.00 0.34 C ATOM 921 O SER A 264 5.104 12.034 4.445 1.00 0.39 O ATOM 922 CB SER A 264 6.803 11.147 2.084 1.00 0.46 C ATOM 923 OG SER A 264 6.835 10.850 0.697 1.00 1.41 O ATOM 0 H SER A 264 4.364 11.528 1.588 1.00 0.34 H new ATOM 0 HA SER A 264 5.887 9.332 2.811 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.678 12.220 2.229 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.753 10.872 2.542 1.00 0.46 H new ATOM 0 HG SER A 264 7.571 11.340 0.274 1.00 1.41 H new ATOM 929 N ILE A 265 5.802 10.018 5.168 1.00 0.31 N ATOM 930 CA ILE A 265 5.723 10.374 6.578 1.00 0.34 C ATOM 931 C ILE A 265 6.992 9.933 7.309 1.00 0.38 C ATOM 932 O ILE A 265 7.053 8.820 7.838 1.00 0.42 O ATOM 933 CB ILE A 265 4.500 9.712 7.254 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.215 10.028 6.480 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.379 10.173 8.700 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.000 9.280 6.988 1.00 1.31 C ATOM 0 H ILE A 265 6.107 9.061 4.993 1.00 0.31 H new ATOM 0 HA ILE A 265 5.618 11.457 6.638 1.00 0.34 H new ATOM 0 HB ILE A 265 4.646 8.632 7.245 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.021 11.099 6.536 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.366 9.786 5.428 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.513 9.698 9.162 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.280 9.896 9.247 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.257 11.256 8.728 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.129 9.554 6.393 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.173 8.207 6.906 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.823 9.540 8.032 1.00 1.31 H new ATOM 948 N GLY A 266 7.971 10.829 7.389 1.00 0.48 N ATOM 949 CA GLY A 266 9.206 10.548 8.113 1.00 0.65 C ATOM 950 C GLY A 266 9.790 9.189 7.776 1.00 0.86 C ATOM 951 O GLY A 266 9.845 8.313 8.644 1.00 1.93 O ATOM 0 H GLY A 266 7.933 11.755 6.962 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.940 11.321 7.884 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.013 10.600 9.185 1.00 0.65 H new ATOM 955 N ALA A 267 10.045 8.971 6.485 1.00 0.48 N ATOM 956 CA ALA A 267 10.464 7.672 5.944 1.00 0.39 C ATOM 957 C ALA A 267 9.288 6.734 5.789 1.00 0.30 C ATOM 958 O ALA A 267 9.190 6.022 4.791 1.00 0.32 O ATOM 959 CB ALA A 267 11.516 6.992 6.793 1.00 0.44 C ATOM 0 H ALA A 267 9.966 9.699 5.775 1.00 0.48 H new ATOM 0 HA ALA A 267 10.898 7.890 4.968 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.785 6.037 6.343 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.400 7.627 6.854 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.121 6.822 7.795 1.00 0.44 H new ATOM 965 N LYS A 268 8.414 6.704 6.786 1.00 0.26 N ATOM 966 CA LYS A 268 7.264 5.831 6.734 1.00 0.25 C ATOM 967 C LYS A 268 6.364 6.256 5.591 1.00 0.29 C ATOM 968 O LYS A 268 5.950 7.409 5.495 1.00 0.47 O ATOM 969 CB LYS A 268 6.519 5.821 8.072 1.00 0.28 C ATOM 970 CG LYS A 268 7.292 5.112 9.176 1.00 0.30 C ATOM 971 CD LYS A 268 6.522 5.117 10.487 1.00 0.41 C ATOM 972 CE LYS A 268 7.194 4.252 11.546 1.00 1.20 C ATOM 973 NZ LYS A 268 8.551 4.746 11.906 1.00 2.00 N ATOM 0 H LYS A 268 8.484 7.271 7.631 1.00 0.26 H new ATOM 0 HA LYS A 268 7.595 4.808 6.553 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.318 6.848 8.378 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.553 5.333 7.941 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.496 4.084 8.876 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.256 5.600 9.317 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.438 6.140 10.854 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.508 4.756 10.314 1.00 0.41 H new ATOM 0 HE2 LYS A 268 6.571 4.227 12.440 1.00 1.20 H new ATOM 0 HE3 LYS A 268 7.268 3.228 11.181 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 8.862 4.294 12.790 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 9.219 4.512 11.144 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.522 5.777 12.036 1.00 2.00 H new ATOM 987 N ARG A 269 6.247 5.381 4.619 1.00 0.16 N ATOM 988 CA ARG A 269 5.556 5.707 3.400 1.00 0.16 C ATOM 989 C ARG A 269 4.134 5.191 3.439 1.00 0.18 C ATOM 990 O ARG A 269 3.826 4.243 4.158 1.00 0.17 O ATOM 991 CB ARG A 269 6.308 5.158 2.190 1.00 0.20 C ATOM 992 CG ARG A 269 5.722 5.597 0.872 1.00 0.53 C ATOM 993 CD ARG A 269 5.790 7.110 0.681 1.00 0.79 C ATOM 994 NE ARG A 269 7.131 7.605 0.334 1.00 0.69 N ATOM 995 CZ ARG A 269 8.079 