USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 692 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 218 LYS NZ :NH3+ 177:sc= 1.14 (180deg=-0.0483) USER MOD Set 1.2: A 295 THR OG1 : rot -141:sc= -2.11! USER MOD Set 2.1: A 245 LYS NZ :NH3+ 156:sc= 2.39 (180deg=-0.24) USER MOD Set 2.2: A 254 GLN : amide:sc= 0.34 K(o=2.7,f=-4.4) USER MOD Set 3.1: A 234 THR OG1 : rot 180:sc= 0.61 USER MOD Set 3.2: A 270 THR OG1 : rot -98:sc= 0.665 USER MOD Set 4.1: A 230 LYS NZ :NH3+ -141:sc= -0.861 (180deg=-3.8!) USER MOD Set 4.2: A 274 SER OG : rot 160:sc= 0.536 USER MOD Set 5.1: A 216 GLN :FLIP amide:sc= -0.0593 X(o=0.0015,f=0.3) USER MOD Set 5.2: A 240 HIS :FLIP no HE2:sc= 0.361 F(o=-2.5!,f=0.3) USER MOD Single : A 217 LYS NZ :NH3+ -155:sc= 1.22 (180deg=1.07) USER MOD Single : A 223 TYR OH : rot 180:sc= -1.34 USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 HIS : no HD1:sc= -0.164 K(o=-0.16,f=-0.67) USER MOD Single : A 248 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0549) USER MOD Single : A 249 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.47) USER MOD Single : A 251 GLN :FLIP amide:sc= -0.109 F(o=-1.8,f=-0.11) USER MOD Single : A 255 MET CE :methyl 168:sc= 0 (180deg=-0.218) USER MOD Single : A 256 SER OG : rot 180:sc= 0.0975 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 LYS NZ :NH3+ -167:sc= 1.23 (180deg=0.938) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= -0.117 USER MOD Single : A 268 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 THR OG1 : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 276 CYS SG : rot -9:sc= -3.92! USER MOD Single : A 277 SER OG : rot 180:sc= 0 USER MOD Single : A 284 TYR OH : rot 89:sc= 0.424 USER MOD Single : A 285 GLN :FLIP amide:sc= -11.7! C(o=-16!,f=-12!) USER MOD Single : A 286 CYS SG : rot 119:sc= -6.08! USER MOD Single : A 292 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0186) USER MOD Single : A 293 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 SER OG : rot 180:sc= 0.00214 USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 12.198 -3.113 0.188 1.00 0.50 N ATOM 98 CA ALA A 214 12.674 -1.824 0.676 1.00 0.39 C ATOM 99 C ALA A 214 11.645 -1.134 1.564 1.00 0.25 C ATOM 100 O ALA A 214 11.805 0.036 1.901 1.00 0.27 O ATOM 101 CB ALA A 214 13.061 -0.903 -0.459 1.00 0.48 C ATOM 0 HA ALA A 214 13.561 -2.035 1.274 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.410 0.047 -0.054 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.857 -1.362 -1.045 1.00 0.48 H new ATOM 0 HB3 ALA A 214 12.195 -0.729 -1.097 1.00 0.48 H new ATOM 107 N PHE A 215 10.710 -1.900 2.099 1.00 0.25 N ATOM 108 CA PHE A 215 9.852 -1.405 3.146 1.00 0.18 C ATOM 109 C PHE A 215 10.348 -2.011 4.435 1.00 0.21 C ATOM 110 O PHE A 215 10.152 -3.201 4.689 1.00 0.28 O ATOM 111 CB PHE A 215 8.374 -1.770 2.906 1.00 0.20 C ATOM 112 CG PHE A 215 7.787 -1.221 1.623 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.272 -1.615 0.394 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.743 -0.314 1.649 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.737 -1.119 -0.780 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.203 0.187 0.481 1.00 0.31 C ATOM 117 CZ PHE A 215 6.701 -0.215 -0.737 1.00 0.35 C ATOM 0 H PHE A 215 10.531 -2.865 1.822 1.00 0.25 H new ATOM 0 HA PHE A 215 9.891 -0.316 3.176 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.279 -2.856 2.898 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.783 -1.405 3.746 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.085 -2.324 0.348 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.343 0.008 2.599 1.00 0.26 H new ATOM 0 HE1 PHE A 215 8.133 -1.441 -1.732 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.389 0.895 0.524 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.282 0.176 -1.652 1.00 0.35 H new ATOM 127 N GLN A 216 11.072 -1.195 5.188 1.00 0.18 N ATOM 128 CA GLN A 216 11.670 -1.598 6.447 1.00 0.21 C ATOM 129 C GLN A 216 10.652 -2.355 7.264 1.00 0.24 C ATOM 130 O GLN A 216 10.838 -3.531 7.599 1.00 0.31 O ATOM 131 CB GLN A 216 12.101 -0.352 7.210 1.00 0.20 C ATOM 132 CG GLN A 216 13.494 -0.453 7.807 1.00 0.25 C ATOM 133 CD GLN A 216 13.817 0.715 8.712 1.00 0.30 C ATOM 134 OE1 GLN A 216 14.793 1.513 8.326 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 13.185 0.901 9.749 1.00 0.79 N flip ATOM 0 H GLN A 216 11.261 -0.225 4.937 1.00 0.18 H new ATOM 0 HA GLN A 216 12.534 -2.236 6.259 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.065 0.505 6.538 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.386 -0.161 8.010 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.578 -1.381 8.372 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.229 -0.501 7.003 1.00 0.25 H new ATOM 0 HE21 GLN A 216 12.437 0.260 10.012 1.00 0.79 H new ATOM 0 HE22 GLN A 216 13.409 1.697 10.347 1.00 0.79 H new ATOM 144 N LYS A 217 9.503 -1.731 7.397 1.00 0.20 N ATOM 145 CA LYS A 217 8.359 -2.370 7.976 1.00 0.22 C ATOM 146 C LYS A 217 7.136 -2.086 7.115 1.00 0.17 C ATOM 147 O LYS A 217 6.694 -0.948 7.020 1.00 0.17 O ATOM 148 CB LYS A 217 8.169 -1.839 9.402 1.00 0.28 C ATOM 149 CG LYS A 217 7.077 -2.521 10.204 1.00 0.36 C ATOM 150 CD LYS A 217 5.719 -1.884 9.970 1.00 0.59 C ATOM 151 CE LYS A 217 4.660 -2.477 10.885 1.00 1.26 C ATOM 152 NZ LYS A 217 4.501 -3.940 10.677 1.00 1.85 N ATOM 0 H LYS A 217 9.343 -0.767 7.105 1.00 0.20 H new ATOM 0 HA LYS A 217 8.501 -3.450 8.020 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.111 -1.942 9.940 1.00 0.28 H new ATOM 0 HB3 LYS A 217 7.947 -0.773 9.349 1.00 0.28 H new ATOM 0 HG2 LYS A 217 7.034 -3.576 9.934 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.322 -2.473 11.265 1.00 0.36 H new ATOM 0 HD2 LYS A 217 5.786 -0.809 10.138 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.424 -2.026 8.930 1.00 0.59 H new ATOM 0 HE2 LYS A 217 4.930 -2.286 11.924 1.00 1.26 H new ATOM 0 HE3 LYS A 217 3.707 -1.980 10.706 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 3.545 -4.230 10.968 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 4.640 -4.165 9.671 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 5.206 -4.450 11.247 1.00 1.85 H new ATOM 166 N LYS A 218 6.481 -3.136 6.664 1.00 0.19 N ATOM 167 CA LYS A 218 5.178 -3.001 6.033 1.00 0.20 C ATOM 168 C LYS A 218 4.125 -3.381 7.059 1.00 0.18 C ATOM 169 O LYS A 218 4.374 -4.237 7.913 1.00 0.20 O ATOM 170 CB LYS A 218 5.074 -3.865 4.756 1.00 0.31 C ATOM 171 CG LYS A 218 3.749 -3.728 4.001 1.00 0.39 C ATOM 172 CD LYS A 218 2.730 -4.761 4.444 1.00 0.96 C ATOM 173 CE LYS A 218 3.160 -6.172 4.092 1.00 1.56 C ATOM 174 NZ LYS A 218 2.379 -7.193 4.840 1.00 2.42 N ATOM 0 H LYS A 218 6.827 -4.094 6.721 1.00 0.19 H new ATOM 0 HA LYS A 218 5.024 -1.972 5.710 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.889 -3.597 4.084 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.216 -4.911 5.028 1.00 0.31 H new ATOM 0 HG2 LYS A 218 3.344 -2.729 4.159 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.929 -3.833 2.931 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.582 -4.685 5.521 1.00 0.96 H new ATOM 0 HD3 LYS A 218 1.770 -4.547 3.975 1.00 0.96 H new ATOM 0 HE2 LYS A 218 3.036 -6.333 3.021 1.00 1.56 H new ATOM 0 HE3 LYS A 218 4.221 -6.294 4.312 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 2.668 -8.144 4.534 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.557 -7.088 5.859 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 1.365 -7.062 4.651 1.00 2.42 H new ATOM 188 N LEU A 219 3.015 -2.663 7.068 1.00 0.16 N ATOM 189 CA LEU A 219 1.972 -2.885 8.058 1.00 0.16 C ATOM 190 C LEU A 219 1.430 -4.315 8.000 1.00 0.16 C ATOM 191 O LEU A 219 1.770 -5.083 7.104 1.00 0.17 O ATOM 192 CB LEU A 219 0.833 -1.878 7.914 1.00 0.20 C ATOM 193 CG LEU A 219 0.862 -0.719 8.913 1.00 0.66 C ATOM 194 CD1 LEU A 219 -0.330 0.196 8.696 1.00 1.20 C ATOM 195 CD2 LEU A 219 0.876 -1.240 10.344 1.00 1.62 C ATOM 0 H LEU A 219 2.811 -1.920 6.400 1.00 0.16 H new ATOM 0 HA LEU A 219 2.433 -2.738 9.035 1.00 0.16 H new ATOM 0 HB2 LEU A 219 0.857 -1.468 6.904 1.00 0.20 H new ATOM 0 HB3 LEU A 219 -0.114 -2.406 8.021 1.00 0.20 H new ATOM 0 HG LEU A 219 1.776 -0.148 8.748 1.00 0.66 H new ATOM 0 HD11 LEU A 219 -0.295 1.015 9.414 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.300 0.599 7.684 1.00 1.20 H new ATOM 0 HD13 LEU A 219 -1.252 -0.369 8.834 1.00 1.20 H new ATOM 0 HD21 LEU A 219 0.897 -0.399 11.037 1.00 1.62 H new ATOM 0 HD22 LEU A 219 -0.019 -1.836 10.523 1.00 1.62 H new ATOM 0 HD23 LEU A 219 1.760 -1.858 10.497 1.00 1.62 H new ATOM 207 N GLU A 220 0.675 -4.692 9.017 1.00 0.17 N ATOM 208 CA GLU A 220 0.123 -6.041 9.134 1.00 0.20 C ATOM 209 C GLU A 220 -0.501 -6.510 7.817 1.00 0.19 C ATOM 210 O GLU A 220 -1.038 -5.701 7.060 1.00 0.19 O ATOM 211 CB GLU A 220 -0.951 -6.031 10.215 1.00 0.23 C ATOM 212 CG GLU A 220 -2.059 -5.030 9.924 1.00 0.24 C ATOM 213 CD GLU A 220 -3.088 -4.958 11.029 1.00 0.75 C ATOM 214 OE1 GLU A 220 -3.721 -5.994 11.324 1.00 1.43 O ATOM 215 OE2 GLU A 220 -3.273 -3.865 11.604 1.00 1.12 O ATOM 0 H GLU A 220 0.424 -4.074 9.789 1.00 0.17 H new ATOM 0 HA GLU A 220 0.932 -6.726 9.388 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.381 -7.029 10.305 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.494 -5.793 11.175 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.621 -4.043 9.777 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.553 -5.302 8.991 1.00 0.24 H new ATOM 222 N PRO A 221 -0.377 -7.814 7.495 1.00 0.22 N ATOM 223 CA PRO A 221 -0.885 -8.392 6.236 1.00 0.23 C ATOM 224 C PRO A 221 -2.407 -8.351 6.108 1.00 0.20 C ATOM 225 O PRO A 221 -2.987 -9.169 5.405 1.00 0.19 O ATOM 226 CB PRO A 221 -0.406 -9.848 6.282 1.00 0.29 C ATOM 227 CG PRO A 221 0.693 -9.860 7.286 1.00 0.57 C ATOM 228 CD PRO A 221 0.321 -8.823 8.304 1.00 0.26 C ATOM 0 HA PRO A 221 -0.522 -7.824 5.380 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.213 -10.520 6.572 1.00 0.29 H new ATOM 0 HB3 PRO A 221 -0.052 -10.178 5.305 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.793 -10.843 7.746 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.651 -9.627 6.821 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.321 -9.233 9.083 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.199 -8.409 8.800 1.00 0.26 H new ATOM 236 N ALA A 222 -3.017 -7.309 6.647 1.00 0.20 N ATOM 237 CA ALA A 222 -4.436 -7.067 6.481 1.00 0.19 C ATOM 238 C ALA A 222 -4.746 -5.606 6.756 1.00 0.15 C ATOM 239 O ALA A 222 -5.096 -5.228 7.876 1.00 0.17 O ATOM 240 CB ALA A 222 -5.260 -7.963 7.387 1.00 0.24 C ATOM 0 H ALA A 222 -2.540 -6.607 7.213 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.704 -7.303 5.451 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.320 -7.756 7.238 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.057 -9.007 7.148 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -4.996 -7.771 8.427 1.00 0.24 H new ATOM 246 N TYR A 223 -4.640 -4.795 5.717 1.00 0.12 N ATOM 247 CA TYR A 223 -4.963 -3.382 5.814 1.00 0.11 C ATOM 248 C TYR A 223 -6.476 -3.221 5.760 1.00 0.13 C ATOM 249 O TYR A 223 -7.129 -3.841 4.924 1.00 0.17 O ATOM 250 CB TYR A 223 -4.326 -2.596 4.659 1.00 0.12 C ATOM 251 CG TYR A 223 -2.817 -2.428 4.721 1.00 0.12 C ATOM 252 CD1 TYR A 223 -1.985 -3.414 5.237 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.227 -1.272 4.231 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.609 -3.247 5.263 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.857 -1.099 4.252 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.055 -2.084 4.767 1.00 0.16 C ATOM 257 OH TYR A 223 1.307 -1.904 4.791 1.00 0.21 O ATOM 0 H TYR A 223 -4.331 -5.093 4.792 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.571 -2.992 6.753 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.578 -3.095 3.723 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.781 -1.606 4.625 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.417 -4.325 5.624 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.852 -0.491 3.825 1.00 0.18 H new ATOM 0 HE1 TYR A 223 0.025 -4.021 5.669 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.419 -0.191 3.864 1.00 0.20 H new ATOM 0 HH TYR A 223 1.529 -1.032 4.403 1.00 0.21 H new ATOM 267 N GLN A 224 -7.045 -2.499 6.717 1.00 0.15 N ATOM 268 CA GLN A 224 -8.496 -2.368 6.797 1.00 0.18 C ATOM 269 C GLN A 224 -8.969 -0.984 6.352 1.00 0.17 C ATOM 270 O GLN A 224 -8.769 0.008 7.057 1.00 0.22 O ATOM 271 CB GLN A 224 -8.982 -2.655 8.219 1.00 0.26 C ATOM 272 CG GLN A 224 -8.737 -4.085 8.670 1.00 0.34 C ATOM 273 CD GLN A 224 -9.222 -4.340 10.081 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.791 -3.683 11.030 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.120 -5.297 10.238 1.00 0.99 N ATOM 0 H GLN A 224 -6.531 -1.999 7.442 1.00 0.15 H new ATOM 0 HA GLN A 224 -8.925 -3.102 6.115 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.482 -1.975 8.909 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.049 -2.442 8.279 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.241 -4.769 7.987 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.671 -4.303 8.611 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.454 -5.821 9.429 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.479 -5.512 11.168 1.00 0.99 H new ATOM 284 N VAL A 225 -9.593 -0.932 5.173 1.00 0.16 N ATOM 285 CA VAL A 225 -10.131 0.305 4.626 1.00 0.18 C ATOM 286 C VAL A 225 -11.262 0.831 5.480 1.00 0.24 C ATOM 287 O VAL A 225 -12.267 0.159 5.620 1.00 0.30 O ATOM 288 CB VAL A 225 -10.732 0.103 3.218 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.925 1.441 2.519 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.899 -0.843 2.374 1.00 0.77 C ATOM 0 H VAL A 225 -9.737 -1.746 4.576 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.290 0.998 4.594 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.710 -0.362 3.343 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.349 1.276 1.529 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.602 2.063 3.105 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.962 1.943 2.422 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.359 -0.956 1.392 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.893 -0.439 2.259 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.845 -1.816 2.863 1.00 0.77 H new ATOM 300 N SER A 226 -11.260 2.118 5.718 1.00 0.26 N ATOM 301 CA SER A 226 -12.487 2.749 6.145 1.00 0.33 C ATOM 302 C SER A 226 -13.295 3.040 4.885 1.00 0.32 C ATOM 303 O SER A 226 -12.839 3.812 4.034 1.00 0.32 O ATOM 304 CB SER A 226 -12.189 4.019 6.921 1.00 0.42 C ATOM 305 OG SER A 226 -11.400 3.744 8.067 1.00 1.20 O ATOM 0 H SER A 226 -10.452 2.734 5.628 1.00 0.26 H new ATOM 0 HA SER A 226 -13.053 2.101 6.815 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.667 4.728 6.278 1.00 0.42 H new ATOM 0 HB3 SER A 226 -13.123 4.492 7.224 1.00 0.42 H new ATOM 0 HG SER A 226 -11.221 4.578 8.549 1.00 1.20 H new ATOM 311 N LYS A 227 -14.254 2.157 4.622 1.00 0.34 N ATOM 312 CA LYS A 227 -14.883 2.059 3.303 1.00 0.37 C ATOM 313 C LYS A 227 -15.235 3.410 2.693 1.00 0.42 C ATOM 314 O LYS A 227 -15.963 4.213 3.276 1.00 0.48 O ATOM 315 CB LYS A 227 -16.147 1.184 3.347 1.00 0.44 C ATOM 316 CG LYS A 227 -17.333 1.829 4.052 1.00 0.95 C ATOM 317 CD LYS A 227 -18.638 1.608 3.298 1.00 0.93 C ATOM 318 CE LYS A 227 -19.059 0.150 3.292 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.344 -0.058 2.574 1.00 1.54 N ATOM 0 H LYS A 227 -14.616 1.494 5.308 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.131 1.595 2.665 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.438 0.935 2.326 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.908 0.246 3.848 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.422 1.419 5.058 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.153 2.899 4.158 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -19.425 2.209 3.754 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.525 1.956 2.271 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -18.280 -0.450 2.821 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.157 -0.203 4.319 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.594 -1.067 2.594 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -21.094 0.494 3.038 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.245 0.254 1.587 1.00 1.54 H new ATOM 333 N GLY A 228 -14.758 3.614 1.475 1.00 0.46 N ATOM 334 CA GLY A 228 -15.136 4.786 0.710 1.00 0.57 C ATOM 335 C GLY A 228 -14.559 6.070 1.250 1.00 0.57 C ATOM 336 O GLY A 228 -14.744 7.134 0.659 1.00 0.70 O ATOM 0 H GLY A 228 -14.111 2.985 0.999 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.810 4.657 -0.322 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -16.223 4.864 0.694 1.00 0.57 H new ATOM 340 N HIS A 229 -13.773 5.966 2.307 1.00 0.47 N ATOM 341 CA HIS A 229 -13.055 7.120 2.804 1.00 0.53 C ATOM 342 C HIS A 229 -11.793 7.261 1.986 1.00 0.54 C ATOM 343 O HIS A 229 -11.746 8.044 1.035 1.00 1.02 O ATOM 344 CB HIS A 229 -12.715 6.968 4.292 1.00 0.55 C ATOM 345 CG HIS A 229 -13.910 6.968 5.200 1.00 1.32 C ATOM 346 ND1 HIS A 229 -13.811 6.924 6.575 1.00 1.94 N ATOM 347 CD2 HIS A 229 -15.236 6.992 4.923 1.00 2.31 C ATOM 348 CE1 HIS A 229 -15.021 6.918 7.101 1.00 2.66 C ATOM 349 NE2 HIS A 229 -15.901 6.958 6.121 1.00 2.89 N ATOM 0 H HIS A 229 -13.618 5.104 2.830 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.677 8.010 2.710 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.165 6.038 4.434 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -12.050 7.780 4.586 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -15.685 7.031 3.942 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -15.251 6.886 8.156 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -16.915 6.963 6.236 1.00 2.89 H new ATOM 358 N LYS A 230 -10.884 6.318 2.233 1.00 0.30 N ATOM 359 CA LYS A 230 -9.658 6.130 1.461 1.00 0.28 C ATOM 360 C LYS A 230 -8.649 5.388 2.328 1.00 0.24 C ATOM 361 O LYS A 230 -8.214 5.914 3.351 1.00 0.28 O ATOM 362 CB LYS A 230 -9.050 7.467 0.981 1.00 0.36 C ATOM 363 CG LYS A 230 -8.718 8.454 2.098 1.00 1.00 C ATOM 364 CD LYS A 230 -8.184 9.778 1.565 1.00 1.23 C ATOM 365 CE LYS A 230 -9.287 10.660 0.989 1.00 1.65 C ATOM 366 NZ LYS A 230 -9.775 10.178 -0.329 1.00 2.24 N ATOM 0 H LYS A 230 -10.983 5.647 2.995 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.904 5.555 0.568 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.140 7.256 0.419 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -9.748 7.941 0.291 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -9.612 8.639 2.693 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -7.979 8.009 2.764 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -7.678 10.312 2.369 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -7.439 9.582 0.794 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -10.121 10.696 1.690 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -8.914 11.679 0.884 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -9.957 10.992 -0.951 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -9.055 9.565 -0.763 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -10.655 9.639 -0.198 1.00 2.24 H new ATOM 380 N ILE A 231 -8.335 4.141 2.010 1.00 0.20 N ATOM 381 CA ILE A 231 -7.399 3.428 2.869 1.00 0.17 C ATOM 382 C ILE A 231 -5.955 3.720 2.469 1.00 0.16 C ATOM 383 O ILE A 231 -5.598 3.713 1.294 1.00 0.17 O ATOM 384 CB ILE A 231 -7.622 1.901 2.913 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.569 1.268 3.833 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.528 1.296 1.525 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.734 -0.210 4.052 1.00 0.19 C ATOM 0 H ILE A 231 -8.692 3.622 1.207 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.593 3.804 3.873 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.622 1.702 3.298 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.581 1.451 3.411 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.601 1.771 4.800 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.689 0.220 1.586 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.287 1.741 0.882 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.540 1.492 1.109 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.946 -0.570 4.714 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.706 -0.404 4.505 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.669 -0.729 3.096 1.00 0.19 H new ATOM 399 N ARG A 232 -5.156 4.056 3.469 1.00 0.17 N ATOM 400 CA ARG A 232 -3.756 4.398 3.274 1.00 0.17 C ATOM 401 C ARG A 232 -2.879 3.191 3.573 1.00 0.15 C ATOM 402 O ARG A 232 -3.188 2.427 4.485 1.00 0.19 O ATOM 403 CB ARG A 232 -3.371 5.560 4.195 1.00 0.22 C ATOM 404 CG ARG A 232 -3.972 6.899 3.794 1.00 0.34 C ATOM 405 CD ARG A 232 -5.420 7.042 4.238 1.00 0.77 C ATOM 406 NE ARG A 232 -5.541 7.284 5.676 1.00 1.44 N ATOM 407 CZ ARG A 232 -6.707 7.423 6.307 1.00 2.13 C ATOM 408 NH1 ARG A 232 -7.839 7.232 5.647 1.00 2.48 N ATOM 409 NH2 ARG A 232 -6.739 7.737 7.599 1.00 3.14 N ATOM 0 H ARG A 232 -5.461 4.099 4.441 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.606 4.698 2.237 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.686 5.323 5.211 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.285 5.652 4.211 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.380 7.704 4.229 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -3.914 7.010 2.711 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -5.885 7.864 3.694 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -5.968 6.137 3.977 1.00 0.77 H new ATOM 0 HE ARG A 232 -4.685 7.350 6.227 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -7.817 6.979 4.659 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -8.733 7.337 6.127 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -5.868 7.873 8.113 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -7.634 7.842 8.076 1.00 3.14 H new ATOM 423 N LEU A 233 -1.793 