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 245 LYS NZ :NH3+ -164:sc= 0.575 (180deg=-0.0523) USER MOD Set 1.2: A 254 GLN : amide:sc= 0.563 K(o=1.1,f=-7.4!) USER MOD Set 2.1: A 248 LYS NZ :NH3+ -122:sc= 1.13 (180deg=-0.116) USER MOD Set 2.2: A 251 GLN : amide:sc= 0.636 K(o=1.8,f=-10!) USER MOD Set 3.1: A 234 THR OG1 : rot 180:sc= 0.622 USER MOD Set 3.2: A 270 THR OG1 : rot -98:sc= 0.678 USER MOD Set 4.1: A 218 LYS NZ :NH3+ 152:sc= -0.121 (180deg=-2.6!) USER MOD Set 4.2: A 223 TYR OH : rot 180:sc= 0.163 USER MOD Set 5.1: A 216 GLN :FLIP amide:sc= 0 X(o=0.2,f=0.41) USER MOD Set 5.2: A 240 HIS :FLIP no HE2:sc= 0.408 F(o=-2.5!,f=0.41) USER MOD Single : A 217 LYS NZ :NH3+ -161:sc= -0.075 (180deg=-0.386) 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+ 137:sc= 0.656 (180deg=-0.327) USER MOD Single : A 229 HIS : no HD1:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 230 LYS NZ :NH3+ 163:sc= 0.0711 (180deg=-0.0268) USER MOD Single : A 249 ASN : amide:sc= -2.3 X(o=-2.3,f=-2) USER MOD Single : A 255 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 256 SER OG : rot 180:sc= -0.228 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ 153:sc= -1.25! (180deg=-2.8!) USER MOD Single : A 272 THR OG1 : rot 180:sc=-0.00796 USER MOD Single : A 274 SER OG : rot 170:sc= -0.106 USER MOD Single : A 275 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 276 CYS SG : rot -1:sc= -3.22! USER MOD Single : A 277 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 284 TYR OH : rot 180:sc= 0 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.7! C(o=-16!,f=-12!) USER MOD Single : A 286 CYS SG : rot 116:sc= -6.51! USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 293 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 SER OG : rot 180:sc= 0.00249 USER MOD Single : A 295 THR OG1 : rot -158:sc= -2.74! USER MOD Single : A 300 LYS NZ :NH3+ 169:sc= -0.0056 (180deg=-0.163) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 12.324 -3.566 0.576 1.00 0.50 N ATOM 98 CA ALA A 214 12.894 -2.310 1.042 1.00 0.39 C ATOM 99 C ALA A 214 11.876 -1.496 1.827 1.00 0.25 C ATOM 100 O ALA A 214 12.092 -0.314 2.094 1.00 0.27 O ATOM 101 CB ALA A 214 13.450 -1.484 -0.100 1.00 0.48 C ATOM 0 HA ALA A 214 13.719 -2.569 1.706 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.866 -0.555 0.291 1.00 0.48 H new ATOM 0 HB2 ALA A 214 14.233 -2.046 -0.608 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.652 -1.255 -0.806 1.00 0.48 H new ATOM 107 N PHE A 215 10.880 -2.171 2.369 1.00 0.25 N ATOM 108 CA PHE A 215 10.026 -1.558 3.353 1.00 0.18 C ATOM 109 C PHE A 215 10.466 -2.090 4.694 1.00 0.21 C ATOM 110 O PHE A 215 10.230 -3.259 5.010 1.00 0.28 O ATOM 111 CB PHE A 215 8.531 -1.866 3.121 1.00 0.20 C ATOM 112 CG PHE A 215 7.991 -1.418 1.774 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.534 -1.898 0.590 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.941 -0.527 1.686 1.00 0.26 C ATOM 115 CE1 PHE A 215 8.040 -1.500 -0.635 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.443 -0.124 0.462 1.00 0.31 C ATOM 117 CZ PHE A 215 7.009 -0.576 -0.694 1.00 0.35 C ATOM 0 H PHE A 215 10.648 -3.138 2.142 1.00 0.25 H new ATOM 0 HA PHE A 215 10.119 -0.474 3.292 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.376 -2.940 3.220 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.949 -1.386 3.908 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.358 -2.595 0.629 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.500 -0.137 2.591 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.455 -1.907 -1.545 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.602 0.552 0.420 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.656 -0.216 -1.649 1.00 0.35 H new ATOM 127 N GLN A 216 11.177 -1.247 5.430 1.00 0.18 N ATOM 128 CA GLN A 216 11.694 -1.575 6.748 1.00 0.21 C ATOM 129 C GLN A 216 10.643 -2.331 7.528 1.00 0.24 C ATOM 130 O GLN A 216 10.808 -3.504 7.855 1.00 0.31 O ATOM 131 CB GLN A 216 12.020 -0.279 7.468 1.00 0.20 C ATOM 132 CG GLN A 216 13.354 -0.287 8.188 1.00 0.25 C ATOM 133 CD GLN A 216 13.517 0.909 9.099 1.00 0.30 C ATOM 134 OE1 GLN A 216 14.407 1.812 8.739 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 12.837 1.022 10.115 1.00 0.79 N flip ATOM 0 H GLN A 216 11.413 -0.304 5.123 1.00 0.18 H new ATOM 0 HA GLN A 216 12.587 -2.194 6.659 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.015 0.537 6.745 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.231 -0.069 8.190 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.444 -1.202 8.773 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.161 -0.296 7.455 1.00 0.25 H new ATOM 0 HE21 GLN A 216 12.159 0.300 10.358 1.00 0.79 H new ATOM 0 HE22 GLN A 216 12.950 1.838 10.716 1.00 0.79 H new ATOM 144 N LYS A 217 9.472 -1.732 7.574 1.00 0.20 N ATOM 145 CA LYS A 217 8.298 -2.415 8.037 1.00 0.22 C ATOM 146 C LYS A 217 7.125 -2.137 7.102 1.00 0.17 C ATOM 147 O LYS A 217 6.640 -1.012 7.032 1.00 0.17 O ATOM 148 CB LYS A 217 7.970 -1.964 9.459 1.00 0.28 C ATOM 149 CG LYS A 217 6.592 -2.382 9.929 1.00 0.36 C ATOM 150 CD LYS A 217 6.297 -1.861 11.326 1.00 0.59 C ATOM 151 CE LYS A 217 7.063 -2.632 12.388 1.00 1.26 C ATOM 152 NZ LYS A 217 6.621 -4.049 12.468 1.00 1.85 N ATOM 0 H LYS A 217 9.314 -0.764 7.292 1.00 0.20 H new ATOM 0 HA LYS A 217 8.484 -3.489 8.042 1.00 0.22 H new ATOM 0 HB2 LYS A 217 8.716 -2.372 10.141 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.049 -0.878 9.513 1.00 0.28 H new ATOM 0 HG2 LYS A 217 5.840 -2.008 9.234 1.00 0.36 H new ATOM 0 HG3 LYS A 217 6.519 -3.470 9.922 1.00 0.36 H new ATOM 0 HD2 LYS A 217 6.560 -0.805 11.383 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.228 -1.935 11.523 1.00 0.59 H new ATOM 0 HE2 LYS A 217 8.129 -2.596 12.165 1.00 1.26 H new ATOM 0 HE3 LYS A 217 6.923 -2.152 13.357 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 6.912 -4.452 13.382 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 5.586 -4.095 12.383 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 7.056 -4.593 11.696 1.00 1.85 H new ATOM 166 N LYS A 218 6.529 -3.196 6.586 1.00 0.19 N ATOM 167 CA LYS A 218 5.248 -3.081 5.924 1.00 0.20 C ATOM 168 C LYS A 218 4.182 -3.344 6.969 1.00 0.18 C ATOM 169 O LYS A 218 4.385 -4.182 7.855 1.00 0.20 O ATOM 170 CB LYS A 218 5.110 -4.067 4.742 1.00 0.31 C ATOM 171 CG LYS A 218 3.755 -3.996 4.053 1.00 0.39 C ATOM 172 CD LYS A 218 3.686 -4.933 2.867 1.00 0.96 C ATOM 173 CE LYS A 218 2.372 -4.782 2.131 1.00 1.56 C ATOM 174 NZ LYS A 218 1.971 -3.355 1.986 1.00 2.42 N ATOM 0 H LYS A 218 6.912 -4.141 6.613 1.00 0.19 H new ATOM 0 HA LYS A 218 5.144 -2.084 5.496 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.892 -3.860 4.012 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.273 -5.082 5.104 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.970 -4.250 4.765 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.567 -2.975 3.722 1.00 0.39 H new ATOM 0 HD2 LYS A 218 4.513 -4.727 2.188 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.801 -5.963 3.206 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.456 -5.237 1.144 1.00 1.56 H new ATOM 0 HE3 LYS A 218 1.593 -5.324 2.667 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 1.388 -3.243 1.132 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 1.423 -3.062 2.820 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 2.821 -2.762 1.904 1.00 2.42 H new ATOM 188 N LEU A 219 3.116 -2.562 6.948 1.00 0.16 N ATOM 189 CA LEU A 219 2.060 -2.702 7.935 1.00 0.16 C ATOM 190 C LEU A 219 1.458 -4.109 7.878 1.00 0.16 C ATOM 191 O LEU A 219 1.741 -4.874 6.950 1.00 0.17 O ATOM 192 CB LEU A 219 0.978 -1.638 7.743 1.00 0.20 C ATOM 193 CG LEU A 219 0.857 -0.612 8.878 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.401 -1.285 10.164 1.00 1.20 C ATOM 195 CD2 LEU A 219 2.178 0.111 9.098 1.00 1.62 C ATOM 0 H LEU A 219 2.959 -1.825 6.260 1.00 0.16 H new ATOM 0 HA LEU A 219 2.497 -2.553 8.922 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.177 -1.105 6.813 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.017 -2.138 7.624 1.00 0.20 H new ATOM 0 HG LEU A 219 0.107 0.124 8.588 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.322 -0.540 10.956 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.571 -1.751 10.006 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.126 -2.046 10.453 1.00 1.20 H new ATOM 0 HD21 LEU A 219 2.067 0.833 9.907 1.00 1.62 H new ATOM 0 HD22 LEU A 219 2.950 -0.613 9.360 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.465 0.631 8.184 1.00 1.62 H new ATOM 207 N GLU A 220 0.717 -4.468 8.920 1.00 0.17 N ATOM 208 CA GLU A 220 0.149 -5.809 9.069 1.00 0.20 C ATOM 209 C GLU A 220 -0.523 -6.289 7.785 1.00 0.19 C ATOM 210 O GLU A 220 -1.145 -5.500 7.080 1.00 0.19 O ATOM 211 CB GLU A 220 -0.871 -5.797 10.209 1.00 0.23 C ATOM 212 CG GLU A 220 -1.936 -4.716 10.057 1.00 0.24 C ATOM 213 CD GLU A 220 -2.847 -4.615 11.261 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.660 -5.388 12.224 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.746 -3.743 11.260 1.00 1.12 O ATOM 0 H GLU A 220 0.491 -3.838 9.689 1.00 0.17 H new ATOM 0 HA GLU A 220 0.963 -6.499 9.293 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.357 -6.771 10.262 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.347 -5.651 11.154 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.450 -3.754 9.894 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.535 -4.925 9.171 1.00 0.24 H new ATOM 222 N PRO A 221 -0.345 -7.586 7.442 1.00 0.22 N ATOM 223 CA PRO A 221 -0.872 -8.191 6.199 1.00 0.23 C ATOM 224 C PRO A 221 -2.397 -8.211 6.110 1.00 0.20 C ATOM 225 O PRO A 221 -2.962 -9.051 5.417 1.00 0.19 O ATOM 226 CB PRO A 221 -0.333 -9.625 6.235 1.00 0.29 C ATOM 227 CG PRO A 221 0.820 -9.577 7.174 1.00 0.57 C ATOM 228 CD PRO A 221 0.452 -8.555 8.209 1.00 0.26 C ATOM 0 HA PRO A 221 -0.559 -7.610 5.332 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.094 -10.325 6.580 1.00 0.29 H new ATOM 0 HB3 PRO A 221 -0.022 -9.955 5.244 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.996 -10.551 7.630 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.737 -9.298 6.655 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.122 -8.994 9.025 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.334 -8.093 8.652 1.00 0.26 H new ATOM 236 N ALA A 222 -3.026 -7.176 6.630 1.00 0.20 N ATOM 237 CA ALA A 222 -4.448 -6.968 6.466 1.00 0.19 C ATOM 238 C ALA A 222 -4.782 -5.514 6.728 1.00 0.15 C ATOM 239 O ALA A 222 -5.147 -5.134 7.844 1.00 0.17 O ATOM 240 CB ALA A 222 -5.259 -7.865 7.378 1.00 0.24 C ATOM 0 H ALA A 222 -2.562 -6.453 7.180 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.710 -7.227 5.440 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.321 -7.677 7.223 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.039 -8.908 7.152 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -5.001 -7.656 8.416 1.00 0.24 H new ATOM 246 N TYR A 223 -4.684 -4.715 5.685 1.00 0.12 N ATOM 247 CA TYR A 223 -5.016 -3.305 5.770 1.00 0.11 C ATOM 248 C TYR A 223 -6.529 -3.164 5.746 1.00 0.13 C ATOM 249 O TYR A 223 -7.194 -3.828 4.957 1.00 0.17 O ATOM 250 CB TYR A 223 -4.411 -2.534 4.589 1.00 0.12 C ATOM 251 CG TYR A 223 -2.898 -2.378 4.601 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.072 -3.246 5.303 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.297 -1.353 3.884 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.696 -3.095 5.284 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.922 -1.202 3.859 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.129 -2.071 4.557 1.00 0.16 C ATOM 257 OH TYR A 223 1.240 -1.917 4.519 1.00 0.21 O ATOM 0 H TYR A 223 -4.375 -5.020 4.762 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.608 -2.893 6.693 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.697 -3.039 3.666 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.859 -1.541 4.561 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.510 -4.052 5.873 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.915 -0.659 3.334 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.069 -3.778 5.838 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.476 -0.400 3.290 1.00 0.20 H new ATOM 0 HH TYR A 223 1.467 -1.146 3.959 1.00 0.21 H new ATOM 267 N GLN A 224 -7.076 -2.399 6.678 1.00 0.15 N ATOM 268 CA GLN A 224 -8.522 -2.270 6.793 1.00 0.18 C ATOM 269 C GLN A 224 -8.990 -0.890 6.348 1.00 0.17 C ATOM 270 O GLN A 224 -8.760 0.103 7.038 1.00 0.22 O ATOM 271 CB GLN A 224 -8.962 -2.535 8.231 1.00 0.26 C ATOM 272 CG GLN A 224 -8.690 -3.956 8.688 1.00 0.34 C ATOM 273 CD GLN A 224 -8.996 -4.160 10.155 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.362 -3.561 11.020 1.00 1.42 O ATOM 275 NE2 GLN A 224 -9.975 -4.999 10.443 1.00 0.99 N ATOM 0 H GLN A 224 -6.545 -1.861 7.362 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.979 -3.010 6.137 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.446 -1.842 8.895 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.029 -2.329 8.321 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.290 -4.646 8.095 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.645 -4.201 8.501 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.476 -5.475 9.693 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.230 -5.170 11.416 1.00 0.99 H new ATOM 284 N VAL A 225 -9.643 -0.834 5.193 1.00 0.16 N ATOM 285 CA VAL A 225 -10.151 0.422 4.659 1.00 0.18 C ATOM 286 C VAL A 225 -11.285 0.940 5.509 1.00 0.24 C ATOM 287 O VAL A 225 -12.317 0.299 5.579 1.00 0.30 O ATOM 288 CB VAL A 225 -10.731 0.272 3.233 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.939 1.639 2.587 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.868 -0.617 2.362 1.00 0.77 C ATOM 0 H VAL A 225 -9.833 -1.647 4.607 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.297 1.099 4.650 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.702 -0.215 3.325 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.348 1.509 1.585 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.634 2.224 3.189 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.984 2.161 2.525 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.312 -0.695 1.369 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.870 -0.188 2.280 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.801 -1.609 2.809 1.00 0.77 H new ATOM 300 N SER A 226 -11.241 2.204 5.848 1.00 0.26 N ATOM 301 CA SER A 226 -12.459 2.842 6.288 1.00 0.33 C ATOM 302 C SER A 226 -13.234 3.192 5.028 1.00 0.32 C ATOM 303 O SER A 226 -12.747 3.976 4.205 1.00 0.32 O ATOM 304 CB SER A 226 -12.166 4.086 7.112 1.00 0.42 C ATOM 305 OG SER A 226 -13.364 4.674 7.594 1.00 1.20 O ATOM 0 H SER A 226 -10.410 2.795 5.831 1.00 0.26 H new ATOM 0 HA SER A 226 -13.034 2.179 6.935 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.521 3.826 7.952 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.622 4.809 6.504 1.00 0.42 H new ATOM 0 HG SER A 226 -13.148 5.471 8.122 1.00 1.20 H new ATOM 311 N LYS A 227 -14.203 2.342 4.721 1.00 0.34 N ATOM 312 CA LYS A 227 -14.803 2.311 3.396 1.00 0.37 C ATOM 313 C LYS A 227 -15.181 3.690 2.874 1.00 0.42 C ATOM 314 O LYS A 227 -15.928 4.441 3.500 1.00 0.48 O ATOM 315 CB LYS A 227 -16.032 1.400 3.372 1.00 0.44 C ATOM 316 CG LYS A 227 -17.238 1.947 4.112 1.00 0.95 C ATOM 317 CD LYS A 227 -18.533 1.563 3.421 1.00 0.93 C ATOM 318 CE LYS A 227 -19.723 1.739 4.340 1.00 0.96 C ATOM 319 NZ LYS A 227 -19.787 3.104 4.925 1.00 1.54 N ATOM 0 H LYS A 227 -14.591 1.662 5.375 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.035 1.912 2.733 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.311 1.216 2.335 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.763 0.437 3.805 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.243 1.567 5.134 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.166 3.033 4.176 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.667 2.175 2.529 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.477 0.526 3.090 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -20.640 1.540 3.785 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.671 1.004 5.143 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.768 3.447 4.898 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -19.457 3.075 5.911 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -19.181 3.746 4.376 1.00 1.54 H new ATOM 333 N GLY A 228 -14.671 3.993 1.693 1.00 0.46 N ATOM 334 CA GLY A 228 -15.028 5.223 1.017 1.00 0.57 C ATOM 335 C GLY A 228 -14.445 6.454 1.668 1.00 0.57 C ATOM 336 O GLY A 228 -14.629 7.565 1.175 1.00 0.70 O ATOM 0 H GLY A 228 -14.010 3.405 1.185 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.688 5.172 -0.018 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -16.114 5.314 0.992 1.00 0.57 H new ATOM 340 N HIS A 229 -13.644 6.259 2.698 1.00 0.47 N ATOM 341 CA HIS A 229 -12.922 7.366 3.282 1.00 0.53 C ATOM 342 C HIS A 229 -11.629 7.520 2.512 1.00 0.54 C ATOM 343 O HIS A 229 -11.550 8.331 1.590 1.00 1.02 O ATOM 344 CB HIS A 229 -12.658 7.112 4.768 1.00 0.55 C ATOM 345 CG HIS A 229 -12.205 8.327 5.520 1.00 1.32 C ATOM 346 ND1 HIS A 229 -10.934 8.851 5.427 1.00 1.94 N ATOM 347 CD2 HIS A 229 -12.882 9.142 6.360 1.00 2.31 C ATOM 348 CE1 HIS A 229 -10.851 9.933 6.176 1.00 2.66 C ATOM 349 NE2 HIS A 229 -12.018 10.132 6.751 1.00 2.89 N ATOM 0 H HIS A 229 -13.480 5.355 3.141 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.506 8.284 3.218 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.569 6.730 5.229 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.901 6.334 4.865 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -13.912 9.033 6.666 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -9.974 10.551 6.297 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -12.243 10.899 7.385 1.00 2.89 H new ATOM 358 N LYS A 230 -10.740 6.554 2.738 1.00 0.30 N ATOM 359 CA LYS A 230 -9.517 6.352 1.958 1.00 0.28 C ATOM 360 C LYS A 230 -8.529 5.554 2.786 1.00 0.24 C ATOM 361 O LYS A 230 -8.077 6.019 3.832 1.00 0.28 O ATOM 362 CB LYS A 230 -8.857 7.670 1.494 1.00 0.36 C ATOM 363 CG LYS A 230 -8.558 8.675 2.603 1.00 1.00 C ATOM 364 CD LYS A 230 -7.831 9.900 2.064 1.00 1.23 C ATOM 365 CE LYS A 230 -8.632 10.602 0.974 1.00 1.65 C ATOM 366 NZ LYS A 230 -9.912 11.152 1.490 1.00 2.24 N ATOM 0 H LYS A 230 -10.852 5.872 3.488 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.800 5.813 1.054 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -7.925 7.430 0.983 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -9.509 8.145 0.761 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.490 8.983 3.077 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -7.950 8.199 3.373 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -7.640 10.597 2.880 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -6.861 9.601 1.666 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -8.036 11.409 0.549 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -8.839 9.899 0.167 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -10.285 11.853 0.818 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -10.601 10.381 1.603 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -9.748 11.608 2.410 1.00 2.24 H new ATOM 380 N ILE A 231 -8.233 4.332 2.374 1.00 0.20 N ATOM 381 CA ILE A 231 -7.302 3.529 3.151 1.00 0.17 C ATOM 382 C ILE A 231 -5.864 3.812 2.730 1.00 0.16 C ATOM 383 O ILE A 231 -5.527 3.806 1.549 1.00 0.17 O ATOM 384 CB ILE A 231 -7.575 2.013 3.047 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.552 1.252 3.900 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.499 1.552 1.605 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.765 -0.236 3.943 1.00 0.19 C ATOM 0 H ILE A 231 -8.608 3.886 1.537 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.451 3.818 4.191 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.580 1.809 3.416 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.553 1.453 3.513 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.584 1.641 4.918 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.694 0.481 1.555 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.243 2.085 1.013 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.505 1.758 1.209 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.999 -0.695 4.567 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.749 -0.451 4.360 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.702 -0.642 2.933 1.00 0.19 H new ATOM 399 N ARG A 232 -5.033 4.122 3.702 1.00 0.17 N ATOM 400 CA ARG A 232 -3.644 4.441 3.444 1.00 0.17 C ATOM 401 C ARG A 232 -2.771 3.214 3.649 1.00 0.15 C ATOM 402 O ARG A 232 -2.876 2.538 4.675 1.00 0.19 O ATOM 403 CB ARG A 232 -3.195 5.574 4.363 1.00 0.22 C ATOM 404 CG ARG A 232 -3.860 6.904 4.056 1.00 0.34 C ATOM 405 CD ARG A 232 -3.131 8.058 4.724 1.00 0.77 C ATOM 406 NE ARG A 232 -3.178 7.975 6.183 1.00 1.44 N ATOM 407 CZ ARG A 232 -2.499 8.787 6.994 1.00 2.13 C ATOM 408 NH1 ARG A 232 -1.619 9.648 6.497 1.00 2.48 N ATOM 409 NH2 ARG A 232 -2.672 8.712 8.307 1.00 3.14 N ATOM 0 H ARG A 232 -5.298 4.160 4.686 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.542 4.764 2.408 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.409 5.300 5.396 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.114 5.690 4.282 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.881 7.061 2.978 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -4.896 6.881 4.395 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -2.091 8.066 4.396 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -3.574 9.000 4.402 1.00 0.77 H new ATOM 0 HE ARG A 232 -3.764 7.254 6.605 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -1.460 9.691 5.490 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -1.102 10.267 