USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=30 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+ -172:sc= 1.33 (180deg=0.0497) USER MOD Set 1.2: A 295 THR OG1 : rot -154:sc= -0.592! USER MOD Set 2.1: A 276 CYS SG : rot -51:sc= -2.34! USER MOD Set 2.2: A 284 TYR OH : rot 93:sc= 1.36 USER MOD Set 3.1: A 248 LYS NZ :NH3+ -134:sc= 1.07 (180deg=-0.0999) USER MOD Set 3.2: A 249 ASN : amide:sc= -1.4 K(o=0.26,f=-4.4!) USER MOD Set 3.3: A 251 GLN : amide:sc= 0.584 K(o=0.26,f=-6.1) USER MOD Set 4.1: A 245 LYS NZ :NH3+ -160:sc= 1.2 (180deg=-0.0783) USER MOD Set 4.2: A 254 GLN : amide:sc= 0.917 K(o=2.1,f=-6) USER MOD Set 5.1: A 234 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 270 THR OG1 : rot 180:sc=-0.00264 USER MOD Set 6.1: A 216 GLN :FLIP amide:sc= 0 X(o=-0.58,f=-0.57) USER MOD Set 6.2: A 240 HIS :FLIP no HE2:sc= -0.574 F(o=-2.5,f=-0.57) USER MOD Single : A 217 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 TYR OH : rot -128:sc= -1.14! USER MOD Single : A 224 GLN : amide:sc=-0.00077 X(o=-0.00077,f=0) USER MOD Single : A 226 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0171) USER MOD Single : A 229 HIS : no HE2:sc= 0.463 K(o=0.46,f=-3.6!) USER MOD Single : A 230 LYS NZ :NH3+ -175:sc= -0.859 (180deg=-0.896) USER MOD Single : A 255 MET CE :methyl -111:sc= -1.71 (180deg=-1.9!) USER MOD Single : A 256 SER OG : rot 180:sc=-0.00974 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 LYS NZ :NH3+ -169:sc= -0.0278 (180deg=-0.157) USER MOD Single : A 260 TYR OH : rot 180:sc= 0 USER MOD Single : A 264 SER OG : rot 180:sc= -0.0696 USER MOD Single : A 268 LYS NZ :NH3+ -166:sc= 0.667 (180deg=0.394) USER MOD Single : A 272 THR OG1 : rot 180:sc= -0.478 USER MOD Single : A 274 SER OG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 277 SER OG : rot 180:sc= 0.0107 USER MOD Single : A 285 GLN :FLIP amide:sc= -7.2! C(o=-14!,f=-7.2!) USER MOD Single : A 286 CYS SG : rot 115:sc= -4.88! USER MOD Single : A 292 LYS NZ :NH3+ -163:sc= -0.0327 (180deg=-0.335) USER MOD Single : A 293 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 SER OG : rot 180:sc= 0.00223 USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 11.613 -2.658 -0.439 1.00 0.50 N ATOM 98 CA ALA A 214 12.414 -1.622 0.163 1.00 0.39 C ATOM 99 C ALA A 214 11.679 -1.065 1.355 1.00 0.25 C ATOM 100 O ALA A 214 11.971 0.027 1.832 1.00 0.27 O ATOM 101 CB ALA A 214 12.694 -0.521 -0.822 1.00 0.48 C ATOM 0 HA ALA A 214 13.367 -2.048 0.476 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.300 0.249 -0.344 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.232 -0.927 -1.678 1.00 0.48 H new ATOM 0 HB3 ALA A 214 11.753 -0.086 -1.158 1.00 0.48 H new ATOM 107 N PHE A 215 10.684 -1.805 1.797 1.00 0.25 N ATOM 108 CA PHE A 215 9.901 -1.413 2.932 1.00 0.18 C ATOM 109 C PHE A 215 10.473 -2.093 4.149 1.00 0.21 C ATOM 110 O PHE A 215 10.350 -3.310 4.309 1.00 0.28 O ATOM 111 CB PHE A 215 8.424 -1.790 2.739 1.00 0.20 C ATOM 112 CG PHE A 215 7.823 -1.260 1.458 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.232 -1.750 0.231 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.833 -0.290 1.481 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.672 -1.284 -0.941 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.268 0.176 0.313 1.00 0.31 C ATOM 117 CZ PHE A 215 6.747 -0.249 -0.898 1.00 0.35 C ATOM 0 H PHE A 215 10.402 -2.690 1.376 1.00 0.25 H new ATOM 0 HA PHE A 215 9.941 -0.331 3.054 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.331 -2.876 2.751 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.848 -1.411 3.584 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.000 -2.508 0.190 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.499 0.107 2.428 1.00 0.26 H new ATOM 0 HE1 PHE A 215 7.952 -1.722 -1.888 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.447 0.877 0.353 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.408 0.217 -1.812 1.00 0.35 H new ATOM 127 N GLN A 216 11.131 -1.296 4.969 1.00 0.18 N ATOM 128 CA GLN A 216 11.730 -1.752 6.205 1.00 0.21 C ATOM 129 C GLN A 216 10.724 -2.592 6.961 1.00 0.24 C ATOM 130 O GLN A 216 10.904 -3.793 7.163 1.00 0.31 O ATOM 131 CB GLN A 216 12.087 -0.525 7.027 1.00 0.20 C ATOM 132 CG GLN A 216 13.461 -0.578 7.669 1.00 0.25 C ATOM 133 CD GLN A 216 13.670 0.547 8.660 1.00 0.30 C ATOM 134 OE1 GLN A 216 14.559 1.469 8.338 1.00 0.92 O flip ATOM 135 NE2 GLN A 216 13.021 0.596 9.703 1.00 0.79 N flip ATOM 0 H GLN A 216 11.265 -0.301 4.791 1.00 0.18 H new ATOM 0 HA GLN A 216 12.620 -2.350 6.008 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.033 0.355 6.386 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.339 -0.396 7.809 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.587 -1.535 8.175 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.225 -0.524 6.894 1.00 0.25 H new ATOM 0 HE21 GLN A 216 12.343 -0.136 9.917 1.00 0.79 H new ATOM 0 HE22 GLN A 216 13.160 1.368 10.355 1.00 0.79 H new ATOM 144 N LYS A 217 9.577 -1.986 7.172 1.00 0.20 N ATOM 145 CA LYS A 217 8.430 -2.688 7.673 1.00 0.22 C ATOM 146 C LYS A 217 7.192 -2.272 6.892 1.00 0.17 C ATOM 147 O LYS A 217 6.779 -1.122 6.961 1.00 0.17 O ATOM 148 CB LYS A 217 8.247 -2.371 9.151 1.00 0.28 C ATOM 149 CG LYS A 217 7.014 -3.002 9.753 1.00 0.36 C ATOM 150 CD LYS A 217 6.697 -2.392 11.104 1.00 0.59 C ATOM 151 CE LYS A 217 7.804 -2.654 12.110 1.00 1.26 C ATOM 152 NZ LYS A 217 7.536 -1.990 13.411 1.00 1.85 N ATOM 0 H LYS A 217 9.419 -0.993 6.999 1.00 0.20 H new ATOM 0 HA LYS A 217 8.579 -3.761 7.553 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.125 -2.712 9.699 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.192 -1.290 9.279 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.167 -2.867 9.081 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.166 -4.076 9.861 1.00 0.36 H new ATOM 0 HD2 LYS A 217 6.552 -1.317 10.993 1.00 0.59 H new ATOM 0 HD3 LYS A 217 5.760 -2.803 11.478 1.00 0.59 H new ATOM 0 HE2 LYS A 217 7.908 -3.728 12.265 1.00 1.26 H new ATOM 0 HE3 LYS A 217 8.752 -2.297 11.708 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 8.314 -2.192 14.071 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 7.462 -0.963 13.268 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 6.644 -2.349 13.807 1.00 1.85 H new ATOM 166 N LYS A 218 6.488 -3.233 6.335 1.00 0.19 N ATOM 167 CA LYS A 218 5.172 -2.962 5.782 1.00 0.20 C ATOM 168 C LYS A 218 4.152 -3.248 6.876 1.00 0.18 C ATOM 169 O LYS A 218 4.405 -4.092 7.736 1.00 0.20 O ATOM 170 CB LYS A 218 4.929 -3.804 4.513 1.00 0.31 C ATOM 171 CG LYS A 218 3.566 -3.599 3.849 1.00 0.39 C ATOM 172 CD LYS A 218 2.519 -4.533 4.417 1.00 0.96 C ATOM 173 CE LYS A 218 2.929 -5.987 4.287 1.00 1.56 C ATOM 174 NZ LYS A 218 2.183 -6.862 5.224 1.00 2.42 N ATOM 0 H LYS A 218 6.798 -4.201 6.251 1.00 0.19 H new ATOM 0 HA LYS A 218 5.083 -1.921 5.470 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.708 -3.572 3.787 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.036 -4.858 4.769 1.00 0.31 H new ATOM 0 HG2 LYS A 218 3.246 -2.566 3.987 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.656 -3.764 2.775 1.00 0.39 H new ATOM 0 HD2 LYS A 218 2.352 -4.295 5.468 1.00 0.96 H new ATOM 0 HD3 LYS A 218 1.573 -4.375 3.900 1.00 0.96 H new ATOM 0 HE2 LYS A 218 2.757 -6.322 3.264 1.00 1.56 H new ATOM 0 HE3 LYS A 218 3.998 -6.080 4.478 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 2.586 -7.820 5.200 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 2.256 -6.480 6.189 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 1.183 -6.900 4.942 1.00 2.42 H new ATOM 188 N LEU A 219 3.079 -2.466 6.929 1.00 0.16 N ATOM 189 CA LEU A 219 2.084 -2.608 7.989 1.00 0.16 C ATOM 190 C LEU A 219 1.494 -4.019 8.021 1.00 0.16 C ATOM 191 O LEU A 219 1.752 -4.825 7.135 1.00 0.17 O ATOM 192 CB LEU A 219 0.970 -1.567 7.863 1.00 0.20 C ATOM 193 CG LEU A 219 1.214 -0.253 8.608 1.00 0.66 C ATOM 194 CD1 LEU A 219 -0.056 0.584 8.628 1.00 1.20 C ATOM 195 CD2 LEU A 219 1.707 -0.517 10.024 1.00 1.62 C ATOM 0 H LEU A 219 2.875 -1.729 6.253 1.00 0.16 H new ATOM 0 HA LEU A 219 2.602 -2.435 8.932 1.00 0.16 H new ATOM 0 HB2 LEU A 219 0.822 -1.344 6.806 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.042 -2.006 8.229 1.00 0.20 H new ATOM 0 HG LEU A 219 1.989 0.304 8.081 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.131 1.516 9.161 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.362 0.806 7.606 1.00 1.20 H new ATOM 0 HD13 LEU A 219 -0.849 0.031 9.132 1.00 1.20 H new ATOM 0 HD21 LEU A 219 1.874 0.432 10.534 1.00 1.62 H new ATOM 0 HD22 LEU A 219 0.960 -1.095 10.568 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.641 -1.077 9.985 1.00 1.62 H new ATOM 207 N GLU A 220 0.797 -4.344 9.101 1.00 0.17 N ATOM 208 CA GLU A 220 0.256 -5.690 9.306 1.00 0.20 C ATOM 209 C GLU A 220 -0.444 -6.223 8.051 1.00 0.19 C ATOM 210 O GLU A 220 -1.004 -5.451 7.270 1.00 0.19 O ATOM 211 CB GLU A 220 -0.728 -5.668 10.468 1.00 0.23 C ATOM 212 CG GLU A 220 -1.905 -4.739 10.235 1.00 0.24 C ATOM 213 CD GLU A 220 -2.771 -4.599 11.463 1.00 0.75 C ATOM 214 OE1 GLU A 220 -3.304 -5.623 11.934 1.00 1.43 O ATOM 215 OE2 GLU A 220 -2.938 -3.462 11.954 1.00 1.12 O ATOM 0 H GLU A 220 0.589 -3.692 9.857 1.00 0.17 H new ATOM 0 HA GLU A 220 1.090 -6.356 9.528 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.099 -6.678 10.641 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.205 -5.361 11.374 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.537 -3.757 9.938 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.507 -5.118 9.409 1.00 0.24 H new ATOM 222 N PRO A 221 -0.316 -7.540 7.788 1.00 0.22 N ATOM 223 CA PRO A 221 -0.824 -8.183 6.558 1.00 0.23 C ATOM 224 C PRO A 221 -2.345 -8.159 6.405 1.00 0.20 C ATOM 225 O PRO A 221 -2.886 -8.934 5.629 1.00 0.19 O ATOM 226 CB PRO A 221 -0.334 -9.632 6.677 1.00 0.29 C ATOM 227 CG PRO A 221 0.800 -9.572 7.637 1.00 0.57 C ATOM 228 CD PRO A 221 0.449 -8.489 8.612 1.00 0.26 C ATOM 0 HA PRO A 221 -0.464 -7.647 5.680 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.125 -10.288 7.040 1.00 0.29 H new ATOM 0 HB3 PRO A 221 -0.014 -10.022 5.711 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.934 -10.527 8.144 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.736 -9.349 7.124 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.143 -8.871 9.444 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.339 -8.027 9.040 1.00 0.26 H new ATOM 236 N ALA A 222 -2.981 -7.129 6.932 1.00 0.20 N ATOM 237 CA ALA A 222 -4.381 -6.879 6.654 1.00 0.19 C ATOM 238 C ALA A 222 -4.691 -5.407 6.829 1.00 0.15 C ATOM 239 O ALA A 222 -4.978 -4.935 7.931 1.00 0.17 O ATOM 240 CB ALA A 222 -5.298 -7.714 7.527 1.00 0.24 C ATOM 0 H ALA A 222 -2.547 -6.450 7.557 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.565 -7.170 5.620 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.336 -7.491 7.281 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -5.103 -8.772 7.352 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -5.115 -7.480 8.576 1.00 0.24 H new ATOM 246 N TYR A 223 -4.669 -4.694 5.722 1.00 0.12 N ATOM 247 CA TYR A 223 -5.037 -3.297 5.717 1.00 0.11 C ATOM 248 C TYR A 223 -6.552 -3.189 5.662 1.00 0.13 C ATOM 249 O TYR A 223 -7.192 -3.786 4.788 1.00 0.17 O ATOM 250 CB TYR A 223 -4.406 -2.575 4.519 1.00 0.12 C ATOM 251 CG TYR A 223 -2.907 -2.345 4.619 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.070 -3.225 5.300 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.328 -1.244 4.010 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.703 -3.008 5.365 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.963 -1.022 4.071 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.160 -1.902 4.745 1.00 0.16 C ATOM 257 OH TYR A 223 1.193 -1.670 4.803 1.00 0.21 O ATOM 0 H TYR A 223 -4.398 -5.063 4.810 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.667 -2.822 6.626 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.609 -3.154 3.618 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.898 -1.610 4.396 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.494 -4.092 5.786 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.954 -0.544 3.477 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.067 -3.700 5.897 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.533 -0.157 3.588 1.00 0.20 H new ATOM 0 HH TYR A 223 1.355 -0.758 5.122 1.00 0.21 H new ATOM 267 N GLN A 224 -7.129 -2.536 6.657 1.00 0.15 N ATOM 268 CA GLN A 224 -8.576 -2.427 6.751 1.00 0.18 C ATOM 269 C GLN A 224 -9.060 -1.082 6.228 1.00 0.17 C ATOM 270 O GLN A 224 -8.962 -0.066 6.916 1.00 0.22 O ATOM 271 CB GLN A 224 -9.046 -2.647 8.189 1.00 0.26 C ATOM 272 CG GLN A 224 -8.856 -4.075 8.669 1.00 0.34 C ATOM 273 CD GLN A 224 -9.376 -4.300 10.073 1.00 0.61 C ATOM 274 OE1 GLN A 224 -8.884 -3.709 11.034 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.375 -5.157 10.202 1.00 0.99 N ATOM 0 H GLN A 224 -6.619 -2.074 7.410 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.010 -3.207 6.126 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.501 -1.973 8.850 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.101 -2.383 8.264 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.366 -4.753 7.985 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.796 -4.326 8.635 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.754 -5.626 9.379 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.766 -5.349 11.124 1.00 0.99 H new ATOM 284 N VAL A 225 -9.574 -1.079 5.001 1.00 0.16 N ATOM 285 CA VAL A 225 -10.073 0.146 4.389 1.00 0.18 C ATOM 286 C VAL A 225 -11.277 0.655 5.140 1.00 0.24 C ATOM 287 O VAL A 225 -12.303 0.002 5.129 1.00 0.30 O ATOM 288 CB VAL A 225 -10.543 -0.054 2.931 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.749 1.293 2.245 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.593 -0.927 2.140 1.00 0.77 C ATOM 0 H VAL A 225 -9.655 -1.909 4.414 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.235 0.843 4.417 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.499 -0.576 2.965 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.080 1.132 1.219 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.504 1.864 2.784 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -9.810 1.846 2.241 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -9.965 -1.039 1.121 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.607 -0.464 2.117 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.523 -1.908 2.611 1.00 0.77 H new ATOM 300 N SER A 226 -11.279 1.919 5.470 1.00 0.26 N ATOM 301 CA SER A 226 -12.538 2.531 5.796 1.00 0.33 C ATOM 302 C SER A 226 -13.198 2.885 4.465 1.00 0.32 C ATOM 303 O SER A 226 -12.599 3.590 3.651 1.00 0.32 O ATOM 304 CB SER A 226 -12.342 3.761 6.672 1.00 0.42 C ATOM 305 OG SER A 226 -13.587 4.305 7.072 1.00 1.20 O ATOM 0 H SER A 226 -10.459 2.524 5.520 1.00 0.26 H new ATOM 0 HA SER A 226 -13.169 1.855 6.372 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.758 3.495 7.553 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.771 4.513 6.127 1.00 0.42 H new ATOM 0 HG SER A 226 -13.434 5.093 7.635 1.00 1.20 H new ATOM 311 N LYS A 227 -14.196 2.094 4.118 1.00 0.34 N ATOM 312 CA LYS A 227 -14.737 2.063 2.768 1.00 0.37 C ATOM 313 C LYS A 227 -15.066 3.454 2.245 1.00 0.42 C ATOM 314 O LYS A 227 -15.796 4.223 2.870 1.00 0.48 O ATOM 315 CB LYS A 227 -15.983 1.170 2.698 1.00 0.44 C ATOM 316 CG LYS A 227 -17.229 1.786 3.308 1.00 0.95 C ATOM 317 CD LYS A 227 -18.495 1.160 2.753 1.00 0.93 C ATOM 318 CE LYS A 227 -19.710 1.548 3.576 1.00 0.96 C ATOM 319 NZ LYS A 227 -19.929 3.021 3.619 1.00 1.54 N ATOM 0 H LYS A 227 -14.657 1.453 4.764 1.00 0.34 H new ATOM 0 HA LYS A 227 -13.959 1.644 2.129 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -16.185 0.929 1.654 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -15.771 0.230 3.207 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.205 1.659 4.390 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.238 2.858 3.113 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -18.637 1.477 1.720 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.392 0.075 2.742 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -20.594 1.065 3.160 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -19.590 1.173 4.592 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.816 3.226 4.121 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -19.137 3.475 4.117 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -19.987 3.392 2.649 1.00 1.54 H new ATOM 333 N GLY A 228 -14.472 3.782 1.111 1.00 0.46 N ATOM 334 CA GLY A 228 -14.693 5.081 0.501 1.00 0.57 C ATOM 335 C GLY A 228 -14.097 6.212 1.313 1.00 0.57 C ATOM 336 O GLY A 228 -14.178 7.379 0.928 1.00 0.70 O ATOM 0 H GLY A 228 -13.837 3.171 0.597 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.259 5.088 -0.499 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -15.764 5.247 0.385 1.00 0.57 H new ATOM 340 N HIS A 229 -13.420 5.852 2.392 1.00 0.47 N ATOM 341 CA HIS A 229 -12.730 6.819 3.223 1.00 0.53 C ATOM 342 C HIS A 229 -11.265 6.831 2.823 1.00 0.54 C ATOM 343 O HIS A 229 -10.426 7.396 3.517 1.00 1.02 O ATOM 344 CB HIS A 229 -12.892 6.459 4.701 1.00 0.55 C ATOM 345 CG HIS A 229 -12.661 7.602 5.650 1.00 1.32 C ATOM 346 ND1 HIS A 229 -11.459 8.260 5.763 1.00 1.94 N ATOM 347 CD2 HIS A 229 -13.496 8.200 6.531 1.00 2.31 C ATOM 348 CE1 HIS A 229 -11.560 9.208 6.673 1.00 2.66 C ATOM 349 NE2 HIS A 229 -12.787 9.199 7.154 1.00 2.89 N ATOM 0 H HIS A 229 -13.335 4.887 2.713 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.155 7.812 3.079 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -13.898 6.070 4.859 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -12.197 5.655 4.944 1.00 0.55 H new ATOM 0 HD1 HIS A 229 -10.619 8.047 5.225 1.00 1.94 H new ATOM 0 HD2 HIS A 229 -14.529 7.940 6.711 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -10.770 9.880 6.974 1.00 2.66 H new ATOM 358 N LYS A 230 -10.995 6.155 1.698 1.00 0.30 N ATOM 359 CA LYS A 230 -9.657 6.029 1.091 1.00 0.28 C ATOM 360 C LYS A 230 -8.603 5.543 2.087 1.00 0.24 C ATOM 361 O LYS A 230 -8.176 6.270 2.984 1.00 0.28 O ATOM 362 CB LYS A 230 -9.217 7.332 0.372 1.00 0.36 C ATOM 363 CG LYS A 230 -9.254 8.605 1.211 1.00 1.00 C ATOM 364 CD LYS A 230 -9.160 9.855 0.348 1.00 1.23 C ATOM 365 CE LYS A 230 -7.727 10.169 -0.049 1.00 1.65 C ATOM 366 NZ LYS A 230 -6.948 10.743 1.083 1.00 2.24 N ATOM 0 H LYS A 230 -11.718 5.667 1.169 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.740 5.256 0.327 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.201 7.194 0.002 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -9.856 7.476 -0.499 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -10.177 8.632 1.790 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -8.430 8.594 1.925 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -9.763 9.721 -0.550 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -9.579 10.702 0.891 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -7.240 9.259 -0.400 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -7.727 10.872 -0.882 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -6.003 11.021 0.749 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -7.443 11.578 1.457 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -6.853 10.031 1.835 1.00 2.24 H new ATOM 380 N ILE A 231 -8.202 4.287 1.937 1.00 0.20 N ATOM 381 CA ILE A 231 -7.273 3.687 2.892 1.00 0.17 C ATOM 382 C ILE A 231 -5.820 3.978 2.521 1.00 0.16 C ATOM 383 O ILE A 231 -5.433 3.928 1.357 1.00 0.17 O ATOM 384 CB ILE A 231 -7.479 2.157 3.019 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.509 1.581 4.058 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.268 1.478 1.679 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.585 0.082 4.228 1.00 0.19 C ATOM 0 H ILE A 231 -8.497 3.672 1.179 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.489 4.145 3.857 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.502 1.971 3.345 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.492 1.850 3.774 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.706 2.053 5.021 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.417 0.404 1.788 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -7.982 1.872 0.955 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.254 1.670 1.330 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -5.865 -0.236 4.982 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.590 -0.198 4.546 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.356 -0.404 3.280 1.00 0.19 H new ATOM 399 N ARG A 232 -5.038 4.328 3.528 1.00 0.17 N ATOM 400 CA ARG A 232 -3.633 4.659 3.353 1.00 0.17 C ATOM 401 C ARG A 232 -2.761 3.438 3.636 1.00 0.15 C ATOM 402 O ARG A 232 -2.949 2.776 4.660 1.00 0.19 O ATOM 403 CB ARG A 232 -3.274 5.788 4.314 1.00 0.22 C ATOM 404 CG ARG A 232 -4.025 7.080 4.047 1.00 0.34 C ATOM 405 CD ARG A 232 -3.822 8.083 5.170 1.00 0.77 C ATOM 406 NE ARG A 232 -4.425 7.634 6.426 1.00 1.44 N ATOM 407 CZ ARG A 232 -5.741 7.563 6.653 1.00 2.13 C ATOM 408 NH1 ARG A 232 -6.613 7.955 5.728 1.00 2.48 N ATOM 409 NH2 ARG A 232 -6.182 7.114 7.819 1.00 3.14 N ATOM 0 H ARG A 232 -5.360 4.391 4.494 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.457 4.975 2.325 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.479 5.463 5.334 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.203 5.981 4.250 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -3.685 7.512 3.106 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.088 6.868 3.935 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -2.755 8.248 5.319 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -4.255 9.041 4.883 1.00 0.77 H new ATOM 0 HE ARG A 232 -3.798 7.356 7.181 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -6.280 