2.998 2.822 1.00 0.13 N ATOM 424 CA LEU A 233 -0.920 1.878 3.074 1.00 0.14 C ATOM 425 C LEU A 233 0.363 2.389 3.696 1.00 0.13 C ATOM 426 O LEU A 233 1.234 2.891 2.992 1.00 0.13 O ATOM 427 CB LEU A 233 -0.638 1.114 1.771 1.00 0.15 C ATOM 428 CG LEU A 233 -1.725 0.109 1.340 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.056 0.800 1.080 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.292 -0.659 0.102 1.00 0.23 C ATOM 0 H LEU A 233 -1.510 3.599 2.048 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.399 1.183 3.764 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.500 1.839 0.969 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.304 0.577 1.882 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.860 -0.592 2.164 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.797 0.060 0.778 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.391 1.299 1.989 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.935 1.536 0.286 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.075 -1.362 -0.183 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.116 0.039 -0.716 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.374 -1.206 0.316 1.00 0.23 H new ATOM 442 N THR A 234 0.398 2.401 5.022 1.00 0.14 N ATOM 443 CA THR A 234 1.508 2.991 5.749 1.00 0.16 C ATOM 444 C THR A 234 2.577 1.953 6.058 1.00 0.16 C ATOM 445 O THR A 234 2.284 0.836 6.487 1.00 0.22 O ATOM 446 CB THR A 234 1.033 3.663 7.054 1.00 0.22 C ATOM 447 OG1 THR A 234 0.041 4.654 6.756 1.00 0.33 O ATOM 448 CG2 THR A 234 2.197 4.321 7.783 1.00 0.24 C ATOM 0 H THR A 234 -0.333 2.007 5.615 1.00 0.14 H new ATOM 0 HA THR A 234 1.942 3.757 5.106 1.00 0.16 H new ATOM 0 HB THR A 234 0.607 2.893 7.698 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.259 5.077 7.588 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.835 4.787 8.699 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.945 3.567 8.030 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.645 5.080 7.142 1.00 0.24 H new ATOM 456 N VAL A 235 3.808 2.323 5.772 1.00 0.14 N ATOM 457 CA VAL A 235 4.955 1.451 5.935 1.00 0.14 C ATOM 458 C VAL A 235 6.129 2.265 6.450 1.00 0.14 C ATOM 459 O VAL A 235 6.294 3.410 6.056 1.00 0.16 O ATOM 460 CB VAL A 235 5.348 0.818 4.582 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.237 -0.064 4.063 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.628 1.906 3.573 1.00 0.14 C ATOM 0 H VAL A 235 4.044 3.249 5.415 1.00 0.14 H new ATOM 0 HA VAL A 235 4.698 0.661 6.640 1.00 0.14 H new ATOM 0 HB VAL A 235 6.241 0.211 4.733 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.534 -0.500 3.109 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.040 -0.861 4.780 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.334 0.531 3.924 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.905 1.456 2.620 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.735 2.517 3.440 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.446 2.532 3.930 1.00 0.14 H new ATOM 472 N GLU A 236 7.035 1.642 7.165 1.00 0.13 N ATOM 473 CA GLU A 236 8.272 2.309 7.475 1.00 0.13 C ATOM 474 C GLU A 236 9.250 1.924 6.392 1.00 0.13 C ATOM 475 O GLU A 236 9.547 0.752 6.232 1.00 0.17 O ATOM 476 CB GLU A 236 8.805 1.897 8.849 1.00 0.18 C ATOM 477 CG GLU A 236 9.708 2.946 9.475 1.00 0.29 C ATOM 478 CD GLU A 236 10.220 2.550 10.844 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.425 2.033 11.651 1.00 1.05 O ATOM 480 OE2 GLU A 236 11.429 2.721 11.111 1.00 1.18 O ATOM 0 H GLU A 236 6.942 0.696 7.535 1.00 0.13 H new ATOM 0 HA GLU A 236 8.123 3.388 7.513 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.964 1.705 9.516 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.356 0.962 8.753 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.556 3.127 8.815 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.161 3.885 9.556 1.00 0.29 H new ATOM 487 N LEU A 237 9.551 2.852 5.507 1.00 0.13 N ATOM 488 CA LEU A 237 10.367 2.532 4.352 1.00 0.15 C ATOM 489 C LEU A 237 11.796 2.268 4.764 1.00 0.17 C ATOM 490 O LEU A 237 12.303 2.880 5.694 1.00 0.19 O ATOM 491 CB LEU A 237 10.347 3.659 3.324 1.00 0.17 C ATOM 492 CG LEU A 237 9.405 3.455 2.140 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.500 4.637 1.196 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.734 2.172 1.397 1.00 0.55 C ATOM 0 H LEU A 237 9.247 3.824 5.563 1.00 0.13 H new ATOM 0 HA LEU A 237 9.944 1.635 3.900 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.070 4.584 3.830 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.358 3.796 2.941 1.00 0.17 H new ATOM 0 HG LEU A 237 8.387 3.377 2.522 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.825 4.485 0.353 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.221 5.548 1.725 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.523 4.729 0.830 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.048 2.051 0.559 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.757 2.219 1.025 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.633 1.324 2.074 1.00 0.55 H new ATOM 506 N ALA A 238 12.467 1.445 3.987 1.00 0.19 N ATOM 507 CA ALA A 238 13.893 1.248 4.130 1.00 0.21 C ATOM 508 C ALA A 238 14.606 2.266 3.255 1.00 0.23 C ATOM 509 O ALA A 238 15.646 2.806 3.617 1.00 0.28 O ATOM 510 CB ALA A 238 14.276 -0.168 3.739 1.00 0.25 C ATOM 0 H ALA A 238 12.041 0.895 3.241 1.00 0.19 H new ATOM 0 HA ALA A 238 14.188 1.389 5.170 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.352 -0.298 3.853 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.755 -0.877 4.382 1.00 0.25 H new ATOM 0 HB3 ALA A 238 13.997 -0.347 2.701 1.00 0.25 H new ATOM 516 N ASP A 239 13.969 2.574 2.127 1.00 0.22 N ATOM 517 CA ASP A 239 14.472 3.582 1.188 1.00 0.25 C ATOM 518 C ASP A 239 14.333 4.984 1.753 1.00 0.25 C ATOM 519 O ASP A 239 15.186 5.841 1.520 1.00 0.34 O ATOM 520 CB ASP A 239 13.737 3.494 -0.147 1.00 0.31 C ATOM 521 CG ASP A 239 14.486 2.626 -1.143 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.842 1.484 -0.796 1.00 1.28 O ATOM 523 OD2 ASP A 239 14.756 3.098 -2.268 1.00 1.19 O ATOM 0 H ASP A 239 13.095 2.136 1.837 1.00 0.22 H new ATOM 0 HA ASP A 239 15.530 3.376 1.029 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.739 3.086 0.013 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.610 4.495 -0.559 1.00 0.31 H new ATOM 528 N HIS A 240 13.246 5.200 2.492 1.00 0.27 N ATOM 529 CA HIS A 240 12.961 6.478 3.162 1.00 0.39 C ATOM 530 C HIS A 240 12.488 7.555 2.188 1.00 0.47 C ATOM 531 O HIS A 240 11.451 8.178 2.404 1.00 0.70 O ATOM 532 CB HIS A 240 14.184 6.991 3.940 1.00 0.46 C ATOM 533 CG HIS A 240 14.619 6.091 5.050 1.00 0.46 C ATOM 534 ND1 HIS A 240 14.185 4.863 5.408 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.616 6.420 5.942 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.919 4.473 6.501 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.777 5.430 6.800 1.00 0.48 N flip ATOM 0 H HIS A 240 12.530 4.491 2.647 1.00 0.27 H new ATOM 0 HA HIS A 240 12.151 6.275 3.862 1.00 0.39 H new ATOM 0 HB2 HIS A 240 15.014 7.123 3.246 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.954 7.974 4.352 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.449 4.325 4.951 1.00 0.56 H new ATOM 0 HD2 HIS A 240 16.177 7.343 5.940 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.812 3.537 7.029 1.00 0.57 H new ATOM 546 N ASP A 241 13.243 7.774 1.123 1.00 0.41 N ATOM 547 CA ASP A 241 12.926 8.820 0.163 1.00 0.51 C ATOM 548 C ASP A 241 12.962 8.267 -1.252 1.00 0.44 C ATOM 549 O ASP A 241 13.802 8.636 -2.074 1.00 0.78 O ATOM 550 CB ASP A 241 13.893 9.997 0.314 1.00 0.80 C ATOM 551 CG ASP A 241 13.555 11.157 -0.602 1.00 1.53 C ATOM 552 OD1 ASP A 241 12.386 11.593 -0.609 1.00 2.22 O ATOM 553 OD2 ASP A 241 14.451 11.623 -1.340 1.00 2.08 O ATOM 0 H ASP A 241 14.083 7.239 0.901 1.00 0.41 H new ATOM 0 HA ASP A 241 11.918 9.183 0.362 1.00 0.51 H new ATOM 0 HB2 ASP A 241 13.880 10.341 1.348 1.00 0.80 H new ATOM 0 HB3 ASP A 241 14.907 9.657 0.103 1.00 0.80 H new ATOM 558 N ALA A 242 12.073 7.330 -1.504 1.00 0.33 N ATOM 559 CA ALA A 242 11.977 6.691 -2.804 1.00 0.30 C ATOM 560 C ALA A 242 10.529 6.537 -3.213 1.00 0.24 C ATOM 561 O ALA A 242 9.646 6.428 -2.360 1.00 0.28 O ATOM 562 CB ALA A 242 12.646 5.333 -2.781 1.00 0.38 C ATOM 0 H ALA A 242 11.398 6.989 -0.819 1.00 0.33 H new ATOM 0 HA ALA A 242 12.487 7.324 -3.530 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.563 4.870 -3.764 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.698 5.450 -2.522 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.158 4.700 -2.040 1.00 0.38 H new ATOM 568 N GLU A 243 10.299 6.455 -4.512 1.00 0.26 N ATOM 569 CA GLU A 243 8.969 6.220 -5.027 1.00 0.30 C ATOM 570 C GLU A 243 8.534 4.805 -4.706 1.00 0.25 C ATOM 571 O GLU A 243 9.113 3.837 -5.208 1.00 0.25 O ATOM 572 CB GLU A 243 8.928 6.420 -6.538 1.00 0.39 C ATOM 573 CG GLU A 243 9.144 7.849 -6.980 1.00 0.67 C ATOM 574 CD GLU A 243 9.159 7.978 -8.486 1.00 1.10 C ATOM 575 OE1 GLU A 243 8.294 7.368 -9.149 1.00 1.64 O ATOM 576 OE2 GLU A 243 10.041 8.689 -9.017 1.00 1.56 O ATOM 0 H GLU A 243 11.020 6.548 -5.227 1.00 0.26 H new ATOM 0 HA GLU A 243 8.293 6.934 -4.556 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.690 5.790 -6.997 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.963 6.078 -6.912 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.355 8.479 -6.570 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.087 8.215 -6.575 1.00 0.67 H new ATOM 583 N VAL A 244 7.463 4.682 -3.955 1.00 0.24 N ATOM 584 CA VAL A 244 6.906 3.382 -3.677 1.00 0.21 C ATOM 585 C VAL A 244 5.807 3.074 -4.671 1.00 0.20 C ATOM 586 O VAL A 244 4.833 3.819 -4.797 1.00 0.23 O ATOM 587 CB VAL A 244 6.367 3.258 -2.232 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.516 3.344 -1.239 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.307 4.323 -1.934 1.00 0.27 C ATOM 0 H VAL A 244 6.964 5.463 -3.529 1.00 0.24 H new ATOM 0 HA VAL A 244 7.713 2.656 -3.776 1.00 0.21 H new ATOM 0 HB VAL A 244 5.886 2.285 -2.131 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.127 3.256 -0.224 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.222 2.536 -1.429 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.023 4.302 -1.351 1.00 0.24 H new ATOM 0 HG21 VAL A 244 4.951 4.206 -0.911 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.743 5.314 -2.055 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.471 4.208 -2.624 1.00 0.27 H new ATOM 599 N LYS A 245 5.941 1.953 -5.332 1.00 0.18 N ATOM 600 CA LYS A 245 4.897 1.474 -6.198 1.00 0.19 C ATOM 601 C LYS A 245 4.223 0.332 -5.473 1.00 0.15 C ATOM 602 O LYS A 245 4.788 -0.220 -4.534 1.00 0.16 O ATOM 603 CB LYS A 245 5.455 1.040 -7.561 1.00 0.30 C ATOM 604 CG LYS A 245 5.879 2.196 -8.469 1.00 0.89 C ATOM 605 CD LYS A 245 7.142 2.889 -7.972 1.00 1.51 C ATOM 606 CE LYS A 245 7.670 3.906 -8.976 1.00 2.00 C ATOM 607 NZ LYS A 245 6.747 5.058 -9.167 1.00 2.79 N ATOM 0 H LYS A 245 6.765 1.354 -5.286 1.00 