7.122 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -3.325 8.033 8.697 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -2.152 9.334 8.926 1.00 3.14 H new ATOM 423 N LEU A 233 -1.873 2.941 2.706 1.00 0.13 N ATOM 424 CA LEU A 233 -0.965 1.834 2.850 1.00 0.14 C ATOM 425 C LEU A 233 0.328 2.364 3.420 1.00 0.13 C ATOM 426 O LEU A 233 1.163 2.888 2.689 1.00 0.13 O ATOM 427 CB LEU A 233 -0.729 1.155 1.491 1.00 0.15 C ATOM 428 CG LEU A 233 -1.836 0.188 1.024 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.157 0.912 0.805 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.419 -0.532 -0.248 1.00 0.23 C ATOM 0 H LEU A 233 -1.764 3.474 1.843 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.384 1.084 3.520 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.607 1.930 0.735 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.211 0.606 1.539 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.981 -0.547 1.816 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.913 0.199 0.477 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.477 1.376 1.738 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.029 1.681 0.043 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.214 -1.209 -0.560 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.234 0.198 -1.036 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.509 -1.102 -0.062 1.00 0.23 H new ATOM 442 N THR A 234 0.418 2.353 4.738 1.00 0.14 N ATOM 443 CA THR A 234 1.541 2.961 5.422 1.00 0.16 C ATOM 444 C THR A 234 2.618 1.930 5.712 1.00 0.16 C ATOM 445 O THR A 234 2.325 0.767 5.999 1.00 0.22 O ATOM 446 CB THR A 234 1.088 3.651 6.725 1.00 0.22 C ATOM 447 OG1 THR A 234 0.089 4.637 6.418 1.00 0.33 O ATOM 448 CG2 THR A 234 2.259 4.321 7.431 1.00 0.24 C ATOM 0 H THR A 234 -0.275 1.929 5.355 1.00 0.14 H new ATOM 0 HA THR A 234 1.961 3.721 4.764 1.00 0.16 H new ATOM 0 HB THR A 234 0.677 2.892 7.390 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.202 5.076 7.244 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.908 4.798 8.346 1.00 0.24 H new ATOM 0 HG22 THR A 234 3.011 3.572 7.679 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.698 5.073 6.775 1.00 0.24 H new ATOM 456 N VAL A 235 3.855 2.339 5.504 1.00 0.14 N ATOM 457 CA VAL A 235 5.001 1.466 5.653 1.00 0.14 C ATOM 458 C VAL A 235 6.175 2.254 6.196 1.00 0.14 C ATOM 459 O VAL A 235 6.401 3.385 5.789 1.00 0.16 O ATOM 460 CB VAL A 235 5.406 0.840 4.303 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.328 -0.087 3.798 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.656 1.929 3.284 1.00 0.14 C ATOM 0 H VAL A 235 4.093 3.291 5.226 1.00 0.14 H new ATOM 0 HA VAL A 235 4.727 0.668 6.343 1.00 0.14 H new ATOM 0 HB VAL A 235 6.319 0.264 4.453 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.635 -0.517 2.845 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.167 -0.886 4.522 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.402 0.472 3.662 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.942 1.479 2.333 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.748 2.517 3.149 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.459 2.578 3.634 1.00 0.14 H new ATOM 472 N GLU A 236 7.000 1.618 6.991 1.00 0.13 N ATOM 473 CA GLU A 236 8.234 2.233 7.404 1.00 0.13 C ATOM 474 C GLU A 236 9.283 1.788 6.417 1.00 0.13 C ATOM 475 O GLU A 236 9.459 0.595 6.221 1.00 0.17 O ATOM 476 CB GLU A 236 8.592 1.798 8.824 1.00 0.18 C ATOM 477 CG GLU A 236 9.553 2.729 9.540 1.00 0.29 C ATOM 478 CD GLU A 236 9.416 2.628 11.045 1.00 0.54 C ATOM 479 OE1 GLU A 236 8.322 2.909 11.577 1.00 1.05 O ATOM 480 OE2 GLU A 236 10.411 2.281 11.710 1.00 1.18 O ATOM 0 H GLU A 236 6.840 0.681 7.362 1.00 0.13 H new ATOM 0 HA GLU A 236 8.155 3.320 7.417 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.676 1.721 9.409 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.031 0.801 8.786 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.576 2.488 9.251 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.366 3.756 9.226 1.00 0.29 H new ATOM 487 N LEU A 237 9.744 2.704 5.593 1.00 0.13 N ATOM 488 CA LEU A 237 10.585 2.331 4.471 1.00 0.15 C ATOM 489 C LEU A 237 12.013 2.077 4.900 1.00 0.17 C ATOM 490 O LEU A 237 12.543 2.772 5.754 1.00 0.19 O ATOM 491 CB LEU A 237 10.581 3.412 3.400 1.00 0.17 C ATOM 492 CG LEU A 237 9.640 3.170 2.228 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.749 4.319 1.243 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.969 1.854 1.544 1.00 0.55 C ATOM 0 H LEU A 237 9.555 3.703 5.675 1.00 0.13 H new ATOM 0 HA LEU A 237 10.168 1.410 4.064 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.315 4.360 3.867 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.594 3.520 3.013 1.00 0.17 H new ATOM 0 HG LEU A 237 8.617 3.114 2.600 1.00 0.23 H new ATOM 0 HD11 LEU A 237 9.075 4.145 0.404 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.477 5.251 1.739 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.773 4.388 0.877 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.286 1.697 0.709 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.994 1.882 1.175 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.863 1.037 2.257 1.00 0.55 H new ATOM 506 N ALA A 238 12.667 1.195 4.169 1.00 0.19 N ATOM 507 CA ALA A 238 14.101 1.010 4.284 1.00 0.21 C ATOM 508 C ALA A 238 14.786 1.995 3.345 1.00 0.23 C ATOM 509 O ALA A 238 15.881 2.490 3.612 1.00 0.28 O ATOM 510 CB ALA A 238 14.476 -0.418 3.940 1.00 0.25 C ATOM 0 H ALA A 238 12.221 0.588 3.481 1.00 0.19 H new ATOM 0 HA ALA A 238 14.425 1.196 5.308 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.555 -0.543 4.030 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.973 -1.101 4.624 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.170 -0.638 2.917 1.00 0.25 H new ATOM 516 N ASP A 239 14.071 2.324 2.275 1.00 0.22 N ATOM 517 CA ASP A 239 14.522 3.308 1.293 1.00 0.25 C ATOM 518 C ASP A 239 14.483 4.712 1.871 1.00 0.25 C ATOM 519 O ASP A 239 15.384 5.515 1.635 1.00 0.34 O ATOM 520 CB ASP A 239 13.646 3.243 0.047 1.00 0.31 C ATOM 521 CG ASP A 239 14.374 2.613 -1.119 1.00 0.63 C ATOM 522 OD1 ASP A 239 15.215 3.295 -1.736 1.00 1.28 O ATOM 523 OD2 ASP A 239 14.150 1.421 -1.391 1.00 1.19 O ATOM 0 H ASP A 239 13.161 1.916 2.062 1.00 0.22 H new ATOM 0 HA ASP A 239 15.552 3.072 1.026 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.745 2.670 0.266 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.326 4.249 -0.225 1.00 0.31 H new ATOM 528 N HIS A 240 13.422 4.984 2.633 1.00 0.27 N ATOM 529 CA HIS A 240 13.206 6.272 3.310 1.00 0.39 C ATOM 530 C HIS A 240 12.733 7.353 2.346 1.00 0.47 C ATOM 531 O HIS A 240 11.705 7.984 2.576 1.00 0.70 O ATOM 532 CB HIS A 240 14.466 6.768 4.042 1.00 0.46 C ATOM 533 CG HIS A 240 14.994 5.831 5.083 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.652 4.560 5.390 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 16.030 6.156 5.923 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 15.488 4.139 6.395 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 16.309 5.126 6.697 1.00 0.48 N flip ATOM 0 H HIS A 240 12.676 4.309 2.802 1.00 0.27 H new ATOM 0 HA HIS A 240 12.424 6.086 4.047 1.00 0.39 H new ATOM 0 HB2 HIS A 240 15.249 6.950 3.306 1.00 0.46 H new ATOM 0 HB3 HIS A 240 14.243 7.725 4.514 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.909 4.013 4.955 1.00 0.56 H new ATOM 0 HD2 HIS A 240 16.538 7.109 5.946 1.00 0.40 H new ATOM 0 HE1 HIS A 240 15.475 3.164 6.860 1.00 0.57 H new ATOM 546 N ASP A 241 13.495 7.590 1.290 1.00 0.41 N ATOM 547 CA ASP A 241 13.178 8.656 0.350 1.00 0.51 C ATOM 548 C ASP A 241 13.067 8.108 -1.057 1.00 0.44 C ATOM 549 O ASP A 241 13.778 8.526 -1.974 1.00 0.78 O ATOM 550 CB ASP A 241 14.236 9.757 0.405 1.00 0.80 C ATOM 551 CG ASP A 241 13.714 11.090 -0.096 1.00 1.53 C ATOM 552 OD1 ASP A 241 13.244 11.148 -1.251 1.00 2.22 O ATOM 553 OD2 ASP A 241 13.760 12.088 0.654 1.00 2.08 O ATOM 0 H ASP A 241 14.336 7.060 1.062 1.00 0.41 H new ATOM 0 HA ASP A 241 12.217 9.085 0.635 1.00 0.51 H new ATOM 0 HB2 ASP A 241 14.585 9.870 1.431 1.00 0.80 H new ATOM 0 HB3 ASP A 241 15.097 9.459 -0.194 1.00 0.80 H new ATOM 558 N ALA A 242 12.179 7.153 -1.212 1.00 0.33 N ATOM 559 CA ALA A 242 11.938 6.537 -2.499 1.00 0.30 C ATOM 560 C ALA A 242 10.451 6.462 -2.776 1.00 0.24 C ATOM 561 O ALA A 242 9.654 6.235 -1.861 1.00 0.28 O ATOM 562 CB ALA A 242 12.547 5.150 -2.540 1.00 0.38 C ATOM 0 H ALA A 242 11.605 6.782 -0.455 1.00 0.33 H new ATOM 0 HA ALA A 242 12.407 7.149 -3.270 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.358 4.698 -3.514 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.622 5.220 -2.375 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.099 4.533 -1.761 1.00 0.38 H new ATOM 568 N GLU A 243 10.088 6.591 -4.042 1.00 0.26 N ATOM 569 CA GLU A 243 8.703 6.442 -4.444 1.00 0.30 C ATOM 570 C GLU A 243 8.307 4.986 -4.301 1.00 0.25 C ATOM 571 O GLU A 243 8.939 4.104 -4.884 1.00 0.25 O ATOM 572 CB GLU A 243 8.506 6.886 -5.895 1.00 0.39 C ATOM 573 CG GLU A 243 9.025 8.286 -6.177 1.00 0.67 C ATOM 574 CD GLU A 243 8.960 8.655 -7.644 1.00 1.10 C ATOM 575 OE1 GLU A 243 7.843 8.662 -8.210 1.00 1.56 O ATOM 576 OE2 GLU A 243 10.020 8.925 -8.248 1.00 1.64 O ATOM 0 H GLU A 243 10.732 6.798 -4.805 1.00 0.26 H new ATOM 0 HA GLU A 243 8.079 7.069 -3.807 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.011 6.180 -6.554 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.444 6.845 -6.138 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.444 9.006 -5.601 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.057 8.361 -5.834 1.00 0.67 H new ATOM 583 N VAL A 244 7.287 4.725 -3.508 1.00 0.24 N ATOM 584 CA VAL A 244 6.851 3.362 -3.305 1.00 0.21 C ATOM 585 C VAL A 244 5.752 3.010 -4.285 1.00 0.20 C ATOM 586 O VAL A 244 4.737 3.701 -4.381 1.00 0.23 O ATOM 587 CB VAL A 244 6.386 3.091 -1.850 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.587 3.047 -0.921 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.373 4.138 -1.370 1.00 0.27 C ATOM 0 H VAL A 244 6.752 5.430 -3.001 1.00 0.24 H new ATOM 0 HA VAL A 244 7.715 2.722 -3.484 1.00 0.21 H new ATOM 0 HB VAL A 244 5.884 2.124 -1.834 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.252 2.856 0.098 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.262 2.251 -1.236 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.111 4.002 -0.958 1.00 0.24 H new ATOM 0 HG21 VAL A 244 5.073 3.912 -0.347 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.829 5.128 -1.404 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.496 4.120 -2.018 1.00 0.27 H new ATOM 599 N LYS A 245 5.978 1.937 -5.020 1.00 0.18 N ATOM 600 CA LYS A 245 5.006 1.433 -5.965 1.00 0.19 C ATOM 601 C LYS A 245 4.258 0.293 -5.301 1.00 0.15 C ATOM 602 O LYS A 245 4.740 -0.265 -4.319 1.00 0.16 O ATOM 603 CB LYS A 245 5.704 0.968 -7.244 1.00 0.30 C ATOM 604 CG LYS A 245 6.463 2.073 -7.963 