7.954 1.215 1.00 0.97 C ATOM 996 NH1 ARG A 269 7.874 7.848 2.525 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.226 8.450 0.773 1.00 1.17 N ATOM 0 H ARG A 269 6.625 4.434 4.653 1.00 0.16 H new ATOM 0 HA ARG A 269 5.517 6.792 3.306 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.348 5.479 2.242 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.308 4.069 2.235 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.256 5.106 0.058 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.683 5.272 0.813 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.092 7.399 -0.104 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.459 7.598 1.598 1.00 0.79 H new ATOM 0 HE ARG A 269 7.358 7.689 -0.657 1.00 0.69 H new ATOM 0 HH11 ARG A 269 6.983 7.496 2.875 1.00 1.85 H new ATOM 0 HH12 ARG A 269 8.608 8.119 3.180 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.380 8.563 -0.229 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.954 8.719 1.435 1.00 1.17 H new ATOM 1011 N THR A 270 3.241 5.920 2.803 1.00 0.18 N ATOM 1012 CA THR A 270 1.842 5.584 2.846 1.00 0.18 C ATOM 1013 C THR A 270 1.203 5.650 1.462 1.00 0.19 C ATOM 1014 O THR A 270 1.328 6.650 0.756 1.00 0.22 O ATOM 1015 CB THR A 270 1.101 6.528 3.805 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.588 6.352 5.142 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.384 6.271 3.770 1.00 0.24 C ATOM 0 H THR A 270 3.464 6.748 2.251 1.00 0.18 H new ATOM 0 HA THR A 270 1.761 4.558 3.206 1.00 0.18 H new ATOM 0 HB THR A 270 1.285 7.553 3.483 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.034 5.692 5.608 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.887 6.951 4.457 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.758 6.434 2.759 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.582 5.242 4.069 1.00 0.24 H new ATOM 1025 N LEU A 271 0.495 4.588 1.095 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.239 4.558 -0.162 1.00 0.17 C ATOM 1027 C LEU A 271 -1.715 4.854 0.100 1.00 0.16 C ATOM 1028 O LEU A 271 -2.465 3.972 0.492 1.00 0.17 O ATOM 1029 CB LEU A 271 -0.081 3.187 -0.829 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.522 3.066 -2.298 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -2.031 2.902 -2.425 1.00 0.56 C ATOM 1032 CD2 LEU A 271 -0.039 4.263 -3.099 1.00 0.49 C ATOM 0 H LEU A 271 0.414 3.737 1.651 1.00 0.17 H new ATOM 0 HA LEU A 271 0.162 5.318 -0.832 1.00 0.17 H new ATOM 0 HB2 LEU A 271 0.969 2.900 -0.766 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.646 2.460 -0.245 1.00 0.20 H new ATOM 0 HG LEU A 271 -0.064 2.165 -2.706 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.301 2.820 -3.478 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.345 2.000 -1.899 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.529 3.768 -1.989 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.360 4.161 -4.136 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.459 5.176 -2.678 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.049 4.312 -3.059 1.00 0.49 H new ATOM 1044 N THR A 272 -2.140 6.068 -0.170 1.00 0.18 N ATOM 1045 CA THR A 272 -3.535 6.424 -0.017 1.00 0.21 C ATOM 1046 C THR A 272 -4.328 5.961 -1.232 1.00 0.22 C ATOM 1047 O THR A 272 -4.050 6.357 -2.359 1.00 0.29 O ATOM 1048 CB THR A 272 -3.696 7.940 0.164 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.633 8.435 0.987 1.00 0.33 O ATOM 1050 CG2 THR A 272 -5.032 8.263 0.813 1.00 0.30 C ATOM 0 H THR A 272 -1.541 6.826 -0.497 1.00 0.18 H new ATOM 0 HA THR A 272 -3.918 5.927 0.874 1.00 0.21 H new ATOM 0 HB THR A 272 -3.660 8.416 -0.816 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.732 9.403 1.103 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.127 9.342 0.933 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.841 7.895 0.182 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.087 7.783 1.790 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.280 5.087 -1.011 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.074 4.558 -2.096 1.00 0.26 C ATOM 1060 C ILE A 273 -7.528 4.999 -1.936 1.00 0.28 C ATOM 1061 O ILE A 273 -8.139 4.844 -0.860 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.934 3.006 -2.201 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.804 2.569 -3.666 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.090 2.270 -1.538 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -7.037 2.826 -4.511 1.00 0.86 C ATOM 0 H ILE A 