0.18 H new ATOM 0 HA LYS A 245 4.177 2.263 -6.415 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.314 0.389 -7.397 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.700 0.447 -8.077 1.00 0.30 H new ATOM 0 HG2 LYS A 245 6.047 1.820 -9.478 1.00 0.89 H new ATOM 0 HG3 LYS A 245 5.069 2.923 -8.531 1.00 0.89 H new ATOM 0 HD2 LYS A 245 6.933 3.389 -7.026 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.911 2.142 -7.774 1.00 1.51 H new ATOM 0 HE2 LYS A 245 8.639 4.274 -8.638 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.833 3.413 -9.935 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 7.284 5.880 -9.508 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 6.018 4.807 -9.865 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 6.293 5.293 -8.261 1.00 2.79 H new ATOM 621 N TRP A 246 2.964 0.115 -5.714 1.00 0.14 N ATOM 622 CA TRP A 246 2.256 -0.861 -4.917 1.00 0.13 C ATOM 623 C TRP A 246 1.578 -1.847 -5.831 1.00 0.14 C ATOM 624 O TRP A 246 1.739 -1.780 -7.039 1.00 0.14 O ATOM 625 CB TRP A 246 1.287 -0.199 -3.920 1.00 0.14 C ATOM 626 CG TRP A 246 1.978 0.751 -2.968 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.561 1.939 -3.298 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.189 0.598 -1.545 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.101 2.527 -2.191 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.898 1.734 -1.111 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.857 -0.369 -0.592 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.273 1.931 0.213 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.240 -0.162 0.729 1.00 0.15 C ATOM 634 CH2 TRP A 246 2.940 0.980 1.111 1.00 0.15 C ATOM 0 H TRP A 246 2.412 0.582 -6.434 1.00 0.14 H new ATOM 0 HA TRP A 246 2.969 -1.406 -4.299 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.520 0.343 -4.473 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.779 -0.974 -3.346 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.591 2.355 -4.294 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.583 3.426 -2.179 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.314 -1.259 -0.876 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.813 2.817 0.513 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 1.989 -0.902 1.474 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.222 1.107 2.146 1.00 0.15 H new ATOM 645 N LEU A 247 1.116 -2.921 -5.282 1.00 0.15 N ATOM 646 CA LEU A 247 0.636 -4.003 -6.099 1.00 0.14 C ATOM 647 C LEU A 247 -0.785 -4.351 -5.680 1.00 0.15 C ATOM 648 O LEU A 247 -1.053 -4.557 -4.517 1.00 0.16 O ATOM 649 CB LEU A 247 1.576 -5.205 -5.922 1.00 0.15 C ATOM 650 CG LEU A 247 2.430 -5.646 -7.120 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.729 -6.743 -7.905 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.771 -4.473 -8.020 1.00 0.17 C ATOM 0 H LEU A 247 1.058 -3.080 -4.276 1.00 0.15 H new ATOM 0 HA LEU A 247 0.623 -3.719 -7.151 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.252 -4.979 -5.097 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.971 -6.057 -5.614 1.00 0.15 H new ATOM 0 HG LEU A 247 3.366 -6.046 -6.731 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.351 -7.041 -8.749 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.561 -7.603 -7.257 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.772 -6.373 -8.272 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.376 -4.821 -8.857 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.852 -4.025 -8.398 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.331 -3.729 -7.452 1.00 0.17 H new ATOM 664 N LYS A 248 -1.652 -4.556 -6.631 1.00 0.19 N ATOM 665 CA LYS A 248 -2.944 -5.144 -6.336 1.00 0.25 C ATOM 666 C LYS A 248 -2.765 -6.636 -6.507 1.00 0.25 C ATOM 667 O LYS A 248 -1.863 -7.032 -7.234 1.00 0.21 O ATOM 668 CB LYS A 248 -4.014 -4.620 -7.299 1.00 0.34 C ATOM 669 CG LYS A 248 -5.396 -5.218 -7.089 1.00 0.77 C ATOM 670 CD LYS A 248 -6.386 -4.670 -8.104 1.00 0.95 C ATOM 671 CE LYS A 248 -7.787 -5.217 -7.880 1.00 1.57 C ATOM 672 NZ LYS A 248 -7.869 -6.683 -8.110 1.00 2.06 N ATOM 0 H LYS A 248 -1.497 -4.329 -7.613 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.275 -4.890 -5.329 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -4.080 -3.537 -7.194 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.696 -4.822 -8.322 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.344 -6.303 -7.176 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.743 -4.995 -6.080 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.406 -3.582 -8.041 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.053 -4.925 -9.110 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -8.102 -4.994 -6.861 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -8.483 -4.708 -8.547 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -8.861 -6.990 -8.044 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -7.499 -6.907 -9.056 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.305 -7.179 -7.391 1.00 2.06 H new ATOM 686 N ASN A 249 -3.452 -7.454 -5.721 1.00 0.34 N ATOM 687 CA ASN A 249 -3.217 -8.897 -5.768 1.00 0.40 C ATOM 688 C ASN A 249 -3.142 -9.379 -7.223 1.00 0.35 C ATOM 689 O ASN A 249 -4.123 -9.313 -7.962 1.00 0.35 O ATOM 690 CB ASN A 249 -4.301 -9.653 -4.982 1.00 0.61 C ATOM 691 CG ASN A 249 -5.705 -9.463 -5.529 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.170 -10.226 -6.375 1.00 1.38 O ATOM 693 ND2 ASN A 249 -6.380 -8.426 -5.068 1.00 1.19 N ATOM 0 H ASN A 249 -4.164 -7.155 -5.054 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.259 -9.109 -5.293 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -4.062 -10.716 -4.984 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.279 -9.323 -3.943 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -7.321 -8.235 -5.413 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -5.961 -7.816 -4.366 1.00 1.19 H new ATOM 700 N GLY A 250 -1.916 -9.656 -7.667 1.00 0.35 N ATOM 701 CA GLY A 250 -1.665 -9.975 -9.063 1.00 0.35 C ATOM 702 C GLY A 250 -1.425 -8.758 -9.962 1.00 0.33 C ATOM 703 O GLY A 250 -0.552 -8.797 -10.829 1.00 0.39 O ATOM 0 H GLY A 250 -1.084 -9.665 -7.076 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -0.796 -10.631 -9.122 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.515 -10.536 -9.452 1.00 0.35 H new ATOM 707 N GLN A 251 -2.234 -7.712 -9.818 1.00 0.30 N ATOM 708 CA GLN A 251 -2.127 -6.530 -10.686 1.00 0.36 C ATOM 709 C GLN A 251 -1.085 -5.547 -10.155 1.00 0.25 C ATOM 710 O GLN A 251 -1.004 -5.309 -8.967 1.00 0.28 O ATOM 711 CB GLN A 251 -3.483 -5.831 -10.800 1.00 0.52 C ATOM 712 CG GLN A 251 -3.496 -4.633 -11.743 1.00 1.28 C ATOM 713 CD GLN A 251 -3.282 -4.998 -13.204 1.00 2.00 C ATOM 714 OE1 GLN A 251 -3.331 -6.282 -13.522 1.00 2.77 O flip ATOM 715 NE2 GLN A 251 -3.096 -4.120 -14.045 1.00 2.59 N flip ATOM 0 H GLN A 251 -2.969 -7.653 -9.114 1.00 0.30 H new ATOM 0 HA GLN A 251 -1.810 -6.869 -11.672 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.224 -6.554 -11.141 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.793 -5.501 -9.808 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -4.450 -4.115 -11.644 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -2.719 -3.933 -11.436 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -3.065 -3.141 -13.762 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -2.973 -4.371 -15.026 1.00 2.59 H new ATOM 724 N GLU A 252 -0.314 -4.944 -11.034 1.00 0.26 N ATOM 725 CA GLU A 252 0.692 -3.992 -10.592 1.00 0.25 C ATOM 726 C GLU A 252 0.119 -2.588 -10.470 1.00 0.27 C ATOM 727 O GLU A 252 -0.690 -2.158 -11.296 1.00 0.32 O ATOM 728 CB GLU A 252 1.898 -4.037 -11.513 1.00 0.32 C ATOM 729 CG GLU A 252 2.582 -5.388 -11.471 1.00 0.60 C ATOM 730 CD GLU A 252 3.818 -5.445 -12.339 1.00 1.05 C ATOM 731 OE1 GLU A 252 3.683 -5.366 -13.577 1.00 1.49 O ATOM 732 OE2 GLU A 252 4.929 -5.573 -11.790 1.00 1.60 O ATOM 0 H GLU A 252 -0.359 -5.089 -12.043 1.00 0.26 H new ATOM 0 HA GLU A 252 1.022 -4.279 -9.593 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.585 -3.819 -12.534 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.606 -3.261 -11.224 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.855 -5.620 -10.442 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.880 -6.156 -11.795 1.00 0.60 H new ATOM 739 N ILE A 253 0.427 -1.951 -9.346 1.00 0.23 N ATOM 740 CA ILE A 253 -0.155 -0.669 -8.986 1.00 0.27 C ATOM 741 C ILE A 253 0.896 0.451 -8.993 1.00 0.28 C ATOM 742 O ILE A 253 1.886 0.430 -8.244 1.00 0.28 O ATOM 743 CB ILE A 253 -0.845 -0.804 -7.605 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.295 -1.249 -7.769 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.758 0.457 -6.768 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.959 -1.588 -6.454 1.00 0.33 C ATOM 0 H ILE A 253 1.089 -2.312 -8.659 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.900 -0.389 -9.731 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.297 -1.572 -7.059 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.859 -0.457 -8.262 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.331 -2.120 -8.423 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.260 0.296 -5.814 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.289 0.704 -6.590 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.240 1.279 -7.297 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.988 -1.898 -6.635 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.416 -2.400 -5.971 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.953 -0.711 -5.806 1.00 0.33 H new ATOM 758 N GLN A 254 0.694 1.416 -9.874 1.00 0.36 N ATOM 759 CA GLN A 254 1.619 2.525 -10.012 1.00 0.43 C ATOM 760 C GLN A 254 1.339 3.596 -8.957 1.00 0.61 C ATOM 761 O GLN A 254 1.687 3.428 -7.789 1.00 1.42 O ATOM 762 CB GLN A 254 1.545 3.109 -11.429 1.00 0.70 C ATOM 763 CG GLN A 254 2.658 4.106 -11.732 1.00 1.00 C ATOM 764 CD GLN A 254 4.051 3.528 -11.538 1.00 1.75 C ATOM 765 OE1 GLN A 254 4.966 4.231 -11.112 1.00 2.63 O ATOM 766 NE2 GLN A 254 4.238 2.262 -11.885 1.00 2.21 N ATOM 0 H GLN A 254 -0.106 1.453 -10.506 1.00 0.36 H new ATOM 0 HA GLN A 254 2.632 2.156 -9.851 1.00 0.43 H new ATOM 0 HB2 GLN A 254 1.590 2.295 -12.152 1.00 0.70 H new ATOM 0 HB3 GLN A 254 0.581 3.600 -11.562 1.00 0.70 H new ATOM 0 HG2 GLN A 254 2.556 4.453 -12.760 1.00 1.00 H new ATOM 0 HG3 GLN A 254 2.541 4.978 -11.088 1.00 1.00 H new ATOM 0 HE21 GLN A 254 3.456 1.708 -12.235 1.00 2.21 H new ATOM 0 HE22 GLN A 254 5.164 1.842 -11.802 1.00 2.21 H new ATOM 775 N MET A 255 0.744 4.707 -9.382 1.00 0.59 N ATOM 776 CA MET A 255 0.463 5.830 -8.497 1.00 0.61 C ATOM 777 C MET A 255 -0.309 6.899 -9.259 1.00 0.65 C ATOM 778 O MET A 255 -0.095 7.079 -10.460 1.00 0.95 O ATOM 779 CB MET A 255 1.766 6.419 -7.936 1.00 0.95 C ATOM 780 CG MET A 255 2.696 6.981 -8.998 1.00 1.58 C ATOM 781 SD MET A 255 4.355 7.305 -8.370 1.00 2.30 S ATOM 782 CE MET A 255 5.097 8.101 -9.793 1.00 2.61 C ATOM 0 H MET A 255 0.445 4.853 -10.346 1.00 