1.00 0.89 C ATOM 605 CD LYS A 245 7.179 1.551 -9.200 1.00 1.51 C ATOM 606 CE LYS A 245 6.225 0.856 -10.160 1.00 2.00 C ATOM 607 NZ LYS A 245 5.136 1.756 -10.628 1.00 2.79 N ATOM 0 H LYS A 245 6.840 1.393 -4.977 1.00 0.18 H new ATOM 0 HA LYS A 245 4.303 2.216 -6.247 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.398 0.164 -6.997 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.960 0.550 -7.922 1.00 0.30 H new ATOM 0 HG2 LYS A 245 5.770 2.863 -8.250 1.00 0.89 H new ATOM 0 HG3 LYS A 245 7.189 2.518 -7.283 1.00 0.89 H new ATOM 0 HD2 LYS A 245 7.669 2.379 -9.712 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.962 0.855 -8.899 1.00 1.51 H new ATOM 0 HE2 LYS A 245 6.784 0.488 -11.021 1.00 2.00 H new ATOM 0 HE3 LYS A 245 5.788 -0.013 -9.668 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 4.373 1.188 -11.050 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 4.761 2.295 -9.822 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 5.512 2.414 -11.340 1.00 2.79 H new ATOM 621 N TRP A 246 3.009 0.085 -5.648 1.00 0.14 N ATOM 622 CA TRP A 246 2.222 -0.872 -4.892 1.00 0.13 C ATOM 623 C TRP A 246 1.561 -1.857 -5.828 1.00 0.14 C ATOM 624 O TRP A 246 1.809 -1.825 -7.028 1.00 0.14 O ATOM 625 CB TRP A 246 1.234 -0.172 -3.941 1.00 0.14 C ATOM 626 CG TRP A 246 1.939 0.761 -2.990 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.505 1.958 -3.313 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.199 0.576 -1.581 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.103 2.515 -2.218 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.928 1.699 -1.149 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.891 -0.412 -0.641 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.361 1.859 0.161 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.325 -0.237 0.667 1.00 0.15 C ATOM 634 CH2 TRP A 246 3.048 0.890 1.046 1.00 0.15 C ATOM 0 H TRP A 246 2.526 0.545 -6.420 1.00 0.14 H new ATOM 0 HA TRP A 246 2.887 -1.444 -4.245 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.503 0.388 -4.524 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.683 -0.922 -3.373 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.484 2.404 -4.297 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.602 3.404 -2.206 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.329 -1.290 -0.925 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.928 2.728 0.460 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.096 -0.991 1.405 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.366 0.991 2.073 1.00 0.15 H new ATOM 645 N LEU A 247 1.030 -2.912 -5.276 1.00 0.15 N ATOM 646 CA LEU A 247 0.590 -4.029 -6.085 1.00 0.14 C ATOM 647 C LEU A 247 -0.803 -4.464 -5.642 1.00 0.15 C ATOM 648 O LEU A 247 -0.999 -4.774 -4.491 1.00 0.16 O ATOM 649 CB LEU A 247 1.589 -5.180 -5.893 1.00 0.15 C ATOM 650 CG LEU A 247 2.379 -5.670 -7.111 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.576 -6.679 -7.908 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.816 -4.512 -7.986 1.00 0.17 C ATOM 0 H LEU A 247 0.889 -3.028 -4.273 1.00 0.15 H new ATOM 0 HA LEU A 247 0.546 -3.745 -7.136 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.307 -4.873 -5.133 1.00 0.15 H new ATOM 0 HB3 LEU A 247 1.041 -6.031 -5.488 1.00 0.15 H new ATOM 0 HG LEU A 247 3.278 -6.166 -6.745 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.159 -7.011 -8.767 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.339 -7.536 -7.277 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.651 -6.217 -8.254 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.374 -4.893 -8.841 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.938 -3.970 -8.338 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.451 -3.839 -7.409 1.00 0.17 H new ATOM 664 N LYS A 248 -1.705 -4.680 -6.568 1.00 0.19 N ATOM 665 CA LYS A 248 -2.941 -5.367 -6.231 1.00 0.25 C ATOM 666 C LYS A 248 -2.675 -6.838 -6.475 1.00 0.25 C ATOM 667 O LYS A 248 -1.783 -7.139 -7.263 1.00 0.21 O ATOM 668 CB LYS A 248 -4.107 -4.884 -7.101 1.00 0.34 C ATOM 669 CG LYS A 248 -5.447 -5.504 -6.726 1.00 0.77 C ATOM 670 CD LYS A 248 -6.598 -4.875 -7.499 1.00 0.95 C ATOM 671 CE LYS A 248 -6.613 -5.307 -8.956 1.00 1.57 C ATOM 672 NZ LYS A 248 -6.991 -6.736 -9.114 1.00 2.06 N ATOM 0 H LYS A 248 -1.616 -4.399 -7.544 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.226 -5.170 -5.198 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.183 -3.800 -7.022 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.890 -5.113 -8.144 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.419 -6.576 -6.923 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.618 -5.381 -5.656 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -7.542 -5.151 -7.030 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.520 -3.789 -7.444 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -7.314 -4.684 -9.511 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -5.627 -5.143 -9.392 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -6.231 -7.243 -9.610 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -7.138 -7.162 -8.177 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.870 -6.804 -9.666 1.00 2.06 H new ATOM 686 N ASN A 249 -3.235 -7.736 -5.666 1.00 0.34 N ATOM 687 CA ASN A 249 -2.838 -9.141 -5.760 1.00 0.40 C ATOM 688 C ASN A 249 -2.826 -9.596 -7.223 1.00 0.35 C ATOM 689 O ASN A 249 -3.842 -9.535 -7.915 1.00 0.35 O ATOM 690 CB ASN A 249 -3.704 -10.066 -4.872 1.00 0.61 C ATOM 691 CG ASN A 249 -5.145 -10.262 -5.325 1.00 0.75 C ATOM 692 OD1 ASN A 249 -5.418 -10.833 -6.379 1.00 1.38 O ATOM 693 ND2 ASN A 249 -6.083 -9.838 -4.500 1.00 1.19 N ATOM 0 H ASN A 249 -3.941 -7.528 -4.960 1.00 0.34 H new ATOM 0 HA ASN A 249 -1.823 -9.222 -5.370 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -3.223 -11.043 -4.821 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -3.713 -9.662 -3.860 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -7.067 -9.981 -4.729 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -5.825 -9.367 -3.633 1.00 1.19 H new ATOM 700 N GLY A 250 -1.615 -9.788 -7.743 1.00 0.35 N ATOM 701 CA GLY A 250 -1.432 -10.074 -9.154 1.00 0.35 C ATOM 702 C GLY A 250 -1.246 -8.832 -10.026 1.00 0.33 C ATOM 703 O GLY A 250 -0.361 -8.809 -10.883 1.00 0.39 O ATOM 0 H GLY A 250 -0.750 -9.750 -7.204 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.563 -10.721 -9.272 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.296 -10.632 -9.515 1.00 0.35 H new ATOM 707 N GLN A 251 -2.101 -7.827 -9.867 1.00 0.30 N ATOM 708 CA GLN A 251 -2.038 -6.637 -10.727 1.00 0.36 C ATOM 709 C GLN A 251 -1.100 -5.585 -10.151 1.00 0.25 C ATOM 710 O GLN A 251 -1.189 -5.241 -8.987 1.00 0.28 O ATOM 711 CB GLN A 251 -3.426 -6.025 -10.931 1.00 0.52 C ATOM 712 CG GLN A 251 -4.305 -6.785 -11.912 1.00 1.28 C ATOM 713 CD GLN A 251 -4.660 -8.174 -11.429 1.00 2.00 C ATOM 714 OE1 GLN A 251 -5.242 -8.339 -10.360 1.00 2.77 O ATOM 715 NE2 GLN A 251 -4.312 -9.180 -12.210 1.00 2.59 N ATOM 0 H GLN A 251 -2.838 -7.806 -9.163 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.650 -6.964 -11.692 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -3.934 -5.976 -9.968 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.310 -5.000 -11.283 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -5.221 -6.220 -12.084 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -3.791 -6.859 -12.871 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -3.830 -8.999 -13.090 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -4.526 -10.138 -11.933 1.00 2.59 H new ATOM 724 N GLU A 252 -0.220 -5.045 -10.973 1.00 0.26 N ATOM 725 CA GLU A 252 0.725 -4.048 -10.497 1.00 0.25 C ATOM 726 C GLU A 252 0.074 -2.675 -10.353 1.00 0.27 C ATOM 727 O GLU A 252 -0.787 -2.295 -11.150 1.00 0.32 O ATOM 728 CB GLU A 252 1.951 -4.008 -11.402 1.00 0.32 C ATOM 729 CG GLU A 252 2.706 -5.329 -11.400 1.00 0.60 C ATOM 730 CD GLU A 252 4.063 -5.235 -12.065 1.00 1.05 C ATOM 731 OE1 GLU A 252 4.386 -4.161 -12.612 1.00 1.49 O ATOM 732 OE2 GLU A 252 4.821 -6.227 -12.038 1.00 1.60 O ATOM 0 H GLU A 252 -0.138 -5.275 -11.963 1.00 0.26 H new ATOM 0 HA GLU A 252 1.054 -4.338 -9.499 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.642 -3.769 -12.420 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.617 -3.210 -11.075 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.834 -5.667 -10.372 1.00 0.60 H new ATOM 0 HG3 GLU A 252 2.108 -6.084 -11.911 1.00 0.60 H new ATOM 739 N ILE A 253 0.363 -2.025 -9.230 1.00 0.23 N ATOM 740 CA ILE A 253 -0.299 -0.786 -8.854 1.00 0.27 C ATOM 741 C ILE A 253 0.668 0.411 -8.874 1.00 0.28 C ATOM 742 O ILE A 253 1.662 0.470 -8.124 1.00 0.28 O ATOM 743 CB ILE A 253 -0.971 -0.959 -7.469 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.399 -1.472 -7.631 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.948 0.310 -6.637 1.00 0.28 C ATOM 746 CD1 ILE A 253 -3.065 -1.789 -6.311 1.00 0.33 C ATOM 0 H ILE A 253 1.061 -2.343 -8.558 1.00 0.23 H new ATOM 0 HA ILE A 253 -1.070 -0.566 -9.592 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.383 -1.697 -6.923 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.990 -0.724 -8.160 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.389 -2.368 -8.251 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.433 0.126 -5.679 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.085 0.616 -6.468 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.479 1.102 -7.166 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -4.078 -2.149 -6.492 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.494 -2.558 -5.791 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -3.104 -0.889 -5.698 1.00 0.33 H new ATOM 758 N GLN A 254 0.393 1.334 -9.783 1.00 0.36 N ATOM 759 CA GLN A 254 1.223 2.514 -9.966 1.00 0.43 C ATOM 760 C GLN A 254 0.851 3.606 -8.958 1.00 0.61 C ATOM 761 O GLN A 254 1.153 3.486 -7.770 1.00 1.42 O ATOM 762 CB GLN A 254 1.110 3.030 -11.408 1.00 0.70 C ATOM 763 CG GLN A 254 2.024 2.330 -12.409 1.00 1.00 C ATOM 764 CD GLN A 254 2.089 0.822 -12.236 1.00 1.75 C ATOM 765 OE1 GLN A 254 2.767 0.319 -11.338 1.00 2.63 O ATOM 766 NE2 GLN A 254 1.378 0.096 -13.082 1.00 2.21 N ATOM 0 H GLN A 254 -0.409 1.286 -10.412 1.00 0.36 H new ATOM 0 HA GLN A 254 2.261 2.236 -9.784 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.078 2.918 -11.740 1.00 0.70 H new ATOM 0 HB3 GLN A 254 1.334 4.097 -11.416 1.00 0.70 H new ATOM 0 HG2 GLN A 254 1.680 2.555 -13.419 1.00 1.00 H new ATOM 0 HG3 GLN A 254 3.030 2.740 -12.316 1.00 1.00 H new ATOM 0 HE21 GLN A 254 0.830 0.553 -13.811 1.00 2.21 H new ATOM 0 HE22 GLN A 254 1.377 -0.921 -13.005 1.00 2.21 H new ATOM 775 N MET A 255 0.256 4.691 -9.443 1.00 0.59 N ATOM 776 CA MET A 255 -0.081 5.831 -8.599 1.00 0.61 C ATOM 777 C MET A 255 -1.029 6.758 -9.348 1.00 0.65 C ATOM 778 O MET A 255 -0.987 6.824 -10.579 1.00 0.95 O ATOM 779 CB MET A 255 1.184 6.599 -8.183 1.00 0.95 