USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 692 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 218 LYS NZ :NH3+ 164:sc= 1.07 (180deg=-0.0335) USER MOD Set 1.2: A 295 THR OG1 : rot -154:sc= -2.55! USER MOD Set 2.1: A 251 GLN : amide:sc= 0.491 X(o=1.1,f=1.1) USER MOD Set 2.2: A 260 TYR OH : rot 150:sc= 0.643 USER MOD Set 3.1: A 248 LYS NZ :NH3+ 160:sc= 1.58 (180deg=-0.23) USER MOD Set 3.2: A 276 CYS SG : rot -40:sc= -2.35! USER MOD Set 3.3: A 284 TYR OH : rot 122:sc= 2.35 USER MOD Set 4.1: A 234 THR OG1 : rot 180:sc= 0.438 USER MOD Set 4.2: A 270 THR OG1 : rot -97:sc= 0.47 USER MOD Set 5.1: A 230 LYS NZ :NH3+ -146:sc= 0.188 (180deg=-0.0186) USER MOD Set 5.2: A 274 SER OG : rot 116:sc= 1.21 USER MOD Set 6.1: A 226 SER OG : rot -141:sc= 1.28 USER MOD Set 6.2: A 229 HIS : no HD1:sc= 1.06 K(o=2.3,f=-2.1) USER MOD Single : A 216 GLN : amide:sc=-0.00352 X(o=-0.0035,f=-0.083) USER MOD Single : A 217 LYS NZ :NH3+ -170:sc= 0.32 (180deg=0.195) USER MOD Single : A 223 TYR OH : rot -131:sc= -0.849! USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 227 LYS NZ :NH3+ 161:sc= -0.0466 (180deg=-0.328) USER MOD Single : A 240 HIS :FLIP no HE2:sc= 0.0333 F(o=-2.3,f=0.033) USER MOD Single : A 245 LYS NZ :NH3+ 136:sc= 1.02 (180deg=-0.389) USER MOD Single : A 249 ASN :FLIP amide:sc= -1.05 F(o=-2.7!,f=-1.1) USER MOD Single : A 254 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 255 MET CE :methyl 157:sc= -0.213 (180deg=-1.01) USER MOD Single : A 256 SER OG : rot -18:sc= 0.778 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 259 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 264 SER OG : rot 180:sc= 0 USER MOD Single : A 268 LYS NZ :NH3+ -115:sc= 1.27 (180deg=-0.646) 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) USER MOD Single : A 277 SER OG : rot 180:sc= 0.0203 USER MOD Single : A 285 GLN :FLIP amide:sc= -6.05! C(o=-14!,f=-6!) USER MOD Single : A 286 CYS SG : rot 116:sc= -3.47! USER MOD Single : A 292 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 293 CYS SG : rot 180:sc= 0 USER MOD Single : A 294 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 300 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N ALA A 214 11.942 -2.546 -0.456 1.00 0.50 N ATOM 98 CA ALA A 214 12.584 -1.373 0.117 1.00 0.39 C ATOM 99 C ALA A 214 11.877 -0.950 1.386 1.00 0.25 C ATOM 100 O ALA A 214 12.332 -0.069 2.104 1.00 0.27 O ATOM 101 CB ALA A 214 12.563 -0.230 -0.863 1.00 0.48 C ATOM 0 HA ALA A 214 13.617 -1.633 0.348 1.00 0.39 H new ATOM 0 HB1 ALA A 214 13.047 0.639 -0.418 1.00 0.48 H new ATOM 0 HB2 ALA A 214 13.096 -0.518 -1.769 1.00 0.48 H new ATOM 0 HB3 ALA A 214 11.531 0.017 -1.112 1.00 0.48 H new ATOM 107 N PHE A 215 10.724 -1.536 1.620 1.00 0.25 N ATOM 108 CA PHE A 215 9.956 -1.244 2.800 1.00 0.18 C ATOM 109 C PHE A 215 10.587 -1.962 3.963 1.00 0.21 C ATOM 110 O PHE A 215 10.532 -3.191 4.049 1.00 0.28 O ATOM 111 CB PHE A 215 8.501 -1.691 2.623 1.00 0.20 C ATOM 112 CG PHE A 215 7.871 -1.210 1.339 1.00 0.23 C ATOM 113 CD1 PHE A 215 8.285 -1.715 0.123 1.00 0.41 C ATOM 114 CD2 PHE A 215 6.854 -0.270 1.352 1.00 0.26 C ATOM 115 CE1 PHE A 215 7.703 -1.294 -1.054 1.00 0.46 C ATOM 116 CE2 PHE A 215 6.265 0.151 0.180 1.00 0.31 C ATOM 117 CZ PHE A 215 6.732 -0.289 -1.020 1.00 0.35 C ATOM 0 H PHE A 215 10.298 -2.224 0.999 1.00 0.25 H new ATOM 0 HA PHE A 215 9.952 -0.169 2.981 1.00 0.18 H new ATOM 0 HB2 PHE A 215 8.458 -2.780 2.653 1.00 0.20 H new ATOM 0 HB3 PHE A 215 7.913 -1.326 3.465 1.00 0.20 H new ATOM 0 HD1 PHE A 215 9.076 -2.450 0.093 1.00 0.41 H new ATOM 0 HD2 PHE A 215 6.518 0.138 2.294 1.00 0.26 H new ATOM 0 HE1 PHE A 215 7.995 -1.737 -1.995 1.00 0.46 H new ATOM 0 HE2 PHE A 215 5.429 0.833 0.214 1.00 0.31 H new ATOM 0 HZ PHE A 215 6.355 0.135 -1.939 1.00 0.35 H new ATOM 127 N GLN A 216 11.175 -1.176 4.842 1.00 0.18 N ATOM 128 CA GLN A 216 11.795 -1.669 6.051 1.00 0.21 C ATOM 129 C GLN A 216 10.823 -2.575 6.763 1.00 0.24 C ATOM 130 O GLN A 216 11.025 -3.783 6.870 1.00 0.31 O ATOM 131 CB GLN A 216 12.121 -0.485 6.946 1.00 0.20 C ATOM 132 CG GLN A 216 13.494 -0.564 7.582 1.00 0.25 C ATOM 133 CD GLN A 216 13.832 0.678 8.368 1.00 0.30 C ATOM 134 OE1 GLN A 216 13.150 1.024 9.328 1.00 0.92 O ATOM 135 NE2 GLN A 216 14.884 1.358 7.963 1.00 0.79 N ATOM 0 H GLN A 216 11.235 -0.164 4.733 1.00 0.18 H new ATOM 0 HA GLN A 216 12.705 -2.219 5.813 1.00 0.21 H new ATOM 0 HB2 GLN A 216 12.054 0.432 6.360 1.00 0.20 H new ATOM 0 HB3 GLN A 216 11.369 -0.417 7.732 1.00 0.20 H new ATOM 0 HG2 GLN A 216 13.538 -1.431 8.241 1.00 0.25 H new ATOM 0 HG3 GLN A 216 14.244 -0.715 6.805 1.00 0.25 H new ATOM 0 HE21 GLN A 216 15.423 1.034 7.160 1.00 0.79 H new ATOM 0 HE22 GLN A 216 15.161 2.209 8.453 1.00 0.79 H new ATOM 144 N LYS A 217 9.678 -2.004 7.058 1.00 0.20 N ATOM 145 CA LYS A 217 8.574 -2.765 7.557 1.00 0.22 C ATOM 146 C LYS A 217 7.289 -2.348 6.859 1.00 0.17 C ATOM 147 O LYS A 217 6.835 -1.224 7.015 1.00 0.17 O ATOM 148 CB LYS A 217 8.442 -2.553 9.058 1.00 0.28 C ATOM 149 CG LYS A 217 7.285 -3.310 9.655 1.00 0.36 C ATOM 150 CD LYS A 217 7.017 -2.878 11.080 1.00 0.59 C ATOM 151 CE LYS A 217 5.840 -3.639 11.675 1.00 1.26 C ATOM 152 NZ LYS A 217 4.584 -3.428 10.904 1.00 1.85 N ATOM 0 H LYS A 217 9.494 -1.006 6.957 1.00 0.20 H new ATOM 0 HA LYS A 217 8.753 -3.822 7.357 1.00 0.22 H new ATOM 0 HB2 LYS A 217 9.365 -2.865 9.547 1.00 0.28 H new ATOM 0 HB3 LYS A 217 8.317 -1.489 9.260 1.00 0.28 H new ATOM 0 HG2 LYS A 217 6.392 -3.149 9.051 1.00 0.36 H new ATOM 0 HG3 LYS A 217 7.497 -4.379 9.631 1.00 0.36 H new ATOM 0 HD2 LYS A 217 7.906 -3.047 11.687 1.00 0.59 H new ATOM 0 HD3 LYS A 217 6.812 -1.808 11.106 1.00 0.59 H new ATOM 0 HE2 LYS A 217 6.074 -4.703 11.701 1.00 1.26 H new ATOM 0 HE3 LYS A 217 5.688 -3.321 12.707 1.00 1.26 H new ATOM 0 HZ1 LYS A 217 3.781 -3.822 11.434 1.00 1.85 H new ATOM 0 HZ2 LYS A 217 4.435 -2.410 10.755 1.00 1.85 H new ATOM 0 HZ3 LYS A 217 4.658 -3.905 9.983 1.00 1.85 H new ATOM 166 N LYS A 218 6.602 -3.312 6.289 1.00 0.19 N ATOM 167 CA LYS A 218 5.245 -3.097 5.806 1.00 0.20 C ATOM 168 C LYS A 218 4.279 -3.248 6.985 1.00 0.18 C ATOM 169 O LYS A 218 4.567 -3.991 7.927 1.00 0.20 O ATOM 170 CB LYS A 218 4.916 -4.105 4.689 1.00 0.31 C ATOM 171 CG LYS A 218 3.485 -4.036 4.173 1.00 0.39 C ATOM 172 CD LYS A 218 3.002 -5.405 3.722 1.00 0.96 C ATOM 173 CE LYS A 218 3.069 -6.413 4.862 1.00 1.56 C ATOM 174 NZ LYS A 218 2.297 -7.645 4.570 1.00 2.42 N ATOM 0 H LYS A 218 6.957 -4.258 6.145 1.00 0.19 H new ATOM 0 HA LYS A 218 5.148 -2.095 5.388 1.00 0.20 H new ATOM 0 HB2 LYS A 218 5.597 -3.938 3.855 1.00 0.31 H new ATOM 0 HB3 LYS A 218 5.106 -5.112 5.059 1.00 0.31 H new ATOM 0 HG2 LYS A 218 2.830 -3.655 4.957 1.00 0.39 H new ATOM 0 HG3 LYS A 218 3.428 -3.334 3.341 1.00 0.39 H new ATOM 0 HD2 LYS A 218 1.977 -5.331 3.358 1.00 0.96 H new ATOM 0 HD3 LYS A 218 3.612 -5.753 2.888 1.00 0.96 H new ATOM 0 HE2 LYS A 218 4.110 -6.675 5.051 1.00 1.56 H new ATOM 0 HE3 LYS A 218 2.685 -5.954 5.773 1.00 1.56 H new ATOM 0 HZ1 LYS A 218 2.582 -8.398 5.229 1.00 2.42 H new ATOM 0 HZ2 LYS A 218 1.281 -7.453 4.682 1.00 2.42 H new ATOM 0 HZ3 LYS A 218 2.486 -7.950 3.594 1.00 2.42 H new ATOM 188 N LEU A 219 3.162 -2.532 6.957 1.00 0.16 N ATOM 189 CA LEU A 219 2.162 -2.648 8.013 1.00 0.16 C ATOM 190 C LEU A 219 1.537 -4.047 7.993 1.00 0.16 C ATOM 191 O LEU A 219 1.818 -4.837 7.090 1.00 0.17 O ATOM 192 CB LEU A 219 1.081 -1.571 7.888 1.00 0.20 C ATOM 193 CG LEU A 219 0.993 -0.588 9.061 1.00 0.66 C ATOM 194 CD1 LEU A 219 0.569 -1.304 10.333 1.00 1.20 C ATOM 195 CD2 LEU A 219 2.323 0.119 9.268 1.00 1.62 C ATOM 0 H LEU A 219 2.926 -1.868 6.219 1.00 0.16 H new ATOM 0 HA LEU A 219 2.663 -2.496 8.969 1.00 0.16 H new ATOM 0 HB2 LEU A 219 1.260 -1.005 6.974 1.00 0.20 H new ATOM 0 HB3 LEU A 219 0.114 -2.062 7.774 1.00 0.20 H new ATOM 0 HG LEU A 219 0.238 0.160 8.821 1.00 0.66 H new ATOM 0 HD11 LEU A 219 0.513 -0.587 11.152 1.00 1.20 H new ATOM 0 HD12 LEU A 219 -0.409 -1.762 10.184 1.00 1.20 H new ATOM 0 HD13 LEU A 219 1.298 -2.077 10.576 1.00 1.20 H new ATOM 0 HD21 LEU A 219 2.240 0.812 10.105 1.00 1.62 H new ATOM 0 HD22 LEU A 219 3.097 -0.618 9.482 1.00 1.62 H new ATOM 0 HD23 LEU A 219 2.587 0.670 8.365 1.00 1.62 H new ATOM 207 N GLU A 220 0.803 -4.384 9.051 1.00 0.17 N ATOM 208 CA GLU A 220 0.243 -5.729 9.232 1.00 0.20 C ATOM 209 C GLU A 220 -0.420 -6.251 7.950 1.00 0.19 C ATOM 210 O GLU A 220 -0.974 -5.478 7.171 1.00 0.19 O ATOM 211 CB GLU A 220 -0.780 -5.714 10.373 1.00 0.23 C ATOM 212 CG GLU A 220 -1.996 -4.835 10.104 1.00 0.24 C ATOM 213 CD GLU A 220 -2.959 -4.804 11.273 1.00 0.75 C ATOM 214 OE1 GLU A 220 -2.617 -5.349 12.344 1.00 1.43 O ATOM 215 OE2 GLU A 220 -4.059 -4.233 11.131 1.00 1.12 O ATOM 0 H GLU A 220 0.578 -3.737 9.807 1.00 0.17 H new ATOM 0 HA GLU A 220 1.066 -6.400 9.477 1.00 0.20 H new ATOM 0 HB2 GLU A 220 -1.116 -6.734 10.559 1.00 0.23 H new ATOM 0 HB3 GLU A 220 -0.289 -5.369 11.283 1.00 0.23 H new ATOM 0 HG2 GLU A 220 -1.665 -3.820 9.883 1.00 0.24 H new ATOM 0 HG3 GLU A 220 -2.516 -5.201 9.219 1.00 0.24 H new ATOM 222 N PRO A 221 -0.303 -7.570 7.686 1.00 0.22 N ATOM 223 CA PRO A 221 -0.793 -8.208 6.444 1.00 0.23 C ATOM 224 C PRO A 221 -2.312 -8.190 6.276 1.00 0.20 C ATOM 225 O PRO A 221 -2.851 -8.981 5.503 1.00 0.19 O ATOM 226 CB PRO A 221 -0.305 -9.657 6.561 1.00 0.29 C ATOM 227 CG PRO A 221 0.778 -9.626 7.584 1.00 0.57 C ATOM 228 CD PRO A 221 0.411 -8.533 8.540 1.00 0.26 C ATOM 0 HA PRO A 221 -0.421 -7.666 5.574 1.00 0.23 H new ATOM 0 HB2 PRO A 221 -1.114 -10.321 6.865 1.00 0.29 H new ATOM 0 HB3 PRO A 221 0.067 -10.025 5.605 1.00 0.29 H new ATOM 0 HG2 PRO A 221 0.857 -10.584 8.098 1.00 0.57 H new ATOM 0 HG3 PRO A 221 1.746 -9.432 7.122 1.00 0.57 H new ATOM 0 HD2 PRO A 221 -0.220 -8.900 9.349 1.00 0.26 H new ATOM 0 HD3 PRO A 221 1.293 -8.087 9.001 1.00 0.26 H new ATOM 236 N ALA A 222 -2.957 -7.177 6.825 1.00 0.20 N ATOM 237 CA