8.315 4.833 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -7.614 7.896 5.913 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -5.519 6.825 8.538 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -7.185 7.058 7.998 1.00 3.14 H new ATOM 423 N LEU A 233 -1.791 3.140 2.765 1.00 0.13 N ATOM 424 CA LEU A 233 -0.932 2.005 2.992 1.00 0.14 C ATOM 425 C LEU A 233 0.354 2.475 3.628 1.00 0.13 C ATOM 426 O LEU A 233 1.251 2.953 2.939 1.00 0.13 O ATOM 427 CB LEU A 233 -0.659 1.270 1.672 1.00 0.15 C ATOM 428 CG LEU A 233 -1.735 0.254 1.247 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.090 0.918 1.049 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.322 -0.475 -0.021 1.00 0.23 C ATOM 0 H LEU A 233 -1.594 3.667 1.914 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.423 1.303 3.666 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.549 2.010 0.880 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.295 0.749 1.756 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.829 -0.470 2.056 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.822 0.168 0.750 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.407 1.383 1.983 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -3.012 1.679 0.273 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.098 -1.187 -0.301 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.184 0.246 -0.827 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.387 -1.008 0.154 1.00 0.23 H new ATOM 442 N THR A 234 0.375 2.458 4.950 1.00 0.14 N ATOM 443 CA THR A 234 1.496 2.979 5.706 1.00 0.16 C ATOM 444 C THR A 234 2.566 1.910 5.881 1.00 0.16 C ATOM 445 O THR A 234 2.253 0.731 6.046 1.00 0.22 O ATOM 446 CB THR A 234 1.037 3.485 7.088 1.00 0.22 C ATOM 447 OG1 THR A 234 -0.226 4.159 6.962 1.00 0.33 O ATOM 448 CG2 THR A 234 2.063 4.437 7.688 1.00 0.24 C ATOM 0 H THR A 234 -0.381 2.085 5.525 1.00 0.14 H new ATOM 0 HA THR A 234 1.916 3.815 5.148 1.00 0.16 H new ATOM 0 HB THR A 234 0.933 2.625 7.750 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.516 4.478 7.842 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.715 4.780 8.663 1.00 0.24 H new ATOM 0 HG22 THR A 234 3.015 3.920 7.804 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.194 5.294 7.028 1.00 0.24 H new ATOM 456 N VAL A 235 3.813 2.315 5.739 1.00 0.14 N ATOM 457 CA VAL A 235 4.948 1.406 5.821 1.00 0.14 C ATOM 458 C VAL A 235 6.155 2.149 6.359 1.00 0.14 C ATOM 459 O VAL A 235 6.365 3.303 6.020 1.00 0.16 O ATOM 460 CB VAL A 235 5.317 0.824 4.438 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.224 -0.075 3.913 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.567 1.944 3.457 1.00 0.14 C ATOM 0 H VAL A 235 4.072 3.286 5.563 1.00 0.14 H new ATOM 0 HA VAL A 235 4.664 0.588 6.483 1.00 0.14 H new ATOM 0 HB VAL A 235 6.223 0.230 4.555 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.513 -0.469 2.939 1.00 0.15 H new ATOM 0 HG12 VAL A 235 4.068 -0.901 4.607 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.300 0.495 3.814 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.826 1.525 2.485 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.667 2.552 3.362 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.388 2.565 3.815 1.00 0.14 H new ATOM 472 N GLU A 236 7.035 1.454 7.042 1.00 0.13 N ATOM 473 CA GLU A 236 8.296 2.044 7.408 1.00 0.13 C ATOM 474 C GLU A 236 9.274 1.700 6.312 1.00 0.13 C ATOM 475 O GLU A 236 9.492 0.530 6.029 1.00 0.17 O ATOM 476 CB GLU A 236 8.777 1.493 8.752 1.00 0.18 C ATOM 477 CG GLU A 236 9.859 2.329 9.407 1.00 0.29 C ATOM 478 CD GLU A 236 9.962 2.068 10.895 1.00 0.54 C ATOM 479 OE1 GLU A 236 10.029 0.889 11.301 1.00 1.18 O ATOM 480 OE2 GLU A 236 9.977 3.045 11.670 1.00 1.05 O ATOM 0 H GLU A 236 6.901 0.491 7.351 1.00 0.13 H new ATOM 0 HA GLU A 236 8.202 3.124 7.519 1.00 0.13 H new ATOM 0 HB2 GLU A 236 7.926 1.422 9.430 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.153 0.481 8.605 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.818 2.114 8.935 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.651 3.386 9.239 1.00 0.29 H new ATOM 487 N LEU A 237 9.681 2.694 5.550 1.00 0.13 N ATOM 488 CA LEU A 237 10.510 2.443 4.391 1.00 0.15 C ATOM 489 C LEU A 237 11.939 2.174 4.800 1.00 0.17 C ATOM 490 O LEU A 237 12.410 2.680 5.810 1.00 0.19 O ATOM 491 CB LEU A 237 10.481 3.620 3.417 1.00 0.17 C ATOM 492 CG LEU A 237 9.500 3.490 2.250 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.619 4.688 1.329 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.755 2.208 1.473 1.00 0.55 C ATOM 0 H LEU A 237 9.453 3.675 5.711 1.00 0.13 H new ATOM 0 HA LEU A 237 10.103 1.563 3.892 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.236 4.524 3.975 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.483 3.757 3.012 1.00 0.17 H new ATOM 0 HG LEU A 237 8.489 3.453 2.656 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.916 4.583 0.503 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.393 5.598 1.885 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.634 4.746 0.936 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.046 2.136 0.648 1.00 0.55 H new ATOM 0 HD22 LEU A 237 10.771 2.217 1.079 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.630 1.351 2.135 1.00 0.55 H new ATOM 506 N ALA A 238 12.641 1.456 3.949 1.00 0.19 N ATOM 507 CA ALA A 238 14.072 1.280 4.089 1.00 0.21 C ATOM 508 C ALA A 238 14.762 2.367 3.279 1.00 0.23 C ATOM 509 O ALA A 238 15.765 2.946 3.693 1.00 0.28 O ATOM 510 CB ALA A 238 14.484 -0.098 3.602 1.00 0.25 C ATOM 0 H ALA A 238 12.238 0.979 3.143 1.00 0.19 H new ATOM 0 HA ALA A 238 14.362 1.359 5.137 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.562 -0.216 3.713 1.00 0.25 H new ATOM 0 HB2 ALA A 238 13.973 -0.860 4.191 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.213 -0.209 2.552 1.00 0.25 H new ATOM 516 N ASP A 239 14.148 2.676 2.143 1.00 0.22 N ATOM 517 CA ASP A 239 14.633 3.718 1.240 1.00 0.25 C ATOM 518 C ASP A 239 14.436 5.105 1.819 1.00 0.25 C ATOM 519 O ASP A 239 15.317 5.955 1.711 1.00 0.34 O ATOM 520 CB ASP A 239 13.920 3.635 -0.101 1.00 0.31 C ATOM 521 CG ASP A 239 14.632 2.703 -1.061 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.896 1.545 -0.687 1.00 1.28 O ATOM 523 OD2 ASP A 239 14.959 3.134 -2.186 1.00 1.19 O ATOM 0 H ASP A 239 13.299 2.212 1.820 1.00 0.22 H new ATOM 0 HA ASP A 239 15.701 3.549 1.104 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.898 3.288 0.052 1.00 0.31 H new ATOM 0 HB3 ASP A 239 13.856 4.630 -0.541 1.00 0.31 H new ATOM 528 N HIS A 240 13.254 5.331 2.392 1.00 0.27 N ATOM 529 CA HIS A 240 12.893 6.612 3.014 1.00 0.39 C ATOM 530 C HIS A 240 12.538 7.673 1.972 1.00 0.47 C ATOM 531 O HIS A 240 11.506 8.332 2.083 1.00 0.70 O ATOM 532 CB HIS A 240 14.019 7.135 3.924 1.00 0.46 C ATOM 533 CG HIS A 240 14.392 6.197 5.033 1.00 0.46 C ATOM 534 ND1 HIS A 240 13.912 4.975 5.355 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 15.346 6.488 5.978 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.568 4.558 6.484 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.432 5.492 6.836 1.00 0.48 N flip ATOM 0 H HIS A 240 12.515 4.630 2.440 1.00 0.27 H new ATOM 0 HA HIS A 240 12.010 6.420 3.623 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.902 7.332 3.316 1.00 0.46 H new ATOM 0 HB3 HIS A 240 13.711 8.087 4.356 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.193 4.458 4.850 1.00 0.56 H new ATOM 0 HD2 HIS A 240 15.934 7.393 6.012 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.405 3.623 6.999 1.00 0.57 H new ATOM 546 N ASP A 241 13.390 7.837 0.966 1.00 0.41 N ATOM 547 CA ASP A 241 13.195 8.862 -0.056 1.00 0.51 C ATOM 548 C ASP A 241 13.126 8.230 -1.439 1.00 0.44 C ATOM 549 O ASP A 241 13.951 8.500 -2.312 1.00 0.78 O ATOM 550 CB ASP A 241 14.330 9.889 0.001 1.00 0.80 C ATOM 551 CG ASP A 241 14.089 11.103 -0.883 1.00 1.53 C ATOM 552 OD1 ASP A 241 12.965 11.260 -1.408 1.00 2.22 O ATOM 553 OD2 ASP A 241 15.022 11.916 -1.048 1.00 2.08 O ATOM 0 H ASP A 241 14.228 7.270 0.835 1.00 0.41 H new ATOM 0 HA ASP A 241 12.251 9.370 0.139 1.00 0.51 H new ATOM 0 HB2 ASP A 241 14.460 10.219 1.032 1.00 0.80 H new ATOM 0 HB3 ASP A 241 15.261 9.408 -0.300 1.00 0.80 H new ATOM 558 N ALA A 242 12.184 7.325 -1.600 1.00 0.33 N ATOM 559 CA ALA A 242 12.019 6.611 -2.854 1.00 0.30 C ATOM 560 C ALA A 242 10.558 6.550 -3.246 1.00 0.24 C ATOM 561 O ALA A 242 9.685 6.448 -2.382 1.00 0.28 O ATOM 562 CB ALA A 242 12.573 5.209 -2.735 1.00 0.38 C ATOM 0 H ALA A 242 11.516 7.063 -0.875 1.00 0.33 H new ATOM 0 HA ALA A 242 12.568 7.149 -3.627 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.443 4.685 -3.682 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.634 5.257 -2.489 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.042 4.674 -1.948 1.00 0.38 H new ATOM 568 N GLU A 243 10.301 6.526 -4.547 1.00 0.26 N ATOM 569 CA GLU A 243 8.943 6.346 -5.034 1.00 0.30 C ATOM 570 C GLU A 243 8.503 4.920 -4.755 1.00 0.25 C ATOM 571 O GLU A 243 9.102 3.968 -5.264 1.00 0.25 O ATOM 572 CB GLU A 243 8.855 6.611 -6.538 1.00 0.39 C ATOM 573 CG GLU A 243 9.392 7.965 -6.963 1.00 0.67 C ATOM 574 CD GLU A 243 9.222 8.211 -8.448 1.00 1.10 C ATOM 575 OE1 GLU A 243 8.079 8.145 -8.946 1.00 1.56 O ATOM 576 OE2 GLU A 243 10.235 8.464 -9.132 1.00 1.64 O ATOM 0 H GLU A 243 11.007 6.628 -5.276 1.00 0.26 H new ATOM 0 HA GLU A 243 8.294 7.056 -4.521 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.406 5.832 -7.066 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.813 6.532 -6.849 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.878 8.748 -6.406 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.449 8.032 -6.705 1.00 0.67 H new ATOM 583 N VAL A 244 7.454 4.764 -3.975 1.00 0.24 N ATOM 584 CA VAL A 244 6.958 3.439 -3.684 1.00 0.21 C ATOM 585 C VAL A 244 5.850 3.067 -4.645 1.00 0.20 C ATOM 586 O VAL A 244 4.858 3.784 -4.790 1.00 0.23 O ATOM 587 CB VAL A 244 6.469 3.288 -2.224 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.645 3.421 -1.265 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.365 4.300 -1.891 1.00 0.27 C ATOM 0 H VAL A 244 6.936 5.526 -3.538 1.00 0.24 H new ATOM 0 HA VAL A 244 7.797 2.756 -3.812 1.00 0.21 H new ATOM 0 HB VAL A 244 6.035 2.294 -2.110 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.292 3.313 -0.239 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.379 2.644 -1.479 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.107 4.401 -1.389 1.00 0.24 H new ATOM 0 HG21 VAL A 244 5.046 4.164 -0.858 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.747 5.312 -2.023 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.516 4.144 -2.556 1.00 0.27 H new ATOM 599 N LYS A 245 6.013 1.922 -5.264 1.00 0.18 N ATOM 600 CA LYS A 245 4.998 1.375 -6.125 1.00 0.19 C ATOM 601 C LYS A 245 4.294 0.275 -5.353 1.00 0.15 C ATOM 602 O LYS A 245 4.822 -0.229 -4.368 1.00 0.16 O ATOM 603 CB LYS A 245 5.623 0.845 -7.415 1.00 