C ATOM 780 CG MET A 255 1.825 7.414 -9.304 1.00 1.58 C ATOM 781 SD MET A 255 2.469 6.403 -10.655 1.00 2.30 S ATOM 782 CE MET A 255 3.094 7.672 -11.756 1.00 2.61 C ATOM 0 H MET A 255 -0.004 4.804 -10.423 1.00 0.59 H new ATOM 0 HA MET A 255 -0.568 5.463 -7.696 1.00 0.61 H new ATOM 0 HB2 MET A 255 0.933 7.269 -7.361 1.00 0.95 H new ATOM 0 HB3 MET A 255 1.917 5.888 -7.802 1.00 0.95 H new ATOM 0 HG2 MET A 255 1.088 8.111 -9.702 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.637 8.011 -8.889 1.00 1.58 H new ATOM 0 HE1 MET A 255 3.525 7.205 -12.641 1.00 2.61 H new ATOM 0 HE2 MET A 255 2.277 8.330 -12.054 1.00 2.61 H new ATOM 0 HE3 MET A 255 3.860 8.254 -11.243 1.00 2.61 H new ATOM 792 N SER A 256 -1.927 7.416 -8.626 1.00 0.57 N ATOM 793 CA SER A 256 -2.900 8.298 -9.255 1.00 0.69 C ATOM 794 C SER A 256 -3.389 9.378 -8.293 1.00 1.00 C ATOM 795 O SER A 256 -2.811 9.583 -7.222 1.00 1.47 O ATOM 796 CB SER A 256 -4.088 7.490 -9.790 1.00 0.76 C ATOM 797 OG SER A 256 -3.665 6.498 -10.709 1.00 1.64 O ATOM 0 H SER A 256 -2.001 7.356 -7.610 1.00 0.57 H new ATOM 0 HA SER A 256 -2.402 8.795 -10.087 1.00 0.69 H new ATOM 0 HB2 SER A 256 -4.613 7.019 -8.959 1.00 0.76 H new ATOM 0 HB3 SER A 256 -4.797 8.160 -10.276 1.00 0.76 H new ATOM 0 HG SER A 256 -4.444 5.998 -11.032 1.00 1.64 H new ATOM 803 N GLY A 257 -4.390 10.131 -8.738 1.00 1.01 N ATOM 804 CA GLY A 257 -4.887 11.255 -7.971 1.00 1.41 C ATOM 805 C GLY A 257 -5.891 10.857 -6.911 1.00 1.28 C ATOM 806 O GLY A 257 -5.910 11.432 -5.824 1.00 1.69 O ATOM 0 H GLY A 257 -4.869 9.979 -9.626 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -4.047 11.761 -7.495 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -5.349 11.973 -8.649 1.00 1.41 H new ATOM 810 N SER A 258 -6.778 9.936 -7.250 1.00 1.07 N ATOM 811 CA SER A 258 -7.818 9.509 -6.328 1.00 0.96 C ATOM 812 C SER A 258 -7.493 8.131 -5.752 1.00 0.74 C ATOM 813 O SER A 258 -7.420 7.956 -4.539 1.00 1.14 O ATOM 814 CB SER A 258 -9.175 9.500 -7.040 1.00 1.08 C ATOM 815 OG SER A 258 -9.445 10.770 -7.624 1.00 1.77 O ATOM 0 H SER A 258 -6.799 9.470 -8.157 1.00 1.07 H new ATOM 0 HA SER A 258 -7.867 10.214 -5.498 1.00 0.96 H new ATOM 0 HB2 SER A 258 -9.181 8.730 -7.812 1.00 1.08 H new ATOM 0 HB3 SER A 258 -9.962 9.246 -6.330 1.00 1.08 H new ATOM 0 HG SER A 258 -10.314 10.744 -8.075 1.00 1.77 H new ATOM 821 N LYS A 259 -7.169 7.190 -6.623 1.00 0.51 N ATOM 822 CA LYS A 259 -6.719 5.880 -6.179 1.00 0.37 C ATOM 823 C LYS A 259 -5.205 5.814 -6.243 1.00 0.33 C ATOM 824 O LYS A 259 -4.602 6.459 -7.091 1.00 0.45 O ATOM 825 CB LYS A 259 -7.325 4.763 -7.035 1.00 0.48 C ATOM 826 CG LYS A 259 -8.841 4.702 -6.989 1.00 1.11 C ATOM 827 CD LYS A 259 -9.469 5.351 -8.209 1.00 1.59 C ATOM 828 CE LYS A 259 -9.188 4.546 -9.466 1.00 2.02 C ATOM 829 NZ LYS A 259 -9.952 5.051 -10.633 1.00 2.41 N ATOM 0 H LYS A 259 -7.208 7.307 -7.636 1.00 0.51 H new ATOM 0 HA LYS A 259 -7.052 5.735 -5.151 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -7.009 4.900 -8.069 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.923 3.806 -6.702 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -9.161 3.662 -6.925 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -9.198 5.201 -6.088 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -10.546 5.439 -8.064 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -9.080 6.362 -8.327 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -8.121 4.582 -9.688 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -9.442 3.501 -9.291 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -9.731 4.473 -11.469 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -10.971 4.993 -10.432 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -9.691 6.041 -10.817 1.00 2.41 H new ATOM 843 N TYR A 260 -4.597 5.012 -5.369 1.00 0.24 N ATOM 844 CA TYR A 260 -3.144 4.824 -5.377 1.00 0.27 C ATOM 845 C TYR A 260 -2.427 6.163 -5.209 1.00 0.27 C ATOM 846 O TYR A 260 -1.570 6.532 -6.009 1.00 0.29 O ATOM 847 CB TYR A 260 -2.687 4.140 -6.678 1.00 0.33 C ATOM 848 CG TYR A 260 -3.642 3.075 -7.177 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.980 1.990 -6.376 1.00 0.29 C ATOM 850 CD2 TYR A 260 -4.191 3.146 -8.449 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.838 1.007 -6.832 1.00 0.52 C ATOM 852 CE2 TYR A 260 -5.046 2.166 -8.912 1.00 1.11 C ATOM 853 CZ TYR A 260 -5.424 1.142 -8.085 1.00 0.95 C ATOM 854 OH TYR A 260 -6.214 0.116 -8.566 1.00 1.24 O ATOM 0 H TYR A 260 -5.086 4.482 -4.647 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.884 4.179 -4.537 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -2.565 4.897 -7.452 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.708 3.690 -6.516 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.566 1.914 -5.382 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -3.945 3.982 -9.088 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.051 0.143 -6.221 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -5.416 2.207 -9.926 1.00 1.11 H new ATOM 0 HH TYR A 260 -6.555 0.354 -9.453 1.00 1.24 H new ATOM 864 N ILE A 261 -2.815 6.896 -4.186 1.00 0.26 N ATOM 865 CA ILE A 261 -2.240 8.201 -3.911 1.00 0.27 C ATOM 866 C ILE A 261 -0.939 8.047 -3.121 1.00 0.28 C ATOM 867 O ILE A 261 -0.946 7.536 -2.008 1.00 0.35 O ATOM 868 CB ILE A 261 -3.215 9.056 -3.076 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.552 9.233 -3.795 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.603 10.400 -2.738 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.561 10.025 -2.989 1.00 0.39 C ATOM 0 H ILE A 261 -3.535 6.608 -3.523 1.00 0.26 H new ATOM 0 HA ILE A 261 -2.045 8.690 -4.865 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.406 8.525 -2.143 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -4.382 9.736 -4.747 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.968 8.251 -4.023 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.310 10.984 -2.149 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.689 10.249 -2.163 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -2.369 10.935 -3.658 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.488 10.115 -3.555 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.758 9.512 -2.048 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -5.163 11.019 -2.784 1.00 0.39 H new ATOM 883 N PHE A 262 0.162 8.511 -3.674 1.00 0.30 N ATOM 884 CA PHE A 262 1.443 8.424 -2.984 1.00 0.32 C ATOM 885 C PHE A 262 1.533 9.450 -1.850 1.00 0.30 C ATOM 886 O PHE A 262 1.085 10.590 -1.994 1.00 0.37 O ATOM 887 CB PHE A 262 2.597 8.591 -3.980 1.00 0.46 C ATOM 888 CG PHE A 262 2.422 9.732 -4.946 1.00 0.63 C ATOM 889 CD1 PHE A 262 2.612 11.038 -4.526 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.051 9.506 -6.262 1.00 0.84 C ATOM 891 CE1 PHE A 262 2.444 12.092 -5.399 1.00 1.13 C ATOM 892 CE2 PHE A 262 1.882 10.556 -7.140 1.00 1.09 C ATOM 893 CZ PHE A 262 2.118 11.821 -6.751 1.00 1.18 C ATOM 0 H PHE A 262 0.202 8.951 -4.594 1.00 0.30 H new ATOM 0 HA PHE A 262 1.523 7.435 -2.533 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.523 8.740 -3.424 1.00 0.46 H new ATOM 0 HB3 PHE A 262 2.710 7.666 -4.545 1.00 0.46 H new ATOM 0 HD1 PHE A 262 2.895 11.233 -3.502 1.00 0.87 H new ATOM 0 HD2 PHE A 262 1.892 8.494 -6.605 1.00 0.84 H new ATOM 0 HE1 PHE A 262 2.559 13.110 -5.057 1.00 1.13 H new ATOM 0 HE2 PHE A 262 1.557 10.360 -8.151 1.00 1.09 H new ATOM 0 HZ PHE A 262 2.059 12.628 -7.466 1.00 1.18 H new ATOM 903 N GLU A 263 2.048 9.015 -0.704 1.00 0.26 N ATOM 904 CA GLU A 263 2.168 9.879 0.466 1.00 0.30 C ATOM 905 C GLU A 263 3.411 9.496 1.274 1.00 0.28 C ATOM 906 O GLU A 263 3.855 8.339 1.236 1.00 0.33 O ATOM 907 CB GLU A 263 0.910 9.783 1.335 1.00 0.37 C ATOM 908 CG GLU A 263 0.814 10.879 2.383 1.00 0.56 C ATOM 909 CD GLU A 263 -0.477 10.832 3.170 1.00 1.07 C ATOM 910 OE1 GLU A 263 -0.644 9.898 3.984 1.00 1.79 O ATOM 911 OE2 GLU A 263 -1.333 11.716 2.979 1.00 1.73 O ATOM 0 H GLU A 263 2.390 8.065 -0.560 1.00 0.26 H new ATOM 0 HA GLU A 263 2.273 10.911 0.132 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.030 9.827 0.693 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.894 8.813 1.832 1.00 0.37 H new ATOM 0 HG2 GLU A 263 1.656 10.792 3.070 1.00 0.56 H new ATOM 0 HG3 GLU A 263 0.900 11.850 1.895 1.00 0.56 H new ATOM 918 N SER A 264 4.036 10.486 1.903 1.00 0.34 N ATOM 919 CA SER A 264 5.295 10.271 2.598 1.00 0.36 C ATOM 920 C SER A 264 5.298 10.927 3.975 1.00 0.34 C ATOM 921 O SER A 264 5.008 12.118 4.110 1.00 0.39 O ATOM 922 CB SER A 264 6.447 10.840 1.767 1.00 0.46 C ATOM 923 OG SER A 264 7.697 10.616 2.395 1.00 1.41 O ATOM 0 H SER A 264 3.689 11.444 1.944 1.00 0.34 H new ATOM 0 HA SER A 264 5.421 9.197 2.732 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.447 10.380 0.779 1.00 0.46 H new ATOM 0 HB3 SER A 264 6.298 11.910 1.620 1.00 0.46 H new ATOM 0 HG SER A 264 8.413 10.989 1.840 1.00 1.41 H new ATOM 929 N ILE A 265 5.757 10.177 4.967 1.00 0.31 N ATOM 930 CA ILE A 265 6.001 10.719 6.292 1.00 0.34 C ATOM 931 C ILE A 265 7.382 10.265 6.749 1.00 0.38 C ATOM 932 O ILE A 265 7.544 9.137 7.234 1.00 0.42 O ATOM 933 CB ILE A 265 4.948 10.244 7.321 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.534 10.338 6.736 1.00 0.82 C ATOM 935 CG2 ILE A 265 5.049 11.077 8.593 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.466 9.725 7.619 1.00 1.31 C ATOM 0 H ILE A 265 5.969 9.183 4.875 1.00 0.31 H new ATOM 0 HA ILE A 265 5.937 11.806 6.234 1.00 0.34 H new ATOM 0 HB ILE A 265 5.148 9.200 7.563 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.291 11.386 6.563 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.519 9.842 5.765 1.00 0.82 H new ATOM 0 HG21 ILE A 265 4.304 10.736 9.312 1.00 0.73 H new ATOM 0 HG22 ILE A 265 6.045 10.966 9.022 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.871 12.126 8.356 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.493 9.830 7.139 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.683 8.668 7.772 1.00 1.31 H new ATOM 0 HD13 ILE A 265 2.453 10.236 8.582 1.00 1.31 H new ATOM 948 N GLY A 266 8.389 11.085 6.466 1.00 0.48 N ATOM 949 CA GLY A 266 9.761 10.678 6.706 1.00 0.65 C ATOM 950 C GLY A 266 10.145 9.521 5.809 1.00 0.86 C ATOM 951 O GLY A 266 9.926 9.575 4.597 1.00 1.93 O ATOM 0 H GLY A 266 8.280 12.021 6.076 1.00 0.48 H new ATOM 0 HA2 GLY A 266 10.431 11.519 6.528 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.882 10.390 7.750 1.00 0.65 H new ATOM 955 N ALA A 267 10.541 8.413 6.418 1.00 0.48 N ATOM 956 CA ALA A 267 10.711 7.173 5.682 1.00 0.39 C ATOM 957 C ALA A 267 9.368 6.529 5.462 1.00 0.30 C ATOM 958 O ALA A 267 9.189 5.758 4.521 1.00 0.32 O ATOM 959 CB ALA A 267 11.586 6.188 6.421 1.00 0.44 C ATOM 0 H ALA A 267 10.749 8.349 7.414 1.00 0.48 H new ATOM 0 HA ALA A 267 11.190 7.424 4.736 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.685 5.276 5.832 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.572 6.625 