0.59 H new ATOM 0 HA MET A 255 -0.139 5.475 -7.660 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.520 7.210 -7.227 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.293 5.644 -7.379 1.00 0.95 H new ATOM 0 HG2 MET A 255 2.757 6.279 -9.830 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.274 7.906 -9.392 1.00 1.58 H new ATOM 0 HE1 MET A 255 6.046 8.553 -9.504 1.00 2.61 H new ATOM 0 HE2 MET A 255 5.271 7.361 -10.574 1.00 2.61 H new ATOM 0 HE3 MET A 255 4.426 8.874 -10.168 1.00 2.61 H new ATOM 792 N SER A 256 -1.250 7.552 -8.588 1.00 0.57 N ATOM 793 CA SER A 256 -2.087 8.554 -9.235 1.00 0.69 C ATOM 794 C SER A 256 -2.827 9.392 -8.190 1.00 1.00 C ATOM 795 O SER A 256 -2.436 9.426 -7.021 1.00 1.47 O ATOM 796 CB SER A 256 -3.096 7.861 -10.156 1.00 0.76 C ATOM 797 OG SER A 256 -3.520 8.723 -11.204 1.00 1.64 O ATOM 0 H SER A 256 -1.452 7.406 -7.599 1.00 0.57 H new ATOM 0 HA SER A 256 -1.452 9.217 -9.823 1.00 0.69 H new ATOM 0 HB2 SER A 256 -2.646 6.964 -10.581 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.960 7.540 -9.575 1.00 0.76 H new ATOM 0 HG SER A 256 -4.162 8.252 -11.776 1.00 1.64 H new ATOM 803 N GLY A 257 -3.899 10.055 -8.615 1.00 1.01 N ATOM 804 CA GLY A 257 -4.695 10.868 -7.713 1.00 1.41 C ATOM 805 C GLY A 257 -5.994 10.189 -7.324 1.00 1.28 C ATOM 806 O GLY A 257 -6.402 10.230 -6.166 1.00 1.69 O ATOM 0 H GLY A 257 -4.233 10.043 -9.579 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -4.116 11.083 -6.815 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.915 11.824 -8.187 1.00 1.41 H new ATOM 810 N SER A 258 -6.658 9.587 -8.301 1.00 1.07 N ATOM 811 CA SER A 258 -7.919 8.896 -8.065 1.00 0.96 C ATOM 812 C SER A 258 -7.698 7.689 -7.154 1.00 0.74 C ATOM 813 O SER A 258 -8.479 7.436 -6.235 1.00 1.14 O ATOM 814 CB SER A 258 -8.532 8.450 -9.398 1.00 1.08 C ATOM 815 OG SER A 258 -9.852 7.958 -9.222 1.00 1.77 O ATOM 0 H SER A 258 -6.342 9.563 -9.271 1.00 1.07 H new ATOM 0 HA SER A 258 -8.609 9.582 -7.573 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.545 9.289 -10.093 1.00 1.08 H new ATOM 0 HB3 SER A 258 -7.910 7.675 -9.845 1.00 1.08 H new ATOM 0 HG SER A 258 -10.217 7.683 -10.089 1.00 1.77 H new ATOM 821 N LYS A 259 -6.595 6.991 -7.388 1.00 0.51 N ATOM 822 CA LYS A 259 -6.205 5.840 -6.588 1.00 0.37 C ATOM 823 C LYS A 259 -4.689 5.777 -6.504 1.00 0.33 C ATOM 824 O LYS A 259 -4.006 6.387 -7.326 1.00 0.45 O ATOM 825 CB LYS A 259 -6.732 4.538 -7.202 1.00 0.48 C ATOM 826 CG LYS A 259 -8.218 4.306 -6.999 1.00 1.11 C ATOM 827 CD LYS A 259 -8.603 2.879 -7.348 1.00 1.59 C ATOM 828 CE LYS A 259 -10.015 2.561 -6.890 1.00 2.02 C ATOM 829 NZ LYS A 259 -10.385 1.142 -7.138 1.00 2.41 N ATOM 0 H LYS A 259 -5.943 7.209 -8.142 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.634 5.951 -5.592 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.520 4.543 -8.271 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.184 3.700 -6.772 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.483 4.514 -5.962 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.785 5.001 -7.619 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -8.526 2.732 -8.425 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -7.902 2.187 -6.881 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -10.106 2.777 -5.825 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -10.718 3.213 -7.409 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -11.411 1.025 -7.018 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -10.117 0.878 -8.108 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -9.885 0.530 -6.462 1.00 2.41 H new ATOM 843 N TYR A 260 -4.172 4.983 -5.560 1.00 0.24 N ATOM 844 CA TYR A 260 -2.726 4.765 -5.434 1.00 0.27 C ATOM 845 C TYR A 260 -1.994 6.092 -5.225 1.00 0.27 C ATOM 846 O TYR A 260 -1.083 6.440 -5.974 1.00 0.29 O ATOM 847 CB TYR A 260 -2.164 4.050 -6.676 1.00 0.33 C ATOM 848 CG TYR A 260 -3.129 3.077 -7.328 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.829 2.140 -6.576 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.352 3.113 -8.698 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.720 1.268 -7.172 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.241 2.244 -9.301 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.922 1.324 -8.533 1.00 0.95 C ATOM 854 OH TYR A 260 -5.812 0.460 -9.128 1.00 1.24 O ATOM 0 H TYR A 260 -4.733 4.481 -4.872 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.563 4.130 -4.563 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.871 4.800 -7.411 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.260 3.511 -6.392 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.674 2.093 -5.508 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.821 3.833 -9.303 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.255 0.546 -6.573 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.401 2.285 -10.368 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.839 0.631 -10.093 1.00 1.24 H new ATOM 864 N ILE A 261 -2.429 6.844 -4.234 1.00 0.26 N ATOM 865 CA ILE A 261 -1.838 8.137 -3.934 1.00 0.27 C ATOM 866 C ILE A 261 -0.606 7.969 -3.050 1.00 0.28 C ATOM 867 O ILE A 261 -0.700 7.457 -1.940 1.00 0.35 O ATOM 868 CB ILE A 261 -2.854 9.039 -3.211 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.135 9.181 -4.032 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.256 10.397 -2.924 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.223 9.946 -3.312 1.00 0.39 C ATOM 0 H ILE A 261 -3.197 6.580 -3.616 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.548 8.600 -4.877 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.107 8.568 -2.261 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.904 9.687 -4.969 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.506 8.189 -4.288 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.992 11.018 -2.413 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.376 10.281 -2.291 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.968 10.873 -3.861 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.105 10.011 -3.949 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.481 9.429 -2.388 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.869 10.950 -3.079 1.00 0.39 H new ATOM 883 N PHE A 262 0.542 8.414 -3.523 1.00 0.30 N ATOM 884 CA PHE A 262 1.767 8.299 -2.744 1.00 0.32 C ATOM 885 C PHE A 262 1.835 9.372 -1.656 1.00 0.30 C ATOM 886 O PHE A 262 1.441 10.520 -1.870 1.00 0.37 O ATOM 887 CB PHE A 262 3.000 8.357 -3.659 1.00 0.46 C ATOM 888 CG PHE A 262 3.036 9.537 -4.596 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.425 10.785 -4.138 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.659 9.403 -5.923 1.00 0.84 C ATOM 891 CE1 PHE A 262 3.443 11.876 -4.986 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.679 10.489 -6.775 1.00 1.09 C ATOM 893 CZ PHE A 262 3.132 11.697 -6.341 1.00 1.18 C ATOM 0 H PHE A 262 0.656 8.856 -4.435 1.00 0.30 H new ATOM 0 HA PHE A 262 1.760 7.329 -2.247 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.895 8.377 -3.038 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.041 7.441 -4.249 1.00 0.46 H new ATOM 0 HD1 PHE A 262 3.718 10.907 -3.106 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.346 8.438 -6.295 1.00 0.84 H new ATOM 0 HE1 PHE A 262 3.694 12.856 -4.609 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.333 10.379 -7.792 1.00 1.09 H new ATOM 0 HZ PHE A 262 3.251 12.514 -7.037 1.00 1.18 H new ATOM 903 N GLU A 263 2.288 8.973 -0.471 1.00 0.26 N ATOM 904 CA GLU A 263 2.398 9.885 0.659 1.00 0.30 C ATOM 905 C GLU A 263 3.600 9.508 1.517 1.00 0.28 C ATOM 906 O GLU A 263 3.885 8.323 1.706 1.00 0.33 O ATOM 907 CB GLU A 263 1.111 9.854 1.486 1.00 0.37 C ATOM 908 CG GLU A 263 1.103 10.832 2.648 1.00 0.56 C ATOM 909 CD GLU A 263 -0.283 11.047 3.206 1.00 1.07 C ATOM 910 OE1 GLU A 263 -1.177 11.487 2.457 1.00 1.79 O ATOM 911 OE2 GLU A 263 -0.487 10.772 4.408 1.00 1.73 O ATOM 0 H GLU A 263 2.586 8.018 -0.270 1.00 0.26 H new ATOM 0 HA GLU A 263 2.543 10.899 0.287 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.266 10.073 0.833 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.963 8.845 1.872 1.00 0.37 H new ATOM 0 HG2 GLU A 263 1.756 10.460 3.437 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.512 11.787 2.319 1.00 0.56 H new ATOM 918 N SER A 264 4.368 10.507 1.920 1.00 0.34 N ATOM 919 CA SER A 264 5.615 10.281 2.636 1.00 0.36 C ATOM 920 C SER A 264 5.570 10.906 4.022 1.00 0.34 C ATOM 921 O SER A 264 5.301 12.101 4.164 1.00 0.39 O ATOM 922 CB SER A 264 6.765 10.892 1.842 1.00 0.46 C ATOM 923 OG SER A 264 6.577 10.697 0.451 1.00 1.41 O ATOM 0 H SER A 264 4.148 11.490 1.762 1.00 0.34 H new ATOM 0 HA SER A 264 5.762 9.207 2.749 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.836 11.958 2.058 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.707 10.441 2.153 1.00 0.46 H new ATOM 0 HG SER A 264 7.325 11.098 -0.040 1.00 1.41 H new ATOM 929 N ILE A 265 5.843 10.105 5.044 1.00 0.31 N ATOM 930 CA ILE A 265 5.847 10.596 6.415 1.00 0.34 C ATOM 931 C ILE A 265 7.108 10.136 7.149 1.00 0.38 C ATOM 932 O ILE A 265 7.144 9.036 7.707 1.00 0.42 O ATOM 933 CB ILE A 265 4.602 10.107 7.193 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.318 10.442 6.423 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.565 10.730 8.583 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.063 9.866 7.041 1.00 1.31 C ATOM 0 H ILE A 265 6.064 9.114 4.949 1.00 0.31 H new ATOM 0 HA ILE A 265 5.828 11.685 6.368 1.00 0.34 H new ATOM 0 HB ILE A 265 4.667 9.024 7.299 1.00 0.42 H new ATOM 0 HG12 ILE A 265 3.216 11.525 6.361 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.411 10.071 5.402 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.683 10.376 9.117 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.462 10.445 9.133 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.524 11.816 8.494 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.199 10.147 6.439 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.142 8.779 7.078 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.943 10.256 8.052 1.00 1.31 H new ATOM 948 N GLY A 266 8.134 10.986 7.145 1.00 0.48 N ATOM 949 CA GLY A 266 9.373 10.686 7.853 1.00 0.65 C ATOM 950 C GLY A 266 9.918 9.305 7.538 1.00 0.86 C ATOM 951 O GLY A 266 9.992 8.453 8.431 1.00 1.93 O ATOM 0 H GLY A 266 8.130 11.884 6.661 1.00 0.48 H new ATOM 0 HA2 GLY A 266 10.123 11.434 7.594 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.200 10.766 8.926 1.00 0.65 H new ATOM 955 N ALA A 267 10.137 9.046 6.246 1.00 0.48 N ATOM 956 CA ALA A 267 10.522 7.725 5.736 1.00 0.39 C ATOM 957 C ALA A 267 9.328 6.797 5.664 1.00 0.30 C ATOM 958 O ALA A 267 9.211 6.014 4.721 1.00 0.32 O ATOM 959 CB ALA A 267 11.613 7.069 6.557 1.00 0.44 C ATOM 0 H ALA A 267 10.051 9.754 5.517 1.00 0.48 H new ATOM 0 HA ALA A 267 10.916 7.898 4.734 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.854 6.095 6.130 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.503 