0.30 C ATOM 604 CG LYS A 245 6.310 1.915 -8.250 1.00 0.89 C ATOM 605 CD LYS A 245 7.058 1.302 -9.424 1.00 1.51 C ATOM 606 CE LYS A 245 7.797 2.355 -10.233 1.00 2.00 C ATOM 607 NZ LYS A 245 6.867 3.317 -10.879 1.00 2.79 N ATOM 0 H LYS A 245 6.851 1.347 -5.184 1.00 0.18 H new ATOM 0 HA LYS A 245 4.279 2.140 -6.416 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.349 0.071 -7.165 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.847 0.371 -8.016 1.00 0.30 H new ATOM 0 HG2 LYS A 245 5.569 2.624 -8.618 1.00 0.89 H new ATOM 0 HG3 LYS A 245 7.005 2.476 -7.626 1.00 0.89 H new ATOM 0 HD2 LYS A 245 7.768 0.562 -9.056 1.00 1.51 H new ATOM 0 HD3 LYS A 245 6.354 0.776 -10.069 1.00 1.51 H new ATOM 0 HE2 LYS A 245 8.483 2.896 -9.582 1.00 2.00 H new ATOM 0 HE3 LYS A 245 8.401 1.866 -10.997 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 7.351 3.792 -11.668 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 6.035 2.807 -11.240 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 6.563 4.027 -10.182 1.00 2.79 H new ATOM 621 N TRP A 246 3.047 0.032 -5.632 1.00 0.14 N ATOM 622 CA TRP A 246 2.319 -0.926 -4.829 1.00 0.13 C ATOM 623 C TRP A 246 1.639 -1.918 -5.739 1.00 0.14 C ATOM 624 O TRP A 246 1.769 -1.839 -6.950 1.00 0.14 O ATOM 625 CB TRP A 246 1.346 -0.241 -3.853 1.00 0.14 C ATOM 626 CG TRP A 246 2.039 0.725 -2.924 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.621 1.907 -3.279 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.259 0.597 -1.501 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.166 2.516 -2.185 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.965 1.742 -1.093 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.933 -0.356 -0.532 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.346 1.966 0.222 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.321 -0.121 0.785 1.00 0.15 C ATOM 634 CH2 TRP A 246 3.018 1.031 1.138 1.00 0.15 C ATOM 0 H TRP A 246 2.517 0.467 -6.387 1.00 0.14 H new ATOM 0 HA TRP A 246 3.020 -1.469 -4.195 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.583 0.291 -4.421 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.833 -1.001 -3.264 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.647 2.305 -4.283 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.649 3.414 -2.190 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.393 -1.253 -0.798 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.886 2.858 0.503 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.076 -0.846 1.547 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.303 1.180 2.169 1.00 0.15 H new ATOM 645 N LEU A 247 1.161 -2.985 -5.187 1.00 0.15 N ATOM 646 CA LEU A 247 0.615 -4.038 -5.999 1.00 0.14 C ATOM 647 C LEU A 247 -0.823 -4.293 -5.578 1.00 0.15 C ATOM 648 O LEU A 247 -1.101 -4.497 -4.410 1.00 0.16 O ATOM 649 CB LEU A 247 1.472 -5.300 -5.838 1.00 0.15 C ATOM 650 CG LEU A 247 2.328 -5.748 -7.029 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.631 -6.863 -7.792 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.653 -4.586 -7.951 1.00 0.17 C ATOM 0 H LEU A 247 1.134 -3.156 -4.182 1.00 0.15 H new ATOM 0 HA LEU A 247 0.623 -3.752 -7.051 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.137 -5.145 -4.989 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.807 -6.123 -5.576 1.00 0.15 H new ATOM 0 HG LEU A 247 3.272 -6.129 -6.638 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.251 -7.170 -8.634 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.472 -7.714 -7.129 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.669 -6.506 -8.160 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.261 -4.941 -8.783 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.728 -4.156 -8.335 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.204 -3.826 -7.398 1.00 0.17 H new ATOM 664 N LYS A 248 -1.706 -4.389 -6.536 1.00 0.19 N ATOM 665 CA LYS A 248 -3.062 -4.819 -6.268 1.00 0.25 C ATOM 666 C LYS A 248 -3.053 -6.322 -6.389 1.00 0.25 C ATOM 667 O LYS A 248 -2.162 -6.854 -7.035 1.00 0.21 O ATOM 668 CB LYS A 248 -4.028 -4.199 -7.286 1.00 0.34 C ATOM 669 CG LYS A 248 -5.495 -4.510 -7.040 1.00 0.77 C ATOM 670 CD LYS A 248 -6.384 -3.734 -8.000 1.00 0.95 C ATOM 671 CE LYS A 248 -7.857 -3.994 -7.739 1.00 1.57 C ATOM 672 NZ LYS A 248 -8.223 -5.411 -7.983 1.00 2.06 N ATOM 0 H LYS A 248 -1.514 -4.175 -7.515 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.395 -4.504 -5.279 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -3.894 -3.117 -7.281 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.758 -4.549 -8.282 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.669 -5.579 -7.161 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.757 -4.258 -6.012 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.180 -2.668 -7.903 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.142 -4.013 -9.026 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -8.095 -3.731 -6.708 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -8.458 -3.349 -8.380 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -9.100 -5.452 -8.541 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -7.457 -5.882 -8.506 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -8.369 -5.893 -7.073 1.00 2.06 H new ATOM 686 N ASN A 249 -3.895 -7.008 -5.640 1.00 0.34 N ATOM 687 CA ASN A 249 -3.894 -8.463 -5.644 1.00 0.40 C ATOM 688 C ASN A 249 -3.793 -8.984 -7.074 1.00 0.35 C ATOM 689 O ASN A 249 -4.752 -8.905 -7.838 1.00 0.35 O ATOM 690 CB ASN A 249 -5.179 -8.982 -4.989 1.00 0.61 C ATOM 691 CG ASN A 249 -6.309 -7.960 -5.019 1.00 0.75 C ATOM 692 OD1 ASN A 249 -6.289 -6.963 -4.298 1.00 1.38 O ATOM 693 ND2 ASN A 249 -7.299 -8.190 -5.852 1.00 1.19 N ATOM 0 H ASN A 249 -4.587 -6.585 -5.022 1.00 0.34 H new ATOM 0 HA ASN A 249 -3.033 -8.819 -5.079 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -5.502 -9.889 -5.500 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -4.970 -9.256 -3.955 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -8.077 -7.534 -5.913 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -7.289 -9.025 -6.438 1.00 1.19 H new ATOM 700 N GLY A 250 -2.583 -9.402 -7.447 1.00 0.35 N ATOM 701 CA GLY A 250 -2.296 -9.795 -8.815 1.00 0.35 C ATOM 702 C GLY A 250 -1.967 -8.624 -9.742 1.00 0.33 C ATOM 703 O GLY A 250 -1.108 -8.754 -10.616 1.00 0.39 O ATOM 0 H GLY A 250 -1.787 -9.475 -6.813 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -1.457 -10.491 -8.814 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -3.156 -10.332 -9.216 1.00 0.35 H new ATOM 707 N GLN A 251 -2.670 -7.501 -9.595 1.00 0.30 N ATOM 708 CA GLN A 251 -2.461 -6.336 -10.469 1.00 0.36 C ATOM 709 C GLN A 251 -1.300 -5.473 -9.980 1.00 0.25 C ATOM 710 O GLN A 251 -1.047 -5.376 -8.792 1.00 0.28 O ATOM 711 CB GLN A 251 -3.730 -5.478 -10.559 1.00 0.52 C ATOM 712 CG GLN A 251 -4.890 -6.143 -11.285 1.00 1.28 C ATOM 713 CD GLN A 251 -5.597 -7.188 -10.445 1.00 2.00 C ATOM 714 OE1 GLN A 251 -6.246 -6.870 -9.445 1.00 2.77 O ATOM 715 NE2 GLN A 251 -5.483 -8.442 -10.850 1.00 2.59 N ATOM 0 H GLN A 251 -3.388 -7.369 -8.883 1.00 0.30 H new ATOM 0 HA GLN A 251 -2.219 -6.721 -11.460 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.050 -5.218 -9.550 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.487 -4.545 -11.067 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -5.608 -5.380 -11.585 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -4.520 -6.609 -12.198 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -4.936 -8.661 -11.683 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -5.942 -9.190 -10.329 1.00 2.59 H new ATOM 724 N GLU A 252 -0.607 -4.811 -10.883 1.00 0.26 N ATOM 725 CA GLU A 252 0.480 -3.939 -10.471 1.00 0.25 C ATOM 726 C GLU A 252 0.009 -2.495 -10.319 1.00 0.27 C ATOM 727 O GLU A 252 -0.760 -1.992 -11.139 1.00 0.32 O ATOM 728 CB GLU A 252 1.661 -4.060 -11.424 1.00 0.32 C ATOM 729 CG GLU A 252 2.302 -5.437 -11.363 1.00 0.60 C ATOM 730 CD GLU A 252 3.606 -5.515 -12.123 1.00 1.05 C ATOM 731 OE1 GLU A 252 3.597 -5.297 -13.354 1.00 1.49 O ATOM 732 OE2 GLU A 252 4.649 -5.801 -11.501 1.00 1.60 O ATOM 0 H GLU A 252 -0.770 -4.856 -11.889 1.00 0.26 H new ATOM 0 HA GLU A 252 0.821 -4.263 -9.488 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.327 -3.860 -12.442 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.405 -3.302 -11.178 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.479 -5.704 -10.321 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.607 -6.173 -11.767 1.00 0.60 H new ATOM 739 N ILE A 253 0.361 -1.896 -9.186 1.00 0.23 N ATOM 740 CA ILE A 253 -0.149 -0.588 -8.796 1.00 0.27 C ATOM 741 C ILE A 253 0.946 0.487 -8.821 1.00 0.28 C ATOM 742 O ILE A 253 1.967 0.397 -8.127 1.00 0.28 O ATOM 743 CB ILE A 253 -0.785 -0.701 -7.387 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.245 -1.124 -7.474 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.645 0.566 -6.568 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.874 -1.348 -6.116 1.00 0.33 C ATOM 0 H ILE A 253 1.009 -2.305 -8.512 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.904 -0.276 -9.518 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.225 -1.476 -6.864 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.809 -0.359 -8.008 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.318 -2.041 -8.059 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -1.110 0.422 -5.593 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.412 0.798 -6.435 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.135 1.390 -7.086 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.914 -1.648 -6.242 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.332 -2.133 -5.589 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.830 -0.425 -5.538 1.00 0.33 H new ATOM 758 N GLN A 254 0.714 1.527 -9.602 1.00 0.36 N ATOM 759 CA GLN A 254 1.651 2.631 -9.679 1.00 0.43 C ATOM 760 C GLN A 254 1.283 3.715 -8.668 1.00 0.61 C ATOM 761 O GLN A 254 1.281 3.472 -7.463 1.00 1.42 O ATOM 762 CB GLN A 254 1.699 3.200 -11.099 1.00 0.70 C ATOM 763 CG GLN A 254 2.147 2.191 -12.145 1.00 1.00 C ATOM 764 CD GLN A 254 3.458 1.516 -11.788 1.00 1.75 C ATOM 765 OE1 GLN A 254 4.450 2.179 -11.479 1.00 2.63 O ATOM 766 NE2 GLN A 254 3.474 0.194 -11.851 1.00 2.21 N ATOM 0 H GLN A 254 -0.113 1.629 -10.190 1.00 0.36 H new ATOM 0 HA GLN A 254 2.645 2.259 -9.432 1.00 0.43 H new ATOM 0 HB2 GLN A 254 0.710 3.572 -11.366 1.00 0.70 H new ATOM 0 HB3 GLN A 254 2.376 4.054 -11.117 1.00 0.70 H new ATOM 0 HG2 GLN A 254 1.374 1.432 -12.265 1.00 1.00 H new ATOM 0 HG3 GLN A 254 2.253 2.694 -13.106 1.00 1.00 H new ATOM 0 HE21 GLN A 254 2.629 -0.314 -12.111 1.00 2.21 H new ATOM 0 HE22 GLN A 254 4.331 -0.316 -11.639 1.00 2.21 H new ATOM 775 N MET A 255 0.968 4.907 -9.163 1.00 0.59 N ATOM 776 CA MET A 255 0.612 6.024 -8.301 1.00 0.61 C ATOM 777 C MET A 255 -0.204 7.056 -9.069 1.00 0.65 C ATOM 778 O MET A 255 0.049 7.311 -10.246 1.00 