273 -5.525 4.726 -0.089 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.701 4.962 -3.037 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.025 2.738 -1.663 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.957 3.090 -4.113 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.575 1.504 -3.695 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -6.943 1.195 -1.640 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.130 2.532 -0.481 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.026 2.555 -2.018 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.856 2.487 -5.531 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.884 2.283 -4.093 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -7.258 3.893 -4.517 1.00 0.86 H new ATOM 1077 N SER A 274 -8.017 5.681 -2.963 1.00 0.33 N ATOM 1078 CA SER A 274 -9.358 6.231 -2.957 1.00 0.39 C ATOM 1079 C SER A 274 -10.303 5.298 -3.696 1.00 0.45 C ATOM 1080 O SER A 274 -9.895 4.650 -4.661 1.00 0.50 O ATOM 1081 CB SER A 274 -9.372 7.615 -3.604 1.00 0.52 C ATOM 1082 OG SER A 274 -8.383 8.449 -3.032 1.00 1.13 O ATOM 0 H SER A 274 -7.494 5.866 -3.819 1.00 0.33 H new ATOM 0 HA SER A 274 -9.691 6.330 -1.924 1.00 0.39 H new ATOM 0 HB2 SER A 274 -9.199 7.522 -4.676 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.354 8.070 -3.478 1.00 0.52 H new ATOM 0 HG SER A 274 -7.658 8.587 -3.677 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.549 5.215 -3.228 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.544 4.328 -3.820 1.00 0.62 C ATOM 1090 C GLN A 275 -12.036 2.894 -3.825 1.00 0.62 C ATOM 1091 O GLN A 275 -11.585 2.374 -4.848 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.923 4.781 -5.232 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.679 6.099 -5.257 1.00 0.90 C ATOM 1094 CD GLN A 275 -15.036 6.033 -4.569 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -15.551 4.832 -4.346 1.00 2.14 O flip ATOM 1096 NE2 GLN A 275 -15.639 7.065 -4.277 1.00 2.27 N flip ATOM 0 H GLN A 275 -11.892 5.757 -2.435 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.446 4.373 -3.210 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -12.017 4.878 -5.830 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.534 4.010 -5.702 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -13.073 6.866 -4.775 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -13.820 6.409 -6.293 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -15.214 7.974 -4.462 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -16.564 7.012 -3.850 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.081 2.274 -2.660 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.588 0.924 -2.483 1.00 0.69 C ATOM 1107 C CYS A 276 -12.344 0.330 -1.323 1.00 0.75 C ATOM 1108 O CYS A 276 -11.772 -0.176 -0.362 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.078 0.944 -2.216 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.294 -0.682 -2.141 1.00 2.00 S ATOM 0 H CYS A 276 -12.461 2.694 -1.811 1.00 0.60 H new ATOM 0 HA CYS A 276 -11.743 0.323 -3.379 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.594 1.528 -2.998 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.898 1.461 -1.274 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.934 -1.434 -1.295 1.00 2.00 H new ATOM 1116 N SER A 277 -13.629 0.617 -1.333 1.00 0.54 N ATOM 1117 CA SER A 277 -14.480 0.316 -0.218 1.00 0.52 C ATOM 1118 C SER A 277 -15.004 -1.123 -0.287 1.00 0.48 C ATOM 1119 O SER A 277 -14.232 -2.060 -0.504 1.00 0.47 O ATOM 1120 CB SER A 277 -15.632 1.320 -0.178 1.00 0.56 C ATOM 1121 OG SER A 277 -16.319 1.364 -1.420 1.00 0.63 O ATOM 0 H SER A 277 -14.105 1.065 -2.116 1.00 0.54 H new ATOM 0 HA SER A 277 -13.900 0.399 0.701 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.328 1.048 0.616 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.246 2.311 0.062 1.00 0.56 H new ATOM 0 HG SER A 277 -17.052 2.013 -1.366 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.309 -1.294 -0.048 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.933 -2.618 0.033 1.00 0.54 C ATOM 1129 C LEU A 278 -16.997 -3.334 -1.319 1.00 0.58 C ATOM 1130 O LEU A 278 -18.086 -3.664 -1.795 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.350 -2.507 0.576 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.479 -1.935 1.979 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -19.862 -2.225 2.508 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.419 -2.504 