ALA A 222 -4.374 -6.957 6.602 1.00 0.19 C ATOM 238 C ALA A 222 -4.725 -5.502 6.851 1.00 0.15 C ATOM 239 O ALA A 222 -5.076 -5.112 7.966 1.00 0.17 O ATOM 240 CB ALA A 222 -5.221 -7.859 7.479 1.00 0.24 C ATOM 0 H ALA A 222 -2.517 -6.488 7.434 1.00 0.20 H new ATOM 0 HA ALA A 222 -4.590 -7.204 5.563 1.00 0.19 H new ATOM 0 HB1 ALA A 222 -6.277 -7.667 7.286 1.00 0.24 H new ATOM 0 HB2 ALA A 222 -4.994 -8.901 7.255 1.00 0.24 H new ATOM 0 HB3 ALA A 222 -5.002 -7.657 8.527 1.00 0.24 H new ATOM 246 N TYR A 223 -4.678 -4.720 5.794 1.00 0.12 N ATOM 247 CA TYR A 223 -5.065 -3.321 5.852 1.00 0.11 C ATOM 248 C TYR A 223 -6.582 -3.233 5.811 1.00 0.13 C ATOM 249 O TYR A 223 -7.219 -3.982 5.071 1.00 0.17 O ATOM 250 CB TYR A 223 -4.464 -2.549 4.671 1.00 0.12 C ATOM 251 CG TYR A 223 -2.962 -2.344 4.731 1.00 0.12 C ATOM 252 CD1 TYR A 223 -2.172 -3.164 5.521 1.00 0.16 C ATOM 253 CD2 TYR A 223 -2.337 -1.326 4.024 1.00 0.18 C ATOM 254 CE1 TYR A 223 -0.804 -2.979 5.603 1.00 0.18 C ATOM 255 CE2 TYR A 223 -0.970 -1.137 4.106 1.00 0.20 C ATOM 256 CZ TYR A 223 -0.206 -1.969 4.782 1.00 0.16 C ATOM 257 OH TYR A 223 1.149 -1.785 4.982 1.00 0.21 O ATOM 0 H TYR A 223 -4.372 -5.031 4.872 1.00 0.12 H new ATOM 0 HA TYR A 223 -4.690 -2.878 6.775 1.00 0.11 H new ATOM 0 HB2 TYR A 223 -4.706 -3.080 3.750 1.00 0.12 H new ATOM 0 HB3 TYR A 223 -4.946 -1.573 4.613 1.00 0.12 H new ATOM 0 HD1 TYR A 223 -2.633 -3.962 6.083 1.00 0.16 H new ATOM 0 HD2 TYR A 223 -2.928 -0.672 3.400 1.00 0.18 H new ATOM 0 HE1 TYR A 223 -0.202 -3.580 6.269 1.00 0.18 H new ATOM 0 HE2 TYR A 223 -0.521 -0.291 3.606 1.00 0.20 H new ATOM 0 HH TYR A 223 1.336 -0.830 5.095 1.00 0.21 H new ATOM 267 N GLN A 224 -7.169 -2.394 6.652 1.00 0.15 N ATOM 268 CA GLN A 224 -8.619 -2.296 6.716 1.00 0.18 C ATOM 269 C GLN A 224 -9.108 -0.937 6.231 1.00 0.17 C ATOM 270 O GLN A 224 -8.980 0.070 6.928 1.00 0.22 O ATOM 271 CB GLN A 224 -9.114 -2.565 8.138 1.00 0.26 C ATOM 272 CG GLN A 224 -8.788 -3.965 8.630 1.00 0.34 C ATOM 273 CD GLN A 224 -9.441 -4.285 9.957 1.00 0.61 C ATOM 274 OE1 GLN A 224 -9.176 -3.639 10.972 1.00 1.42 O ATOM 275 NE2 GLN A 224 -10.312 -5.280 9.958 1.00 0.99 N ATOM 0 H GLN A 224 -6.670 -1.777 7.293 1.00 0.15 H new ATOM 0 HA GLN A 224 -9.031 -3.056 6.052 1.00 0.18 H new ATOM 0 HB2 GLN A 224 -8.669 -1.836 8.815 1.00 0.26 H new ATOM 0 HB3 GLN A 224 -10.193 -2.416 8.174 1.00 0.26 H new ATOM 0 HG2 GLN A 224 -9.113 -4.692 7.885 1.00 0.34 H new ATOM 0 HG3 GLN A 224 -7.707 -4.069 8.727 1.00 0.34 H new ATOM 0 HE21 GLN A 224 -10.504 -5.791 9.096 1.00 0.99 H new ATOM 0 HE22 GLN A 224 -10.792 -5.537 10.821 1.00 0.99 H new ATOM 284 N VAL A 225 -9.660 -0.919 5.020 1.00 0.16 N ATOM 285 CA VAL A 225 -10.191 0.298 4.432 1.00 0.18 C ATOM 286 C VAL A 225 -11.353 0.805 5.242 1.00 0.24 C ATOM 287 O VAL A 225 -12.378 0.148 5.289 1.00 0.30 O ATOM 288 CB VAL A 225 -10.732 0.076 3.005 1.00 0.28 C ATOM 289 CG1 VAL A 225 -10.961 1.413 2.300 1.00 0.77 C ATOM 290 CG2 VAL A 225 -9.821 -0.829 2.200 1.00 0.77 C ATOM 0 H VAL A 225 -9.749 -1.744 4.426 1.00 0.16 H new ATOM 0 HA VAL A 225 -9.361 1.005 4.412 1.00 0.18 H new ATOM 0 HB VAL A 225 -11.694 -0.430 3.085 1.00 0.28 H new ATOM 0 HG11 VAL A 225 -11.343 1.234 1.295 1.00 0.77 H new ATOM 0 HG12 VAL A 225 -11.685 2.002 2.863 1.00 0.77 H new ATOM 0 HG13 VAL A 225 -10.019 1.958 2.239 1.00 0.77 H new ATOM 0 HG21 VAL A 225 -10.233 -0.964 1.200 1.00 0.77 H new ATOM 0 HG22 VAL A 225 -8.832 -0.378 2.127 1.00 0.77 H new ATOM 0 HG23 VAL A 225 -9.742 -1.798 2.693 1.00 0.77 H new ATOM 300 N SER A 226 -11.327 2.063 5.587 1.00 0.26 N ATOM 301 CA SER A 226 -12.549 2.678 6.035 1.00 0.33 C ATOM 302 C SER A 226 -13.345 3.028 4.785 1.00 0.32 C ATOM 303 O SER A 226 -12.869 3.817 3.967 1.00 0.32 O ATOM 304 CB SER A 226 -12.260 3.910 6.884 1.00 0.42 C ATOM 305 OG SER A 226 -13.451 4.462 7.418 1.00 1.20 O ATOM 0 H SER A 226 -10.505 2.666 5.569 1.00 0.26 H new ATOM 0 HA SER A 226 -13.120 2.002 6.671 1.00 0.33 H new ATOM 0 HB2 SER A 226 -11.585 3.643 7.697 1.00 0.42 H new ATOM 0 HB3 SER A 226 -11.750 4.659 6.279 1.00 0.42 H new ATOM 0 HG SER A 226 -13.399 5.440 7.390 1.00 1.20 H new ATOM 311 N LYS A 227 -14.326 2.179 4.476 1.00 0.34 N ATOM 312 CA LYS A 227 -14.970 2.199 3.159 1.00 0.37 C ATOM 313 C LYS A 227 -15.300 3.605 2.694 1.00 0.42 C ATOM 314 O LYS A 227 -15.996 4.367 3.366 1.00 0.48 O ATOM 315 CB LYS A 227 -16.235 1.323 3.122 1.00 0.44 C ATOM 316 CG LYS A 227 -17.377 1.900 2.282 1.00 0.95 C ATOM 317 CD LYS A 227 -18.597 0.991 2.260 1.00 0.93 C ATOM 318 CE LYS A 227 -19.447 1.138 3.514 1.00 0.96 C ATOM 319 NZ LYS A 227 -20.091 2.475 3.605 1.00 1.54 N ATOM 0 H LYS A 227 -14.691 1.472 5.114 1.00 0.34 H new ATOM 0 HA LYS A 227 -14.239 1.780 2.467 1.00 0.37 H new ATOM 0 HB2 LYS A 227 -15.971 0.341 2.729 1.00 0.44 H new ATOM 0 HB3 LYS A 227 -16.589 1.174 4.142 1.00 0.44 H new ATOM 0 HG2 LYS A 227 -17.660 2.875 2.680 1.00 0.95 H new ATOM 0 HG3 LYS A 227 -17.029 2.061 1.262 1.00 0.95 H new ATOM 0 HD2 LYS A 227 -19.203 1.220 1.384 1.00 0.93 H new ATOM 0 HD3 LYS A 227 -18.274 -0.045 2.162 1.00 0.93 H new ATOM 0 HE2 LYS A 227 -20.216 0.365 3.522 1.00 0.96 H new ATOM 0 HE3 LYS A 227 -18.824 0.977 4.394 1.00 0.96 H new ATOM 0 HZ1 LYS A 227 -20.890 2.431 4.270 1.00 1.54 H new ATOM 0 HZ2 LYS A 227 -19.397 3.172 3.943 1.00 1.54 H new ATOM 0 HZ3 LYS A 227 -20.437 2.758 2.666 1.00 1.54 H new ATOM 333 N GLY A 228 -14.775 3.926 1.528 1.00 0.46 N ATOM 334 CA GLY A 228 -15.037 5.213 0.912 1.00 0.57 C ATOM 335 C GLY A 228 -14.383 6.367 1.643 1.00 0.57 C ATOM 336 O GLY A 228 -14.637 7.529 1.333 1.00 0.70 O ATOM 0 H GLY A 228 -14.164 3.314 0.987 1.00 0.46 H new ATOM 0 HA2 GLY A 228 -14.681 5.195 -0.118 1.00 0.57 H new ATOM 0 HA3 GLY A 228 -16.114 5.378 0.874 1.00 0.57 H new ATOM 340 N HIS A 229 -13.507 6.049 2.580 1.00 0.47 N ATOM 341 CA HIS A 229 -12.752 7.065 3.299 1.00 0.53 C ATOM 342 C HIS A 229 -11.326 7.092 2.790 1.00 0.54 C ATOM 343 O HIS A 229 -10.491 7.841 3.296 1.00 1.02 O ATOM 344 CB HIS A 229 -12.765 6.799 4.803 1.00 0.55 C ATOM 345 CG HIS A 229 -14.059 7.158 5.470 1.00 1.32 C ATOM 346 ND1 HIS A 229 -14.252 7.071 6.830 1.00 1.94 N ATOM 347 CD2 HIS A 229 -15.227 7.616 4.957 1.00 2.31 C ATOM 348 CE1 HIS A 229 -15.479 7.459 7.126 1.00 2.66 C ATOM 349 NE2 HIS A 229 -16.090 7.796 6.007 1.00 2.89 N ATOM 0 H HIS A 229 -13.299 5.091 2.863 1.00 0.47 H new ATOM 0 HA HIS A 229 -13.222 8.033 3.124 1.00 0.53 H new ATOM 0 HB2 HIS A 229 -12.558 5.743 4.978 1.00 0.55 H new ATOM 0 HB3 HIS A 229 -11.958 7.364 5.269 1.00 0.55 H new ATOM 0 HD2 HIS A 229 -15.439 7.804 3.915 1.00 2.31 H new ATOM 0 HE1 HIS A 229 -15.909 7.494 8.116 1.00 2.66 H new ATOM 0 HE2 HIS A 229 -17.049 8.136 5.934 1.00 2.89 H new ATOM 358 N LYS A 230 -11.060 6.212 1.821 1.00 0.30 N ATOM 359 CA LYS A 230 -9.733 6.050 1.219 1.00 0.28 C ATOM 360 C LYS A 230 -8.784 5.376 2.199 1.00 0.24 C ATOM 361 O LYS A 230 -8.409 5.971 3.210 1.00 0.28 O ATOM 362 CB LYS A 230 -9.122 7.400 0.798 1.00 0.36 C ATOM 363 CG LYS A 230 -10.001 8.259 -0.097 1.00 1.00 C ATOM 364 CD LYS A 230 -9.377 9.633 -0.297 1.00 1.23 C ATOM 365 CE LYS A 230 -10.317 10.598 -1.004 1.00 1.65 C ATOM 366 NZ LYS A 230 -10.585 10.206 -2.412 1.00 2.24 N ATOM 0 H LYS A 230 -11.764 5.587 1.429 1.00 0.30 H new ATOM 0 HA LYS A 230 -9.864 5.432 0.331 1.00 0.28 H new ATOM 0 HB2 LYS A 230 -8.882 7.968 1.697 1.00 0.36 H new ATOM 0 HB3 LYS A 230 -8.182 7.209 0.281 1.00 0.36 H new ATOM 0 HG2 LYS A 230 -10.135 7.770 -1.062 1.00 1.00 H new ATOM 0 HG3 LYS A 230 -10.991 8.364 0.348 1.00 1.00 H new ATOM 0 HD2 LYS A 230 -9.097 10.047 0.672 1.00 1.23 H new ATOM 0 HD3 LYS A 230 -8.460 9.532 -0.878 1.00 1.23 H new ATOM 0 HE2 LYS A 230 -11.259 10.647 -0.459 1.00 1.65 H new ATOM 0 HE3 LYS A 230 -9.886 11.599 -0.985 1.00 1.65 H new ATOM 0 HZ1 LYS A 230 -10.701 11.060 -2.994 1.00 2.24 H new ATOM 0 HZ2 LYS A 230 -9.787 9.646 -2.774 1.00 2.24 H new ATOM 0 HZ3 LYS A 230 -11.455 9.638 -2.455 1.00 2.24 H new ATOM 380 N ILE A 231 -8.380 4.147 1.915 1.00 0.20 N ATOM 381 CA ILE A 231 -7.431 3.480 2.800 1.00 0.17 C ATOM 382 C ILE A 231 -5.993 3.781 2.381 1.00 0.16 C ATOM 383 O ILE A 231 -5.669 3.818 1.199 1.00 0.17 O ATOM 384 CB ILE A 231 -7.643 1.953 2.882 1.00 0.16 C ATOM 385 CG1 ILE A 231 -6.659 1.355 3.896 1.00 0.17 C ATOM 386 CG2 ILE A 231 -7.449 1.304 1.524 1.00 0.18 C ATOM 387 CD1 ILE A 231 -6.742 -0.143 4.037 1.00 0.19 C ATOM 0 H ILE A 231 -8.681 3.603 1.106 1.00 0.20 H new ATOM 0 HA ILE A 231 -7.616 3.883 3.796 1.00 0.17 H new ATOM 0 HB ILE A 231 -8.666 1.759 3.206 1.00 0.16 H new ATOM 0 HG12 ILE A 231 -5.645 1.624 3.601 1.00 0.17 H new ATOM 0 HG13 ILE A 231 -6.839 1.810 4.870 1.00 0.17 H new ATOM 0 HG21 ILE A 231 -7.604 0.228 1.609 1.00 0.18 H new ATOM 0 HG22 ILE A 231 -8.167 1.719 0.817 1.00 0.18 H new ATOM 0 HG23 ILE A 231 -6.437 1.498 1.169 1.00 0.18 H new ATOM 0 HD11 ILE A 231 -6.012 -0.480 4.773 1.00 0.19 H new ATOM 0 HD12 ILE A 231 -7.743 -0.423 4.364 1.00 0.19 H new ATOM 0 HD13 ILE A 231 -6.530 -0.611 3.076 1.00 0.19 H new ATOM 399 N ARG A 232 -5.153 4.070 3.356 1.00 0.17 N ATOM 400 CA ARG A 232 -3.765 4.415 3.097 1.00 0.17 C ATOM 401 C ARG A 232 -2.860 3.235 3.447 1.00 0.15 C ATOM 402 O ARG A 232 -3.157 2.499 4.388 1.00 0.19 O ATOM 403 CB ARG A 232 -3.393 5.641 3.922 1.00 0.22 C ATOM 404 CG ARG A 232 -4.398 6.772 3.801 1.00 0.34 C ATOM 405 CD ARG A 232 -3.955 7.999 4.578 1.00 0.77 C ATOM 406 NE ARG A 232 -5.031 8.979 4.709 1.00 1.44 N ATOM 407 CZ ARG A 232 -4.868 10.200 5.215 1.00 2.13 C ATOM 408 NH1 ARG A 232 -3.649 10.663 5.469 1.00 2.48 N ATOM 409 NH2 ARG A 232 -5.926 10.973 5.424 1.00 3.14 N ATOM 0 H ARG A 232 -5.409 4.073 4.343 1.00 0.17 H new ATOM 0 HA ARG A 232 -3.633 4.644 2.039 1.00 0.17 H new ATOM 0 HB2 ARG A 232 -3.305 5.353 4.969 1.00 0.22 H new ATOM 0 HB3 ARG A 232 -2.413 5.999 3.607 1.00 0.22 H new ATOM 0 HG2 ARG A 232 -4.528 7.033 2.751 1.00 0.34 H new ATOM 0 HG3 ARG A 232 -5.368 6.438 4.169 