0.95 O ATOM 779 CB MET A 255 1.872 6.665 -7.704 1.00 0.95 C ATOM 780 CG MET A 255 2.921 7.036 -8.737 1.00 1.58 C ATOM 781 SD MET A 255 4.455 7.627 -7.991 1.00 2.30 S ATOM 782 CE MET A 255 4.883 6.235 -6.946 1.00 2.61 C ATOM 0 H MET A 255 0.953 5.123 -10.160 1.00 0.59 H new ATOM 0 HA MET A 255 -0.001 5.645 -7.483 1.00 0.61 H new ATOM 0 HB2 MET A 255 1.586 7.561 -7.153 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.313 5.975 -6.984 1.00 0.95 H new ATOM 0 HG2 MET A 255 3.136 6.167 -9.359 1.00 1.58 H new ATOM 0 HG3 MET A 255 2.521 7.808 -9.394 1.00 1.58 H new ATOM 0 HE1 MET A 255 4.772 6.518 -5.899 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.222 5.397 -7.168 1.00 2.61 H new ATOM 0 HE3 MET A 255 5.916 5.942 -7.135 1.00 2.61 H new ATOM 792 N SER A 256 -1.246 7.567 -8.430 1.00 0.57 N ATOM 793 CA SER A 256 -2.168 8.495 -9.069 1.00 0.69 C ATOM 794 C SER A 256 -2.803 9.424 -8.033 1.00 1.00 C ATOM 795 O SER A 256 -2.671 9.210 -6.829 1.00 1.47 O ATOM 796 CB SER A 256 -3.262 7.725 -9.817 1.00 0.76 C ATOM 797 OG SER A 256 -2.712 6.900 -10.834 1.00 1.64 O ATOM 0 H SER A 256 -1.476 7.352 -7.460 1.00 0.57 H new ATOM 0 HA SER A 256 -1.606 9.099 -9.781 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.824 7.111 -9.113 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.967 8.429 -10.259 1.00 0.76 H new ATOM 0 HG SER A 256 -3.434 6.421 -11.292 1.00 1.64 H new ATOM 803 N GLY A 257 -3.414 10.499 -8.511 1.00 1.01 N ATOM 804 CA GLY A 257 -4.007 11.482 -7.629 1.00 1.41 C ATOM 805 C GLY A 257 -5.301 11.013 -6.991 1.00 1.28 C ATOM 806 O GLY A 257 -5.624 11.419 -5.874 1.00 1.69 O ATOM 0 H GLY A 257 -3.510 10.708 -9.505 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -3.293 11.733 -6.844 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -4.198 12.396 -8.191 1.00 1.41 H new ATOM 810 N SER A 258 -6.098 10.259 -7.738 1.00 1.07 N ATOM 811 CA SER A 258 -7.413 9.839 -7.265 1.00 0.96 C ATOM 812 C SER A 258 -7.386 8.420 -6.686 1.00 0.74 C ATOM 813 O SER A 258 -8.405 7.923 -6.209 1.00 1.14 O ATOM 814 CB SER A 258 -8.429 9.924 -8.407 1.00 1.08 C ATOM 815 OG SER A 258 -8.449 11.223 -8.977 1.00 1.77 O ATOM 0 H SER A 258 -5.858 9.926 -8.672 1.00 1.07 H new ATOM 0 HA SER A 258 -7.709 10.514 -6.462 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.181 9.191 -9.174 1.00 1.08 H new ATOM 0 HB3 SER A 258 -9.422 9.672 -8.034 1.00 1.08 H new ATOM 0 HG SER A 258 -9.104 11.251 -9.705 1.00 1.77 H new ATOM 821 N LYS A 259 -6.225 7.775 -6.743 1.00 0.51 N ATOM 822 CA LYS A 259 -6.047 6.414 -6.230 1.00 0.37 C ATOM 823 C LYS A 259 -4.573 6.059 -6.308 1.00 0.33 C ATOM 824 O LYS A 259 -3.855 6.683 -7.078 1.00 0.45 O ATOM 825 CB LYS A 259 -6.882 5.390 -7.018 1.00 0.48 C ATOM 826 CG LYS A 259 -6.427 5.151 -8.454 1.00 1.11 C ATOM 827 CD LYS A 259 -6.920 6.233 -9.406 1.00 1.59 C ATOM 828 CE LYS A 259 -8.441 6.286 -9.455 1.00 2.02 C ATOM 829 NZ LYS A 259 -9.036 5.013 -9.944 1.00 2.41 N ATOM 0 H LYS A 259 -5.379 8.178 -7.145 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.394 6.381 -5.197 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.861 4.440 -6.484 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -7.919 5.725 -7.033 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -5.338 5.111 -8.486 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -6.791 4.181 -8.791 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -6.532 7.201 -9.090 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -6.530 6.044 -10.406 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -8.827 6.506 -8.459 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -8.753 7.103 -10.105 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -10.048 5.155 -10.137 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -8.555 4.718 -10.817 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -8.922 4.276 -9.220 1.00 2.41 H new ATOM 843 N TYR A 260 -4.101 5.126 -5.469 1.00 0.24 N ATOM 844 CA TYR A 260 -2.673 4.813 -5.416 1.00 0.27 C ATOM 845 C TYR A 260 -1.890 6.089 -5.103 1.00 0.27 C ATOM 846 O TYR A 260 -0.975 6.470 -5.829 1.00 0.29 O ATOM 847 CB TYR A 260 -2.184 4.204 -6.740 1.00 0.33 C ATOM 848 CG TYR A 260 -3.147 3.214 -7.359 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.761 2.240 -6.580 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.428 3.237 -8.720 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.628 1.321 -7.139 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.289 2.320 -9.284 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.944 1.425 -8.500 1.00 0.95 C ATOM 854 OH TYR A 260 -5.741 0.448 -9.061 1.00 1.24 O ATOM 0 H TYR A 260 -4.680 4.584 -4.828 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.508 4.075 -4.631 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -2.000 5.009 -7.452 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.229 3.707 -6.568 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.557 2.201 -5.520 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.964 3.985 -9.346 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.056 0.534 -6.536 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.443 2.313 -10.353 1.00 1.11 H new ATOM 0 HH TYR A 260 -5.881 0.645 -10.011 1.00 1.24 H new ATOM 864 N ILE A 261 -2.359 6.809 -4.099 1.00 0.26 N ATOM 865 CA ILE A 261 -1.816 8.115 -3.762 1.00 0.27 C ATOM 866 C ILE A 261 -0.578 7.981 -2.881 1.00 0.28 C ATOM 867 O ILE A 261 -0.630 7.382 -1.815 1.00 0.35 O ATOM 868 CB ILE A 261 -2.876 8.951 -3.014 1.00 0.29 C ATOM 869 CG1 ILE A 261 -4.141 9.113 -3.863 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.316 10.301 -2.622 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.261 9.842 -3.148 1.00 0.39 C ATOM 0 H ILE A 261 -3.124 6.507 -3.496 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.538 8.612 -4.691 1.00 0.27 H new ATOM 0 HB ILE A 261 -3.146 8.418 -2.103 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.890 9.655 -4.775 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.495 8.127 -4.165 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -3.080 10.873 -2.096 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.454 10.162 -1.970 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -2.010 10.842 -3.517 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -6.124 9.920 -3.809 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.540 9.290 -2.250 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.925 10.841 -2.870 1.00 0.39 H new ATOM 883 N PHE A 262 0.537 8.535 -3.319 1.00 0.30 N ATOM 884 CA PHE A 262 1.766 8.441 -2.543 1.00 0.32 C ATOM 885 C PHE A 262 1.827 9.519 -1.455 1.00 0.30 C ATOM 886 O PHE A 262 1.502 10.684 -1.698 1.00 0.37 O ATOM 887 CB PHE A 262 2.993 8.505 -3.464 1.00 0.46 C ATOM 888 CG PHE A 262 3.072 9.732 -4.334 1.00 0.63 C ATOM 889 CD1 PHE A 262 3.683 10.886 -3.870 1.00 0.87 C ATOM 890 CD2 PHE A 262 2.511 9.741 -5.603 1.00 0.84 C ATOM 891 CE1 PHE A 262 3.742 12.020 -4.654 1.00 1.13 C ATOM 892 CE2 PHE A 262 2.568 10.872 -6.392 1.00 1.09 C ATOM 893 CZ PHE A 262 3.251 11.979 -5.960 1.00 1.18 C ATOM 0 H PHE A 262 0.621 9.049 -4.196 1.00 0.30 H new ATOM 0 HA PHE A 262 1.772 7.475 -2.038 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.892 8.455 -2.850 1.00 0.46 H new ATOM 0 HB3 PHE A 262 2.994 7.623 -4.104 1.00 0.46 H new ATOM 0 HD1 PHE A 262 4.119 10.898 -2.882 1.00 0.87 H new ATOM 0 HD2 PHE A 262 2.024 8.853 -5.978 1.00 0.84 H new ATOM 0 HE1 PHE A 262 4.165 12.932 -4.260 1.00 1.13 H new ATOM 0 HE2 PHE A 262 2.073 10.885 -7.352 1.00 1.09 H new ATOM 0 HZ PHE A 262 3.408 12.814 -6.626 1.00 1.18 H new ATOM 903 N GLU A 263 2.214 9.106 -0.252 1.00 0.26 N ATOM 904 CA GLU A 263 2.327 10.006 0.893 1.00 0.30 C ATOM 905 C GLU A 263 3.491 9.561 1.772 1.00 0.28 C ATOM 906 O GLU A 263 3.804 8.373 1.821 1.00 0.33 O ATOM 907 CB GLU A 263 1.017 10.026 1.691 1.00 0.37 C ATOM 908 CG GLU A 263 1.056 10.916 2.925 1.00 0.56 C ATOM 909 CD GLU A 263 -0.314 11.143 3.537 1.00 1.07 C ATOM 910 OE1 GLU A 263 -1.317 10.705 2.941 1.00 1.79 O ATOM 911 OE2 GLU A 263 -0.392 11.793 4.601 1.00 1.73 O ATOM 0 H GLU A 263 2.458 8.138 -0.042 1.00 0.26 H new ATOM 0 HA GLU A 263 2.517 11.019 0.539 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.211 10.363 1.038 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.775 9.008 1.997 1.00 0.37 H new ATOM 0 HG2 GLU A 263 1.711 10.465 3.671 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.492 11.878 2.658 1.00 0.56 H new ATOM 918 N SER A 264 4.216 10.513 2.338 1.00 0.34 N ATOM 919 CA SER A 264 5.435 10.199 3.074 1.00 0.36 C ATOM 920 C SER A 264 5.421 10.825 4.466 1.00 0.34 C ATOM 921 O SER A 264 5.247 12.038 4.611 1.00 0.39 O ATOM 922 CB SER A 264 6.643 10.719 2.296 1.00 0.46 C ATOM 923 OG SER A 264 6.455 10.561 0.899 1.00 1.41 O ATOM 0 H SER A 264 3.985 11.506 2.303 1.00 0.34 H new ATOM 0 HA SER A 264 5.496 9.117 3.188 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.804 11.772 2.528 1.00 0.46 H new ATOM 0 HB3 SER A 264 7.539 10.183 2.609 1.00 0.46 H new ATOM 0 HG SER A 264 7.240 10.902 0.423 1.00 1.41 H new ATOM 929 N ILE A 265 5.658 10.007 5.484 1.00 0.31 N ATOM 930 CA ILE A 265 5.726 10.497 6.856 1.00 0.34 C ATOM 931 C ILE A 265 6.970 9.960 7.562 1.00 0.38 C ATOM 932 O ILE A 265 6.997 8.803 7.990 1.00 0.42 O ATOM 933 CB ILE A 265 4.479 10.098 7.679 1.00 0.42 C ATOM 934 CG1 ILE A 265 3.203 10.579 6.991 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.565 10.671 9.089 1.00 0.73 C ATOM 936 CD1 ILE A 265 2.524 9.519 6.149 1.00 1.31 C ATOM 0 H ILE A 265 5.806 9.003 5.386 1.00 0.31 H new ATOM 0 HA ILE A 265 5.771 11.584 6.794 1.00 0.34 H new ATOM 0 HB ILE A 265 4.448 9.010 7.745 1.00 0.42 H new ATOM 0 HG12 ILE A 265 2.503 10.930 7.749 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.443 11.433 6.358 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.679 10.381 9.654 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.455 10.284 9.585 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.622 11.758 9.037 1.00 0.73 H new ATOM 0 HD11 ILE A 265 1.626 9.936 5.693 1.00 1.31 H new ATOM 0 HD12 ILE A 265 3.205 9.184 5.367 1.00 1.31 H new ATOM 0 HD13 ILE A 265 2.251 8.673 6.780 1.00 1.31 H new ATOM 948 N GLY A 266 7.974 10.821 7.726 1.00 0.48 N ATOM 949 CA GLY A 266 9.187 10.447 8.441 1.00 0.65 C ATOM 950 C GLY A 266 9.749 9.114 7.987 1.00 0.86 C ATOM 951 O GLY A 266 9.747 8.151 8.760 1.00 1.93 O ATOM 0 H GLY A 266 7.969 11.778 7.374 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.941 11.221 8.299 1.00 0.65 H new ATOM 0 HA3 GLY A 266 8.974 10.402 9.509 1.00 0.65 H new ATOM 955 N ALA A 267 10.032 9.021 6.684 1.00 0.48 N ATOM 956 CA ALA A 267 10.441 7.775 6.026 1.00 0.39 C ATOM 957 C ALA A 267 9.266 6.843 5.812 1.00 0.30 C ATOM 958 O ALA A 267 9.219 6.118 4.817 1.00 0.32 O ATOM 959 CB ALA A 267 11.514 7.034 6.795 1.00 0.44 C ATOM 0 H ALA A 267 9.983 9.818 6.049 1.00 0.48 H new ATOM 0 HA ALA A 267 10.850 8.077 5.062 