2.905 1.00 0.79 C ATOM 0 H LEU A 278 -16.960 -0.521 0.094 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.303 -3.204 0.702 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.932 -1.885 -0.104 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.801 -3.499 0.566 1.00 0.63 H new ATOM 0 HG LEU A 278 -18.326 -0.857 1.936 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -19.960 -1.817 3.514 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -20.605 -1.765 1.856 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -20.022 -3.303 2.537 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.538 -2.076 3.900 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -17.528 -3.587 2.961 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -16.429 -2.258 2.520 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.850 -3.567 -1.935 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.797 -4.246 -3.226 1.00 0.61 C ATOM 1148 C ALA A 279 -14.361 -4.562 -3.601 1.00 0.58 C ATOM 1149 O ALA A 279 -14.045 -5.665 -4.052 1.00 0.62 O ATOM 1150 CB ALA A 279 -16.435 -3.386 -4.310 1.00 0.71 C ATOM 0 H ALA A 279 -14.939 -3.297 -1.564 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.355 -5.179 -3.142 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -16.386 -3.909 -5.265 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.477 -3.193 -4.055 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.899 -2.440 -4.386 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.505 -3.566 -3.443 1.00 0.56 N ATOM 1157 CA ASP A 280 -12.103 -3.677 -3.821 1.00 0.59 C ATOM 1158 C ASP A 280 -11.320 -4.528 -2.820 1.00 0.50 C ATOM 1159 O ASP A 280 -10.177 -4.909 -3.078 1.00 0.70 O ATOM 1160 CB ASP A 280 -11.505 -2.281 -3.950 1.00 0.70 C ATOM 1161 CG ASP A 280 -12.130 -1.494 -5.091 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -11.834 -1.797 -6.269 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -12.957 -0.592 -4.818 1.00 1.84 O ATOM 0 H ASP A 280 -13.760 -2.660 -3.050 1.00 0.56 H new ATOM 0 HA ASP A 280 -12.035 -4.183 -4.784 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.647 -1.738 -3.015 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -10.430 -2.361 -4.112 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.999 -4.886 -1.725 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.487 -5.809 -0.707 1.00 0.33 C ATOM 1170 C ASP A 281 -10.772 -6.999 -1.348 1.00 0.34 C ATOM 1171 O ASP A 281 -11.348 -7.702 -2.183 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.672 -6.301 0.137 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.362 -7.537 0.964 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.646 -7.424 1.973 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -12.854 -8.630 0.609 1.00 0.81 O ATOM 0 H ASP A 281 -12.935 -4.537 -1.518 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.762 -5.288 -0.081 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -12.990 -5.499 0.804 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.512 -6.518 -0.523 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.504 -7.186 -0.983 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.667 -8.233 -1.564 1.00 0.37 C ATOM 1182 C ALA A 282 -7.289 -8.240 -0.906 1.00 0.35 C ATOM 1183 O ALA A 282 -7.175 -8.516 0.284 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.538 -8.047 -3.068 1.00 0.48 C ATOM 0 H ALA A 282 -9.031 -6.619 -0.280 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.145 -9.195 -1.379 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.911 -8.837 -3.480 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.526 -8.092 -3.526 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.085 -7.078 -3.277 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.246 -7.929 -1.676 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.889 -7.844 -1.139 1.00 0.17 C ATOM 1192 C ALA A 283 -4.071 -6.826 -1.928 1.00 0.15 C ATOM 1193 O ALA A 283 -4.110 -6.827 -3.162 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.213 -9.210 -1.159 1.00 0.22 C ATOM 0 H ALA A 283 -6.316 -7.732 -2.674 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.948 -7.512 -0.102 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.204 -9.123 -0.755 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.788 -9.909 -0.552 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.163 -9.576 -2.184 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.302 -5.993 -1.227 