1.00 0.34 H new ATOM 0 HD2 ARG A 232 -3.615 7.698 5.569 1.00 0.77 H new ATOM 0 HD3 ARG A 232 -3.104 8.459 4.076 1.00 0.77 H new ATOM 0 HE ARG A 232 -5.963 8.712 4.394 1.00 1.44 H new ATOM 0 HH11 ARG A 232 -2.833 10.083 5.276 1.00 2.48 H new ATOM 0 HH12 ARG A 232 -3.529 11.599 5.857 1.00 2.48 H new ATOM 0 HH21 ARG A 232 -6.860 10.631 5.197 1.00 3.14 H new ATOM 0 HH22 ARG A 232 -5.805 11.909 5.811 1.00 3.14 H new ATOM 423 N LEU A 233 -1.800 2.997 2.668 1.00 0.13 N ATOM 424 CA LEU A 233 -0.944 1.862 2.925 1.00 0.14 C ATOM 425 C LEU A 233 0.333 2.337 3.586 1.00 0.13 C ATOM 426 O LEU A 233 1.240 2.819 2.913 1.00 0.13 O ATOM 427 CB LEU A 233 -0.644 1.112 1.617 1.00 0.15 C ATOM 428 CG LEU A 233 -1.758 0.173 1.113 1.00 0.17 C ATOM 429 CD1 LEU A 233 -3.036 0.935 0.799 1.00 0.18 C ATOM 430 CD2 LEU A 233 -1.303 -0.599 -0.111 1.00 0.23 C ATOM 0 H LEU A 233 -1.527 3.571 1.870 1.00 0.13 H new ATOM 0 HA LEU A 233 -1.450 1.168 3.597 1.00 0.14 H new ATOM 0 HB2 LEU A 233 -0.434 1.846 0.839 1.00 0.15 H new ATOM 0 HB3 LEU A 233 0.264 0.526 1.756 1.00 0.15 H new ATOM 0 HG LEU A 233 -1.971 -0.531 1.917 1.00 0.17 H new ATOM 0 HD11 LEU A 233 -3.797 0.239 0.447 1.00 0.18 H new ATOM 0 HD12 LEU A 233 -3.391 1.436 1.699 1.00 0.18 H new ATOM 0 HD13 LEU A 233 -2.837 1.677 0.026 1.00 0.18 H new ATOM 0 HD21 LEU A 233 -2.106 -1.254 -0.447 1.00 0.23 H new ATOM 0 HD22 LEU A 233 -1.047 0.100 -0.908 1.00 0.23 H new ATOM 0 HD23 LEU A 233 -0.428 -1.198 0.141 1.00 0.23 H new ATOM 442 N THR A 234 0.342 2.314 4.910 1.00 0.14 N ATOM 443 CA THR A 234 1.459 2.829 5.677 1.00 0.16 C ATOM 444 C THR A 234 2.509 1.751 5.902 1.00 0.16 C ATOM 445 O THR A 234 2.181 0.581 6.095 1.00 0.22 O ATOM 446 CB THR A 234 0.982 3.396 7.031 1.00 0.22 C ATOM 447 OG1 THR A 234 0.032 4.446 6.801 1.00 0.33 O ATOM 448 CG2 THR A 234 2.146 3.939 7.849 1.00 0.24 C ATOM 0 H THR A 234 -0.419 1.940 5.477 1.00 0.14 H new ATOM 0 HA THR A 234 1.911 3.637 5.102 1.00 0.16 H new ATOM 0 HB THR A 234 0.520 2.585 7.594 1.00 0.22 H new ATOM 0 HG1 THR A 234 -0.273 4.806 7.660 1.00 0.33 H new ATOM 0 HG21 THR A 234 1.774 4.330 8.796 1.00 0.24 H new ATOM 0 HG22 THR A 234 2.860 3.138 8.043 1.00 0.24 H new ATOM 0 HG23 THR A 234 2.639 4.738 7.295 1.00 0.24 H new ATOM 456 N VAL A 235 3.764 2.144 5.771 1.00 0.14 N ATOM 457 CA VAL A 235 4.897 1.242 5.891 1.00 0.14 C ATOM 458 C VAL A 235 6.091 2.019 6.416 1.00 0.14 C ATOM 459 O VAL A 235 6.246 3.185 6.088 1.00 0.16 O ATOM 460 CB VAL A 235 5.284 0.632 4.525 1.00 0.14 C ATOM 461 CG1 VAL A 235 4.169 -0.222 3.972 1.00 0.15 C ATOM 462 CG2 VAL A 235 5.618 1.734 3.544 1.00 0.14 C ATOM 0 H VAL A 235 4.028 3.110 5.576 1.00 0.14 H new ATOM 0 HA VAL A 235 4.616 0.436 6.569 1.00 0.14 H new ATOM 0 HB VAL A 235 6.158 -0.002 4.674 1.00 0.14 H new ATOM 0 HG11 VAL A 235 4.471 -0.637 3.011 1.00 0.15 H new ATOM 0 HG12 VAL A 235 3.954 -1.034 4.666 1.00 0.15 H new ATOM 0 HG13 VAL A 235 3.275 0.388 3.839 1.00 0.15 H new ATOM 0 HG21 VAL A 235 5.890 1.296 2.584 1.00 0.14 H new ATOM 0 HG22 VAL A 235 4.751 2.382 3.415 1.00 0.14 H new ATOM 0 HG23 VAL A 235 6.455 2.320 3.925 1.00 0.14 H new ATOM 472 N GLU A 236 7.020 1.350 7.063 1.00 0.13 N ATOM 473 CA GLU A 236 8.270 1.992 7.382 1.00 0.13 C ATOM 474 C GLU A 236 9.232 1.688 6.257 1.00 0.13 C ATOM 475 O GLU A 236 9.462 0.530 5.943 1.00 0.17 O ATOM 476 CB GLU A 236 8.844 1.489 8.708 1.00 0.18 C ATOM 477 CG GLU A 236 9.638 2.557 9.440 1.00 0.29 C ATOM 478 CD GLU A 236 10.049 2.136 10.829 1.00 0.54 C ATOM 479 OE1 GLU A 236 9.173 1.731 11.622 1.00 1.05 O ATOM 480 OE2 GLU A 236 11.255 2.181 11.130 1.00 1.18 O ATOM 0 H GLU A 236 6.935 0.382 7.372 1.00 0.13 H new ATOM 0 HA GLU A 236 8.111 3.065 7.491 1.00 0.13 H new ATOM 0 HB2 GLU A 236 8.030 1.145 9.346 1.00 0.18 H new ATOM 0 HB3 GLU A 236 9.486 0.629 8.519 1.00 0.18 H new ATOM 0 HG2 GLU A 236 10.529 2.800 8.861 1.00 0.29 H new ATOM 0 HG3 GLU A 236 9.041 3.467 9.504 1.00 0.29 H new ATOM 487 N LEU A 237 9.675 2.709 5.558 1.00 0.13 N ATOM 488 CA LEU A 237 10.546 2.501 4.420 1.00 0.15 C ATOM 489 C LEU A 237 11.988 2.375 4.863 1.00 0.17 C ATOM 490 O LEU A 237 12.403 2.997 5.832 1.00 0.19 O ATOM 491 CB LEU A 237 10.430 3.646 3.416 1.00 0.17 C ATOM 492 CG LEU A 237 9.543 3.378 2.202 1.00 0.23 C ATOM 493 CD1 LEU A 237 9.585 4.561 1.253 1.00 0.44 C ATOM 494 CD2 LEU A 237 9.979 2.114 1.482 1.00 0.55 C ATOM 0 H LEU A 237 9.450 3.684 5.754 1.00 0.13 H new ATOM 0 HA LEU A 237 10.231 1.575 3.939 1.00 0.15 H new ATOM 0 HB2 LEU A 237 10.046 4.523 3.937 1.00 0.17 H new ATOM 0 HB3 LEU A 237 11.430 3.898 3.063 1.00 0.17 H new ATOM 0 HG LEU A 237 8.520 3.238 2.550 1.00 0.23 H new ATOM 0 HD11 LEU A 237 8.949 4.359 0.391 1.00 0.44 H new ATOM 0 HD12 LEU A 237 9.227 5.453 1.767 1.00 0.44 H new ATOM 0 HD13 LEU A 237 10.610 4.722 0.918 1.00 0.44 H new ATOM 0 HD21 LEU A 237 9.332 1.944 0.621 1.00 0.55 H new ATOM 0 HD22 LEU A 237 11.010 2.224 1.145 1.00 0.55 H new ATOM 0 HD23 LEU A 237 9.908 1.265 2.162 1.00 0.55 H new ATOM 506 N ALA A 238 12.763 1.656 4.076 1.00 0.19 N ATOM 507 CA ALA A 238 14.200 1.604 4.251 1.00 0.21 C ATOM 508 C ALA A 238 14.818 2.748 3.461 1.00 0.23 C ATOM 509 O ALA A 238 15.758 3.403 3.905 1.00 0.28 O ATOM 510 CB ALA A 238 14.739 0.267 3.779 1.00 0.25 C ATOM 0 H ALA A 238 12.416 1.093 3.300 1.00 0.19 H new ATOM 0 HA ALA A 238 14.456 1.708 5.306 1.00 0.21 H new ATOM 0 HB1 ALA A 238 15.820 0.242 3.916 1.00 0.25 H new ATOM 0 HB2 ALA A 238 14.281 -0.535 4.358 1.00 0.25 H new ATOM 0 HB3 ALA A 238 14.504 0.132 2.723 1.00 0.25 H new ATOM 516 N ASP A 239 14.215 3.012 2.307 1.00 0.22 N ATOM 517 CA ASP A 239 14.619 4.114 1.432 1.00 0.25 C ATOM 518 C ASP A 239 14.161 5.446 1.989 1.00 0.25 C ATOM 519 O ASP A 239 14.863 6.446 1.893 1.00 0.34 O ATOM 520 CB ASP A 239 14.022 3.930 0.043 1.00 0.31 C ATOM 521 CG ASP A 239 14.767 2.886 -0.760 1.00 0.63 C ATOM 522 OD1 ASP A 239 14.804 1.715 -0.330 1.00 1.19 O ATOM 523 OD2 ASP A 239 15.295 3.223 -1.833 1.00 1.28 O ATOM 0 H ASP A 239 13.430 2.468 1.948 1.00 0.22 H new ATOM 0 HA ASP A 239 15.707 4.107 1.372 1.00 0.25 H new ATOM 0 HB2 ASP A 239 12.975 3.639 0.134 1.00 0.31 H new ATOM 0 HB3 ASP A 239 14.043 4.881 -0.490 1.00 0.31 H new ATOM 528 N HIS A 240 12.947 5.433 2.535 1.00 0.27 N ATOM 529 CA HIS A 240 12.304 6.610 3.130 1.00 0.39 C ATOM 530 C HIS A 240 11.684 7.508 2.066 1.00 0.47 C ATOM 531 O HIS A 240 10.469 7.695 2.048 1.00 0.70 O ATOM 532 CB HIS A 240 13.273 7.428 3.994 1.00 0.46 C ATOM 533 CG HIS A 240 13.902 6.656 5.110 1.00 0.46 C ATOM 534 ND1 HIS A 240 13.868 5.334 5.413 1.00 0.56 N flip ATOM 535 CD2 HIS A 240 14.685 7.249 6.073 1.00 0.40 C flip ATOM 536 CE1 HIS A 240 14.626 5.165 6.546 1.00 0.57 C flip ATOM 537 NE2 HIS A 240 15.107 6.333 6.921 1.00 0.48 N flip ATOM 0 H HIS A 240 12.370 4.593 2.579 1.00 0.27 H new ATOM 0 HA HIS A 240 11.513 6.228 3.775 1.00 0.39 H new ATOM 0 HB2 HIS A 240 14.060 7.829 3.356 1.00 0.46 H new ATOM 0 HB3 HIS A 240 12.737 8.280 4.413 1.00 0.46 H new ATOM 0 HD1 HIS A 240 13.374 4.605 4.898 1.00 0.56 H new ATOM 0 HD2 HIS A 240 14.918 8.302 6.126 1.00 0.40 H new ATOM 0 HE1 HIS A 240 14.800 4.225 7.049 1.00 0.57 H new ATOM 546 N ASP A 241 12.495 8.050 1.168 1.00 0.41 N ATOM 547 CA ASP A 241 11.964 8.945 0.147 1.00 0.51 C ATOM 548 C ASP A 241 12.233 8.420 -1.252 1.00 0.44 C ATOM 549 O ASP A 241 12.613 9.165 -2.156 1.00 0.78 O ATOM 550 CB ASP A 241 12.518 10.362 0.298 1.00 0.80 C ATOM 551 CG ASP A 241 11.624 11.404 -0.355 1.00 1.53 C ATOM 552 OD1 ASP A 241 10.491 11.064 -0.759 1.00 2.22 O ATOM 553 OD2 ASP A 241 12.043 12.580 -0.445 1.00 2.08 O ATOM 0 H ASP A 241 13.502 7.891 1.124 1.00 0.41 H new ATOM 0 HA ASP A 241 10.885 8.984 0.293 1.00 0.51 H new ATOM 0 HB2 ASP A 241 12.630 10.595 1.357 1.00 0.80 H new ATOM 0 HB3 ASP A 241 13.512 10.410 -0.146 1.00 0.80 H new ATOM 558 N ALA A 242 11.877 7.172 -1.456 1.00 0.33 N ATOM 559 CA ALA A 242 11.893 6.580 -2.776 1.00 0.30 C ATOM 560 C ALA A 242 10.467 6.424 -3.257 1.00 0.24 C ATOM 561 O ALA A 242 9.552 6.306 -2.435 1.00 0.28 O ATOM 562 CB ALA A 242 12.586 5.235 -2.736 1.00 0.38 C ATOM 0 H ALA A 242 11.570 6.541 -0.716 1.00 0.33 H new ATOM 0 HA ALA A 242 12.441 7.225 -3.463 1.00 0.30 H new ATOM 0 HB1 ALA A 242 12.592 4.799 -3.735 1.00 0.38 H new ATOM 0 HB2 ALA A 242 13.612 5.364 -2.390 1.00 0.38 H new ATOM 0 HB3 ALA A 242 12.054 4.572 -2.054 1.00 0.38 H new ATOM 568 N GLU A 243 10.266 6.368 -4.565 1.00 0.26 N ATOM 569 CA GLU A 243 8.933 6.129 -5.080 1.00 0.30 C ATOM 570 C GLU A 243 8.535 4.705 -4.761 1.00 0.25 C ATOM 571 O GLU A 243 9.121 3.755 -5.278 1.00 0.25 O ATOM 572 CB GLU A 243 8.849 6.340 -6.592 1.00 0.39 C ATOM 573 CG GLU A 243 9.151 7.754 -7.049 1.00 0.67 C ATOM 574 CD GLU A 243 8.811 7.965 -8.511 1.00 1.10 C ATOM 575 OE1 GLU A 243 8.311 7.014 -9.155 1.00 1.64 O ATOM 576 OE2 GLU A 243 9.050 9.083 -9.026 1.00 1.56 O ATOM 0 H GLU A 243 10.992 6.482 -5.272 1.00 0.26 H new ATOM 0 HA GLU A 243 8.259 6.844 -4.607 1.00 0.30 H new ATOM 0 HB2 GLU A 243 9.545 5.658 -7.080 1.00 0.39 H new ATOM 0 HB3 GLU A 243 7.848 6.069 -6.929 1.00 0.39 H new ATOM 0 HG2 GLU A 243 8.586 8.460 -6.440 1.00 0.67 H new ATOM 0 HG3 GLU A 243 10.207 7.969 -6.888 1.00 0.67 H new ATOM 583 N VAL A 244 7.490 4.562 -3.976 1.00 0.24 N ATOM 584 CA VAL A 244 6.974 3.253 -3.679 1.00 0.21 C ATOM 585 C VAL A 244 5.847 2.926 -4.626 1.00 0.20 C ATOM 586 O VAL A 244 4.828 3.617 -4.676 1.00 0.23 O ATOM 587 CB VAL A 244 6.491 3.120 -2.215 1.00 0.22 C ATOM 588 CG1 VAL A 244 7.677 3.215 -1.260 1.00 0.24 C ATOM 589 CG2 VAL A 244 5.426 4.170 -1.882 1.00 0.27 C ATOM 0 H VAL A 244 6.987 5.333 -3.537 1.00 0.24 H new ATOM 0 HA VAL A 244 7.792 2.544 -3.809 1.00 0.21 H new ATOM 0 HB VAL A 244 6.028 2.141 -2.094 1.00 0.22 H new ATOM 0 HG11 VAL A 244 7.325 3.120 -0.233 1.00 0.24 H new ATOM 0 HG12 VAL A 244 8.384 2.414 -1.477 1.00 0.24 H new ATOM 0 HG13 VAL A 244 8.170 4.179 -1.387 1.00 0.24 H new ATOM 0 HG21 VAL A 244 5.108 4.050 -0.847 1.00 0.27 