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.778 6.120 6.262 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.396 7.667 6.890 1.00 0.44 H new ATOM 0 HB3 ALA A 267 11.141 6.781 7.787 1.00 0.44 H new ATOM 965 N LYS A 268 8.370 6.789 6.785 1.00 0.26 N ATOM 966 CA LYS A 268 7.248 5.889 6.709 1.00 0.25 C ATOM 967 C LYS A 268 6.358 6.286 5.551 1.00 0.29 C ATOM 968 O LYS A 268 5.802 7.385 5.509 1.00 0.47 O ATOM 969 CB LYS A 268 6.480 5.857 8.025 1.00 0.28 C ATOM 970 CG LYS A 268 7.274 5.217 9.152 1.00 0.30 C ATOM 971 CD LYS A 268 6.614 5.450 10.499 1.00 0.41 C ATOM 972 CE LYS A 268 6.561 6.931 10.841 1.00 1.20 C ATOM 973 NZ LYS A 268 7.917 7.545 10.902 1.00 2.00 N ATOM 0 H LYS A 268 8.404 7.359 7.630 1.00 0.26 H new ATOM 0 HA LYS A 268 7.614 4.877 6.532 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.210 6.874 8.308 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.549 5.308 7.884 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.366 4.146 8.971 1.00 0.30 H new ATOM 0 HG3 LYS A 268 8.284 5.626 9.165 1.00 0.30 H new ATOM 0 HD2 LYS A 268 5.604 5.041 10.487 1.00 0.41 H new ATOM 0 HD3 LYS A 268 7.165 4.916 11.273 1.00 0.41 H new ATOM 0 HE2 LYS A 268 5.961 7.453 10.095 1.00 1.20 H new ATOM 0 HE3 LYS A 268 6.061 7.063 11.801 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 7.856 8.476 11.362 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 8.553 6.929 11.448 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 8.290 7.659 9.938 1.00 2.00 H new ATOM 987 N ARG A 269 6.389 5.452 4.540 1.00 0.16 N ATOM 988 CA ARG A 269 5.725 5.736 3.299 1.00 0.16 C ATOM 989 C ARG A 269 4.285 5.257 3.339 1.00 0.18 C ATOM 990 O ARG A 269 3.928 4.394 4.138 1.00 0.17 O ATOM 991 CB ARG A 269 6.478 5.089 2.141 1.00 0.20 C ATOM 992 CG ARG A 269 5.980 5.537 0.795 1.00 0.53 C ATOM 993 CD ARG A 269 6.238 7.017 0.554 1.00 0.79 C ATOM 994 NE ARG A 269 7.644 7.387 0.730 1.00 0.69 N ATOM 995 CZ ARG A 269 8.258 8.313 -0.011 1.00 0.97 C ATOM 996 NH1 ARG A 269 7.691 8.748 -1.130 1.00 1.85 N ATOM 997 NH2 ARG A 269 9.453 8.768 0.341 1.00 1.17 N ATOM 0 H ARG A 269 6.877 4.557 4.558 1.00 0.16 H new ATOM 0 HA ARG A 269 5.716 6.815 3.148 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.539 5.325 2.227 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.386 4.005 2.215 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.468 4.952 0.015 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.911 5.339 0.720 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.923 7.275 -0.457 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.625 7.604 1.238 1.00 0.79 H new ATOM 0 HE ARG A 269 8.182 6.913 1.456 1.00 0.69 H new ATOM 0 HH11 ARG A 269 6.788 8.375 -1.422 1.00 1.85 H new ATOM 0 HH12 ARG A 269 8.159 9.455 -1.697 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.908 8.411 1.181 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.917 9.475 -0.229 1.00 1.17 H new ATOM 1011 N THR A 270 3.433 5.943 2.610 1.00 0.18 N ATOM 1012 CA THR A 270 2.022 5.654 2.623 1.00 0.18 C ATOM 1013 C THR A 270 1.439 5.652 1.215 1.00 0.19 C ATOM 1014 O THR A 270 1.650 6.591 0.441 1.00 0.22 O ATOM 1015 CB THR A 270 1.276 6.678 3.494 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.691 6.550 4.861 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.223 6.495 3.388 1.00 0.24 C ATOM 0 H THR A 270 3.700 6.712 1.996 1.00 0.18 H new ATOM 0 HA THR A 270 1.893 4.657 3.045 1.00 0.18 H new ATOM 0 HB THR A 270 1.522 7.677 3.133 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.214 7.206 5.411 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.725 7.233 4.014 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.533 6.628 2.352 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.492 5.493 3.722 1.00 0.24 H new ATOM 1025 N LEU A 271 0.647 4.628 0.922 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.087 4.572 -0.331 1.00 0.17 C ATOM 1027 C LEU A 271 -1.572 4.772 -0.057 1.00 0.16 C ATOM 1028 O LEU A 271 -2.259 3.844 0.343 1.00 0.17 O ATOM 1029 CB LEU A 271 0.140 3.222 -1.018 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.284 3.114 -2.491 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.786 2.913 -2.632 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.176 4.338 -3.263 1.00 0.49 C ATOM 0 H LEU A 271 0.498 3.827 1.536 1.00 0.17 H new ATOM 0 HA LEU A 271 0.270 5.363 -0.991 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.201 2.981 -0.951 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.396 2.459 -0.453 1.00 0.20 H new ATOM 0 HG LEU A 271 0.199 2.233 -2.914 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.046 2.841 -3.688 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.080 1.995 -2.123 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.310 3.759 -2.186 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.131 4.248 -4.305 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.272 5.232 -2.829 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.262 4.414 -3.210 1.00 0.49 H new ATOM 1044 N THR A 272 -2.072 5.959 -0.293 1.00 0.18 N ATOM 1045 CA THR A 272 -3.474 6.226 -0.082 1.00 0.21 C ATOM 1046 C THR A 272 -4.287 5.741 -1.276 1.00 0.22 C ATOM 1047 O THR A 272 -4.267 6.331 -2.354 1.00 0.29 O ATOM 1048 CB THR A 272 -3.730 7.720 0.162 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.756 8.227 1.081 1.00 0.33 O ATOM 1050 CG2 THR A 272 -5.120 7.941 0.730 1.00 0.30 C ATOM 0 H THR A 272 -1.531 6.755 -0.631 1.00 0.18 H new ATOM 0 HA THR A 272 -3.788 5.683 0.809 1.00 0.21 H new ATOM 0 HB THR A 272 -3.654 8.246 -0.790 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.918 9.181 1.236 1.00 0.33 H new ATOM 0 HG21 THR A 272 -5.280 9.006 0.895 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.864 7.567 0.027 1.00 0.30 H new ATOM 0 HG23 THR A 272 -5.215 7.409 1.676 1.00 0.30 H new ATOM 1058 N ILE A 273 -4.999 4.658 -1.075 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.842 4.103 -2.107 1.00 0.26 C ATOM 1060 C ILE A 273 -7.265 4.624 -1.930 1.00 0.28 C ATOM 1061 O ILE A 273 -7.779 4.711 -0.805 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.795 2.549 -2.115 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.616 2.027 -3.545 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -7.034 1.933 -1.485 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.785 2.319 -4.464 1.00 0.86 C ATOM 0 H ILE A 273 -5.011 4.139 -0.197 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.467 4.425 -3.079 1.00 0.26 H new ATOM 0 HB ILE A 273 -4.938 2.250 -1.511 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.715 2.468 -3.971 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.457 0.949 -3.509 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -6.955 0.846 -1.514 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.118 2.263 -0.450 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.918 2.247 -2.039 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -6.578 1.916 -5.456 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.687 1.854 -4.065 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.933 3.397 -4.534 1.00 0.86 H new ATOM 1077 N SER A 274 -7.831 5.100 -3.024 1.00 0.33 N ATOM 1078 CA SER A 274 -9.139 5.719 -3.013 1.00 0.39 C ATOM 1079 C SER A 274 -10.044 5.023 -4.022 1.00 0.45 C ATOM 1080 O SER A 274 -9.548 4.420 -4.979 1.00 0.50 O ATOM 1081 CB SER A 274 -9.004 7.200 -3.350 1.00 0.52 C ATOM 1082 OG SER A 274 -7.953 7.794 -2.608 1.00 1.13 O ATOM 0 H SER A 274 -7.394 5.067 -3.945 1.00 0.33 H new ATOM 0 HA SER A 274 -9.582 5.623 -2.022 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.813 7.318 -4.417 1.00 0.52 H new ATOM 0 HB3 SER A 274 -9.941 7.713 -3.135 1.00 0.52 H new ATOM 0 HG SER A 274 -7.884 8.743 -2.841 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.347 5.008 -3.740 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.312 4.276 -4.557 1.00 0.62 C ATOM 1090 C GLN A 275 -11.964 2.797 -4.522 1.00 0.62 C ATOM 1091 O GLN A 275 -11.607 2.202 -5.536 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.328 4.794 -6.001 1.00 0.75 C ATOM 1093 CG GLN A 275 -12.553 6.294 -6.107 1.00 0.90 C ATOM 1094 CD GLN A 275 -12.487 6.792 -7.536 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -11.528 6.524 -8.260 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -13.510 7.519 -7.955 1.00 2.27 N ATOM 0 H GLN A 275 -11.759 5.498 -2.946 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.311 4.429 -4.149 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.381 4.542 -6.479 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.112 4.277 -6.555 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -13.526 6.543 -5.684 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -11.804 6.813 -5.510 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -14.286 7.719 -7.324 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -13.523 7.879 -8.909 1.00 2.27 H new ATOM 1105 N CYS A 276 -11.933 2.255 -3.314 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.469 0.901 -3.083 1.00 0.69 C ATOM 1107 C CYS A 276 -12.125 0.391 -1.821 1.00 0.75 C ATOM 1108 O CYS A 276 -11.468 0.100 -0.824 1.00 1.27 O ATOM 1109 CB CYS A 276 -9.940 0.888 -2.961 1.00 0.80 C ATOM 1110 SG CYS A 276 -9.213 -0.736 -2.642 1.00 2.00 S ATOM 0 H CYS A 276 -12.229 2.743 -2.469 1.00 0.60 H new ATOM 0 HA CYS A 276 -11.737 0.252 -3.917 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.514 1.286 -3.882 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.649 1.564 -2.157 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.816 -1.291 -1.633 1.00 2.00 H new ATOM 1116 N SER A 277 -13.438 0.471 -1.824 1.00 0.54 N ATOM 1117 CA SER A 277 -14.221 0.158 -0.659 1.00 0.52 C ATOM 1118 C SER A 277 -14.651 -1.314 -0.666 1.00 0.48 C ATOM 1119 O SER A 277 -13.818 -2.203 -0.861 1.00 0.47 O ATOM 1120 CB SER A 277 -15.431 1.080 -0.600 1.00 0.56 C ATOM 1121 OG SER A 277 -16.132 1.083 -1.830 1.00 0.63 O ATOM 0 H SER A 277 -13.988 0.755 -2.635 1.00 0.54 H new ATOM 0 HA SER A 277 -13.612 0.315 0.231 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.097 0.759 0.201 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.108 2.093 -0.360 1.00 0.56 H new ATOM 0 HG SER A 277 -16.905 1.682 -1.764 1.00 0.63 H new ATOM 1127 N LEU A 278 -15.941 -1.567 -0.420 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.473 -2.926 -0.325 1.00 0.54 C ATOM 1129 C LEU A 278 -16.537 -3.622 -1.686 1.00 0.58 C ATOM 1130 O LEU A 278 -17.595 -4.104 -2.094 1.00 0.71 O ATOM 1131 CB LEU A 278 -17.869 -2.910 0.305 1.00 0.63 C ATOM 1132 CG LEU A 278 -17.949 -3.419 1.746 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -17.552 -4.885 1.819 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.069 -2.581 2.656 1.00 0.79 C ATOM 0 H LEU A 278 -16.641 -0.838 -0.282 1.00 0.51 H new ATOM 0 HA LEU A 278 -15.787 -3.490 0.307 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.249 -1.889 0.278 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.534 -3.514 -0.312 1.00 0.63 H new ATOM 0 HG LEU A 278 -18.981 -3.327 2.086 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -17.615 -5.228 2.852 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -18.226 -5.476 1.198 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -16.530 -5.003 1.459 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.138 -2.957 3.677 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.035 -2.640 2.317 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.401 -1.543 2.629 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.408 -3.708 -2.367 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.348 -4.376 -3.657 1.00 0.61 C ATOM 1148 C ALA A 279 -13.931 -4.838 -3.960 1.00 0.58 C ATOM 1149 O ALA A 279 -13.709 -5.992 -4.321 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.856 -3.452 -4.755 1.00 0.71 C ATOM 0 H ALA A 279 -14.519 -3.323 -2.048 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.990 -5.256 -3.619 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.805 -3.966 -5.715 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.889 -3.173 -4.547 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.238 -2.555 -4.790 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.972 -3.932 -3.815 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.571 -4.238 -4.105 1.00 0.59 C ATOM 1158 C ASP A 280 -10.911 -5.007 -2.963 1.00 0.50 C ATOM 1159 O ASP A 280 -9.724 -5.331 -3.030 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.791 -2.958 -4.390 1.00 0.70 C ATOM 1161 CG ASP A 280 -11.133 -2.355 -5.736 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -10.942 -3.031 -6.766 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -11.609 -1.201 -5.770 1.00 1.84 O ATOM 0 H ASP A 280 -13.136 -2.977 -3.498 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.555 -4.873 -4.991 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -10.998 -2.229 -3.606 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.723 -3.172 -4.353 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.710 -5.343 -1.957 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.271 -6.157 -0.821 1.00 0.33 C ATOM 1170 C ASP A 281 -10.554 -7.414 -1.309 1.00 0.34 C ATOM 1171 O ASP A 281 -11.115 -8.178 -2.100 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.504 -6.536 0.012 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.190 -7.326 1.270 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.706 -8.471 1.143 1.00 0.81 O ATOM 1175 OD2 ASP A 281 -12.389 -6.800 2.386 1.00 1.12 O ATOM 0 H ASP A 281 -12.688 -5.058 -1.903 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.570 -5.588 -0.210 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.033 -5.625 0.292 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.182 -7.120 -0.610 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.306 -7.597 -0.860 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.472 -8.739 -1.260 1.00 0.37 C ATOM 1182 C ALA A 282 -7.061 -8.620 -0.673 1.00 0.35 C ATOM 1183 O ALA A 282 -6.851 -8.953 0.491 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.408 -8.875 -2.772 1.00 0.48 C ATOM 0 H ALA A 282 -8.846 -6.959 -0.210 1.00 0.31 H new ATOM 0 HA ALA A 282 -8.937 -9.640 -0.860 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.783 -9.729 -3.034 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.413 -9.025 -3.167 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -7.982 -7.968 -3.201 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.090 -8.160 -1.476 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.716 -7.962 -0.993 1.00 0.17 C ATOM 1192 C ALA A 283 -3.998 -6.861 -1.781 1.00 0.15 C ATOM 1193 O ALA A 283 -3.923 -6.930 -3.002 1.00 0.19 O ATOM 1194 CB ALA A 283 -3.930 -9.266 -1.069 1.00 0.22 C ATOM 0 H ALA A 283 -6.230 -7.919 -2.457 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.773 -7.645 0.048 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -2.915 -9.101 -0.708 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.417 -10.021 -0.451 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -3.895 -9.610 -2.103 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.325 -5.942 -1.092 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.469 -4.974 -1.794 1.00 0.13 C ATOM 1202 C TYR A 284 -1.016 -5.129 -1.348 1.00 0.14 C ATOM 1203 O TYR A 284 -0.674 -4.877 -0.203 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.926 -3.505 -1.606 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.106 -3.088 -2.484 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.044 -4.024 -2.953 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.290 -1.758 -2.841 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.107 -3.626 -3.742 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.354 -1.364 -3.628 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.259 -2.353 -4.098 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.314 -1.910 -4.865 1.00 0.41 O ATOM 0 H TYR A 284 -3.349 -5.843 -0.077 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.557 -5.199 -2.857 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.196 -3.353 -0.561 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.083 -2.846 -1.816 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -4.933 -5.067 -2.694 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.585 -1.016 -2.495 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.826 -4.360 -4.075 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.495 -0.324 -3.881 1.00 0.32 H new ATOM 0 HH TYR A 284 -8.036 -1.600 -4.280 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.167 -5.530 -2.275 1.00 0.13 N ATOM 1222 CA GLN A 285 1.247 -5.700 -2.010 1.00 0.13 C ATOM 1223 C GLN A 285 1.982 -4.367 -2.121 1.00 0.12 C ATOM 1224 O GLN A 285 1.435 -3.386 -2.623 1.00 0.13 O ATOM 1225 CB GLN A 285 1.870 -6.711 -2.979 1.00 0.12 C ATOM 1226 CG GLN A 285 1.205 -8.080 -2.981 1.00 0.15 C ATOM 1227 CD GLN A 285 -0.073 -8.147 -3.799 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.293 -7.171 -4.664 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.844 -9.096 -3.675 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.440 -5.747 -3.234 1.00 0.13 H new ATOM 0 HA GLN A 285 1.348 -6.079 -0.993 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.829 -6.300 -3.988 1.00 0.12 H new ATOM 0 HB3 GLN A 285 2.923 -6.834 -2.727 1.00 0.12 H new ATOM 0 HG2 GLN A 285 1.911 -8.814 -3.369 1.00 0.15 H new ATOM 0 HG3 GLN A 285 0.981 -8.365 -1.953 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.643 -9.831 -2.997 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.685 -9.148 -4.250 1.00 0.18 H new ATOM 1238 N CYS A 286 3.227 -4.347 -1.678 1.00 0.14 N ATOM 1239 CA CYS A 286 4.043 -3.137 -1.733 1.00 0.19 C ATOM 1240 C CYS A 286 5.326 -3.388 -2.470 1.00 0.19 C ATOM 1241 O CYS A 286 5.829 -4.502 -2.444 1.00 0.20 O ATOM 1242 CB CYS A 286 4.358 -2.667 -0.349 1.00 0.28 C ATOM 1243 SG CYS A 286 5.217 -3.880 0.681 1.00 1.00 S ATOM 0 H CYS A 286 3.700 -5.155 -1.274 1.00 0.14 H new ATOM 0 HA CYS A 286 3.474 -2.373 -2.263 1.00 0.19 H new ATOM 0 HB2 CYS A 286 4.970 -1.768 -0.415 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.428 -2.384 0.145 1.00 0.28 H new ATOM 0 HG CYS A 286 6.407 -3.442 0.966 1.00 1.00 H new ATOM 1249 N VAL A 287 5.714 -2.447 -3.319 1.00 0.20 N ATOM 1250 CA VAL A 287 6.753 -2.737 -4.283 1.00 0.21 C ATOM 1251 C VAL A 287 7.680 -1.545 -4.566 1.00 0.22 C ATOM 1252 O VAL A 287 7.263 -0.391 -4.668 1.00 0.24 O ATOM 1253 CB VAL A 287 6.112 -3.301 -5.582 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.616 -3.515 -5.362 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.358 -2.415 -6.794 1.00 0.27 C ATOM 0 H VAL A 287 5.334 -1.501 -3.358 1.00 0.20 H new ATOM 0 HA VAL A 287 7.404 -3.495 -3.846 1.00 0.21 H new ATOM 0 HB VAL A 287 6.593 -4.255 -5.799 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.167 -3.910 -6.273 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.466 -4.223 -4.547 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.146 -2.565 -5.109 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.887 -2.859 -7.671 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.933 -1.427 -6.615 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.430 -2.323 -6.965 1.00 0.27 H new ATOM 1265 N VAL A 288 8.957 -1.843 -4.701 1.00 0.24 N ATOM 1266 CA VAL A 288 9.952 -0.833 -5.019 1.00 0.26 C ATOM 1267 C VAL A 288 10.982 -1.429 -5.964 1.00 0.33 C ATOM 1268 O VAL A 288 11.599 -2.451 -5.650 1.00 0.37 O ATOM 1269 CB VAL A 288 10.654 -0.295 -3.749 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.924 0.455 -4.104 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.724 0.612 -2.959 1.00 0.36 C ATOM 0 H VAL A 288 9.334 -2.785 -4.595 1.00 0.24 H new ATOM 0 HA VAL A 288 9.445 0.007 -5.493 1.00 0.26 H new ATOM 0 HB VAL A 288 10.917 -1.153 -3.131 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.397 0.822 -3.193 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.609 -0.215 -4.624 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.680 1.298 -4.751 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.240 0.978 -2.071 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.426 1.457 -3.580 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.838 0.052 -2.659 1.00 0.36 H new ATOM 1281 N GLY A 289 11.073 -0.866 -7.164 1.00 0.43 N ATOM 1282 CA GLY A 289 11.949 -1.409 -8.189 1.00 0.57 C ATOM 1283 C GLY A 289 11.375 -2.656 -8.850 1.00 0.73 C ATOM 1284 O GLY A 289 11.471 -2.827 -10.068 1.00 1.51 O ATOM 0 H GLY A 289 10.552 -0.037 -7.448 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.127 -0.649 -8.949 1.00 0.57 H new ATOM 0 HA3 GLY A 289 12.915 -1.649 -7.746 1.00 0.57 H new ATOM 1288 N GLY A 290 10.812 -3.535 -8.038 1.00 0.41 N ATOM 1289 CA GLY A 290 10.251 -4.780 -8.528 1.00 0.41 C ATOM 1290 C GLY A 290 9.739 -5.639 -7.392 1.00 0.37 C ATOM 1291 O GLY A 290 8.779 -6.394 -7.552 1.00 0.64 O ATOM 0 H GLY A 290 10.732 -3.406 -7.029 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.437 -4.566 -9.220 1.00 0.41 H new ATOM 0 HA3 GLY A 290 11.010 -5.328 -9.087 1.00 0.41 H new ATOM 1295 N GLU A 291 10.422 -5.549 -6.258 1.00 0.27 N ATOM 1296 CA GLU A 291 10.091 -6.328 -5.072 1.00 0.22 C ATOM 1297 C GLU A 291 8.687 -6.003 -4.566 1.00 0.16 C ATOM 1298 O GLU A 291 8.418 -4.861 -4.235 1.00 0.19 O ATOM 1299 CB GLU A 291 11.107 -6.007 -3.967 1.00 0.26 C ATOM 1300 CG GLU A 291 12.482 -6.621 -4.184 1.00 0.53 C ATOM 1301 CD GLU A 291 13.420 -5.704 -4.941 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.126 -5.364 -6.102 1.00 2.11 O ATOM 1303 OE2 GLU A 291 14.452 -5.301 -4.367 1.00 2.19 O ATOM 0 H GLU A 291 11.224 -4.931 -6.135 1.00 0.27 H new ATOM 0 HA GLU A 291 10.124 -7.385 -5.334 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.213 -4.925 -3.890 1.00 0.26 H new ATOM 0 HB3 GLU A 291 10.712 -6.357 -3.013 