7.699 6.549 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.269 6.940 7.583 1.00 0.44 H new ATOM 965 N LYS A 268 8.450 6.866 6.657 1.00 0.26 N ATOM 966 CA LYS A 268 7.280 6.021 6.660 1.00 0.25 C ATOM 967 C LYS A 268 6.396 6.396 5.492 1.00 0.29 C ATOM 968 O LYS A 268 5.876 7.508 5.403 1.00 0.47 O ATOM 969 CB LYS A 268 6.530 6.116 7.985 1.00 0.28 C ATOM 970 CG LYS A 268 7.313 5.534 9.150 1.00 0.30 C ATOM 971 CD LYS A 268 6.550 5.676 10.456 1.00 0.41 C ATOM 972 CE LYS A 268 7.336 5.105 11.623 1.00 1.20 C ATOM 973 NZ LYS A 268 6.643 5.316 12.921 1.00 2.00 N ATOM 0 H LYS A 268 8.531 7.493 7.458 1.00 0.26 H new ATOM 0 HA LYS A 268 7.588 4.981 6.551 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.301 7.161 8.193 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.578 5.593 7.896 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.521 4.481 8.961 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.275 6.039 9.232 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.335 6.729 10.641 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.591 5.164 10.376 1.00 0.41 H new ATOM 0 HE2 LYS A 268 7.493 4.038 11.466 1.00 1.20 H new ATOM 0 HE3 LYS A 268 8.321 5.571 11.659 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 7.215 4.911 13.690 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 6.515 6.335 13.085 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 5.714 4.850 12.898 1.00 2.00 H new ATOM 987 N ARG A 269 6.366 5.512 4.523 1.00 0.16 N ATOM 988 CA ARG A 269 5.686 5.770 3.289 1.00 0.16 C ATOM 989 C ARG A 269 4.258 5.269 3.361 1.00 0.18 C ATOM 990 O ARG A 269 3.960 4.329 4.090 1.00 0.17 O ATOM 991 CB ARG A 269 6.429 5.112 2.135 1.00 0.20 C ATOM 992 CG ARG A 269 5.898 5.507 0.786 1.00 0.53 C ATOM 993 CD ARG A 269 6.246 6.947 0.421 1.00 0.79 C ATOM 994 NE ARG A 269 7.647 7.277 0.689 1.00 0.69 N ATOM 995 CZ ARG A 269 8.345 8.185 -0.004 1.00 0.97 C ATOM 996 NH1 ARG A 269 7.853 8.703 -1.122 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.546 8.565 0.409 1.00 1.17 N ATOM 0 H ARG A 269 6.813 4.597 4.574 1.00 0.16 H new ATOM 0 HA ARG A 269 5.663 6.846 3.117 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.485 5.376 2.194 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.365 4.029 2.241 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.303 4.836 0.029 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.815 5.384 0.775 1.00 0.53 H new ATOM 0 HD2 ARG A 269 6.035 7.110 -0.636 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.604 7.625 0.983 1.00 0.79 H new ATOM 0 HE ARG A 269 8.119 6.786 1.448 1.00 0.69 H new ATOM 0 HH11 ARG A 269 6.936 8.410 -1.460 1.00 1.85 H new ATOM 0 HH12 ARG A 269 8.392 9.394 -1.644 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.943 8.165 1.259 1.00 1.17 H new ATOM 0 HH22 ARG A 269 10.073 9.257 -0.123 1.00 1.17 H new ATOM 1011 N THR A 270 3.364 5.969 2.702 1.00 0.18 N ATOM 1012 CA THR A 270 1.966 5.619 2.741 1.00 0.18 C ATOM 1013 C THR A 270 1.343 5.661 1.353 1.00 0.19 C ATOM 1014 O THR A 270 1.467 6.654 0.629 1.00 0.22 O ATOM 1015 CB THR A 270 1.199 6.565 3.685 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.643 6.376 5.037 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.295 6.332 3.602 1.00 0.24 C ATOM 0 H THR A 270 3.582 6.786 2.132 1.00 0.18 H new ATOM 0 HA THR A 270 1.894 4.599 3.118 1.00 0.18 H new ATOM 0 HB THR A 270 1.403 7.589 3.373 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.021 5.781 5.506 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.808 7.015 4.280 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.635 6.510 2.582 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.519 5.303 3.885 1.00 0.24 H new ATOM 1025 N LEU A 271 0.632 4.594 1.012 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.117 4.547 -0.229 1.00 0.17 C ATOM 1027 C LEU A 271 -1.581 4.870 0.054 1.00 0.16 C ATOM 1028 O LEU A 271 -2.325 4.021 0.528 1.00 0.17 O ATOM 1029 CB LEU A 271 0.005 3.164 -0.877 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.472 3.045 -2.335 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.979 2.856 -2.414 1.00 0.56 C ATOM 1032 CD2 LEU A 271 -0.039 4.261 -3.139 1.00 0.49 C ATOM 0 H LEU A 271 0.561 3.750 1.581 1.00 0.17 H new ATOM 0 HA LEU A 271 0.290 5.284 -0.921 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.050 2.858 -0.834 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.560 2.453 -0.274 1.00 0.20 H new ATOM 0 HG LEU A 271 -0.006 2.159 -2.767 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.281 2.776 -3.458 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.260 1.946 -1.884 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.477 3.711 -1.957 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.385 4.159 -4.168 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.469 5.160 -2.699 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.048 4.336 -3.128 1.00 0.49 H new ATOM 1044 N THR A 272 -1.995 6.078 -0.242 1.00 0.18 N ATOM 1045 CA THR A 272 -3.372 6.471 -0.030 1.00 0.21 C ATOM 1046 C THR A 272 -4.245 5.986 -1.182 1.00 0.22 C ATOM 1047 O THR A 272 -4.138 6.458 -2.310 1.00 0.29 O ATOM 1048 CB THR A 272 -3.493 7.998 0.123 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.511 8.466 1.060 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.879 8.383 0.611 1.00 0.30 C ATOM 0 H THR A 272 -1.399 6.809 -0.631 1.00 0.18 H new ATOM 0 HA THR A 272 -3.717 6.008 0.894 1.00 0.21 H new ATOM 0 HB THR A 272 -3.326 8.458 -0.851 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.587 9.438 1.156 1.00 0.33 H new ATOM 0 HG21 THR A 272 -4.941 9.467 0.712 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.625 8.042 -0.107 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.066 7.917 1.579 1.00 0.30 H new ATOM 1058 N ILE A 273 -5.075 5.008 -0.902 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.951 4.448 -1.910 1.00 0.26 C ATOM 1060 C ILE A 273 -7.375 4.962 -1.697 1.00 0.28 C ATOM 1061 O ILE A 273 -7.932 4.864 -0.596 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.878 2.887 -1.916 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.523 2.375 -3.314 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.171 2.231 -1.442 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.637 2.539 -4.324 1.00 0.86 C ATOM 0 H ILE A 273 -5.164 4.581 0.020 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.619 4.775 -2.895 1.00 0.26 H new ATOM 0 HB ILE A 273 -5.096 2.610 -1.209 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.640 2.905 -3.672 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.257 1.320 -3.248 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -7.060 1.147 -1.468 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.388 2.549 -0.422 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.991 2.527 -2.097 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.312 2.154 -5.290 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.515 1.986 -3.990 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.888 3.595 -4.420 1.00 0.86 H new ATOM 1077 N SER A 274 -7.891 5.642 -2.708 1.00 0.33 N ATOM 1078 CA SER A 274 -9.204 6.258 -2.627 1.00 0.39 C ATOM 1079 C SER A 274 -10.200 5.490 -3.483 1.00 0.45 C ATOM 1080 O SER A 274 -9.792 4.691 -4.326 1.00 0.50 O ATOM 1081 CB SER A 274 -9.129 7.723 -3.051 1.00 0.52 C ATOM 1082 OG SER A 274 -8.269 8.449 -2.188 1.00 1.13 O ATOM 0 H SER A 274 -7.416 5.781 -3.600 1.00 0.33 H new ATOM 0 HA SER A 274 -9.548 6.223 -1.593 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.767 7.792 -4.077 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.126 8.163 -3.035 1.00 0.52 H new ATOM 0 HG SER A 274 -7.977 9.271 -2.634 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.493 5.653 -3.188 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.541 4.877 -3.847 1.00 0.62 C ATOM 1090 C GLN A 275 -12.261 3.399 -3.664 1.00 0.62 C ATOM 1091 O GLN A 275 -11.940 2.679 -4.607 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.657 5.235 -5.327 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.133 6.656 -5.553 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.494 6.923 -6.996 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -14.334 6.234 -7.576 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -12.878 7.930 -7.583 1.00 2.27 N ATOM 0 H GLN A 275 -11.837 6.318 -2.495 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.499 5.120 -3.386 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.687 5.102 -5.805 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.348 4.544 -5.810 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -14.001 6.849 -4.923 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.353 7.351 -5.243 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -12.188 8.476 -7.067 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -13.091 8.163 -8.553 1.00 2.27 H new ATOM 1105 N CYS A 276 -12.313 2.981 -2.417 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.958 1.651 -2.030 1.00 0.69 C ATOM 1107 C CYS A 276 -12.738 1.329 -0.803 1.00 0.75 C ATOM 1108 O CYS A 276 -12.760 2.103 0.159 1.00 1.27 O ATOM 1109 CB CYS A 276 -10.458 1.562 -1.753 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.933 0.026 -0.959 1.00 2.00 S ATOM 0 H CYS A 276 -12.609 3.572 -1.640 1.00 0.60 H new ATOM 0 HA CYS A 276 -12.185 0.941 -2.825 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.920 1.672 -2.695 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -10.168 2.401 -1.121 1.00 0.80 H new ATOM 0 HG CYS A 276 -10.979 -0.653 -0.593 1.00 2.00 H new ATOM 1116 N SER A 277 -13.556 0.337 -0.930 1.00 0.54 N ATOM 1117 CA SER A 277 -14.477 0.020 0.103 1.00 0.52 C ATOM 1118 C SER A 277 -14.850 -1.449 0.002 1.00 0.48 C ATOM 1119 O SER A 277 -13.976 -2.296 -0.190 1.00 0.47 O ATOM 1120 CB SER A 277 -15.713 0.913 -0.012 1.00 0.56 C ATOM 1121 OG SER A 277 -16.258 0.864 -1.321 1.00 0.63 O ATOM 0 H SER A 277 -13.603 -0.271 -1.748 1.00 0.54 H new ATOM 0 HA SER A 277 -14.023 0.199 1.078 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.464 0.594 0.710 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.448 1.941 0.237 1.00 0.56 H new ATOM 0 HG SER A 277 -17.048 1.442 -1.368 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.144 -1.741 0.044 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.625 -3.108 -0.069 1.00 0.54 C ATOM 1129 C LEU A 278 -16.536 -3.627 -1.514 1.00 0.58 C ATOM 1130 O LEU A 278 -17.512 -4.151 -2.054 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.068 -3.208 0.432 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.232 -3.757 1.850 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.763 -5.202 1.919 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.463 -2.904 2.845 1.00 0.79 C ATOM 0 H LEU A 278 -16.880 -1.044 0.156 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.982 -3.732 0.552 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.519 -2.217 0.390 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.630 -3.843 -0.253 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.290 -3.723 2.111 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.887 -5.577 2.935 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.354 -5.810 1.234 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.711 -5.257 1.638 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.592 -3.310 3.848 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.404 -2.907 2.585 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.841 -1.882 2.816 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.366 -3.479 -2.127 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.139 -3.929 -3.497 1.00 0.61 C ATOM 1148 C ALA A 279 -13.649 -4.139 -3.752 1.00 0.58 C ATOM 1149 O ALA A 279 -13.231 -5.205 -4.209 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.712 -2.931 -4.491 1.00 0.71 C ATOM 0 H ALA A 279 -14.552 -3.046 -1.691 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.651 -4.882 -3.633 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.532 -3.285 -5.506 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.785 -2.829 -4.327 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.230 -1.963 -4.354 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.840 -3.138 -3.404 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.386 -3.239 -3.547 1.00 0.59 C ATOM 1158 C ASP A 280 -10.801 -4.189 -2.506 1.00 0.50 C ATOM 1159 O ASP A 280 -9.616 -4.522 -2.549 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.731 -1.864 -3.426 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.753 -1.080 -4.726 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -11.855 -0.847 -5.269 1.00 1.84 O ATOM 1163 OD2 ASP A 280 -9.671 -0.692 -5.215 1.00 1.77 O ATOM 0 H ASP A 280 -13.165 -2.250 -3.022 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.177 -3.639 -4.539 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.243 -1.290 -2.653 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.698 -1.987 -3.100 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.660 -4.650 -1.605 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.287 -5.617 -0.575 1.00 0.33 C ATOM 1170 C ASP A 281 -10.701 -6.878 -1.213 1.00 0.34 C ATOM 1171 O ASP A 281 -11.363 -7.529 -2.027 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.532 -5.957 0.258 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.297 -6.998 1.340 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -12.011 -8.165 0.994 1.00 0.81 O ATOM 1175 OD2 ASP A 281 -12.346 -6.646 2.539 1.00 1.12 O ATOM 0 H ASP A 281 -12.638 -4.364 -1.566 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.523 -5.188 0.073 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -12.903 -5.044 0.723 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.315 -6.315 -0.410 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.463 -7.203 -0.836 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.746 -8.377 -1.345 1.00 0.37 C ATOM 1182 C ALA A 282 -7.318 -8.402 -0.797 1.00 0.35 C ATOM 1183 O ALA A 282 -7.104 -8.731 0.369 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.730 -8.406 -2.867 1.00 0.48 C ATOM 0 H ALA A 282 -8.925 -6.656 -0.164 1.00 0.31 H new ATOM 0 HA ALA A 282 -9.275 -9.266 -1.003 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -8.190 -9.289 -3.208 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.753 -8.439 -3.241 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.235 -7.511 -3.243 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.343 -8.024 -1.627 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.952 -7.920 -1.187 1.00 0.17 C ATOM 1192 C ALA A 283 -4.195 -6.873 -2.003 1.00 0.15 C ATOM 1193 O ALA A 283 -4.256 -6.884 -3.239 1.00 0.19 O ATOM 1194 CB ALA A 283 -4.254 -9.270 -1.273 1.00 0.22 C ATOM 0 H ALA A 283 -6.492 -7.785 -2.607 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.955 -7.601 -0.145 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -3.221 -9.167 -0.941 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.770 -9.988 -0.636 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -4.270 -9.623 -2.304 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.395 -6.053 -1.320 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.509 -5.096 -1.992 1.00 0.13 C ATOM 1202 C TYR A 284 -1.066 -5.288 -1.506 1.00 0.14 C ATOM 1203 O TYR A 284 -0.773 -5.133 -0.329 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.939 -3.625 -1.758 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.067 -3.112 -2.654 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.023 -3.970 -3.177 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.152 -1.756 -2.996 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.029 -3.505 -4.004 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.153 -1.291 -3.827 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.087 -2.167 -4.327 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.073 -1.707 -5.172 1.00 0.41 O ATOM 0 H TYR A 284 -3.341 -6.031 -0.302 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.577 -5.294 -3.062 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.249 -3.518 -0.718 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.068 -2.985 -1.899 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.981 -5.021 -2.934 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.423 -1.063 -2.603 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.767 -4.189 -4.396 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.202 -0.243 -4.083 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.865 -1.464 -4.649 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.165 -5.581 -2.429 1.00 0.13 N ATOM 1222 CA GLN A 285 1.246 -5.726 -2.133 1.00 0.13 C ATOM 1223 C GLN A 285 1.951 -4.372 -2.207 1.00 0.12 C ATOM 1224 O GLN A 285 1.396 -3.404 -2.724 1.00 0.13 O ATOM 1225 CB GLN A 285 1.911 -6.697 -3.118 1.00 0.12 C ATOM 1226 CG GLN A 285 1.299 -8.087 -3.144 1.00 0.15 C ATOM 1227 CD GLN A 285 0.044 -8.189 -3.988 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.153 -7.245 -4.896 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.732 -9.131 -3.844 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.397 -5.726 -3.412 1.00 0.13 H new ATOM 0 HA GLN A 285 1.335 -6.125 -1.123 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.857 -6.271 -4.120 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.968 -6.784 -2.865 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.039 -8.792 -3.523 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.064 -8.389 -2.123 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.548 -9.840 -3.134 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.560 -9.204 -4.435 1.00 0.18 H new ATOM 1238 N CYS A 286 3.188 -4.327 -1.741 1.00 0.14 N ATOM 1239 CA CYS A 286 3.981 -3.101 -1.786 1.00 0.19 C ATOM 1240 C CYS A 286 5.283 -3.329 -2.501 1.00 0.19 C ATOM 1241 O CYS A 286 5.783 -4.445 -2.500 1.00 0.20 O ATOM 1242 CB CYS A 286 4.256 -2.619 -0.398 1.00 0.28 C ATOM 1243 SG CYS A 286 5.227 -3.751 0.623 1.00 1.00 S ATOM 0 H CYS A 286 3.669 -5.125 -1.326 1.00 0.14 H new ATOM 0 HA CYS A 286 3.410 -2.349 -2.330 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.781 -1.666 -0.458 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.305 -2.429 0.100 1.00 0.28 H new ATOM 0 HG CYS A 286 6.338 -3.174 0.974 1.00 1.00 H new ATOM 1249 N VAL A 287 5.681 -2.371 -3.330 1.00 0.20 N ATOM 1250 CA VAL A 287 6.724 -2.659 -4.284 1.00 0.21 C ATOM 1251 C VAL A 287 7.682 -1.483 -4.524 1.00 0.22 C ATOM 1252 O VAL A 287 7.293 -0.348 -4.831 1.00 0.24 O ATOM 1253 CB VAL A 287 6.090 -3.190 -5.606 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.601 -3.464 -5.395 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.304 -2.260 -6.793 1.00 0.27 C ATOM 0 H VAL A 287 5.308 -1.422 -3.357 1.00 0.20 H new ATOM 0 HA VAL A 287 7.355 -3.438 -3.857 1.00 0.21 H new ATOM 0 HB VAL A 287 6.604 -4.119 -5.854 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.164 -3.835 -6.322 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.476 -4.211 -4.611 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.099 -2.542 -5.101 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.838 -2.689 -7.680 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.855 -1.290 -6.581 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.372 -2.135 -6.969 1.00 0.27 H new ATOM 1265 N VAL A 288 8.959 -1.796 -4.418 1.00 0.24 N ATOM 1266 CA VAL A 288 10.024 -0.845 -4.675 1.00 0.26 C ATOM 1267 C VAL A 288 11.176 -1.574 -5.353 1.00 0.33 C ATOM 1268 O VAL A 288 11.704 -2.553 -4.816 1.00 0.37 O ATOM 1269 CB VAL A 288 10.528 -0.167 -3.376 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.877 0.492 -3.589 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.530 0.865 -2.882 1.00 0.36 C ATOM 0 H VAL A 288 9.289 -2.723 -4.149 1.00 0.24 H new ATOM 0 HA VAL A 288 9.631 -0.058 -5.319 1.00 0.26 H new ATOM 0 HB VAL A 288 10.635 -0.947 -2.623 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.204 0.959 -2.660 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.605 -0.260 -3.894 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.792 1.251 -4.367 1.00 0.31 H new ATOM 0 HG21 VAL A 288 9.906 1.327 -1.969 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.390 1.630 -3.645 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.576 0.379 -2.676 1.00 0.36 H new ATOM 1281 N GLY A 289 11.482 -1.172 -6.578 1.00 0.43 N ATOM 1282 CA GLY A 289 12.492 -1.862 -7.354 1.00 0.57 C ATOM 1283 C GLY A 289 12.051 -3.255 -7.764 1.00 0.73 C ATOM 1284 O GLY A 289 12.831 -4.208 -7.697 1.00 1.51 O ATOM 0 H GLY A 289 11.048 -0.378 -7.049 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.723 -1.279 -8.246 1.00 0.57 H new ATOM 0 HA3 GLY A 289 13.411 -1.931 -6.771 1.00 0.57 H new ATOM 1288 N GLY A 290 10.792 -3.376 -8.178 1.00 0.41 N ATOM 1289 CA GLY A 290 10.264 -4.656 -8.623 1.00 0.41 C ATOM 1290 C GLY A 290 9.803 -5.550 -7.484 1.00 0.37 C ATOM 1291 O GLY A 290 8.920 -6.387 -7.669 1.00 0.64 O ATOM 0 H GLY A 290 10.124 -2.606 -8.213 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.426 -4.480 -9.298 1.00 0.41 H new ATOM 0 HA3 GLY A 290 11.031 -5.177 -9.196 1.00 0.41 H new ATOM 1295 N GLU A 291 10.449 -5.422 -6.334 1.00 0.27 N ATOM 1296 CA GLU A 291 10.138 -6.244 -5.165 1.00 0.22 C ATOM 1297 C GLU A 291 8.728 -5.945 -4.646 1.00 0.16 C ATOM 1298 O GLU A 291 8.426 -4.796 -4.361 1.00 0.19 O ATOM 1299 CB GLU A 291 11.172 -5.959 -4.062 1.00 0.26 C ATOM 1300 CG GLU A 291 12.576 -6.430 -4.403 1.00 0.53 C ATOM 1301 CD GLU A 291 13.583 -6.099 -3.319 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.480 -6.677 -2.216 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.486 -5.269 -3.564 1.00 2.11 O ATOM 0 H GLU A 291 11.201 -4.750 -6.181 1.00 0.27 H new ATOM 0 HA GLU A 291 10.178 -7.295 -5.451 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.196 -4.887 -3.867 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.850 -6.444 -3.140 