H new ATOM 0 HG22 VAL A 244 5.843 5.168 -2.020 1.00 0.27 H new ATOM 0 HG23 VAL A 244 4.569 4.041 -2.543 1.00 0.27 H new ATOM 599 N LYS A 245 6.003 1.829 -5.315 1.00 0.18 N ATOM 600 CA LYS A 245 4.937 1.307 -6.114 1.00 0.19 C ATOM 601 C LYS A 245 4.255 0.240 -5.290 1.00 0.15 C ATOM 602 O LYS A 245 4.811 -0.258 -4.317 1.00 0.16 O ATOM 603 CB LYS A 245 5.450 0.753 -7.449 1.00 0.30 C ATOM 604 CG LYS A 245 5.838 1.824 -8.463 1.00 0.89 C ATOM 605 CD LYS A 245 7.142 2.515 -8.091 1.00 1.51 C ATOM 606 CE LYS A 245 7.503 3.607 -9.082 1.00 2.00 C ATOM 607 NZ LYS A 245 6.553 4.749 -9.032 1.00 2.79 N ATOM 0 H LYS A 245 6.862 1.280 -5.337 1.00 0.18 H new ATOM 0 HA LYS A 245 4.232 2.096 -6.376 1.00 0.19 H new ATOM 0 HB2 LYS A 245 6.316 0.119 -7.258 1.00 0.30 H new ATOM 0 HB3 LYS A 245 4.680 0.117 -7.886 1.00 0.30 H new ATOM 0 HG2 LYS A 245 5.936 1.371 -9.449 1.00 0.89 H new ATOM 0 HG3 LYS A 245 5.041 2.565 -8.531 1.00 0.89 H new ATOM 0 HD2 LYS A 245 7.054 2.944 -7.093 1.00 1.51 H new ATOM 0 HD3 LYS A 245 7.945 1.779 -8.052 1.00 1.51 H new ATOM 0 HE2 LYS A 245 8.511 3.966 -8.873 1.00 2.00 H new ATOM 0 HE3 LYS A 245 7.515 3.191 -10.089 1.00 2.00 H new ATOM 0 HZ1 LYS A 245 7.084 5.643 -9.055 1.00 2.79 H new ATOM 0 HZ2 LYS A 245 5.914 4.705 -9.851 1.00 2.79 H new ATOM 0 HZ3 LYS A 245 5.996 4.699 -8.155 1.00 2.79 H new ATOM 621 N TRP A 246 3.014 0.002 -5.546 1.00 0.14 N ATOM 622 CA TRP A 246 2.295 -0.951 -4.748 1.00 0.13 C ATOM 623 C TRP A 246 1.626 -1.923 -5.677 1.00 0.14 C ATOM 624 O TRP A 246 1.758 -1.810 -6.888 1.00 0.14 O ATOM 625 CB TRP A 246 1.315 -0.266 -3.782 1.00 0.14 C ATOM 626 CG TRP A 246 1.996 0.708 -2.852 1.00 0.12 C ATOM 627 CD1 TRP A 246 2.542 1.912 -3.196 1.00 0.14 C ATOM 628 CD2 TRP A 246 2.242 0.560 -1.439 1.00 0.11 C ATOM 629 NE1 TRP A 246 3.085 2.519 -2.096 1.00 0.15 N ATOM 630 CE2 TRP A 246 2.919 1.720 -1.015 1.00 0.12 C ATOM 631 CE3 TRP A 246 1.952 -0.419 -0.485 1.00 0.13 C ATOM 632 CZ2 TRP A 246 3.312 1.925 0.296 1.00 0.14 C ATOM 633 CZ3 TRP A 246 2.350 -0.204 0.827 1.00 0.15 C ATOM 634 CH2 TRP A 246 3.019 0.963 1.199 1.00 0.15 C ATOM 0 H TRP A 246 2.475 0.444 -6.291 1.00 0.14 H new ATOM 0 HA TRP A 246 2.983 -1.497 -4.103 1.00 0.13 H new ATOM 0 HB2 TRP A 246 0.553 0.260 -4.357 1.00 0.14 H new ATOM 0 HB3 TRP A 246 0.802 -1.026 -3.193 1.00 0.14 H new ATOM 0 HD1 TRP A 246 2.545 2.326 -4.194 1.00 0.14 H new ATOM 0 HE1 TRP A 246 3.543 3.430 -2.091 1.00 0.15 H new ATOM 0 HE3 TRP A 246 1.430 -1.323 -0.762 1.00 0.13 H new ATOM 0 HZ2 TRP A 246 3.835 2.824 0.588 1.00 0.14 H new ATOM 0 HZ3 TRP A 246 2.138 -0.954 1.574 1.00 0.15 H new ATOM 0 HH2 TRP A 246 3.309 1.100 2.230 1.00 0.15 H new ATOM 645 N LEU A 247 1.154 -3.005 -5.157 1.00 0.15 N ATOM 646 CA LEU A 247 0.620 -4.037 -6.002 1.00 0.14 C ATOM 647 C LEU A 247 -0.808 -4.338 -5.572 1.00 0.15 C ATOM 648 O LEU A 247 -1.066 -4.590 -4.414 1.00 0.16 O ATOM 649 CB LEU A 247 1.500 -5.289 -5.902 1.00 0.15 C ATOM 650 CG LEU A 247 2.429 -5.625 -7.074 1.00 0.16 C ATOM 651 CD1 LEU A 247 1.911 -6.843 -7.821 1.00 0.21 C ATOM 652 CD2 LEU A 247 2.603 -4.452 -8.019 1.00 0.17 C ATOM 0 H LEU A 247 1.124 -3.204 -4.157 1.00 0.15 H new ATOM 0 HA LEU A 247 0.612 -3.708 -7.041 1.00 0.14 H new ATOM 0 HB2 LEU A 247 2.116 -5.191 -5.008 1.00 0.15 H new ATOM 0 HB3 LEU A 247 0.843 -6.144 -5.744 1.00 0.15 H new ATOM 0 HG LEU A 247 3.412 -5.851 -6.660 1.00 0.16 H new ATOM 0 HD11 LEU A 247 2.579 -7.072 -8.651 1.00 0.21 H new ATOM 0 HD12 LEU A 247 1.870 -7.695 -7.143 1.00 0.21 H new ATOM 0 HD13 LEU A 247 0.912 -6.636 -8.205 1.00 0.21 H new ATOM 0 HD21 LEU A 247 3.269 -4.737 -8.834 1.00 0.17 H new ATOM 0 HD22 LEU A 247 1.633 -4.166 -8.426 1.00 0.17 H new ATOM 0 HD23 LEU A 247 3.032 -3.609 -7.477 1.00 0.17 H new ATOM 664 N LYS A 248 -1.704 -4.418 -6.516 1.00 0.19 N ATOM 665 CA LYS A 248 -3.047 -4.890 -6.244 1.00 0.25 C ATOM 666 C LYS A 248 -3.026 -6.380 -6.473 1.00 0.25 C ATOM 667 O LYS A 248 -2.117 -6.851 -7.143 1.00 0.21 O ATOM 668 CB LYS A 248 -4.051 -4.215 -7.181 1.00 0.34 C ATOM 669 CG LYS A 248 -5.499 -4.617 -6.962 1.00 0.77 C ATOM 670 CD LYS A 248 -6.416 -3.897 -7.937 1.00 0.95 C ATOM 671 CE LYS A 248 -7.869 -4.288 -7.739 1.00 1.57 C ATOM 672 NZ LYS A 248 -8.357 -3.931 -6.384 1.00 2.06 N ATOM 0 H LYS A 248 -1.534 -4.162 -7.489 1.00 0.19 H new ATOM 0 HA LYS A 248 -3.352 -4.653 -5.225 1.00 0.25 H new ATOM 0 HB2 LYS A 248 -3.967 -3.135 -7.063 1.00 0.34 H new ATOM 0 HB3 LYS A 248 -3.777 -4.445 -8.211 1.00 0.34 H new ATOM 0 HG2 LYS A 248 -5.604 -5.695 -7.086 1.00 0.77 H new ATOM 0 HG3 LYS A 248 -5.794 -4.384 -5.939 1.00 0.77 H new ATOM 0 HD2 LYS A 248 -6.309 -2.820 -7.809 1.00 0.95 H new ATOM 0 HD3 LYS A 248 -6.114 -4.128 -8.958 1.00 0.95 H new ATOM 0 HE2 LYS A 248 -8.484 -3.791 -8.489 1.00 1.57 H new ATOM 0 HE3 LYS A 248 -7.981 -5.361 -7.894 1.00 1.57 H new ATOM 0 HZ1 LYS A 248 -9.396 -3.892 -6.388 1.00 2.06 H new ATOM 0 HZ2 LYS A 248 -8.041 -4.649 -5.701 1.00 2.06 H new ATOM 0 HZ3 LYS A 248 -7.977 -3.002 -6.112 1.00 2.06 H new ATOM 686 N ASN A 249 -3.862 -7.128 -5.773 1.00 0.34 N ATOM 687 CA ASN A 249 -3.834 -8.582 -5.871 1.00 0.40 C ATOM 688 C ASN A 249 -3.673 -9.006 -7.332 1.00 0.35 C ATOM 689 O ASN A 249 -4.593 -8.848 -8.133 1.00 0.35 O ATOM 690 CB ASN A 249 -5.135 -9.147 -5.315 1.00 0.61 C ATOM 691 CG ASN A 249 -5.002 -10.572 -4.834 1.00 0.75 C ATOM 692 OD1 ASN A 249 -5.172 -10.745 -3.539 1.00 1.38 O flip ATOM 693 ND2 ASN A 249 -4.730 -11.496 -5.605 1.00 1.19 N flip ATOM 0 H ASN A 249 -4.565 -6.758 -5.134 1.00 0.34 H new ATOM 0 HA ASN A 249 -2.991 -8.966 -5.297 1.00 0.40 H new ATOM 0 HB2 ASN A 249 -5.473 -8.521 -4.489 1.00 0.61 H new ATOM 0 HB3 ASN A 249 -5.904 -9.100 -6.086 1.00 0.61 H new ATOM 0 HD21 ASN A 249 -4.608 -11.310 -6.601 1.00 1.19 H new ATOM 0 HD22 ASN A 249 -4.627 -12.446 -5.247 1.00 1.19 H new ATOM 700 N GLY A 250 -2.450 -9.398 -7.687 1.00 0.35 N ATOM 701 CA GLY A 250 -2.106 -9.678 -9.070 1.00 0.35 C ATOM 702 C GLY A 250 -1.818 -8.428 -9.905 1.00 0.33 C ATOM 703 O GLY A 250 -0.902 -8.438 -10.727 1.00 0.39 O ATOM 0 H GLY A 250 -1.682 -9.528 -7.029 1.00 0.35 H new ATOM 0 HA2 GLY A 250 -1.230 -10.327 -9.092 1.00 0.35 H new ATOM 0 HA3 GLY A 250 -2.924 -10.231 -9.532 1.00 0.35 H new ATOM 707 N GLN A 251 -2.609 -7.372 -9.737 1.00 0.30 N ATOM 708 CA GLN A 251 -2.440 -6.154 -10.537 1.00 0.36 C ATOM 709 C GLN A 251 -1.269 -5.316 -10.027 1.00 0.25 C ATOM 710 O GLN A 251 -1.029 -5.230 -8.836 1.00 0.28 O ATOM 711 CB GLN A 251 -3.719 -5.312 -10.517 1.00 0.52 C ATOM 712 CG GLN A 251 -3.646 -4.066 -11.392 1.00 1.28 C ATOM 713 CD GLN A 251 -4.733 -3.058 -11.078 1.00 2.00 C ATOM 714 OE1 GLN A 251 -5.919 -3.313 -11.284 1.00 2.77 O ATOM 715 NE2 GLN A 251 -4.330 -1.897 -10.585 1.00 2.59 N ATOM 0 H GLN A 251 -3.370 -7.331 -9.059 1.00 0.30 H new ATOM 0 HA GLN A 251 -2.229 -6.462 -11.561 1.00 0.36 H new ATOM 0 HB2 GLN A 251 -4.555 -5.929 -10.847 1.00 0.52 H new ATOM 0 HB3 GLN A 251 -3.930 -5.012 -9.490 1.00 0.52 H new ATOM 0 HG2 GLN A 251 -2.672 -3.594 -11.262 1.00 1.28 H new ATOM 0 HG3 GLN A 251 -3.721 -4.359 -12.439 1.00 1.28 H new ATOM 0 HE21 GLN A 251 -3.337 -1.726 -10.429 1.00 2.59 H new ATOM 0 HE22 GLN A 251 -5.013 -1.173 -10.361 1.00 2.59 H new ATOM 724 N GLU A 252 -0.561 -4.668 -10.922 1.00 0.26 N ATOM 725 CA GLU A 252 0.538 -3.818 -10.512 1.00 0.25 C ATOM 726 C GLU A 252 0.082 -2.372 -10.344 1.00 0.27 C ATOM 727 O GLU A 252 -0.730 -1.864 -11.123 1.00 0.32 O ATOM 728 CB GLU A 252 1.701 -3.950 -11.485 1.00 0.32 C ATOM 729 CG GLU A 252 2.255 -5.366 -11.511 1.00 0.60 C ATOM 730 CD GLU A 252 3.505 -5.493 -12.358 1.00 1.05 C ATOM 731 OE1 GLU A 252 3.452 -5.151 -13.559 1.00 1.49 O ATOM 732 OE2 GLU A 252 4.542 -5.949 -11.835 1.00 1.60 O ATOM 0 H GLU A 252 -0.721 -4.710 -11.928 1.00 0.26 H new ATOM 0 HA GLU A 252 0.891 -4.148 -9.535 1.00 0.25 H new ATOM 0 HB2 GLU A 252 1.372 -3.670 -12.486 1.00 0.32 H new ATOM 0 HB3 GLU A 252 2.492 -3.255 -11.203 1.00 0.32 H new ATOM 0 HG2 GLU A 252 2.479 -5.682 -10.492 1.00 0.60 H new ATOM 0 HG3 GLU A 252 1.492 -6.043 -11.895 1.00 0.60 H new ATOM 739 N ILE A 253 0.469 -1.792 -9.218 1.00 0.23 N ATOM 740 CA ILE A 253 -0.006 -0.482 -8.803 1.00 0.27 C ATOM 741 C ILE A 253 1.138 0.544 -8.829 1.00 0.28 C ATOM 742 O ILE A 253 2.064 0.500 -8.012 1.00 0.28 O ATOM 743 CB ILE A 253 -0.644 -0.616 -7.395 1.00 0.26 C ATOM 744 CG1 ILE A 253 -2.094 -1.069 -7.494 1.00 0.31 C ATOM 745 CG2 ILE A 253 -0.528 0.636 -6.556 1.00 0.28 C ATOM 746 CD1 ILE A 253 -2.716 -1.342 -6.145 1.00 0.33 C ATOM 0 H ILE A 253 1.125 -2.219 -8.564 1.00 0.23 H new ATOM 0 HA ILE A 253 -0.763 -0.115 -9.497 1.00 0.27 H new ATOM 0 HB ILE A 253 -0.067 -1.382 -6.877 1.00 0.26 H new ATOM 0 HG12 ILE A 253 -2.675 -0.303 -8.008 1.00 0.31 H new ATOM 0 HG13 ILE A 253 -2.147 -1.972 -8.103 1.00 0.31 H new ATOM 0 HG21 ILE A 253 -0.996 0.468 -5.586 1.00 0.28 H new ATOM 0 HG22 ILE A 253 0.524 0.883 -6.414 1.00 0.28 H new ATOM 0 HG23 ILE A 253 -1.029 1.461 -7.062 1.00 0.28 H new ATOM 0 HD11 ILE A 253 -3.750 -1.661 -6.279 1.00 0.33 H new ATOM 0 HD12 ILE A 253 -2.156 -2.128 -5.639 1.00 0.33 H new ATOM 0 HD13 ILE A 253 -2.692 -0.434 -5.543 1.00 0.33 H new ATOM 758 N GLN A 254 1.146 1.368 -9.865 1.00 0.36 N ATOM 759 CA GLN A 254 2.251 2.288 -10.097 1.00 0.43 C ATOM 760 C GLN A 254 2.162 3.517 -9.194 1.00 0.61 C ATOM 761 O GLN A 254 2.961 3.672 -8.269 1.00 1.42 O ATOM 762 CB GLN A 254 2.272 2.717 -11.565 1.00 0.70 C ATOM 763 CG GLN A 254 2.422 1.557 -12.538 1.00 1.00 C ATOM 764 CD GLN A 254 2.244 1.981 -13.982 1.00 1.75 C ATOM 765 OE1 GLN A 254 2.964 2.842 -14.485 1.00 2.63 O ATOM 766 NE2 GLN A 254 1.288 1.369 -14.660 1.00 2.21 N ATOM 0 H GLN A 254 0.400 1.419 -10.559 1.00 0.36 H new ATOM 0 HA GLN A 254 3.177 1.766 -9.856 1.00 0.43 H new ATOM 0 HB2 GLN A 254 1.350 3.253 -11.791 1.00 0.70 H new ATOM 0 HB3 GLN A 254 3.093 3.417 -11.718 1.00 0.70 H new ATOM 0 HG2 GLN A 254 3.408 1.109 -12.414 1.00 1.00 H new ATOM 0 HG3 GLN A 254 1.689 