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.415 -5.031 -1.890 1.00 0.13 C ATOM 1202 C TYR A 284 -0.978 -5.221 -1.399 1.00 0.14 C ATOM 1203 O TYR A 284 -0.660 -4.935 -0.254 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.847 -3.560 -1.665 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.066 -3.094 -2.463 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.069 -3.998 -2.851 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.219 -1.765 -2.838 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.166 -3.577 -3.579 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.315 -1.344 -3.566 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.296 -2.239 -3.903 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.369 -1.831 -4.662 1.00 0.41 O ATOM 0 H TYR A 284 -3.273 -5.963 -0.208 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.480 -5.228 -2.960 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.056 -3.421 -0.604 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.006 -2.912 -1.912 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.982 -5.039 -2.576 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.465 -1.046 -2.554 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.916 -4.288 -3.892 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.398 -0.311 -3.869 1.00 0.32 H new ATOM 0 HH TYR A 284 -8.059 -1.454 -4.077 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.105 -5.633 -2.300 1.00 0.13 N ATOM 1222 CA GLN A 285 1.308 -5.760 -2.012 1.00 0.13 C ATOM 1223 C GLN A 285 1.989 -4.398 -2.114 1.00 0.12 C ATOM 1224 O GLN A 285 1.414 -3.450 -2.644 1.00 0.13 O ATOM 1225 CB GLN A 285 1.981 -6.735 -2.987 1.00 0.12 C ATOM 1226 CG GLN A 285 1.387 -8.135 -2.998 1.00 0.15 C ATOM 1227 CD GLN A 285 0.178 -8.292 -3.904 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.078 -7.311 -4.753 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.508 -9.309 -3.859 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.359 -5.889 -3.254 1.00 0.13 H new ATOM 0 HA GLN A 285 1.411 -6.148 -0.998 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.920 -6.321 -3.994 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.039 -6.806 -2.736 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.156 -8.841 -3.311 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.102 -8.405 -1.981 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.283 -10.047 -3.192 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.303 -9.416 -4.489 1.00 0.18 H new ATOM 1238 N CYS A 286 3.225 -4.321 -1.656 1.00 0.14 N ATOM 1239 CA CYS A 286 3.998 -3.088 -1.742 1.00 0.19 C ATOM 1240 C CYS A 286 5.285 -3.317 -2.480 1.00 0.19 C ATOM 1241 O CYS A 286 5.793 -4.430 -2.474 1.00 0.20 O ATOM 1242 CB CYS A 286 4.294 -2.564 -0.373 1.00 0.28 C ATOM 1243 SG CYS A 286 5.206 -3.699 0.697 1.00 1.00 S ATOM 0 H CYS A 286 3.720 -5.099 -1.219 1.00 0.14 H new ATOM 0 HA CYS A 286 3.404 -2.355 -2.288 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.865 -1.641 -0.469 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.353 -2.307 0.113 1.00 0.28 H new ATOM 0 HG CYS A 286 6.272 -3.108 1.149 1.00 1.00 H new ATOM 1249 N VAL A 287 5.654 -2.367 -3.329 1.00 0.20 N ATOM 1250 CA VAL A 287 6.689 -2.644 -4.301 1.00 0.21 C ATOM 1251 C VAL A 287 7.612 -1.446 -4.570 1.00 0.22 C ATOM 1252 O VAL A 287 7.191 -0.319 -4.867 1.00 0.24 O ATOM 1253 CB VAL A 287 6.049 -3.200 -5.607 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.571 -3.493 -5.368 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.225 -2.269 -6.799 1.00 0.27 C ATOM 0 H VAL A 287 5.262 -1.426 -3.362 1.00 0.20 H new ATOM 0 HA VAL A 287 7.342 -3.407 -3.876 1.00 0.21 H new ATOM 0 HB VAL A 287 6.574 -4.121 -5.859 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.125 -3.882 -6.283 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.470 -4.232 -4.573 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.060 -2.575 -5.077 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.758 -2.712 -7.679 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.756 -1.309 -6.583 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.288 -2.119 -6.989 1.00 0.27 H new ATOM 1265 N VAL A 288 8.892 -1.737 -4.502 1.00 0.24 N ATOM 1266 CA VAL A 288 9.935 -0.781 -4.816 1.00 0.26 C ATOM 1267 C VAL A 288 11.080 -1.533 -5.484 1.00 0.33 C ATOM 1268 O VAL A 288 11.597 -2.505 -4.924 1.00 0.37 O ATOM 1269 CB VAL A 288 10.461 -0.040 -3.560 