6.581 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.134 5.951 7.384 1.00 0.44 H new ATOM 965 N LYS A 268 8.483 6.707 6.435 1.00 0.26 N ATOM 966 CA LYS A 268 7.219 6.008 6.420 1.00 0.25 C ATOM 967 C LYS A 268 6.410 6.429 5.216 1.00 0.29 C ATOM 968 O LYS A 268 6.003 7.581 5.076 1.00 0.47 O ATOM 969 CB LYS A 268 6.458 6.233 7.721 1.00 0.28 C ATOM 970 CG LYS A 268 7.078 5.491 8.895 1.00 0.30 C ATOM 971 CD LYS A 268 6.458 5.895 10.222 1.00 0.41 C ATOM 972 CE LYS A 268 7.051 7.192 10.760 1.00 1.20 C ATOM 973 NZ LYS A 268 6.663 8.378 9.950 1.00 2.00 N ATOM 0 H LYS A 268 8.622 7.325 7.235 1.00 0.26 H new ATOM 0 HA LYS A 268 7.407 4.937 6.341 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.432 7.300 7.943 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.425 5.908 7.595 1.00 0.28 H new ATOM 0 HG2 LYS A 268 6.955 4.418 8.750 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.150 5.688 8.922 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.382 6.013 10.098 1.00 0.41 H new ATOM 0 HD3 LYS A 268 6.609 5.098 10.950 1.00 0.41 H new ATOM 0 HE2 LYS A 268 6.724 7.337 11.790 1.00 1.20 H new ATOM 0 HE3 LYS A 268 8.138 7.110 10.779 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.677 9.228 10.550 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 7.335 8.497 9.165 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 5.706 8.239 9.568 1.00 2.00 H new ATOM 987 N ARG A 269 6.313 5.510 4.285 1.00 0.16 N ATOM 988 CA ARG A 269 5.701 5.773 3.015 1.00 0.16 C ATOM 989 C ARG A 269 4.291 5.231 2.999 1.00 0.18 C ATOM 990 O ARG A 269 3.964 4.317 3.753 1.00 0.17 O ATOM 991 CB ARG A 269 6.547 5.173 1.896 1.00 0.20 C ATOM 992 CG ARG A 269 6.855 6.152 0.779 1.00 0.53 C ATOM 993 CD ARG A 269 7.623 7.358 1.299 1.00 0.79 C ATOM 994 NE ARG A 269 8.239 8.136 0.223 1.00 0.69 N ATOM 995 CZ ARG A 269 7.566 8.776 -0.735 1.00 0.97 C ATOM 996 NH1 ARG A 269 6.239 8.759 -0.756 1.00 1.85 N ATOM 997 NH2 ARG A 269 8.228 9.452 -1.664 1.00 1.17 N ATOM 0 H ARG A 269 6.659 4.557 4.393 1.00 0.16 H new ATOM 0 HA ARG A 269 5.646 6.849 2.852 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.484 4.807 2.316 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.026 4.311 1.480 1.00 0.20 H new ATOM 0 HG2 ARG A 269 7.438 5.653 0.005 1.00 0.53 H new ATOM 0 HG3 ARG A 269 5.926 6.482 0.315 1.00 0.53 H new ATOM 0 HD2 ARG A 269 6.947 7.999 1.865 1.00 0.79 H new ATOM 0 HD3 ARG A 269 8.397 7.022 1.989 1.00 0.79 H new ATOM 0 HE ARG A 269 9.257 8.193 0.204 1.00 0.69 H new ATOM 0 HH11 ARG A 269 5.724 8.253 -0.035 1.00 1.85 H new ATOM 0 HH12 ARG A 269 5.734 9.252 -1.493 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.247 9.481 -1.644 1.00 1.17 H new ATOM 0 HH22 ARG A 269 7.718 9.943 -2.398 1.00 1.17 H new ATOM 1011 N THR A 270 3.410 5.936 2.330 1.00 0.18 N ATOM 1012 CA THR A 270 2.011 5.593 2.382 1.00 0.18 C ATOM 1013 C THR A 270 1.364 5.624 1.008 1.00 0.19 C ATOM 1014 O THR A 270 1.463 6.616 0.281 1.00 0.22 O ATOM 1015 CB THR A 270 1.269 6.545 3.338 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.705 6.314 4.685 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.235 6.365 3.248 1.00 0.24 C ATOM 0 H THR A 270 3.635 6.743 1.749 1.00 0.18 H new ATOM 0 HA THR A 270 1.938 4.571 2.755 1.00 0.18 H new ATOM 0 HB THR A 270 1.503 7.568 3.043 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.060 5.735 5.143 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.726 7.053 3.936 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.566 6.572 2.230 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.495 5.340 3.512 1.00 0.24 H new ATOM 1025 N LEU A 271 0.627 4.570 0.704 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.171 4.534 -0.504 1.00 0.17 C ATOM 1027 C LEU A 271 -1.629 4.788 -0.135 1.00 0.16 C ATOM 1028 O LEU A 271 -2.304 3.903 0.372 1.00 0.17 O ATOM 1029 CB LEU A 271 -0.024 3.176 -1.200 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.549 3.079 -2.641 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -2.055 2.863 -2.675 1.00 0.56 C ATOM 1032 CD2 LEU A 271 -0.166 4.321 -3.433 1.00 0.49 C ATOM 0 H LEU A 271 0.566 3.729 1.278 1.00 0.17 H new ATOM 0 HA LEU A 271 0.172 5.305 -1.194 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.033 2.908 -1.204 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.540 2.428 -0.599 1.00 0.20 H new ATOM 0 HG LEU A 271 -0.082 2.211 -3.106 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.390 2.799 -3.710 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.302 1.937 -2.156 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.554 3.698 -2.183 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.546 4.235 -4.451 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.597 5.203 -2.958 1.00 0.49 H new ATOM 0 HD23 LEU A 271 0.920 4.416 -3.458 1.00 0.49 H new ATOM 1044 N THR A 272 -2.110 5.990 -0.361 1.00 0.18 N ATOM 1045 CA THR A 272 -3.484 6.319 -0.027 1.00 0.21 C ATOM 1046 C THR A 272 -4.435 5.840 -1.121 1.00 0.22 C ATOM 1047 O THR A 272 -4.426 6.342 -2.241 1.00 0.29 O ATOM 1048 CB THR A 272 -3.663 7.833 0.198 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.678 8.314 1.122 1.00 0.33 O ATOM 1050 CG2 THR A 272 -5.050 8.138 0.740 1.00 0.30 C ATOM 0 H THR A 272 -1.576 6.755 -0.773 1.00 0.18 H new ATOM 0 HA THR A 272 -3.725 5.805 0.904 1.00 0.21 H new ATOM 0 HB THR A 272 -3.540 8.334 -0.762 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.799 9.277 1.257 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.153 9.213 0.891 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.802 7.798 0.028 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.191 7.623 1.690 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.264 4.879 -0.780 1.00 0.23 N ATOM 1059 CA ILE A 273 -6.250 4.353 -1.702 1.00 0.26 C ATOM 1060 C ILE A 273 -7.626 4.934 -1.381 1.00 0.28 C ATOM 1061 O ILE A 273 -8.135 4.798 -0.263 1.00 0.27 O ATOM 1062 CB ILE A 273 -6.259 2.795 -1.677 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.635 2.242 -2.959 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.658 2.216 -1.499 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.437 2.566 -4.200 1.00 0.86 C ATOM 0 H ILE A 273 -5.275 4.440 0.141 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.985 4.654 -2.715 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.668 2.492 -0.812 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.629 2.646 -3.069 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.536 1.160 -2.870 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.603 1.127 -1.489 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -8.080 2.567 -0.557 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -8.293 2.539 -2.324 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.940 2.145 -5.074 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.436 2.139 -4.110 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.514 3.648 -4.312 1.00 0.86 H new ATOM 1077 N SER A 274 -8.191 5.638 -2.346 1.00 0.33 N ATOM 1078 CA SER A 274 -9.490 6.253 -2.175 1.00 0.39 C ATOM 1079 C SER A 274 -10.467 5.658 -3.176 1.00 0.45 C ATOM 1080 O SER A 274 -10.046 5.151 -4.213 1.00 0.50 O ATOM 1081 CB SER A 274 -9.400 7.768 -2.353 1.00 0.52 C ATOM 1082 OG SER A 274 -8.303 8.300 -1.629 1.00 1.13 O ATOM 0 H SER A 274 -7.766 5.797 -3.259 1.00 0.33 H new ATOM 0 HA SER A 274 -9.845 6.055 -1.164 1.00 0.39 H new ATOM 0 HB2 SER A 274 -9.293 8.008 -3.411 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.325 8.233 -2.013 1.00 0.52 H new ATOM 0 HG SER A 274 -8.167 9.237 -1.883 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.756 5.674 -2.838 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.790 5.096 -3.695 1.00 0.62 C ATOM 1090 C GLN A 275 -12.516 3.610 -3.908 1.00 0.62 C ATOM 1091 O GLN A 275 -12.379 3.142 -5.040 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.850 5.829 -5.037 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.142 7.312 -4.908 1.00 0.90 C ATOM 1094 CD GLN A 275 -12.994 8.059 -6.219 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -12.702 7.338 -7.293 1.00 2.14 O flip ATOM 1096 NE2 GLN A 275 -13.145 9.279 -6.267 1.00 2.27 N flip ATOM 0 H GLN A 275 -12.110 6.083 -1.973 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.757 5.209 -3.204 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.900 5.698 -5.555 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.618 5.369 -5.658 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -14.156 7.446 -4.532 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.468 7.747 -4.170 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -13.369 9.799 -5.419 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -13.046 9.771 -7.155 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.376 2.897 -2.799 1.00 0.60 N ATOM 1106 CA CYS A 276 -12.043 1.480 -2.809 1.00 0.69 C ATOM 1107 C CYS A 276 -12.565 0.863 -1.534 1.00 0.75 C ATOM 1108 O CYS A 276 -11.809 0.518 -0.629 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.531 1.273 -2.925 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.798 1.926 -4.445 1.00 2.00 S ATOM 0 H CYS A 276 -12.491 3.287 -1.864 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.504 1.001 -3.673 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -10.046 1.745 -2.071 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -10.317 0.206 -2.863 1.00 0.80 H new ATOM 0 HG CYS A 276 -10.730 2.444 -5.189 1.00 2.00 H new ATOM 1116 N SER A 277 -13.870 0.915 -1.403 1.00 0.54 N ATOM 1117 CA SER A 277 -14.528 0.502 -0.195 1.00 0.52 C ATOM 1118 C SER A 277 -14.868 -0.989 -0.251 1.00 0.48 C ATOM 1119 O SER A 277 -14.001 -1.812 -0.548 1.00 0.47 O ATOM 1120 CB SER A 277 -15.787 1.347 0.007 1.00 0.56 C ATOM 1121 OG SER A 277 -16.600 1.341 -1.155 1.00 0.63 O ATOM 0 H SER A 277 -14.501 1.245 -2.133 1.00 0.54 H new ATOM 0 HA SER A 277 -13.860 0.655 0.653 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.355 0.961 0.854 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.505 2.371 0.252 1.00 0.56 H new ATOM 0 HG SER A 277 -17.399 1.887 -0.998 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.128 -1.328 0.033 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.583 -2.716 0.044 1.00 0.54 C ATOM 1129 C LEU A 278 -16.650 -3.297 -1.371 1.00 0.58 C ATOM 1130 O LEU A 278 -17.729 -3.627 -1.865 1.00 0.71 O ATOM 1131 CB LEU A 278 -17.959 -2.837 0.709 1.00 0.63 C ATOM 1132 CG LEU A 278 -17.952 -2.942 2.238 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.241 -4.208 2.685 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.296 -1.726 2.862 1.00 0.79 C ATOM 0 H LEU A 278 -16.856 -0.651 0.260 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.854 -3.285 0.620 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.556 -1.970 0.426 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.461 -3.716 0.305 1.00 0.63 H new ATOM 0 HG LEU A 278 -18.988 -2.985 2.575 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.247 -4.264 3.774 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -17.754 -5.078 2.274 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.211 -4.192 2.328 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.304 -1.825 3.947 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.267 -1.648 2.512 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.845 -0.829 2.576 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.509 -3.345 -2.041 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.438 -3.824 -3.414 1.00 0.61 C ATOM 1148 C ALA A 279 -13.998 -4.128 -3.798 1.00 0.58 C ATOM 1149 O ALA A 279 -13.712 -5.155 -4.413 1.00 0.62 O ATOM 1150 CB ALA A 279 -16.033 -2.800 -4.366 1.00 0.71 C ATOM 0 H ALA A 279 -14.612 -3.055 -1.652 1.00 0.53 H new ATOM 0 HA ALA A 279 -16.018 -4.744 -3.487 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.972 -3.174 -5.388 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -17.077 -2.625 -4.106 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.478 -1.865 -4.288 1.00 0.71 H new ATOM 1156 N ASP A 280 -13.089 -3.232 -3.430 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.668 -3.412 -3.730 1.00 0.59 C ATOM 1158 C ASP A 280 -11.003 -4.259 -2.652 1.00 0.50 C ATOM 1159 O ASP A 280 -9.803 -4.530 -2.705 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.962 -2.061 -3.872 1.00 0.70 C ATOM 1161 CG ASP A 280 -11.448 -1.273 -5.077 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -12.625 -0.848 -5.081 1.00 1.84 O ATOM 1163 OD2 ASP A 280 -10.652 -1.067 -6.020 1.00 1.77 O ATOM 0 H ASP A 280 -13.308 -2.374 -2.924 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.583 -3.935 -4.683 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.124 -1.473 -2.968 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.888 -2.224 -3.958 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.836 -4.754 -1.740 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.422 -5.704 -0.707 1.00 0.33 C ATOM 1170 C ASP A 281 -10.720 -6.903 -1.349 1.00 0.34 C ATOM 1171 O ASP A 281 -11.310 -7.597 -2.180 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.673 -6.158 0.063 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.418 -7.279 1.055 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.745 -7.047 2.074 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -12.919 -8.403 0.827 1.00 0.81 O ATOM 0 H ASP A 281 -12.824 -4.506 -1.695 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.720 -5.232 -0.020 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.088 -5.303 0.596 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.428 -6.485 -0.652 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.426 -7.059 -1.061 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.601 -8.070 -1.728 1.00 0.37 C ATOM 1182 C ALA A 282 -7.223 -8.177 -1.073 1.00 0.35 C ATOM 1183 O ALA A 282 -7.121 -8.485 0.109 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.465 -7.740 -3.211 1.00 0.48 C ATOM 0 H ALA A 282 -8.926 -6.499 -0.371 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.095 -9.036 -1.625 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.850 -8.497 -3.697 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.453 -7.723 -3.672 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -7.995 -6.763 -3.325 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.166 -7.891 -1.836 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.806 -7.880 -1.302 1.00 0.17 C ATOM 1192 C ALA A 283 -3.959 -6.873 -2.061 1.00 0.15 C ATOM 1193 O ALA A 283 -3.931 -6.900 -3.293 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.173 -9.262 -1.384 1.00 0.22 C ATOM 0 H ALA A 283 -6.228 -7.664 -2.828 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.855 -7.592 -0.252 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.162 -9.223 -0.980 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.768 -9.970 -0.807 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.136 -9.584 -2.425 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.246 -6.013 -1.339 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.362 -5.039 -1.978 1.00 0.13 C ATOM 1202 C TYR A 284 -0.920 -5.199 -1.475 1.00 0.14 C ATOM 1203 O TYR A 284 -0.590 -4.834 -0.349 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.837 -3.579 -1.770 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.050 -3.157 -2.602 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -4.968 -4.089 -3.069 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.266 -1.813 -2.937 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.056 -3.711 -3.832 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.355 -1.434 -3.703 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.246 -2.387 -4.146 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.330 -2.013 -4.906 1.00 0.41 O ATOM 0 H TYR A 284 -3.261 -5.969 -0.320 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.395 -5.244 -3.048 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.075 -3.439 -0.716 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.009 -2.909 -2.001 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.828 -5.133 -2.830 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.572 -1.061 -2.592 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.756 -4.455 -4.181 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.506 -0.394 -3.953 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.318 -1.042 -5.037 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.048 -5.645 -2.367 1.00 0.13 N ATOM 1222 CA GLN A 285 1.368 -5.764 -2.093 1.00 0.13 C ATOM 1223 C GLN A 285 2.060 -4.407 -2.208 1.00 0.12 C ATOM 1224 O GLN A 285 1.490 -3.445 -2.726 1.00 0.13 O ATOM 1225 CB GLN A 285 2.028 -6.737 -3.078 1.00 0.12 C ATOM 1226 CG GLN A 285 1.459 -8.145 -3.063 1.00 0.15 C ATOM 1227 CD GLN A 285 0.284 -8.348 -4.003 1.00 0.21 C ATOM 1228 OE1 GLN A 285 0.017 -7.385 -4.878 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.362 -9.390 -3.968 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.310 -5.936 -3.309 1.00 0.13 H new ATOM 0 HA GLN A 285 1.475 -6.141 -1.076 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.932 -6.332 -4.086 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.094 -6.789 -2.856 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.249 -8.848 -3.329 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.145 -8.388 -2.048 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.131 -10.110 -3.284 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.130 -9.536 -4.623 1.00 0.18 H new ATOM 1238 N CYS A 286 3.306 -4.357 -1.768 1.00 0.14 N ATOM 1239 CA CYS A 286 4.108 -3.146 -1.850 1.00 0.19 C ATOM 1240 C CYS A 286 5.377 -3.407 -2.593 1.00 0.19 C ATOM 1241 O CYS A 286 5.877 -4.523 -2.568 1.00 0.20 O ATOM 1242 CB CYS A 286 4.456 -2.662 -0.483 1.00 0.28 C ATOM 1243 SG CYS A 286 5.449 -3.816 0.488 1.00 1.00 S ATOM 0 H CYS A 286 3.789 -5.150 -1.346 1.00 0.14 H new ATOM 0 HA CYS A 286 3.521 -2.392 -2.375 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.998 -1.721 -0.571 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.535 -2.449 0.059 1.00 0.28 H new ATOM 0 HG CYS A 286 6.613 -3.290 0.730 1.00 1.00 H new ATOM 1249 N VAL A 287 5.772 -2.466 -3.422 1.00 0.20 N ATOM 1250 CA VAL A 287 6.813 -2.743 -4.374 1.00 0.21 C ATOM 1251 C VAL A 287 7.724 -1.536 -4.609 1.00 0.22 C ATOM 1252 O VAL A 287 7.277 -0.400 -4.783 1.00 0.24 O ATOM 1253 CB VAL A 287 6.179 -3.268 -5.693 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.681 -3.499 -5.488 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.425 -2.342 -6.875 1.00 0.27 C ATOM 0 H VAL A 287 5.393 -1.519 -3.454 1.00 0.20 H new ATOM 0 HA VAL A 287 7.460 -3.519 -3.965 1.00 0.21 H new ATOM 0 HB VAL A 287 6.666 -4.212 -5.937 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.239 -3.867 -6.414 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.531 -4.234 -4.697 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.203 -2.561 -5.206 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.959 -2.760 -7.768 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.994 -1.363 -6.666 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.498 -2.239 -7.040 1.00 0.27 H new ATOM 1265 N VAL A 288 9.013 -1.789 -4.560 1.00 0.24 N ATOM 1266 CA VAL A 288 10.006 -0.754 -4.768 1.00 0.26 C ATOM 1267 C VAL A 288 11.075 -1.274 -5.713 1.00 0.33 C ATOM 1268 O VAL A 288 11.657 -2.332 -5.475 1.00 0.37 O ATOM 1269 CB VAL A 288 10.636 -0.307 -3.429 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.938 0.425 -3.656 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.679 0.585 -2.662 1.00 0.36 C ATOM 0 H VAL A 288 9.403 -2.713 -4.376 1.00 0.24 H new ATOM 0 HA VAL A 288 9.522 0.118 -5.208 1.00 0.26 H new ATOM 0 HB VAL A 288 10.838 -1.204 -2.844 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.358 0.727 -2.696 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.640 -0.232 -4.168 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.757 1.309 -4.267 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.140 0.890 -1.722 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.449 1.469 -3.257 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.759 0.038 -2.455 1.00 0.36 H new ATOM 1281 N GLY A 289 11.207 -0.618 -6.861 1.00 0.43 N ATOM 1282 CA GLY A 289 12.096 -1.102 -7.902 1.00 0.57 C ATOM 1283 C GLY A 289 11.490 -2.255 -8.685 1.00 0.73 C ATOM 1284 O GLY A 289 11.470 -2.239 -9.916 1.00 1.51 O ATOM 0 H GLY A 289 10.712 0.244 -7.090 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.331 -0.286 -8.585 1.00 0.57 H new ATOM 0 HA3 GLY A 289 13.036 -1.424 -7.454 1.00 0.57 H new ATOM 1288 N GLY A 290 10.961 -3.230 -7.961 1.00 0.41 N ATOM 1289 CA GLY A 290 10.333 -4.383 -8.576 1.00 0.41 C ATOM 1290 C GLY A 290 9.809 -5.351 -7.535 1.00 0.37 C ATOM 1291 O GLY A 290 8.817 -6.049 -7.758 1.00 0.64 O ATOM 0 H GLY A 290 10.956 -3.242 -6.941 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.513 -4.055 -9.214 1.00 0.41 H new ATOM 0 HA3 GLY A 290 11.053 -4.891 -9.218 1.00 0.41 H new ATOM 1295 N GLU A 291 10.513 -5.418 -6.413 1.00 0.27 N ATOM 1296 CA GLU A 291 10.170 -6.310 -5.315 1.00 0.22 C ATOM 1297 C GLU A 291 8.790 -5.988 -4.740 1.00 0.16 C ATOM 1298 O GLU A 291 8.569 -4.871 -4.295 1.00 0.19 O ATOM 1299 CB GLU A 291 11.233 -6.166 -4.209 1.00 0.26 C ATOM 1300 CG GLU A 291 12.543 -6.880 -4.512 1.00 0.53 C ATOM 1301 CD GLU A 291 13.420 -6.133 -5.497 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.139 -4.947 -5.780 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.410 -6.722 -5.977 1.00 2.11 O ATOM 0 H GLU A 291 11.343 -4.851 -6.239 1.00 0.27 H new ATOM 0 HA GLU A 291 10.144 -7.332 -5.693 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.437 -5.107 -4.051 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.826 -6.555 -3.276 1.00 0.26 H new ATOM 0 HG2 GLU A 291 13.094 -7.024 -3.582 