0.788 -12.296 1.00 1.00 H new ATOM 0 HE21 GLN A 254 0.713 0.660 -14.204 1.00 2.21 H new ATOM 0 HE22 GLN A 254 1.125 1.606 -15.639 1.00 2.21 H new ATOM 775 N MET A 255 1.209 4.396 -9.506 1.00 0.59 N ATOM 776 CA MET A 255 1.018 5.659 -8.786 1.00 0.61 C ATOM 777 C MET A 255 0.027 6.521 -9.555 1.00 0.65 C ATOM 778 O MET A 255 0.114 6.609 -10.781 1.00 0.95 O ATOM 779 CB MET A 255 2.346 6.420 -8.644 1.00 0.95 C ATOM 780 CG MET A 255 2.229 7.760 -7.936 1.00 1.58 C ATOM 781 SD MET A 255 3.787 8.674 -7.927 1.00 2.30 S ATOM 782 CE MET A 255 4.075 8.874 -9.685 1.00 2.61 C ATOM 0 H MET A 255 0.545 4.253 -10.267 1.00 0.59 H new ATOM 0 HA MET A 255 0.639 5.438 -7.788 1.00 0.61 H new ATOM 0 HB2 MET A 255 3.052 5.795 -8.098 1.00 0.95 H new ATOM 0 HB3 MET A 255 2.765 6.583 -9.637 1.00 0.95 H new ATOM 0 HG2 MET A 255 1.462 8.360 -8.425 1.00 1.58 H new ATOM 0 HG3 MET A 255 1.900 7.598 -6.909 1.00 1.58 H new ATOM 0 HE1 MET A 255 4.732 9.728 -9.851 1.00 2.61 H new ATOM 0 HE2 MET A 255 4.543 7.973 -10.082 1.00 2.61 H new ATOM 0 HE3 MET A 255 3.125 9.043 -10.192 1.00 2.61 H new ATOM 792 N SER A 256 -0.931 7.118 -8.859 1.00 0.57 N ATOM 793 CA SER A 256 -1.946 7.935 -9.514 1.00 0.69 C ATOM 794 C SER A 256 -2.552 8.950 -8.550 1.00 1.00 C ATOM 795 O SER A 256 -2.359 8.865 -7.336 1.00 1.47 O ATOM 796 CB SER A 256 -3.049 7.051 -10.107 1.00 0.76 C ATOM 797 OG SER A 256 -2.515 6.107 -11.024 1.00 1.64 O ATOM 0 H SER A 256 -1.027 7.053 -7.846 1.00 0.57 H new ATOM 0 HA SER A 256 -1.457 8.482 -10.320 1.00 0.69 H new ATOM 0 HB2 SER A 256 -3.570 6.528 -9.305 1.00 0.76 H new ATOM 0 HB3 SER A 256 -3.786 7.675 -10.612 1.00 0.76 H new ATOM 0 HG SER A 256 -1.622 6.395 -11.307 1.00 1.64 H new ATOM 803 N GLY A 257 -3.172 9.978 -9.117 1.00 1.01 N ATOM 804 CA GLY A 257 -3.706 11.065 -8.324 1.00 1.41 C ATOM 805 C GLY A 257 -4.936 10.680 -7.529 1.00 1.28 C ATOM 806 O GLY A 257 -5.152 11.195 -6.432 1.00 1.69 O ATOM 0 H GLY A 257 -3.314 10.077 -10.122 1.00 1.01 H new ATOM 0 HA2 GLY A 257 -2.935 11.418 -7.639 1.00 1.41 H new ATOM 0 HA3 GLY A 257 -3.954 11.898 -8.982 1.00 1.41 H new ATOM 810 N SER A 258 -5.797 9.860 -8.114 1.00 1.07 N ATOM 811 CA SER A 258 -7.032 9.472 -7.449 1.00 0.96 C ATOM 812 C SER A 258 -6.819 8.204 -6.627 1.00 0.74 C ATOM 813 O SER A 258 -6.910 8.226 -5.399 1.00 1.14 O ATOM 814 CB SER A 258 -8.146 9.265 -8.477 1.00 1.08 C ATOM 815 OG SER A 258 -9.397 9.042 -7.846 1.00 1.77 O ATOM 0 H SER A 258 -5.665 9.453 -9.040 1.00 1.07 H new ATOM 0 HA SER A 258 -7.330 10.273 -6.773 1.00 0.96 H new ATOM 0 HB2 SER A 258 -8.214 10.140 -9.124 1.00 1.08 H new ATOM 0 HB3 SER A 258 -7.902 8.415 -9.115 1.00 1.08 H new ATOM 0 HG SER A 258 -10.089 8.915 -8.528 1.00 1.77 H new ATOM 821 N LYS A 259 -6.448 7.125 -7.299 1.00 0.51 N ATOM 822 CA LYS A 259 -6.109 5.880 -6.625 1.00 0.37 C ATOM 823 C LYS A 259 -4.598 5.715 -6.616 1.00 0.33 C ATOM 824 O LYS A 259 -3.920 6.308 -7.445 1.00 0.45 O ATOM 825 CB LYS A 259 -6.768 4.688 -7.326 1.00 0.48 C ATOM 826 CG LYS A 259 -8.282 4.795 -7.413 1.00 1.11 C ATOM 827 CD LYS A 259 -8.902 3.532 -7.994 1.00 1.59 C ATOM 828 CE LYS A 259 -10.415 3.651 -8.096 1.00 2.02 C ATOM 829 NZ LYS A 259 -11.047 2.392 -8.578 1.00 2.41 N ATOM 0 H LYS A 259 -6.374 7.086 -8.316 1.00 0.51 H new ATOM 0 HA LYS A 259 -6.480 5.915 -5.601 1.00 0.37 H new ATOM 0 HB2 LYS A 259 -6.360 4.598 -8.333 1.00 0.48 H new ATOM 0 HB3 LYS A 259 -6.507 3.774 -6.793 1.00 0.48 H new ATOM 0 HG2 LYS A 259 -8.692 4.978 -6.420 1.00 1.11 H new ATOM 0 HG3 LYS A 259 -8.552 5.651 -8.032 1.00 1.11 H new ATOM 0 HD2 LYS A 259 -8.483 3.341 -8.982 1.00 1.59 H new ATOM 0 HD3 LYS A 259 -8.644 2.678 -7.368 1.00 1.59 H new ATOM 0 HE2 LYS A 259 -10.824 3.910 -7.119 1.00 2.02 H new ATOM 0 HE3 LYS A 259 -10.669 4.466 -8.774 1.00 2.02 H new ATOM 0 HZ1 LYS A 259 -12.078 2.520 -8.632 1.00 2.41 H new ATOM 0 HZ2 LYS A 259 -10.677 2.157 -9.521 1.00 2.41 H new ATOM 0 HZ3 LYS A 259 -10.828 1.619 -7.918 1.00 2.41 H new ATOM 843 N TYR A 260 -4.073 4.907 -5.693 1.00 0.24 N ATOM 844 CA TYR A 260 -2.631 4.664 -5.610 1.00 0.27 C ATOM 845 C TYR A 260 -1.873 5.983 -5.414 1.00 0.27 C ATOM 846 O TYR A 260 -0.944 6.295 -6.159 1.00 0.29 O ATOM 847 CB TYR A 260 -2.111 3.955 -6.874 1.00 0.33 C ATOM 848 CG TYR A 260 -3.062 2.933 -7.475 1.00 0.43 C ATOM 849 CD1 TYR A 260 -3.794 2.091 -6.647 1.00 0.29 C ATOM 850 CD2 TYR A 260 -3.225 2.799 -8.853 1.00 0.84 C ATOM 851 CE1 TYR A 260 -4.658 1.147 -7.168 1.00 0.52 C ATOM 852 CE2 TYR A 260 -4.086 1.854 -9.381 1.00 1.11 C ATOM 853 CZ TYR A 260 -4.808 1.087 -8.617 1.00 0.95 C ATOM 854 OH TYR A 260 -5.667 0.096 -9.058 1.00 1.24 O ATOM 0 H TYR A 260 -4.624 4.410 -4.993 1.00 0.24 H new ATOM 0 HA TYR A 260 -2.456 4.016 -4.751 1.00 0.27 H new ATOM 0 HB2 TYR A 260 -1.887 4.709 -7.629 1.00 0.33 H new ATOM 0 HB3 TYR A 260 -1.172 3.457 -6.633 1.00 0.33 H new ATOM 0 HD1 TYR A 260 -3.686 2.176 -5.576 1.00 0.29 H new ATOM 0 HD2 TYR A 260 -2.670 3.443 -9.519 1.00 0.84 H new ATOM 0 HE1 TYR A 260 -5.205 0.475 -6.523 1.00 0.52 H new ATOM 0 HE2 TYR A 260 -4.161 1.750 -10.453 1.00 1.11 H new ATOM 0 HH TYR A 260 -6.091 0.379 -9.895 1.00 1.24 H new ATOM 864 N ILE A 261 -2.307 6.767 -4.435 1.00 0.26 N ATOM 865 CA ILE A 261 -1.701 8.064 -4.154 1.00 0.27 C ATOM 866 C ILE A 261 -0.467 7.896 -3.267 1.00 0.28 C ATOM 867 O ILE A 261 -0.532 7.240 -2.232 1.00 0.35 O ATOM 868 CB ILE A 261 -2.695 8.987 -3.420 1.00 0.29 C ATOM 869 CG1 ILE A 261 -3.998 9.138 -4.206 1.00 0.32 C ATOM 870 CG2 ILE A 261 -2.070 10.344 -3.153 1.00 0.33 C ATOM 871 CD1 ILE A 261 -5.028 9.991 -3.497 1.00 0.39 C ATOM 0 H ILE A 261 -3.082 6.525 -3.818 1.00 0.26 H new ATOM 0 HA ILE A 261 -1.421 8.507 -5.110 1.00 0.27 H new ATOM 0 HB ILE A 261 -2.935 8.523 -2.463 1.00 0.29 H new ATOM 0 HG12 ILE A 261 -3.779 9.578 -5.179 1.00 0.32 H new ATOM 0 HG13 ILE A 261 -4.419 8.150 -4.391 1.00 0.32 H new ATOM 0 HG21 ILE A 261 -2.788 10.980 -2.635 1.00 0.33 H new ATOM 0 HG22 ILE A 261 -1.182 10.220 -2.534 1.00 0.33 H new ATOM 0 HG23 ILE A 261 -1.791 10.808 -4.099 1.00 0.33 H new ATOM 0 HD11 ILE A 261 -5.928 10.058 -4.108 1.00 0.39 H new ATOM 0 HD12 ILE A 261 -5.275 9.540 -2.536 1.00 0.39 H new ATOM 0 HD13 ILE A 261 -4.624 10.990 -3.336 1.00 0.39 H new ATOM 883 N PHE A 262 0.639 8.523 -3.631 1.00 0.30 N ATOM 884 CA PHE A 262 1.837 8.435 -2.809 1.00 0.32 C ATOM 885 C PHE A 262 1.778 9.434 -1.649 1.00 0.30 C ATOM 886 O PHE A 262 1.328 10.573 -1.812 1.00 0.37 O ATOM 887 CB PHE A 262 3.105 8.639 -3.659 1.00 0.46 C ATOM 888 CG PHE A 262 3.374 10.060 -4.086 1.00 0.63 C ATOM 889 CD1 PHE A 262 2.860 10.551 -5.273 1.00 0.84 C ATOM 890 CD2 PHE A 262 4.148 10.900 -3.299 1.00 0.87 C ATOM 891 CE1 PHE A 262 3.111 11.850 -5.670 1.00 1.09 C ATOM 892 CE2 PHE A 262 4.401 12.199 -3.691 1.00 1.13 C ATOM 893 CZ PHE A 262 3.884 12.675 -4.877 1.00 1.18 C ATOM 0 H PHE A 262 0.734 9.089 -4.474 1.00 0.30 H new ATOM 0 HA PHE A 262 1.882 7.433 -2.383 1.00 0.32 H new ATOM 0 HB2 PHE A 262 3.964 8.279 -3.093 1.00 0.46 H new ATOM 0 HB3 PHE A 262 3.028 8.018 -4.551 1.00 0.46 H new ATOM 0 HD1 PHE A 262 2.255 9.910 -5.897 1.00 0.84 H new ATOM 0 HD2 PHE A 262 4.557 10.534 -2.369 1.00 0.87 H new ATOM 0 HE1 PHE A 262 2.703 12.220 -6.599 1.00 1.09 H new ATOM 0 HE2 PHE A 262 5.004 12.843 -3.068 1.00 1.13 H new ATOM 0 HZ PHE A 262 4.083 13.691 -5.185 1.00 1.18 H new ATOM 903 N GLU A 263 2.196 8.980 -0.472 1.00 0.26 N ATOM 904 CA GLU A 263 2.213 9.811 0.728 1.00 0.30 C ATOM 905 C GLU A 263 3.401 9.416 1.599 1.00 0.28 C ATOM 906 O GLU A 263 3.703 8.235 1.739 1.00 0.33 O ATOM 907 CB GLU A 263 0.911 9.642 1.518 1.00 0.37 C ATOM 908 CG GLU A 263 0.896 10.385 2.847 1.00 0.56 C ATOM 909 CD GLU A 263 0.871 11.894 2.688 1.00 1.07 C ATOM 910 OE1 GLU A 263 0.596 12.381 1.570 1.00 1.79 O ATOM 911 OE2 GLU A 263 1.099 12.601 3.693 1.00 1.73 O ATOM 0 H GLU A 263 2.532 8.029 -0.323 1.00 0.26 H new ATOM 0 HA GLU A 263 2.305 10.856 0.433 1.00 0.30 H new ATOM 0 HB2 GLU A 263 0.079 9.992 0.907 1.00 0.37 H new ATOM 0 HB3 GLU A 263 0.745 8.581 1.704 1.00 0.37 H new ATOM 0 HG2 GLU A 263 0.024 10.072 3.421 1.00 0.56 H new ATOM 0 HG3 GLU A 263 1.776 10.101 3.424 1.00 0.56 H new ATOM 918 N SER A 264 4.122 10.397 2.111 1.00 0.34 N ATOM 919 CA SER A 264 5.310 10.122 2.904 1.00 0.36 C ATOM 920 C SER A 264 5.171 10.693 4.309 1.00 0.34 C ATOM 921 O SER A 264 4.879 11.880 4.482 1.00 0.39 O ATOM 922 CB SER A 264 6.544 10.709 2.214 1.00 0.46 C ATOM 923 OG SER A 264 7.741 10.299 2.854 1.00 1.41 O ATOM 0 H SER A 264 3.908 11.387 1.994 1.00 0.34 H new ATOM 0 HA SER A 264 5.426 9.041 2.988 1.00 0.36 H new ATOM 0 HB2 SER A 264 6.562 10.395 1.170 1.00 0.46 H new ATOM 0 HB3 SER A 264 6.482 11.797 2.219 1.00 0.46 H new ATOM 0 HG SER A 264 8.511 10.689 2.389 1.00 1.41 H new ATOM 929 N ILE A 265 5.451 9.865 5.306 1.00 0.31 N ATOM 930 CA ILE A 265 5.457 10.307 6.690 1.00 0.34 C ATOM 931 C ILE A 265 6.832 10.041 7.293 1.00 0.38 C ATOM 932 O ILE A 265 7.123 8.921 7.721 1.00 0.42 O ATOM 933 CB ILE A 265 4.379 9.571 7.520 1.00 0.42 C ATOM 934 CG1 ILE A 265 2.994 9.759 6.890 1.00 0.82 C ATOM 935 CG2 ILE A 265 4.384 10.062 8.960 1.00 0.73 C ATOM 936 CD1 ILE A 265 1.898 8.978 7.583 1.00 1.31 C ATOM 0 H ILE A 265 5.678 8.879 5.179 1.00 0.31 H new ATOM 0 HA ILE A 265 5.233 11.373 6.713 1.00 0.34 H new ATOM 0 HB ILE A 265 4.614 8.507 7.521 1.00 0.42 H new ATOM 0 HG12 ILE A 265 2.738 10.818 6.906 1.00 0.82 H new ATOM 0 HG13 ILE A 265 3.037 9.457 5.844 1.00 0.82 H new ATOM 0 HG21 ILE A 265 3.619 9.532 9.528 1.00 0.73 H new ATOM 0 HG22 ILE A 265 5.361 9.874 9.405 1.00 0.73 H new ATOM 0 HG23 ILE A 265 4.176 11.132 8.980 1.00 0.73 H new ATOM 0 HD11 ILE A 265 0.948 9.161 7.081 1.00 1.31 H new ATOM 0 HD12 ILE A 265 2.130 7.914 7.544 1.00 1.31 H new ATOM 0 HD13 ILE A 265 1.826 9.296 8.623 1.00 1.31 H new ATOM 948 N GLY A 266 7.711 11.037 7.214 1.00 0.48 N ATOM 949 CA GLY A 266 9.086 10.839 7.637 1.00 0.65 C ATOM 950 C GLY A 266 9.768 9.781 6.795 1.00 