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.564 -7.508 -4.565 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.892 -5.970 -5.339 1.00 0.53 H new ATOM 1310 N LYS A 292 7.899 -6.982 -4.458 1.00 0.18 N ATOM 1311 CA LYS A 292 6.543 -6.810 -3.912 1.00 0.16 C ATOM 1312 C LYS A 292 6.315 -7.636 -2.633 1.00 0.17 C ATOM 1313 O LYS A 292 6.653 -8.817 -2.569 1.00 0.29 O ATOM 1314 CB LYS A 292 5.491 -7.156 -4.964 1.00 0.18 C ATOM 1315 CG LYS A 292 5.810 -8.386 -5.791 1.00 0.23 C ATOM 1316 CD LYS A 292 4.754 -8.596 -6.860 1.00 0.29 C ATOM 1317 CE LYS A 292 5.219 -9.567 -7.933 1.00 0.49 C ATOM 1318 NZ LYS A 292 5.543 -10.909 -7.378 1.00 1.33 N ATOM 0 H LYS A 292 8.143 -7.948 -4.676 1.00 0.18 H new ATOM 0 HA LYS A 292 6.442 -5.760 -3.639 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.533 -7.307 -4.466 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.371 -6.304 -5.634 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.790 -8.275 -6.256 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.861 -9.262 -5.145 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.841 -8.974 -6.399 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.507 -7.639 -7.319 1.00 0.29 H new ATOM 0 HE2 LYS A 292 4.442 -9.668 -8.690 1.00 0.49 H new ATOM 0 HE3 LYS A 292 6.099 -9.160 -8.431 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 5.790 -11.555 -8.154 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 6.348 -10.829 -6.725 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 4.718 -11.282 -6.867 1.00 1.33 H new ATOM 1332 N CYS A 293 5.694 -6.997 -1.636 1.00 0.16 N ATOM 1333 CA CYS A 293 5.329 -7.642 -0.370 1.00 0.18 C ATOM 1334 C CYS A 293 3.824 -7.661 -0.253 1.00 0.15 C ATOM 1335 O CYS A 293 3.192 -6.613 -0.354 1.00 0.14 O ATOM 1336 CB CYS A 293 5.894 -6.881 0.832 1.00 0.28 C ATOM 1337 SG CYS A 293 7.612 -7.244 1.230 1.00 1.55 S ATOM 0 H CYS A 293 5.429 -6.013 -1.685 1.00 0.16 H new ATOM 0 HA CYS A 293 5.743 -8.651 -0.370 1.00 0.18 H new ATOM 0 HB2 CYS A 293 5.800 -5.812 0.642 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.280 -7.105 1.705 1.00 0.28 H new ATOM 0 HG CYS A 293 7.977 -6.540 2.260 1.00 1.55 H new ATOM 1343 N SER A 294 3.246 -8.837 -0.114 1.00 0.17 N ATOM 1344 CA SER A 294 1.803 -8.956 -0.123 1.00 0.18 C ATOM 1345 C SER A 294 1.190 -8.628 1.225 1.00 0.17 C ATOM 1346 O SER A 294 1.687 -9.034 2.277 1.00 0.20 O ATOM 1347 CB SER A 294 1.388 -10.361 -0.576 1.00 0.27 C ATOM 1348 OG SER A 294 2.039 -11.365 0.185 1.00 0.61 O ATOM 0 H SER A 294 3.748 -9.717 0.006 1.00 0.17 H new ATOM 0 HA SER A 294 1.421 -8.223 -0.834 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.308 -10.472 -0.479 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.628 -10.490 -1.631 1.00 0.27 H new ATOM 0 HG SER A 294 1.752 -12.249 -0.126 1.00 0.61 H new ATOM 1354 N THR A 295 0.079 -7.923 1.171 1.00 0.17 N ATOM 1355 CA THR A 295 -0.675 -7.597 2.354 1.00 0.15 C ATOM 1356 C THR A 295 -2.158 -7.614 2.005 1.00 0.15 C ATOM 1357 O THR A 295 -2.556 -7.160 0.926 1.00 0.15 O ATOM 1358 CB THR A 295 -0.244 -6.227 2.941 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.200 -6.307 4.369 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.174 -5.092 2.536 1.00 0.20 C ATOM 0 H THR A 295 -0.323 -7.562 0.305 1.00 0.17 H new ATOM 0 HA THR A 295 -0.477 -8.339 3.127 1.00 0.15 H new ATOM 0 HB THR A 295 0.743 -6.005 2.534 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.543 -5.474 4.754 1.00 0.29 H new ATOM 0 HG21 THR A 295 -0.822 -4.159 2.976 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.184 -5.000 1.450 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.182 -5.303 2.892 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.947 -8.308 2.807 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.345 -8.482 2.481 1.00 0.15 C ATOM 1370 C GLU A 296 -5.102 -7.196 2.766 1.00 0.14 C ATOM 1371 O GLU A 296 -4.730 -6.427 3.653 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.941 -9.659 3.247 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.080 -10.904 3.178 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.742 -12.113 3.801 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.763 -12.587 3.260 1.00 0.96 O ATOM 1376 OE2 GLU A 296 -4.236 -12.605 4.829 1.00 0.76 O ATOM 0 H GLU A 296 -2.647 -8.753 3.675 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.435 -8.709 1.419 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -5.078 -9.375 4.290 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.929 -9.884 2.846 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.847 -11.121 2.136 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.133 -10.713 3.684 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.077 -6.907 1.939 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.824 -5.681 2.060 1.00 0.15 C ATOM 1385 C LEU A 297 -8.255 -5.982 2.458 1.00 0.15 C ATOM 1386 O LEU A 297 -9.035 -6.496 1.661 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.783 -4.911 0.741 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.423 -3.532 0.786 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.722 -2.678 1.821 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.369 -2.872 -0.582 1.00 0.29 C ATOM 0 H LEU A 297 -6.372 -7.509 1.170 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.372 -5.063 2.836 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.743 -4.803 0.432 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.284 -5.503 -0.025 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.471 -3.637 1.066 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.183 -1.691 1.851 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -6.809 -3.149 2.800 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.669 -2.579 1.558 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.832 -1.887 -0.529 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.330 -2.769 -0.895 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.906 -3.487 -1.304 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.598 -5.614 3.677 1.00 0.14 N ATOM 1403 CA PHE A 298 -9.947 -5.786 4.184 1.00 0.19 C ATOM 1404 C PHE A 298 -10.596 -4.431 4.341 1.00 0.19 C ATOM 1405 O PHE A 298 -9.915 -3.444 4.581 1.00 0.24 O ATOM 1406 CB PHE A 298 -9.946 -6.510 5.535 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.556 -7.958 5.464 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.295 -8.340 5.030 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.457 -8.942 5.833 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.945 -9.673 4.966 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.110 -10.276 5.771 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.853 -10.642 5.337 1.00 0.45 C ATOM 0 H PHE A 298 -7.953 -5.189 4.343 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.507 -6.393 3.473 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.261 -5.995 6.209 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -10.941 -6.436 5.974 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.579 -7.585 4.739 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.443 -8.662 6.173 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.960 -9.957 4.625 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.823 -11.033 6.062 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.580 -11.686 5.288 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.890 -4.354 4.139 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.564 -3.079 4.255 1.00 0.28 C ATOM 1424 C VAL A 299 -13.535 -3.050 5.436 1.00 0.32 C ATOM 1425 O VAL A 299 -14.418 -3.901 5.561 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.291 -2.695 2.950 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.147 -3.832 2.431 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -14.122 -1.443 3.159 1.00 0.35 C ATOM 0 H VAL A 299 -12.490 -5.143 3.898 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.788 -2.336 4.441 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.534 -2.489 2.193 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.643 -3.523 1.511 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.518 -4.699 2.231 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.897 -4.093 3.178 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.629 -1.184 2.230 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.862 -1.624 3.938 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.472 -0.621 3.459 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.425 -1.994 6.229 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.367 -1.713 7.294 1.00 0.41 C ATOM 1440 C LYS A 300 -15.487 -0.855 6.728 1.00 0.40 C ATOM 1441 O LYS A 300 -15.220 0.141 6.052 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.659 -0.964 8.424 1.00 0.48 C ATOM 1443 CG LYS A 300 -14.556 -0.611 9.599 1.00 1.17 C ATOM 1444 CD LYS A 300 -14.202 0.751 10.180 1.00 1.72 C ATOM 1445 CE LYS A 300 -12.774 0.801 10.706 1.00 2.32 C ATOM 1446 NZ LYS A 300 -12.609 0.032 11.968 1.00 3.03 N ATOM 0 H LYS A 300 -12.675 -1.307 6.149 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.773 -2.643 7.692 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.831 -1.574 8.785 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.229 -0.047 8.022 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -15.597 -0.611 9.276 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -14.462 -1.373 10.372 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -14.332 1.515 9.414 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -14.893 0.990 10.988 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -12.097 0.403 9.950 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -12.488 1.839 10.876 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -11.621 0.096 12.287 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -13.235 0.426 12.699 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -12.856 -0.965 11.802 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.723 -1.258 6.964 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.878 -0.532 6.449 1.00 0.57 C ATOM 1462 C GLU A 301 -18.054 0.806 7.171 1.00 0.65 C ATOM 1463 O GLU A 301 -19.014 1.534 6.849 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.147 -1.369 6.617 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.276 -2.478 5.594 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.411 -3.440 5.884 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.063 -3.284 6.940 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -20.669 -4.347 5.065 1.00 1.21 O ATOM 1469 OXT GLU A 301 -17.248 1.115 8.076 1.00 1.20 O ATOM 0 H GLU A 301 -16.957 -2.087 7.511 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.705 -0.338 5.390 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.157 -1.804 7.616 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -20.016 -0.716 6.545 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.427 -2.037 4.609 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.340 -3.035 5.554 1.00 0.66 H new