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.787 0.634 -3.851 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.464 1.000 -3.084 1.00 0.36 C ATOM 0 H VAL A 288 9.244 -2.653 -4.224 1.00 0.24 H new ATOM 0 HA VAL A 288 9.518 -0.022 -5.478 1.00 0.26 H new ATOM 0 HB VAL A 288 10.600 -0.784 -2.775 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.138 1.148 -2.956 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.519 -0.117 -4.149 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.659 1.356 -4.657 1.00 0.31 H new ATOM 0 HG21 VAL A 288 9.858 1.505 -2.202 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.295 1.731 -3.875 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.522 0.513 -2.833 1.00 0.36 H new ATOM 1281 N GLY A 289 11.378 -1.172 -6.722 1.00 0.43 N ATOM 1282 CA GLY A 289 12.373 -1.895 -7.487 1.00 0.57 C ATOM 1283 C GLY A 289 11.921 -3.303 -7.832 1.00 0.73 C ATOM 1284 O GLY A 289 12.693 -4.259 -7.717 1.00 1.51 O ATOM 0 H GLY A 289 10.947 -0.388 -7.213 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.589 -1.350 -8.406 1.00 0.57 H new ATOM 0 HA3 GLY A 289 13.302 -1.943 -6.918 1.00 0.57 H new ATOM 1288 N GLY A 290 10.658 -3.436 -8.220 1.00 0.41 N ATOM 1289 CA GLY A 290 10.111 -4.735 -8.578 1.00 0.41 C ATOM 1290 C GLY A 290 9.679 -5.557 -7.374 1.00 0.37 C ATOM 1291 O GLY A 290 8.732 -6.338 -7.457 1.00 0.64 O ATOM 0 H GLY A 290 9.997 -2.662 -8.294 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.255 -4.592 -9.238 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.858 -5.294 -9.142 1.00 0.41 H new ATOM 1295 N GLU A 291 10.420 -5.428 -6.279 1.00 0.27 N ATOM 1296 CA GLU A 291 10.169 -6.203 -5.068 1.00 0.22 C ATOM 1297 C GLU A 291 8.786 -5.898 -4.493 1.00 0.16 C ATOM 1298 O GLU A 291 8.494 -4.750 -4.186 1.00 0.19 O ATOM 1299 CB GLU A 291 11.259 -5.874 -4.038 1.00 0.26 C ATOM 1300 CG GLU A 291 12.637 -6.374 -4.444 1.00 0.53 C ATOM 1301 CD GLU A 291 13.709 -6.037 -3.429 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.652 -6.572 -2.303 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.614 -5.240 -3.752 1.00 2.11 O ATOM 0 H GLU A 291 11.209 -4.786 -6.205 1.00 0.27 H new ATOM 0 HA GLU A 291 10.195 -7.265 -5.312 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.299 -4.794 -3.893 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.988 -6.314 -3.078 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.600 -7.455 -4.581 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.906 -5.940 -5.407 1.00 0.53 H new ATOM 1310 N LYS A 292 7.964 -6.938 -4.309 1.00 0.18 N ATOM 1311 CA LYS A 292 6.611 -6.780 -3.761 1.00 0.16 C ATOM 1312 C LYS A 292 6.409 -7.597 -2.479 1.00 0.17 C ATOM 1313 O LYS A 292 6.830 -8.751 -2.384 1.00 0.29 O ATOM 1314 CB LYS A 292 5.557 -7.148 -4.804 1.00 0.18 C ATOM 1315 CG LYS A 292 5.857 -8.411 -5.583 1.00 0.23 C ATOM 1316 CD LYS A 292 4.822 -8.623 -6.667 1.00 0.29 C ATOM 1317 CE LYS A 292 5.259 -9.695 -7.649 1.00 0.49 C ATOM 1318 NZ LYS A 292 4.271 -9.885 -8.744 1.00 1.33 N ATOM 0 H LYS A 292 8.213 -7.902 -4.532 1.00 0.18 H new ATOM 0 HA LYS A 292 6.492 -5.729 -3.499 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.595 -7.264 -4.304 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.454 -6.320 -5.505 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.850 -8.344 -6.028 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.867 -9.267 -4.909 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.872 -8.908 -6.214 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.654 -7.687 -7.199 1.00 0.29 H new ATOM 0 HE2 LYS A 292 6.225 -9.424 -8.075 1.00 0.49 H new ATOM 0 HE3 LYS A 292 5.398 -10.637 -7.119 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 4.609 -10.626 -9.392 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 3.356 -10.169 -8.340 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 4.157 -8.993 -9.267 1.00 1.33 H new ATOM 1332 N CYS A 293 5.762 -6.967 -1.499 1.00 0.16 N ATOM 1333 CA CYS A 293 5.459 -7.583 -0.206 1.00 0.18 C ATOM 1334 C CYS A 293 3.955 -7.578 -0.028 1.00 0.15 C ATOM 1335 O CYS A 293 3.326 -6.536 -0.190 1.00 0.14 O ATOM 1336 CB CYS A 293 6.111 -6.791 0.935 1.00 0.28 C ATOM 1337 SG CYS A 293 5.894 -7.502 2.581 1.00 1.55 S ATOM 0 H CYS A 293 5.430 -6.006 -1.580 1.00 0.16 H new ATOM 0 HA CYS A 293 5.850 -8.600 -0.182 1.00 0.18 H new ATOM 0 HB2 CYS A 293 7.178 -6.703 0.732 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.702 -5.781 0.936 1.00 0.28 H new ATOM 0 HG