0.86 C ATOM 951 O GLY A 266 9.953 9.960 5.589 1.00 1.93 O ATOM 0 H GLY A 266 7.497 11.972 6.867 1.00 0.48 H new ATOM 0 HA2 GLY A 266 9.633 11.779 7.559 1.00 0.65 H new ATOM 0 HA3 GLY A 266 9.108 10.544 8.686 1.00 0.65 H new ATOM 955 N ALA A 267 9.993 8.625 7.394 1.00 0.48 N ATOM 956 CA ALA A 267 10.454 7.466 6.650 1.00 0.39 C ATOM 957 C ALA A 267 9.277 6.621 6.229 1.00 0.30 C ATOM 958 O ALA A 267 9.333 5.908 5.225 1.00 0.32 O ATOM 959 CB ALA A 267 11.383 6.609 7.477 1.00 0.44 C ATOM 0 H ALA A 267 9.864 8.464 8.393 1.00 0.48 H new ATOM 0 HA ALA A 267 10.993 7.834 5.777 1.00 0.39 H new ATOM 0 HB1 ALA A 267 11.708 5.751 6.888 1.00 0.44 H new ATOM 0 HB2 ALA A 267 12.252 7.196 7.773 1.00 0.44 H new ATOM 0 HB3 ALA A 267 10.860 6.260 8.368 1.00 0.44 H new ATOM 965 N LYS A 268 8.276 6.584 7.093 1.00 0.26 N ATOM 966 CA LYS A 268 7.136 5.727 6.888 1.00 0.25 C ATOM 967 C LYS A 268 6.336 6.182 5.683 1.00 0.29 C ATOM 968 O LYS A 268 5.723 7.253 5.669 1.00 0.47 O ATOM 969 CB LYS A 268 6.277 5.673 8.149 1.00 0.28 C ATOM 970 CG LYS A 268 6.978 4.973 9.306 1.00 0.30 C ATOM 971 CD LYS A 268 6.224 5.177 10.610 1.00 0.41 C ATOM 972 CE LYS A 268 6.993 4.630 11.803 1.00 1.20 C ATOM 973 NZ LYS A 268 6.930 3.148 11.888 1.00 2.00 N ATOM 0 H LYS A 268 8.237 7.143 7.945 1.00 0.26 H new ATOM 0 HA LYS A 268 7.488 4.716 6.684 1.00 0.25 H new ATOM 0 HB2 LYS A 268 6.014 6.687 8.449 1.00 0.28 H new ATOM 0 HB3 LYS A 268 5.344 5.154 7.927 1.00 0.28 H new ATOM 0 HG2 LYS A 268 7.060 3.907 9.093 1.00 0.30 H new ATOM 0 HG3 LYS A 268 7.993 5.357 9.406 1.00 0.30 H new ATOM 0 HD2 LYS A 268 6.035 6.240 10.757 1.00 0.41 H new ATOM 0 HD3 LYS A 268 5.253 4.686 10.548 1.00 0.41 H new ATOM 0 HE2 LYS A 268 8.035 4.943 11.734 1.00 1.20 H new ATOM 0 HE3 LYS A 268 6.590 5.061 12.720 1.00 1.20 H new ATOM 0 HZ1 LYS A 268 6.417 2.871 12.749 1.00 2.00 H new ATOM 0 HZ2 LYS A 268 6.434 2.773 11.054 1.00 2.00 H new ATOM 0 HZ3 LYS A 268 7.895 2.761 11.920 1.00 2.00 H new ATOM 987 N ARG A 269 6.397 5.370 4.655 1.00 0.16 N ATOM 988 CA ARG A 269 5.732 5.652 3.413 1.00 0.16 C ATOM 989 C ARG A 269 4.295 5.157 3.454 1.00 0.18 C ATOM 990 O ARG A 269 3.980 4.196 4.148 1.00 0.17 O ATOM 991 CB ARG A 269 6.493 5.011 2.258 1.00 0.20 C ATOM 992 CG ARG A 269 5.862 5.261 0.914 1.00 0.53 C ATOM 993 CD ARG A 269 5.931 6.729 0.503 1.00 0.79 C ATOM 994 NE ARG A 269 7.283 7.284 0.586 1.00 0.69 N ATOM 995 CZ ARG A 269 7.680 8.383 -0.065 1.00 0.97 C ATOM 996 NH1 ARG A 269 6.877 8.967 -0.946 1.00 1.85 N ATOM 997 NH2 ARG A 269 8.881 8.893 0.165 1.00 1.17 N ATOM 0 H ARG A 269 6.914 4.490 4.660 1.00 0.16 H new ATOM 0 HA ARG A 269 5.713 6.731 3.260 1.00 0.16 H new ATOM 0 HB2 ARG A 269 7.514 5.393 2.249 1.00 0.20 H new ATOM 0 HB3 ARG A 269 6.557 3.936 2.427 1.00 0.20 H new ATOM 0 HG2 ARG A 269 6.363 4.652 0.162 1.00 0.53 H new ATOM 0 HG3 ARG A 269 4.820 4.942 0.940 1.00 0.53 H new ATOM 0 HD2 ARG A 269 5.564 6.832 -0.518 1.00 0.79 H new ATOM 0 HD3 ARG A 269 5.266 7.311 1.141 1.00 0.79 H new ATOM 0 HE ARG A 269 7.963 6.804 1.176 1.00 0.69 H new ATOM 0 HH11 ARG A 269 5.952 8.578 -1.129 1.00 1.85 H new ATOM 0 HH12 ARG A 269 7.185 9.805 -1.440 1.00 1.85 H new ATOM 0 HH21 ARG A 269 9.504 8.448 0.839 1.00 1.17 H new ATOM 0 HH22 ARG A 269 9.183 9.731 -0.332 1.00 1.17 H new ATOM 1011 N THR A 270 3.411 5.884 2.804 1.00 0.18 N ATOM 1012 CA THR A 270 2.008 5.544 2.809 1.00 0.18 C ATOM 1013 C THR A 270 1.413 5.636 1.406 1.00 0.19 C ATOM 1014 O THR A 270 1.619 6.620 0.690 1.00 0.22 O ATOM 1015 CB THR A 270 1.231 6.466 3.766 1.00 0.20 C ATOM 1016 OG1 THR A 270 1.691 6.278 5.113 1.00 0.25 O ATOM 1017 CG2 THR A 270 -0.259 6.197 3.695 1.00 0.24 C ATOM 0 H THR A 270 3.643 6.718 2.264 1.00 0.18 H new ATOM 0 HA THR A 270 1.919 4.514 3.155 1.00 0.18 H new ATOM 0 HB THR A 270 1.410 7.497 3.460 1.00 0.20 H new ATOM 0 HG1 THR A 270 1.095 5.655 5.578 1.00 0.25 H new ATOM 0 HG21 THR A 270 -0.782 6.863 4.381 1.00 0.24 H new ATOM 0 HG22 THR A 270 -0.612 6.373 2.679 1.00 0.24 H new ATOM 0 HG23 THR A 270 -0.455 5.162 3.973 1.00 0.24 H new ATOM 1025 N LEU A 271 0.664 4.610 1.030 1.00 0.17 N ATOM 1026 CA LEU A 271 -0.038 4.604 -0.243 1.00 0.17 C ATOM 1027 C LEU A 271 -1.498 4.972 -0.010 1.00 0.16 C ATOM 1028 O LEU A 271 -2.283 4.143 0.431 1.00 0.17 O ATOM 1029 CB LEU A 271 0.066 3.218 -0.895 1.00 0.20 C ATOM 1030 CG LEU A 271 -0.392 3.096 -2.359 1.00 0.26 C ATOM 1031 CD1 LEU A 271 -1.900 2.927 -2.459 1.00 0.56 C ATOM 1032 CD2 LEU A 271 0.072 4.295 -3.170 1.00 0.49 C ATOM 0 H LEU A 271 0.527 3.769 1.591 1.00 0.17 H new ATOM 0 HA LEU A 271 0.415 5.334 -0.914 1.00 0.17 H new ATOM 0 HB2 LEU A 271 1.105 2.894 -0.838 1.00 0.20 H new ATOM 0 HB3 LEU A 271 -0.519 2.519 -0.298 1.00 0.20 H new ATOM 0 HG LEU A 271 0.068 2.200 -2.776 1.00 0.26 H new ATOM 0 HD11 LEU A 271 -2.188 2.844 -3.507 1.00 0.56 H new ATOM 0 HD12 LEU A 271 -2.201 2.024 -1.927 1.00 0.56 H new ATOM 0 HD13 LEU A 271 -2.393 3.791 -2.014 1.00 0.56 H new ATOM 0 HD21 LEU A 271 -0.263 4.188 -4.202 1.00 0.49 H new ATOM 0 HD22 LEU A 271 -0.348 5.206 -2.745 1.00 0.49 H new ATOM 0 HD23 LEU A 271 1.160 4.352 -3.146 1.00 0.49 H new ATOM 1044 N THR A 272 -1.869 6.199 -0.303 1.00 0.18 N ATOM 1045 CA THR A 272 -3.244 6.619 -0.129 1.00 0.21 C ATOM 1046 C THR A 272 -4.104 6.061 -1.257 1.00 0.22 C ATOM 1047 O THR A 272 -3.942 6.429 -2.420 1.00 0.29 O ATOM 1048 CB THR A 272 -3.360 8.153 -0.096 1.00 0.27 C ATOM 1049 OG1 THR A 272 -2.232 8.712 0.596 1.00 0.33 O ATOM 1050 CG2 THR A 272 -4.642 8.580 0.600 1.00 0.30 C ATOM 0 H THR A 272 -1.243 6.920 -0.661 1.00 0.18 H new ATOM 0 HA THR A 272 -3.597 6.231 0.826 1.00 0.21 H new ATOM 0 HB THR A 272 -3.379 8.519 -1.123 1.00 0.27 H new ATOM 0 HG1 THR A 272 -2.310 9.689 0.613 1.00 0.33 H new ATOM 0 HG21 THR A 272 -4.704 9.668 0.612 1.00 0.30 H new ATOM 0 HG22 THR A 272 -5.500 8.174 0.064 1.00 0.30 H new ATOM 0 HG23 THR A 272 -4.643 8.205 1.623 1.00 0.30 H new ATOM 1058 N ILE A 273 -4.963 5.118 -0.931 1.00 0.23 N ATOM 1059 CA ILE A 273 -5.795 4.486 -1.932 1.00 0.26 C ATOM 1060 C ILE A 273 -7.245 4.942 -1.788 1.00 0.28 C ATOM 1061 O ILE A 273 -7.829 4.911 -0.695 1.00 0.27 O ATOM 1062 CB ILE A 273 -5.672 2.934 -1.885 1.00 0.31 C ATOM 1063 CG1 ILE A 273 -5.298 2.393 -3.267 1.00 0.41 C ATOM 1064 CG2 ILE A 273 -6.948 2.268 -1.390 1.00 0.32 C ATOM 1065 CD1 ILE A 273 -6.303 2.724 -4.346 1.00 0.86 C ATOM 0 H ILE A 273 -5.103 4.773 0.019 1.00 0.23 H new ATOM 0 HA ILE A 273 -5.439 4.800 -2.913 1.00 0.26 H new ATOM 0 HB ILE A 273 -4.883 2.693 -1.172 1.00 0.31 H new ATOM 0 HG12 ILE A 273 -4.326 2.795 -3.553 1.00 0.41 H new ATOM 0 HG13 ILE A 273 -5.189 1.310 -3.205 1.00 0.41 H new ATOM 0 HG21 ILE A 273 -6.812 1.187 -1.375 1.00 0.32 H new ATOM 0 HG22 ILE A 273 -7.175 2.619 -0.383 1.00 0.32 H new ATOM 0 HG23 ILE A 273 -7.773 2.521 -2.057 1.00 0.32 H new ATOM 0 HD11 ILE A 273 -5.968 2.307 -5.296 1.00 0.86 H new ATOM 0 HD12 ILE A 273 -7.272 2.298 -4.084 1.00 0.86 H new ATOM 0 HD13 ILE A 273 -6.395 3.806 -4.438 1.00 0.86 H new ATOM 1077 N SER A 274 -7.790 5.425 -2.888 1.00 0.33 N ATOM 1078 CA SER A 274 -9.152 5.904 -2.929 1.00 0.39 C ATOM 1079 C SER A 274 -10.017 4.901 -3.671 1.00 0.45 C ATOM 1080 O SER A 274 -9.546 4.265 -4.613 1.00 0.50 O ATOM 1081 CB SER A 274 -9.202 7.261 -3.624 1.00 0.52 C ATOM 1082 OG SER A 274 -8.292 8.172 -3.033 1.00 1.13 O ATOM 0 H SER A 274 -7.297 5.495 -3.778 1.00 0.33 H new ATOM 0 HA SER A 274 -9.530 6.018 -1.913 1.00 0.39 H new ATOM 0 HB2 SER A 274 -8.965 7.140 -4.681 1.00 0.52 H new ATOM 0 HB3 SER A 274 -10.213 7.664 -3.568 1.00 0.52 H new ATOM 0 HG SER A 274 -7.601 8.413 -3.685 1.00 1.13 H new ATOM 1088 N GLN A 275 -11.262 4.744 -3.231 1.00 0.51 N ATOM 1089 CA GLN A 275 -12.188 3.800 -3.852 1.00 0.62 C ATOM 1090 C GLN A 275 -11.650 2.375 -3.762 1.00 0.62 C ATOM 1091 O GLN A 275 -11.275 1.776 -4.773 1.00 0.74 O ATOM 1092 CB GLN A 275 -12.450 4.167 -5.318 1.00 0.75 C ATOM 1093 CG GLN A 275 -13.051 5.549 -5.517 1.00 0.90 C ATOM 1094 CD GLN A 275 -13.259 5.873 -6.983 1.00 1.53 C ATOM 1095 OE1 GLN A 275 -13.960 5.154 -7.696 1.00 2.14 O ATOM 1096 NE2 GLN A 275 -12.655 6.951 -7.446 1.00 2.27 N ATOM 0 H GLN A 275 -11.655 5.260 -2.444 1.00 0.51 H new ATOM 0 HA GLN A 275 -13.130 3.856 -3.307 1.00 0.62 H new ATOM 0 HB2 GLN A 275 -11.511 4.109 -5.869 1.00 0.75 H new ATOM 0 HB3 GLN A 275 -13.121 3.426 -5.752 1.00 0.75 H new ATOM 0 HG2 GLN A 275 -14.005 5.608 -4.994 1.00 0.90 H new ATOM 0 HG3 GLN A 275 -12.396 6.297 -5.070 1.00 0.90 H new ATOM 0 HE21 GLN A 275 -12.082 7.522 -6.824 1.00 2.27 H new ATOM 0 HE22 GLN A 275 -12.761 7.214 -8.426 1.00 2.27 H new ATOM 1105 N CYS A 276 -11.703 1.808 -2.565 1.00 0.60 N ATOM 1106 CA CYS A 276 -11.294 0.435 -2.349 1.00 0.69 C ATOM 1107 C CYS A 276 -12.103 -0.101 -1.204 1.00 0.75 C ATOM 1108 O CYS A 276 -11.585 -0.699 -0.268 1.00 1.27 O ATOM 1109 CB CYS A 276 -9.797 0.339 -2.043 1.00 0.80 C ATOM 1110 SG CYS A 276 -8.740 0.507 -3.499 1.00 2.00 S ATOM 0 H CYS A 276 -12.029 2.286 -1.725 1.00 0.60 H new ATOM 0 HA CYS A 276 -11.468 -0.151 -3.252 1.00 0.69 H new ATOM 0 HB2 CYS A 276 -9.533 1.114 -1.323 1.00 0.80 H new ATOM 0 HB3 CYS A 276 -9.594 -0.621 -1.568 1.00 0.80 H new ATOM 0 HG CYS A 276 -9.277 -0.124 -4.500 1.00 2.00 H new ATOM 1116 N SER A 277 -13.363 0.268 -1.225 1.00 0.54 N ATOM 1117 CA SER A 277 -14.249 -0.009 -0.136 1.00 0.52 C ATOM 1118 C SER A 277 -14.770 -1.443 -0.205 1.00 0.48 C ATOM 1119 O SER A 277 -13.987 -2.387 -0.327 1.00 0.47 O ATOM 1120 CB SER A 277 -15.389 0.997 -0.155 1.00 0.56 C ATOM 1121 OG SER A 277 -15.964 1.087 -1.441 1.00 0.63 O ATOM 0 H SER A 277 -13.795 0.769 -2.001 1.00 0.54 H new ATOM 0 HA SER A 277 -13.707 0.087 0.805 1.00 0.52 H new ATOM 0 HB2 SER A 277 -16.150 0.703 0.568 1.00 0.56 H new ATOM 0 HB3 SER A 277 -15.020 1.976 0.151 1.00 0.56 H new ATOM 0 HG SER A 277 -16.696 1.739 -1.427 1.00 0.63 H new ATOM 1127 N LEU A 278 -16.087 -1.604 -0.135 1.00 0.51 N ATOM 1128 CA LEU A 278 -16.709 -2.919 -0.143 1.00 0.54 C ATOM 1129 C LEU A 278 -16.663 -3.549 -1.541 1.00 0.58 C ATOM 1130 O LEU A 278 -17.695 -3.927 -2.095 1.00 0.71 O ATOM 1131 CB LEU A 278 -18.161 -2.813 0.333 1.00 0.63 C ATOM 1132 CG LEU A 278 -18.556 -3.791 1.441 1.00 0.78 C ATOM 1133 CD1 LEU A 278 -18.424 -5.232 0.969 1.00 1.22 C ATOM 1134 CD2 LEU A 278 -17.707 -3.553 2.675 1.00 0.79 C ATOM 0 H LEU A 278 -16.748 -0.830 -0.072 1.00 0.51 H new ATOM 0 HA LEU A 278 -16.149 -3.561 0.537 1.00 0.54 H new ATOM 0 HB2 LEU A 278 -18.337 -1.797 0.687 1.00 0.63 H new ATOM 0 HB3 LEU A 278 -18.819 -2.972 -0.521 1.00 0.63 H new ATOM 0 HG LEU A 278 -19.601 -3.617 1.696 1.00 0.78 H new ATOM 0 HD11 LEU A 278 -18.711 -5.907 1.776 1.00 1.22 H new ATOM 0 HD12 LEU A 278 -19.076 -5.395 0.111 1.00 1.22 H new ATOM 0 HD13 LEU A 278 -17.391 -5.428 0.682 1.00 1.22 H new ATOM 0 HD21 LEU A 278 -17.997 -4.255 3.457 1.00 0.79 H new ATOM 0 HD22 LEU A 278 -16.656 -3.700 2.427 1.00 0.79 H new ATOM 0 HD23 LEU A 278 -17.857 -2.533 3.029 1.00 0.79 H new ATOM 1146 N ALA A 279 -15.474 -3.611 -2.126 1.00 0.53 N ATOM 1147 CA ALA A 279 -15.307 -4.141 -3.473 1.00 0.61 C ATOM 1148 C ALA A 279 -13.859 -4.542 -3.726 1.00 0.58 C ATOM 1149 O ALA A 279 -13.590 -5.587 -4.323 1.00 0.62 O ATOM 1150 CB ALA A 279 -15.757 -3.116 -4.507 1.00 0.71 C ATOM 0 H ALA A 279 -14.608 -3.299 -1.687 1.00 0.53 H new ATOM 0 HA ALA A 279 -15.929 -5.031 -3.565 1.00 0.61 H new ATOM 0 HB1 ALA A 279 -15.626 -3.527 -5.508 1.00 0.71 H new ATOM 0 HB2 ALA A 279 -16.808 -2.876 -4.348 1.00 0.71 H new ATOM 0 HB3 ALA A 279 -15.159 -2.210 -4.406 1.00 0.71 H new ATOM 1156 N ASP A 280 -12.930 -3.700 -3.294 1.00 0.56 N ATOM 1157 CA ASP A 280 -11.507 -3.958 -3.507 1.00 0.59 C ATOM 1158 C ASP A 280 -10.914 -4.790 -2.380 1.00 0.50 C ATOM 1159 O ASP A 280 -9.703 -5.002 -2.321 1.00 0.70 O ATOM 1160 CB ASP A 280 -10.745 -2.647 -3.662 1.00 0.70 C ATOM 1161 CG ASP A 280 -10.560 -2.260 -5.114 1.00 1.21 C ATOM 1162 OD1 ASP A 280 -10.895 -3.067 -6.001 1.00 1.77 O ATOM 1163 OD2 ASP A 280 -10.110 -1.124 -5.381 1.00 1.84 O ATOM 0 H ASP A 280 -13.132 -2.834 -2.795 1.00 0.56 H new ATOM 0 HA ASP A 280 -11.409 -4.533 -4.428 1.00 0.59 H new ATOM 0 HB2 ASP A 280 -11.282 -1.853 -3.142 1.00 0.70 H new ATOM 0 HB3 ASP A 280 -9.769 -2.738 -3.185 1.00 0.70 H new ATOM 1168 N ASP A 281 -11.795 -5.338 -1.555 1.00 0.37 N ATOM 1169 CA ASP A 281 -11.412 -6.267 -0.497 1.00 0.33 C ATOM 1170 C ASP A 281 -10.687 -7.478 -1.090 1.00 0.34 C ATOM 1171 O ASP A 281 -11.291 -8.286 -1.802 1.00 0.43 O ATOM 1172 CB ASP A 281 -12.670 -6.719 0.257 1.00 0.40 C ATOM 1173 CG ASP A 281 -12.395 -7.781 1.304 1.00 0.52 C ATOM 1174 OD1 ASP A 281 -11.792 -7.462 2.345 1.00 1.12 O ATOM 1175 OD2 ASP A 281 -12.790 -8.947 1.094 1.00 0.81 O ATOM 0 H ASP A 281 -12.797 -5.152 -1.599 1.00 0.37 H new ATOM 0 HA ASP A 281 -10.734 -5.767 0.195 1.00 0.33 H new ATOM 0 HB2 ASP A 281 -13.127 -5.854 0.738 1.00 0.40 H new ATOM 0 HB3 ASP A 281 -13.395 -7.105 -0.459 1.00 0.40 H new ATOM 1180 N ALA A 282 -9.383 -7.563 -0.828 1.00 0.31 N ATOM 1181 CA ALA A 282 -8.536 -8.629 -1.368 1.00 0.37 C ATOM 1182 C ALA A 282 -7.135 -8.538 -0.766 1.00 0.35 C ATOM 1183 O ALA A 282 -6.967 -8.753 0.431 1.00 0.58 O ATOM 1184 CB ALA A 282 -8.466 -8.560 -2.888 1.00 0.48 C ATOM 0 H ALA A 282 -8.884 -6.898 -0.237 1.00 0.31 H new ATOM 0 HA ALA A 282 -8.979 -9.587 -1.097 1.00 0.37 H new ATOM 0 HB1 ALA A 282 -7.830 -9.364 -3.260 1.00 0.48 H new ATOM 0 HB2 ALA A 282 -9.468 -8.668 -3.304 1.00 0.48 H new ATOM 0 HB3 ALA A 282 -8.050 -7.599 -3.190 1.00 0.48 H new ATOM 1190 N ALA A 283 -6.144 -8.146 -1.573 1.00 0.22 N ATOM 1191 CA ALA A 283 -4.791 -7.922 -1.062 1.00 0.17 C ATOM 1192 C ALA A 283 -4.059 -6.858 -1.876 1.00 0.15 C ATOM 1193 O ALA A 283 -4.097 -6.879 -3.112 1.00 0.19 O ATOM 1194 CB ALA A 283 -3.992 -9.219 -1.046 1.00 0.22 C ATOM 0 H ALA A 283 -6.253 -7.979 -2.573 1.00 0.22 H new ATOM 0 HA ALA A 283 -4.884 -7.561 -0.038 1.00 0.17 H new ATOM 0 HB1 ALA A 283 -2.991 -9.025 -0.662 1.00 0.22 H new ATOM 0 HB2 ALA A 283 -4.491 -9.946 -0.406 1.00 0.22 H new ATOM 0 HB3 ALA A 283 -3.922 -9.616 -2.059 1.00 0.22 H new ATOM 1200 N TYR A 284 -3.301 -6.008 -1.188 1.00 0.12 N ATOM 1201 CA TYR A 284 -2.437 -5.028 -1.853 1.00 0.13 C ATOM 1202 C TYR A 284 -0.991 -5.194 -1.371 1.00 0.14 C ATOM 1203 O TYR A 284 -0.688 -5.013 -0.197 1.00 0.16 O ATOM 1204 CB TYR A 284 -2.908 -3.571 -1.618 1.00 0.15 C ATOM 1205 CG TYR A 284 -4.071 -3.122 -2.496 1.00 0.19 C ATOM 1206 CD1 TYR A 284 -5.066 -4.022 -2.898 1.00 0.22 C ATOM 1207 CD2 TYR A 284 -4.186 -1.804 -2.917 1.00 0.26 C ATOM 1208 CE1 TYR A 284 -6.122 -3.609 -3.687 1.00 0.29 C ATOM 1209 CE2 TYR A 284 -5.243 -1.389 -3.702 1.00 0.32 C ATOM 1210 CZ TYR A 284 -6.186 -2.308 -4.117 1.00 0.35 C ATOM 1211 OH TYR A 284 -7.263 -1.880 -4.860 1.00 0.41 O ATOM 0 H TYR A 284 -3.265 -5.976 -0.169 1.00 0.12 H new ATOM 0 HA TYR A 284 -2.495 -5.219 -2.925 1.00 0.13 H new ATOM 0 HB2 TYR A 284 -3.198 -3.463 -0.573 1.00 0.15 H new ATOM 0 HB3 TYR A 284 -2.065 -2.901 -1.786 1.00 0.15 H new ATOM 0 HD1 TYR A 284 -5.007 -5.054 -2.586 1.00 0.22 H new ATOM 0 HD2 TYR A 284 -3.432 -1.088 -2.624 1.00 0.26 H new ATOM 0 HE1 TYR A 284 -6.896 -4.309 -3.965 1.00 0.29 H new ATOM 0 HE2 TYR A 284 -5.332 -0.352 -3.990 1.00 0.32 H new ATOM 0 HH TYR A 284 -7.701 -1.133 -4.401 1.00 0.41 H new ATOM 1221 N GLN A 285 -0.109 -5.545 -2.294 1.00 0.13 N ATOM 1222 CA GLN A 285 1.304 -5.717 -2.010 1.00 0.13 C ATOM 1223 C GLN A 285 2.029 -4.377 -2.063 1.00 0.12 C ATOM 1224 O GLN A 285 1.509 -3.403 -2.603 1.00 0.13 O ATOM 1225 CB GLN A 285 1.951 -6.680 -3.015 1.00 0.12 C ATOM 1226 CG GLN A 285 1.345 -8.073 -3.042 1.00 0.15 C ATOM 1227 CD GLN A 285 0.083 -8.181 -3.880 1.00 0.21 C ATOM 1228 OE1 GLN A 285 -0.156 -7.207 -4.745 1.00 0.29 O flip ATOM 1229 NE2 GLN A 285 -0.653 -9.159 -3.781 1.00 0.18 N flip ATOM 0 H GLN A 285 -0.357 -5.719 -3.268 1.00 0.13 H new ATOM 0 HA GLN A 285 1.391 -6.136 -1.008 1.00 0.13 H new ATOM 0 HB2 GLN A 285 1.876 -6.247 -4.012 1.00 0.12 H new ATOM 0 HB3 GLN A 285 3.013 -6.765 -2.784 1.00 0.12 H new ATOM 0 HG2 GLN A 285 2.086 -8.773 -3.428 1.00 0.15 H new ATOM 0 HG3 GLN A 285 1.118 -8.379 -2.021 1.00 0.15 H new ATOM 0 HE21 GLN A 285 -0.440 -9.891 -3.104 1.00 0.18 H new ATOM 0 HE22 GLN A 285 -1.478 -9.239 -4.376 1.00 0.18 H new ATOM 1238 N CYS A 286 3.257 -4.359 -1.575 1.00 0.14 N ATOM 1239 CA CYS A 286 4.085 -3.157 -1.622 1.00 0.19 C ATOM 1240 C CYS A 286 5.343 -3.412 -2.397 1.00 0.19 C ATOM 1241 O CYS A 286 5.849 -4.532 -2.380 1.00 0.20 O ATOM 1242 CB CYS A 286 4.447 -2.723 -0.238 1.00 0.28 C ATOM 1243 SG CYS A 286 5.364 -3.952 0.723 1.00 1.00 S ATOM 0 H CYS A 286 3.708 -5.164 -1.139 1.00 0.14 H new ATOM 0 HA CYS A 286 3.511 -2.372 -2.115 1.00 0.19 H new ATOM 0 HB2 CYS A 286 5.043 -1.813 -0.301 1.00 0.28 H new ATOM 0 HB3 CYS A 286 3.533 -2.469 0.299 1.00 0.28 H new ATOM 0 HG CYS A 286 6.549 -3.493 0.997 1.00 1.00 H new ATOM 1249 N VAL A 287 5.710 -2.475 -3.262 1.00 0.20 N ATOM 1250 CA VAL A 287 6.715 -2.780 -4.252 1.00 0.21 C ATOM 1251 C VAL A 287 7.655 -1.606 -4.575 1.00 0.22 C ATOM 1252 O VAL A 287 7.244 -0.472 -4.809 1.00 0.24 O ATOM 1253 CB VAL A 287 6.031 -3.352 -5.529 1.00 0.21 C ATOM 1254 CG1 VAL A 287 4.552 -3.605 -5.249 1.00 0.18 C ATOM 1255 CG2 VAL A 287 6.202 -2.456 -6.746 1.00 0.27 C ATOM 0 H VAL A 287 5.336 -1.527 -3.294 1.00 0.20 H new ATOM 0 HA VAL A 287 7.370 -3.538 -3.823 1.00 0.21 H new ATOM 0 HB VAL A 287 6.527 -4.292 -5.771 1.00 0.21 H new ATOM 0 HG11 VAL A 287 4.076 -4.005 -6.144 1.00 0.18 H new ATOM 0 HG12 VAL A 287 4.453 -4.322 -4.434 1.00 0.18 H new ATOM 0 HG13 VAL A 287 4.069 -2.669 -4.969 1.00 0.18 H new ATOM 0 HG21 VAL A 287 5.704 -2.908 -7.604 1.00 0.27 H new ATOM 0 HG22 VAL A 287 5.762 -1.480 -6.544 1.00 0.27 H new ATOM 0 HG23 VAL A 287 7.263 -2.337 -6.964 1.00 0.27 H new ATOM 1265 N VAL A 288 8.934 -1.919 -4.634 1.00 0.24 N ATOM 1266 CA VAL A 288 9.955 -0.962 -5.035 1.00 0.26 C ATOM 1267 C VAL A 288 11.026 -1.704 -5.819 1.00 0.33 C ATOM 1268 O VAL A 288 11.645 -2.636 -5.299 1.00 0.37 O ATOM 1269 CB VAL A 288 10.618 -0.246 -3.831 1.00 0.27 C ATOM 1270 CG1 VAL A 288 11.824 0.559 -4.286 1.00 0.31 C ATOM 1271 CG2 VAL A 288 9.634 0.669 -3.123 1.00 0.36 C ATOM 0 H VAL A 288 9.299 -2.844 -4.406 1.00 0.24 H new ATOM 0 HA VAL A 288 9.471 -0.194 -5.638 1.00 0.26 H new ATOM 0 HB VAL A 288 10.942 -1.016 -3.130 1.00 0.27 H new ATOM 0 HG11 VAL A 288 12.276 1.054 -3.427 1.00 0.31 H new ATOM 0 HG12 VAL A 288 12.554 -0.107 -4.746 1.00 0.31 H new ATOM 0 HG13 VAL A 288 11.508 1.308 -5.012 1.00 0.31 H new ATOM 0 HG21 VAL A 288 10.130 1.156 -2.283 1.00 0.36 H new ATOM 0 HG22 VAL A 288 9.274 1.425 -3.820 1.00 0.36 H new ATOM 0 HG23 VAL A 288 8.791 0.083 -2.756 1.00 0.36 H new ATOM 1281 N GLY A 289 11.198 -1.337 -7.079 1.00 0.43 N ATOM 1282 CA GLY A 289 12.158 -2.019 -7.925 1.00 0.57 C ATOM 1283 C GLY A 289 11.817 -3.486 -8.121 1.00 0.73 C ATOM 1284 O GLY A 289 12.669 -4.360 -7.934 1.00 1.51 O ATOM 0 H GLY A 289 10.690 -0.578 -7.533 1.00 0.43 H new ATOM 0 HA2 GLY A 289 12.198 -1.525 -8.896 1.00 0.57 H new ATOM 0 HA3 GLY A 289 13.151 -1.935 -7.484 1.00 0.57 H new ATOM 1288 N GLY A 290 10.565 -3.760 -8.471 1.00 0.41 N ATOM 1289 CA GLY A 290 10.128 -5.128 -8.704 1.00 0.41 C ATOM 1290 C GLY A 290 9.730 -5.862 -7.434 1.00 0.37 C ATOM 1291 O GLY A 290 8.874 -6.748 -7.467 1.00 0.64 O ATOM 0 H GLY A 290 9.839 -3.055 -8.599 1.00 0.41 H new ATOM 0 HA2 GLY A 290 9.281 -5.119 -9.389 1.00 0.41 H new ATOM 0 HA3 GLY A 290 10.930 -5.678 -9.196 1.00 0.41 H new ATOM 1295 N GLU A 291 10.410 -5.552 -6.335 1.00 0.27 N ATOM 1296 CA GLU A 291 10.186 -6.226 -5.060 1.00 0.22 C ATOM 1297 C GLU A 291 8.766 -5.975 -4.558 1.00 0.16 C ATOM 1298 O GLU A 291 8.403 -4.832 -4.354 1.00 0.19 O ATOM 1299 CB GLU A 291 11.210 -5.694 -4.043 1.00 0.26 C ATOM 1300 CG GLU A 291 12.647 -5.914 -4.485 1.00 0.53 C ATOM 1301 CD GLU A 291 13.655 -5.170 -3.635 1.00 