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.922 -6.866 -3.218 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.375 -7.557 -4.732 1.00 0.53 H new ATOM 1310 N LYS A 292 7.837 -7.025 -4.417 1.00 0.18 N ATOM 1311 CA LYS A 292 6.491 -6.847 -3.864 1.00 0.16 C ATOM 1312 C LYS A 292 6.278 -7.701 -2.609 1.00 0.17 C ATOM 1313 O LYS A 292 6.642 -8.878 -2.569 1.00 0.29 O ATOM 1314 CB LYS A 292 5.419 -7.149 -4.909 1.00 0.18 C ATOM 1315 CG LYS A 292 5.693 -8.372 -5.759 1.00 0.23 C ATOM 1316 CD LYS A 292 4.583 -8.567 -6.775 1.00 0.29 C ATOM 1317 CE LYS A 292 4.934 -9.637 -7.793 1.00 0.49 C ATOM 1318 NZ LYS A 292 6.104 -9.256 -8.628 1.00 1.33 N ATOM 0 H LYS A 292 8.059 -7.987 -4.673 1.00 0.18 H new ATOM 0 HA LYS A 292 6.399 -5.800 -3.574 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.463 -7.282 -4.402 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.315 -6.284 -5.564 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.649 -8.260 -6.271 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.773 -9.254 -5.124 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.663 -8.843 -6.260 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.391 -7.625 -7.289 1.00 0.29 H new ATOM 0 HE2 LYS A 292 5.148 -10.572 -7.275 1.00 0.49 H new ATOM 0 HE3 LYS A 292 4.074 -9.819 -8.437 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 6.134 -9.856 -9.477 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 6.019 -8.259 -8.911 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 6.979 -9.387 -8.080 1.00 1.33 H new ATOM 1332 N CYS A 293 5.660 -7.091 -1.602 1.00 0.16 N ATOM 1333 CA CYS A 293 5.318 -7.765 -0.350 1.00 0.18 C ATOM 1334 C CYS A 293 3.826 -7.677 -0.140 1.00 0.15 C ATOM 1335 O CYS A 293 3.255 -6.598 -0.260 1.00 0.14 O ATOM 1336 CB CYS A 293 6.027 -7.122 0.839 1.00 0.28 C ATOM 1337 SG CYS A 293 7.731 -7.650 1.066 1.00 1.55 S ATOM 0 H CYS A 293 5.380 -6.111 -1.630 1.00 0.16 H new ATOM 0 HA CYS A 293 5.639 -8.804 -0.419 1.00 0.18 H new ATOM 0 HB2 CYS A 293 6.009 -6.039 0.714 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.466 -7.348 1.746 1.00 0.28 H new ATOM 0 HG CYS A 293 8.239 -7.044 2.098 1.00 1.55 H new ATOM 1343 N SER A 294 3.188 -8.815 0.041 1.00 0.17 N ATOM 1344 CA SER A 294 1.744 -8.860 0.075 1.00 0.18 C ATOM 1345 C SER A 294 1.181 -8.478 1.429 1.00 0.17 C ATOM 1346 O SER A 294 1.616 -8.972 2.470 1.00 0.20 O ATOM 1347 CB SER A 294 1.257 -10.255 -0.319 1.00 0.27 C ATOM 1348 OG SER A 294 1.914 -11.257 0.441 1.00 0.61 O ATOM 0 H SER A 294 3.646 -9.718 0.166 1.00 0.17 H new ATOM 0 HA SER A 294 1.382 -8.123 -0.642 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.180 -10.325 -0.165 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.439 -10.421 -1.381 1.00 0.27 H new ATOM 0 HG SER A 294 1.585 -12.140 0.172 1.00 0.61 H new ATOM 1354 N THR A 295 0.113 -7.712 1.381 1.00 0.17 N ATOM 1355 CA THR A 295 -0.650 -7.406 2.562 1.00 0.15 C ATOM 1356 C THR A 295 -2.123 -7.519 2.210 1.00 0.15 C ATOM 1357 O THR A 295 -2.533 -7.123 1.116 1.00 0.15 O ATOM 1358 CB THR A 295 -0.310 -6.001 3.114 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.343 -6.032 4.543 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.267 -4.929 2.615 1.00 0.20 C ATOM 0 H THR A 295 -0.246 -7.288 0.526 1.00 0.17 H new ATOM 0 HA THR A 295 -0.400 -8.112 3.354 1.00 0.15 H new ATOM 0 HB THR A 295 0.686 -5.744 2.754 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.548 -5.137 4.885 1.00 0.29 H new ATOM 0 HG21 THR A 295 -0.982 -3.964 3.033 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.223 -4.880 1.527 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.282 -5.174 2.927 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.879 -8.221 3.029 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.259 -8.489 2.698 1.00 0.15 C ATOM 1370 C GLU A 296 -5.092 -7.245 2.909 1.00 0.14 C ATOM 1371 O GLU A 296 -4.812 -6.434 3.788 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.794 -9.656 3.512 1.00 0.18 C ATOM 1373 CG GLU A 296 -3.859 -10.846 3.500 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.430 -12.046 4.216 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.439 -12.609 3.742 1.00 0.96 O ATOM 1376 OE2 GLU A 296 -3.880 -12.425 5.269 1.00 0.76 O ATOM 0 H GLU A 296 -2.564 -8.611 3.917 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.320 -8.769 1.646 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.954 -9.334 4.541 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.764 -9.956 3.117 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.636 -11.117 2.468 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -2.915 -10.565 3.967 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.022 -7.040 2.020 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.837 -5.859 2.035 1.00 0.15 C ATOM 1385 C LEU A 297 -8.248 -6.208 2.457 1.00 0.15 C ATOM 1386 O LEU A 297 -8.994 -6.831 1.697 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.842 -5.227 0.651 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.606 -3.917 0.555 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.946 -2.883 1.452 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.658 -3.443 -0.885 1.00 0.29 C ATOM 0 H LEU A 297 -6.237 -7.689 1.263 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.427 -5.147 2.751 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.811 -5.054 0.341 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.273 -5.936 -0.056 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.632 -4.066 0.891 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.492 -1.942 1.385 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -6.956 -3.236 2.483 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.916 -2.728 1.132 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -8.208 -2.504 -0.939 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.644 -3.291 -1.255 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -8.159 -4.193 -1.497 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.623 -5.757 3.639 1.00 0.14 N ATOM 1403 CA PHE A 298 -9.971 -5.959 4.134 1.00 0.19 C ATOM 1404 C PHE A 298 -10.655 -4.615 4.256 1.00 0.19 C ATOM 1405 O PHE A 298 -10.082 -3.669 4.781 1.00 0.24 O ATOM 1406 CB PHE A 298 -9.967 -6.668 5.495 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.528 -8.107 5.449 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.229 -8.448 5.104 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.418 -9.122 5.760 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.828 -9.769 5.069 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -10.024 -10.447 5.726 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.728 -10.770 5.381 1.00 0.45 C ATOM 0 H PHE A 298 -8.011 -5.247 4.276 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.510 -6.594 3.431 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.310 -6.123 6.172 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -10.971 -6.621 5.918 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.521 -7.670 4.859 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.433 -8.875 6.033 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.813 -10.019 4.798 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.730 -11.228 5.969 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.417 -11.804 5.355 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.825 -4.485 3.686 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.497 -3.206 3.712 1.00 0.28 C ATOM 1424 C VAL A 299 -13.609 -3.177 4.757 1.00 0.32 C ATOM 1425 O VAL A 299 -14.460 -4.071 4.826 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.030 -2.795 2.329 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -13.929 -3.863 1.742 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -13.748 -1.460 2.420 1.00 0.35 C ATOM 0 H VAL A 299 -12.327 -5.232 3.206 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.746 -2.469 3.998 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.181 -2.685 1.655 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.288 -3.540 0.765 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.368 -4.791 1.634 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -14.779 -4.028 2.404 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.121 -1.180 1.435 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.584 -1.543 3.114 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.055 -0.698 2.776 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.583 -2.129 5.559 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.564 -1.893 6.591 1.00 0.41 C ATOM 1440 C LYS A 300 -15.530 -0.821 6.136 1.00 0.40 C ATOM 1441 O LYS A 300 -15.115 0.255 5.712 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.858 -1.448 7.872 1.00 0.48 C ATOM 1443 CG LYS A 300 -12.972 -2.521 8.489 1.00 1.17 C ATOM 1444 CD LYS A 300 -13.756 -3.773 8.865 1.00 1.72 C ATOM 1445 CE LYS A 300 -14.679 -3.530 10.049 1.00 2.32 C ATOM 1446 NZ LYS A 300 -15.462 -4.745 10.400 1.00 3.03 N ATOM 0 H LYS A 300 -12.864 -1.407 5.507 1.00 0.33 H new ATOM 0 HA LYS A 300 -15.117 -2.812 6.786 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -13.251 -0.569 7.655 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -14.608 -1.145 8.603 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -12.183 -2.787 7.785 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -12.484 -2.120 9.378 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -14.344 -4.104 8.009 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -13.061 -4.578 9.105 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -14.090 -3.216 10.911 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -15.362 -2.713 9.816 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -16.079 -4.538 11.212 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -16.044 -5.030 9.587 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -14.811 -5.518 10.648 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.808 -1.114 6.240 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.833 -0.165 5.859 1.00 0.57 C ATOM 1462 C GLU A 301 -17.783 1.054 6.776 1.00 0.65 C ATOM 1463 O GLU A 301 -17.992 2.181 6.295 1.00 1.41 O ATOM 1464 CB GLU A 301 -19.208 -0.822 5.945 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.367 -1.998 5.006 1.00 0.66 C ATOM 1466 CD GLU A 301 -20.604 -2.811 5.301 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -21.720 -2.293 5.115 1.00 1.44 O ATOM 1468 OE2 GLU A 301 -20.462 -3.973 5.732 1.00 1.21 O ATOM 1469 OXT GLU A 301 -17.527 0.870 7.985 1.00 1.20 O ATOM 0 H GLU A 301 -17.164 -2.005 6.586 1.00 0.50 H new ATOM 0 HA GLU A 301 -17.654 0.155 4.833 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -19.380 -1.156 6.968 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -19.973 -0.079 5.719 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -19.411 -1.635 3.979 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -18.489 -2.639 5.080 1.00 0.66 H new