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.325 -7.871 -4.910 1.00 0.53 H new ATOM 1310 N LYS A 292 7.898 -6.988 -4.672 1.00 0.18 N ATOM 1311 CA LYS A 292 6.574 -6.802 -4.062 1.00 0.16 C ATOM 1312 C LYS A 292 6.382 -7.671 -2.805 1.00 0.17 C ATOM 1313 O LYS A 292 6.766 -8.843 -2.777 1.00 0.29 O ATOM 1314 CB LYS A 292 5.458 -7.084 -5.068 1.00 0.18 C ATOM 1315 CG LYS A 292 5.539 -8.442 -5.733 1.00 0.23 C ATOM 1316 CD LYS A 292 4.283 -8.720 -6.534 1.00 0.29 C ATOM 1317 CE LYS A 292 4.436 -9.960 -7.399 1.00 0.49 C ATOM 1318 NZ LYS A 292 3.144 -10.390 -7.997 1.00 1.33 N ATOM 0 H LYS A 292 8.068 -7.928 -5.030 1.00 0.18 H new ATOM 0 HA LYS A 292 6.519 -5.757 -3.755 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.498 -7.000 -4.559 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.479 -6.314 -5.839 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.410 -8.481 -6.387 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.673 -9.216 -4.977 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.439 -8.850 -5.856 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.055 -7.861 -7.165 1.00 0.29 H new ATOM 0 HE2 LYS A 292 5.154 -9.760 -8.194 1.00 0.49 H new ATOM 0 HE3 LYS A 292 4.845 -10.772 -6.798 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 3.296 -11.239 -8.579 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 2.466 -10.607 -7.239 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 2.766 -9.626 -8.592 1.00 1.33 H new ATOM 1332 N CYS A 293 5.782 -7.073 -1.771 1.00 0.16 N ATOM 1333 CA CYS A 293 5.478 -7.760 -0.512 1.00 0.18 C ATOM 1334 C CYS A 293 3.993 -7.641 -0.215 1.00 0.15 C ATOM 1335 O CYS A 293 3.424 -6.564 -0.355 1.00 0.14 O ATOM 1336 CB CYS A 293 6.301 -7.186 0.645 1.00 0.28 C ATOM 1337 SG CYS A 293 7.884 -8.027 0.883 1.00 1.55 S ATOM 0 H CYS A 293 5.492 -6.095 -1.784 1.00 0.16 H new ATOM 0 HA CYS A 293 5.744 -8.812 -0.617 1.00 0.18 H new ATOM 0 HB2 CYS A 293 6.484 -6.127 0.461 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.719 -7.254 1.564 1.00 0.28 H new ATOM 0 HG CYS A 293 8.520 -7.482 1.877 1.00 1.55 H new ATOM 1343 N SER A 294 3.348 -8.775 0.005 1.00 0.17 N ATOM 1344 CA SER A 294 1.895 -8.831 0.031 1.00 0.18 C ATOM 1345 C SER A 294 1.289 -8.406 1.354 1.00 0.17 C ATOM 1346 O SER A 294 1.811 -8.695 2.431 1.00 0.20 O ATOM 1347 CB SER A 294 1.426 -10.242 -0.324 1.00 0.27 C ATOM 1348 OG SER A 294 2.040 -11.207 0.511 1.00 0.61 O ATOM 0 H SER A 294 3.808 -9.671 0.168 1.00 0.17 H new ATOM 0 HA SER A 294 1.547 -8.112 -0.710 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.343 -10.305 -0.223 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.662 -10.456 -1.367 1.00 0.27 H new ATOM 0 HG SER A 294 1.723 -12.101 0.266 1.00 0.61 H new ATOM 1354 N THR A 295 0.114 -7.813 1.242 1.00 0.17 N ATOM 1355 CA THR A 295 -0.698 -7.475 2.388 1.00 0.15 C ATOM 1356 C THR A 295 -2.164 -7.584 1.990 1.00 0.15 C ATOM 1357 O THR A 295 -2.543 -7.204 0.878 1.00 0.15 O ATOM 1358 CB THR A 295 -0.369 -6.056 2.914 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.274 -6.072 4.337 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.406 -5.018 2.500 1.00 0.20 C ATOM 0 H THR A 295 -0.302 -7.553 0.348 1.00 0.17 H new ATOM 0 HA THR A 295 -0.484 -8.169 3.201 1.00 0.15 H new ATOM 0 HB THR A 295 0.584 -5.771 2.468 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.414 -5.166 4.684 1.00 0.29 H new ATOM 0 HG21 THR A 295 -1.123 -4.043 2.897 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.455 -4.967 1.412 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.382 -5.301 2.894 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.955 -8.237 2.819 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.348 -8.459 2.488 1.00 0.15 C ATOM 1370 C GLU A 296 -5.144 -7.192 2.751 1.00 0.14 C ATOM 1371 O GLU A 296 -4.846 -6.436 3.675 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.895 -9.651 3.270 1.00 0.18 C ATOM 1373 CG GLU A 296 -3.996 -10.869 3.155 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.580 -12.110 3.793 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -4.681 -12.163 5.034 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -4.939 -13.048 3.050 1.00 0.96 O ATOM 0 H GLU A 296 -2.661 -8.619 3.718 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.440 -8.698 1.429 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.002 -9.377 4.320 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.891 -9.899 2.902 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.801 -11.069 2.101 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.036 -10.648 3.621 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.044 -6.884 1.847 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.796 -5.654 1.922 1.00 0.15 C ATOM 1385 C LEU A 297 -8.228 -5.935 2.324 1.00 0.15 C ATOM 1386 O LEU A 297 -9.031 -6.385 1.508 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.765 -4.926 0.579 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.467 -3.574 0.575 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.907 -2.707 1.687 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.302 -2.890 -0.771 1.00 0.29 C ATOM 0 H LEU A 297 -6.274 -7.473 1.046 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.336 -5.017 2.677 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.726 -4.782 0.282 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.227 -5.563 -0.176 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.533 -3.726 0.746 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.410 -1.740 1.683 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.070 -3.197 2.647 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.838 -2.560 1.531 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.810 -1.926 -0.754 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.242 -2.738 -0.974 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.735 -3.515 -1.552 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.549 -5.577 3.555 1.00 0.14 N ATOM 1403 CA PHE A 298 -9.901 -5.689 4.068 1.00 0.19 C ATOM 1404 C PHE A 298 -10.520 -4.304 4.152 1.00 0.19 C ATOM 1405 O PHE A 298 -9.822 -3.321 4.380 1.00 0.24 O ATOM 1406 CB PHE A 298 -9.913 -6.347 5.452 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.520 -7.800 5.455 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.228 -8.190 5.138 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.447 -8.776 5.782 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.872 -9.525 5.146 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.096 -10.112 5.790 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.807 -10.486 5.473 1.00 0.45 C ATOM 0 H PHE A 298 -7.879 -5.201 4.226 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.480 -6.316 3.390 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.236 -5.799 6.107 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -10.913 -6.253 5.877 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.492 -7.442 4.882 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.457 -8.489 6.034 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.862 -9.816 4.896 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.830 -10.862 6.044 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.530 -11.530 5.481 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.815 -4.209 3.954 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.472 -2.922 4.038 1.00 0.28 C ATOM 1424 C VAL A 299 -13.549 -2.919 5.116 1.00 0.32 C ATOM 1425 O VAL A 299 -14.369 -3.836 5.205 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.056 -2.483 2.677 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -13.911 -3.573 2.060 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.845 -1.194 2.832 1.00 0.35 C ATOM 0 H VAL A 299 -12.428 -4.995 3.737 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.710 -2.194 4.318 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.224 -2.301 1.997 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.305 -3.229 1.104 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.305 -4.465 1.903 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.738 -3.809 2.729 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.250 -0.897 1.865 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.663 -1.350 3.536 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.189 -0.409 3.207 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.527 -1.885 5.940 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.494 -1.712 7.002 1.00 0.41 C ATOM 1440 C LYS A 300 -15.573 -0.751 6.560 1.00 0.40 C ATOM 1441 O LYS A 300 -15.273 0.352 6.100 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.803 -1.174 8.255 1.00 0.48 C ATOM 1443 CG LYS A 300 -12.954 -2.203 8.981 1.00 1.17 C ATOM 1444 CD LYS A 300 -12.276 -1.601 10.205 1.00 1.72 C ATOM 1445 CE LYS A 300 -13.292 -1.106 11.226 1.00 2.32 C ATOM 1446 NZ LYS A 300 -14.152 -2.206 11.731 1.00 3.03 N ATOM 0 H LYS A 300 -12.832 -1.140 5.888 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.946 -2.677 7.232 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.173 -0.330 7.976 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.560 -0.794 8.940 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -13.579 -3.043 9.285 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -12.198 -2.598 8.302 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -11.630 -2.348 10.667 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -11.637 -0.773 9.897 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -12.769 -0.641 12.062 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -13.916 -0.336 10.773 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -14.698 -1.871 12.550 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -14.805 -2.509 10.980 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -13.556 -3.009 12.017 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.819 -1.157 6.729 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.946 -0.313 6.384 1.00 0.57 C ATOM 1462 C GLU A 301 -18.024 0.882 7.341 1.00 0.65 C ATOM 1463 O GLU A 301 -17.159 0.987 8.238 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.251 -1.113 6.443 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.356 -2.178 5.367 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.580 -3.053 5.519 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.706 -2.518 5.444 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -20.425 -4.281 5.699 1.00 1.21 O ATOM 1469 OXT GLU A 301 -18.946 1.710 7.201 1.00 1.20 O ATOM 0 H GLU A 301 -17.075 -2.070 7.105 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.804 0.054 5.367 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.334 -1.586 7.421 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.093 -0.427 6.348 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.379 -1.697 4.389 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.464 -2.803 5.394 1.00 0.66 H new