CYS A 293 6.487 -6.750 3.460 1.00 1.55 H new ATOM 1343 N SER A 294 3.370 -8.748 0.124 1.00 0.17 N ATOM 1344 CA SER A 294 1.924 -8.868 0.090 1.00 0.18 C ATOM 1345 C SER A 294 1.266 -8.528 1.417 1.00 0.17 C ATOM 1346 O SER A 294 1.698 -8.978 2.480 1.00 0.20 O ATOM 1347 CB SER A 294 1.533 -10.279 -0.354 1.00 0.27 C ATOM 1348 OG SER A 294 2.272 -11.262 0.353 1.00 0.61 O ATOM 0 H SER A 294 3.868 -9.626 0.272 1.00 0.17 H new ATOM 0 HA SER A 294 1.558 -8.136 -0.630 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.467 -10.433 -0.188 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.708 -10.388 -1.424 1.00 0.27 H new ATOM 0 HG SER A 294 2.002 -12.154 0.051 1.00 0.61 H new ATOM 1354 N THR A 295 0.158 -7.810 1.324 1.00 0.17 N ATOM 1355 CA THR A 295 -0.659 -7.502 2.473 1.00 0.15 C ATOM 1356 C THR A 295 -2.126 -7.611 2.077 1.00 0.15 C ATOM 1357 O THR A 295 -2.508 -7.224 0.967 1.00 0.15 O ATOM 1358 CB THR A 295 -0.344 -6.092 3.036 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.356 -6.137 4.461 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.339 -5.038 2.564 1.00 0.20 C ATOM 0 H THR A 295 -0.195 -7.427 0.447 1.00 0.17 H new ATOM 0 HA THR A 295 -0.437 -8.216 3.266 1.00 0.15 H new ATOM 0 HB THR A 295 0.640 -5.808 2.664 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.553 -5.245 4.815 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.072 -4.070 2.988 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.316 -4.977 1.476 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.342 -5.312 2.891 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.916 -8.273 2.904 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.307 -8.501 2.569 1.00 0.15 C ATOM 1370 C GLU A 296 -5.124 -7.260 2.883 1.00 0.14 C ATOM 1371 O GLU A 296 -4.883 -6.568 3.875 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.845 -9.731 3.297 1.00 0.18 C ATOM 1373 CG GLU A 296 -3.930 -10.930 3.151 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.538 -12.212 3.679 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -4.859 -12.277 4.885 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -4.701 -13.166 2.891 1.00 0.96 O ATOM 0 H GLU A 296 -2.621 -8.657 3.802 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.389 -8.699 1.500 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.970 -9.499 4.355 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.832 -9.980 2.906 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.679 -11.061 2.098 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -2.997 -10.733 3.679 1.00 0.22 H new ATOM 1383 N LEU A 297 -5.998 -6.910 1.964 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.775 -5.700 2.079 1.00 0.15 C ATOM 1385 C LEU A 297 -8.222 -6.014 2.406 1.00 0.15 C ATOM 1386 O LEU A 297 -8.971 -6.491 1.551 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.698 -4.894 0.785 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.464 -3.574 0.811 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -7.109 -2.798 2.067 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.141 -2.752 -0.420 1.00 0.29 C ATOM 0 H LEU A 297 -6.188 -7.454 1.122 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.357 -5.108 2.893 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.651 -4.687 0.563 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.082 -5.505 -0.032 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.533 -3.787 0.814 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.658 -1.857 2.081 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.375 -3.386 2.945 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -6.038 -2.593 2.078 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.695 -1.814 -0.387 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.072 -2.541 -0.447 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.423 -3.309 -1.314 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.620 -5.621 3.600 1.00 0.14 N ATOM 1403 CA PHE A 298 -9.996 -5.732 4.044 1.00 0.19 C ATOM 1404 C PHE A 298 -10.613 -4.343 4.085 1.00 0.19 C ATOM 1405 O PHE A 298 -9.919 -3.370 4.353 1.00 0.24 O ATOM 1406 CB PHE A 298 -10.078 -6.363 5.440 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.562 -7.774 5.530 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.212 -8.037 5.372 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.426 -8.837 5.747 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.731 -9.331 5.431 