1.48 C ATOM 1302 OE1 GLU A 291 13.256 -4.518 -2.652 1.00 2.19 O ATOM 1303 OE2 GLU A 291 14.861 -5.234 -3.953 1.00 2.11 O ATOM 0 H GLU A 291 11.129 -4.829 -6.302 1.00 0.27 H new ATOM 0 HA GLU A 291 10.309 -7.301 -5.189 1.00 0.22 H new ATOM 0 HB2 GLU A 291 11.041 -4.628 -3.888 1.00 0.26 H new ATOM 0 HB3 GLU A 291 11.051 -6.185 -3.083 1.00 0.26 H new ATOM 0 HG2 GLU A 291 12.871 -6.980 -4.452 1.00 0.53 H new ATOM 0 HG3 GLU A 291 12.753 -5.598 -5.523 1.00 0.53 H new ATOM 1310 N LYS A 292 7.999 -7.038 -4.294 1.00 0.18 N ATOM 1311 CA LYS A 292 6.632 -6.902 -3.774 1.00 0.16 C ATOM 1312 C LYS A 292 6.413 -7.765 -2.528 1.00 0.17 C ATOM 1313 O LYS A 292 6.807 -8.930 -2.481 1.00 0.29 O ATOM 1314 CB LYS A 292 5.593 -7.231 -4.851 1.00 0.18 C ATOM 1315 CG LYS A 292 5.844 -8.513 -5.620 1.00 0.23 C ATOM 1316 CD LYS A 292 4.738 -8.734 -6.636 1.00 0.29 C ATOM 1317 CE LYS A 292 5.128 -9.748 -7.703 1.00 0.49 C ATOM 1318 NZ LYS A 292 5.328 -11.115 -7.151 1.00 1.33 N ATOM 0 H LYS A 292 8.301 -8.003 -4.431 1.00 0.18 H new ATOM 0 HA LYS A 292 6.501 -5.860 -3.483 1.00 0.16 H new ATOM 0 HB2 LYS A 292 4.612 -7.295 -4.380 1.00 0.18 H new ATOM 0 HB3 LYS A 292 5.553 -6.403 -5.559 1.00 0.18 H new ATOM 0 HG2 LYS A 292 6.808 -8.461 -6.125 1.00 0.23 H new ATOM 0 HG3 LYS A 292 5.890 -9.357 -4.931 1.00 0.23 H new ATOM 0 HD2 LYS A 292 3.840 -9.077 -6.123 1.00 0.29 H new ATOM 0 HD3 LYS A 292 4.490 -7.785 -7.112 1.00 0.29 H new ATOM 0 HE2 LYS A 292 4.353 -9.780 -8.469 1.00 0.49 H new ATOM 0 HE3 LYS A 292 6.046 -9.420 -8.192 1.00 0.49 H new ATOM 0 HZ1 LYS A 292 5.592 -11.764 -7.919 1.00 1.33 H new ATOM 0 HZ2 LYS A 292 6.086 -11.095 -6.439 1.00 1.33 H new ATOM 0 HZ3 LYS A 292 4.446 -11.443 -6.708 1.00 1.33 H new ATOM 1332 N CYS A 293 5.742 -7.179 -1.543 1.00 0.16 N ATOM 1333 CA CYS A 293 5.378 -7.871 -0.308 1.00 0.18 C ATOM 1334 C CYS A 293 3.883 -7.756 -0.117 1.00 0.15 C ATOM 1335 O CYS A 293 3.334 -6.662 -0.229 1.00 0.14 O ATOM 1336 CB CYS A 293 6.097 -7.263 0.895 1.00 0.28 C ATOM 1337 SG CYS A 293 7.825 -7.755 1.065 1.00 1.55 S ATOM 0 H CYS A 293 5.433 -6.207 -1.577 1.00 0.16 H new ATOM 0 HA CYS A 293 5.675 -8.917 -0.384 1.00 0.18 H new ATOM 0 HB2 CYS A 293 6.048 -6.177 0.820 1.00 0.28 H new ATOM 0 HB3 CYS A 293 5.562 -7.544 1.802 1.00 0.28 H new ATOM 0 HG CYS A 293 8.338 -7.182 2.113 1.00 1.55 H new ATOM 1343 N SER A 294 3.213 -8.884 0.021 1.00 0.17 N ATOM 1344 CA SER A 294 1.762 -8.891 0.020 1.00 0.18 C ATOM 1345 C SER A 294 1.171 -8.542 1.372 1.00 0.17 C ATOM 1346 O SER A 294 1.595 -9.051 2.410 1.00 0.20 O ATOM 1347 CB SER A 294 1.232 -10.244 -0.463 1.00 0.27 C ATOM 1348 OG SER A 294 1.911 -11.322 0.157 1.00 0.61 O ATOM 0 H SER A 294 3.645 -9.801 0.134 1.00 0.17 H new ATOM 0 HA SER A 294 1.445 -8.112 -0.673 1.00 0.18 H new ATOM 0 HB2 SER A 294 0.165 -10.315 -0.250 1.00 0.27 H new ATOM 0 HB3 SER A 294 1.346 -10.315 -1.545 1.00 0.27 H new ATOM 0 HG SER A 294 1.547 -12.170 -0.172 1.00 0.61 H new ATOM 1354 N THR A 295 0.128 -7.738 1.332 1.00 0.17 N ATOM 1355 CA THR A 295 -0.644 -7.418 2.508 1.00 0.15 C ATOM 1356 C THR A 295 -2.117 -7.470 2.134 1.00 0.15 C ATOM 1357 O THR A 295 -2.485 -7.076 1.029 1.00 0.15 O ATOM 1358 CB THR A 295 -0.261 -6.030 3.085 1.00 0.18 C ATOM 1359 OG1 THR A 295 -0.142 -6.123 4.507 1.00 0.29 O ATOM 1360 CG2 THR A 295 -1.276 -4.949 2.735 1.00 0.20 C ATOM 0 H THR A 295 -0.206 -7.289 0.479 1.00 0.17 H new ATOM 0 HA THR A 295 -0.432 -8.145 3.292 1.00 0.15 H new ATOM 0 HB THR A 295 0.690 -5.743 2.635 1.00 0.18 H new ATOM 0 HG1 THR A 295 -0.319 -5.247 4.908 1.00 0.29 H new ATOM 0 HG21 THR A 295 -0.958 -3.999 3.164 1.00 0.20 H new ATOM 0 HG22 THR A 295 -1.346 -4.853 1.652 1.00 0.20 H new ATOM 0 HG23 THR A 295 -2.251 -5.221 3.139 1.00 0.20 H new ATOM 1368 N GLU A 296 -2.925 -8.124 2.947 1.00 0.15 N ATOM 1369 CA GLU A 296 -4.311 -8.321 2.577 1.00 0.15 C ATOM 1370 C GLU A 296 -5.106 -7.053 2.804 1.00 0.14 C ATOM 1371 O GLU A 296 -4.782 -6.249 3.678 1.00 0.19 O ATOM 1372 CB GLU A 296 -4.926 -9.492 3.324 1.00 0.18 C ATOM 1373 CG GLU A 296 -4.136 -10.765 3.151 1.00 0.22 C ATOM 1374 CD GLU A 296 -4.958 -12.001 3.445 1.00 0.34 C ATOM 1375 OE1 GLU A 296 -5.422 -12.163 4.594 1.00 0.76 O ATOM 1376 OE2 GLU A 296 -5.159 -12.814 2.517 1.00 0.96 O ATOM 0 H GLU A 296 -2.653 -8.519 3.847 1.00 0.15 H new ATOM 0 HA GLU A 296 -4.343 -8.561 1.514 1.00 0.15 H new ATOM 0 HB2 GLU A 296 -4.990 -9.249 4.385 1.00 0.18 H new ATOM 0 HB3 GLU A 296 -5.945 -9.650 2.971 1.00 0.18 H new ATOM 0 HG2 GLU A 296 -3.758 -10.818 2.130 1.00 0.22 H new ATOM 0 HG3 GLU A 296 -3.269 -10.743 3.811 1.00 0.22 H new ATOM 1383 N LEU A 297 -6.083 -6.839 1.955 1.00 0.15 N ATOM 1384 CA LEU A 297 -6.887 -5.647 2.017 1.00 0.15 C ATOM 1385 C LEU A 297 -8.311 -5.989 2.412 1.00 0.15 C ATOM 1386 O LEU A 297 -9.093 -6.480 1.598 1.00 0.23 O ATOM 1387 CB LEU A 297 -6.869 -4.923 0.673 1.00 0.22 C ATOM 1388 CG LEU A 297 -7.554 -3.564 0.689 1.00 0.21 C ATOM 1389 CD1 LEU A 297 -6.986 -2.729 1.823 1.00 0.26 C ATOM 1390 CD2 LEU A 297 -7.370 -2.860 -0.642 1.00 0.29 C ATOM 0 H LEU A 297 -6.340 -7.483 1.207 1.00 0.15 H new ATOM 0 HA LEU A 297 -6.466 -4.985 2.774 1.00 0.15 H new ATOM 0 HB2 LEU A 297 -5.834 -4.792 0.357 1.00 0.22 H new ATOM 0 HB3 LEU A 297 -7.353 -5.553 -0.073 1.00 0.22 H new ATOM 0 HG LEU A 297 -8.624 -3.701 0.849 1.00 0.21 H new ATOM 0 HD11 LEU A 297 -7.474 -1.755 1.837 1.00 0.26 H new ATOM 0 HD12 LEU A 297 -7.161 -3.237 2.772 1.00 0.26 H new ATOM 0 HD13 LEU A 297 -5.914 -2.595 1.675 1.00 0.26 H new ATOM 0 HD21 LEU A 297 -7.866 -1.890 -0.612 1.00 0.29 H new ATOM 0 HD22 LEU A 297 -6.307 -2.718 -0.834 1.00 0.29 H new ATOM 0 HD23 LEU A 297 -7.805 -3.466 -1.437 1.00 0.29 H new ATOM 1402 N PHE A 298 -8.647 -5.648 3.643 1.00 0.14 N ATOM 1403 CA PHE A 298 -9.994 -5.804 4.160 1.00 0.19 C ATOM 1404 C PHE A 298 -10.641 -4.435 4.233 1.00 0.19 C ATOM 1405 O PHE A 298 -9.952 -3.444 4.440 1.00 0.24 O ATOM 1406 CB PHE A 298 -9.984 -6.443 5.557 1.00 0.26 C ATOM 1407 CG PHE A 298 -9.518 -7.874 5.593 1.00 0.28 C ATOM 1408 CD1 PHE A 298 -8.233 -8.218 5.205 1.00 0.25 C ATOM 1409 CD2 PHE A 298 -10.373 -8.876 6.023 1.00 0.50 C ATOM 1410 CE1 PHE A 298 -7.812 -9.533 5.244 1.00 0.32 C ATOM 1411 CE2 PHE A 298 -9.957 -10.192 6.063 1.00 0.58 C ATOM 1412 CZ PHE A 298 -8.674 -10.520 5.673 1.00 0.45 C ATOM 0 H PHE A 298 -7.989 -5.253 4.315 1.00 0.14 H new ATOM 0 HA PHE A 298 -10.555 -6.461 3.496 1.00 0.19 H new ATOM 0 HB2 PHE A 298 -9.342 -5.850 6.208 1.00 0.26 H new ATOM 0 HB3 PHE A 298 -10.991 -6.393 5.971 1.00 0.26 H new ATOM 0 HD1 PHE A 298 -7.553 -7.449 4.868 1.00 0.25 H new ATOM 0 HD2 PHE A 298 -11.377 -8.625 6.331 1.00 0.50 H new ATOM 0 HE1 PHE A 298 -6.808 -9.788 4.939 1.00 0.32 H new ATOM 0 HE2 PHE A 298 -10.634 -10.963 6.399 1.00 0.58 H new ATOM 0 HZ PHE A 298 -8.346 -11.548 5.704 1.00 0.45 H new ATOM 1422 N VAL A 299 -11.940 -4.355 4.055 1.00 0.28 N ATOM 1423 CA VAL A 299 -12.601 -3.071 4.159 1.00 0.28 C ATOM 1424 C VAL A 299 -13.543 -3.024 5.357 1.00 0.32 C ATOM 1425 O VAL A 299 -14.496 -3.801 5.459 1.00 0.40 O ATOM 1426 CB VAL A 299 -13.350 -2.682 2.865 1.00 0.33 C ATOM 1427 CG1 VAL A 299 -14.298 -3.774 2.415 1.00 0.44 C ATOM 1428 CG2 VAL A 299 -14.097 -1.374 3.056 1.00 0.35 C ATOM 0 H VAL A 299 -12.550 -5.144 3.842 1.00 0.28 H new ATOM 0 HA VAL A 299 -11.813 -2.334 4.310 1.00 0.28 H new ATOM 0 HB VAL A 299 -12.605 -2.551 2.081 1.00 0.33 H new ATOM 0 HG11 VAL A 299 -14.805 -3.462 1.502 1.00 0.44 H new ATOM 0 HG12 VAL A 299 -13.736 -4.688 2.223 1.00 0.44 H new ATOM 0 HG13 VAL A 299 -15.036 -3.959 3.195 1.00 0.44 H new ATOM 0 HG21 VAL A 299 -14.619 -1.115 2.135 1.00 0.35 H new ATOM 0 HG22 VAL A 299 -14.820 -1.483 3.864 1.00 0.35 H new ATOM 0 HG23 VAL A 299 -13.389 -0.584 3.306 1.00 0.35 H new ATOM 1438 N LYS A 300 -13.330 -2.024 6.190 1.00 0.33 N ATOM 1439 CA LYS A 300 -14.211 -1.738 7.294 1.00 0.41 C ATOM 1440 C LYS A 300 -15.249 -0.744 6.812 1.00 0.40 C ATOM 1441 O LYS A 300 -14.920 0.393 6.445 1.00 0.37 O ATOM 1442 CB LYS A 300 -13.407 -1.157 8.451 1.00 0.48 C ATOM 1443 CG LYS A 300 -14.055 -1.318 9.814 1.00 1.17 C ATOM 1444 CD LYS A 300 -13.126 -0.820 10.906 1.00 1.72 C ATOM 1445 CE LYS A 300 -13.750 -0.934 12.286 1.00 2.32 C ATOM 1446 NZ LYS A 300 -12.872 -0.342 13.329 1.00 3.03 N ATOM 0 H LYS A 300 -12.537 -1.387 6.116 1.00 0.33 H new ATOM 0 HA LYS A 300 -14.702 -2.645 7.646 1.00 0.41 H new ATOM 0 HB2 LYS A 300 -12.427 -1.634 8.471 1.00 0.48 H new ATOM 0 HB3 LYS A 300 -13.242 -0.096 8.265 1.00 0.48 H new ATOM 0 HG2 LYS A 300 -14.993 -0.763 9.845 1.00 1.17 H new ATOM 0 HG3 LYS A 300 -14.299 -2.366 9.986 1.00 1.17 H new ATOM 0 HD2 LYS A 300 -12.198 -1.392 10.880 1.00 1.72 H new ATOM 0 HD3 LYS A 300 -12.865 0.220 10.712 1.00 1.72 H new ATOM 0 HE2 LYS A 300 -14.716 -0.430 12.293 1.00 2.32 H new ATOM 0 HE3 LYS A 300 -13.936 -1.983 12.517 1.00 2.32 H new ATOM 0 HZ1 LYS A 300 -13.327 -0.436 14.260 1.00 3.03 H new ATOM 0 HZ2 LYS A 300 -11.959 -0.840 13.338 1.00 3.03 H new ATOM 0 HZ3 LYS A 300 -12.715 0.665 13.120 1.00 3.03 H new ATOM 1460 N GLU A 301 -16.436 -1.241 6.581 1.00 0.50 N ATOM 1461 CA GLU A 301 -17.444 -0.463 5.924 1.00 0.57 C ATOM 1462 C GLU A 301 -18.268 0.335 6.932 1.00 0.65 C ATOM 1463 O GLU A 301 -18.144 0.068 8.144 1.00 1.41 O ATOM 1464 CB GLU A 301 -18.298 -1.383 5.079 1.00 0.83 C ATOM 1465 CG GLU A 301 -19.406 -2.047 5.828 1.00 0.66 C ATOM 1466 CD GLU A 301 -18.933 -2.971 6.936 1.00 0.90 C ATOM 1467 OE1 GLU A 301 -18.000 -3.767 6.699 1.00 1.21 O ATOM 1468 OE2 GLU A 301 -19.467 -2.885 8.059 1.00 1.44 O ATOM 1469 OXT GLU A 301 -19.008 1.245 6.515 1.00 1.20 O ATOM 0 H GLU A 301 -16.725 -2.184 6.840 1.00 0.50 H new ATOM 0 HA GLU A 301 -16.976 0.272 5.269 1.00 0.57 H new ATOM 0 HB2 GLU A 301 -18.723 -0.811 4.255 1.00 0.83 H new ATOM 0 HB3 GLU A 301 -17.661 -2.150 4.639 1.00 0.83 H new ATOM 0 HG2 GLU A 301 -20.051 -1.281 6.258 1.00 0.66 H new ATOM 0 HG3 GLU A 301 -20.014 -2.618 5.127 1.00 0.66 H new