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.951 -10.132 5.810 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.614 -10.378 5.742 1.00 0.45 C ATOM 0 H PHE A 298 -7.994 -5.213 4.294 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.537 -6.372 3.347 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.516 -5.741 6.137 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -11.117 -6.350 5.768 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.526 -7.221 5.200 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.483 -8.650 5.868 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.688 -9.535 5.240 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.644 -10.954 5.914 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.234 -11.372 5.926 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.901 -4.238 3.838 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.560 -2.950 3.928 1.00 0.28 C ATOM 1424 C VAL A 299 -13.508 -2.899 5.125 1.00 0.32 C ATOM 1425 O VAL A 299 -14.357 -3.776 5.305 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.311 -2.580 2.628 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.200 -3.714 2.151 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -14.116 -1.309 2.829 1.00 0.35 C ATOM 0 H VAL A 299 -12.507 -5.016 3.577 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.775 -2.208 4.072 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.567 -2.404 1.851 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.711 -3.416 1.235 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.591 -4.596 1.956 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.938 -3.946 2.919 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.640 -1.060 1.906 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.842 -1.460 3.628 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.446 -0.492 3.097 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.375 -1.847 5.919 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.240 -1.621 7.056 1.00 0.41 C ATOM 1440 C LYS A 300 -15.343 -0.648 6.673 1.00 0.40 C ATOM 1441 O LYS A 300 -15.069 0.447 6.181 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.431 -1.057 8.226 1.00 0.48 C ATOM 1443 CG LYS A 300 -14.257 -0.778 9.473 1.00 1.17 C ATOM 1444 CD LYS A 300 -14.934 -2.033 9.996 1.00 1.72 C ATOM 1445 CE LYS A 300 -15.937 -1.707 11.091 1.00 2.32 C ATOM 1446 NZ LYS A 300 -17.126 -0.987 10.564 1.00 3.03 N ATOM 0 H LYS A 300 -12.663 -1.129 5.789 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.686 -2.568 7.360 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.638 -1.761 8.478 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -12.948 -0.133 7.908 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -13.614 -0.362 10.249 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -15.012 -0.025 9.247 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -15.440 -2.543 9.177 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -14.181 -2.720 10.383 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -16.257 -2.630 11.575 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -15.454 -1.098 11.855 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -17.726 -0.680 11.356 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -16.816 -0.155 10.022 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -17.669 -1.621 9.944 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.578 -1.037 6.928 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.720 -0.179 6.652 1.00 0.57 C ATOM 1462 C GLU A 301 -17.718 1.012 7.606 1.00 0.65 C ATOM 1463 O GLU A 301 -16.981 0.961 8.619 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.027 -0.954 6.814 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.177 -2.091 5.826 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.360 -2.993 6.126 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.156 -2.652 7.025 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -20.507 -4.045 5.470 1.00 1.21 O ATOM 1469 OXT GLU A 301 -18.462 1.980 7.356 1.00 1.20 O ATOM 0 H GLU A 301 -16.819 -1.944 7.327 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.643 0.174 5.624 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.081 -1.353 7.827 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -19.865 -0.267 6.697 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.288 -1.679 4.823 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.265 -2.687 5.827 1.00 0.66 H new