USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 444 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 Single : A 198 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 LYS NZ :NH3+ -150:sc= 0.764 (180deg=0.207) USER MOD Single : A 221 LYS NZ :NH3+ 166:sc= 1.17 (180deg=0.88) USER MOD Single : A 224 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 231 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 232 LYS NZ :NH3+ -178:sc= -0.0166 (180deg=-0.0331) USER MOD Single : A 240 MET CE :methyl -161:sc= -0.0828 (180deg=-0.477) USER MOD Single : A 250 GLN : amide:sc= -1.59! K(o=-1.6!,f=0) USER MOD Single : A 251 ASN : amide:sc= 0.942 K(o=0.94,f=-6.7!) USER MOD Single : A 254 TYR OH : rot 180:sc= 0 USER MOD Single : A 255 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 259 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 123 N ASP A 195 -31.053 1.305 33.705 1.00 0.00 N ATOM 124 CA ASP A 195 -32.471 1.640 33.844 1.00 0.00 C ATOM 125 C ASP A 195 -32.569 3.037 34.448 1.00 0.00 C ATOM 126 O ASP A 195 -33.293 3.308 35.401 1.00 0.00 O ATOM 127 CB ASP A 195 -33.211 0.505 34.566 1.00 0.00 C ATOM 128 CG ASP A 195 -33.064 -0.810 33.777 1.00 0.00 C ATOM 129 OD1 ASP A 195 -33.402 -0.814 32.561 1.00 0.00 O ATOM 130 OD2 ASP A 195 -32.489 -1.760 34.341 1.00 0.00 O ATOM 0 HA ASP A 195 -32.994 1.705 32.890 1.00 0.00 H new ATOM 0 HB2 ASP A 195 -32.810 0.381 35.572 1.00 0.00 H new ATOM 0 HB3 ASP A 195 -34.266 0.758 34.672 1.00 0.00 H new ATOM 135 N ALA A 196 -31.754 3.923 33.868 1.00 0.00 N ATOM 136 CA ALA A 196 -31.528 5.313 34.238 1.00 0.00 C ATOM 137 C ALA A 196 -31.386 6.176 32.972 1.00 0.00 C ATOM 138 O ALA A 196 -30.651 7.165 32.988 1.00 0.00 O ATOM 139 CB ALA A 196 -30.285 5.382 35.137 1.00 0.00 C ATOM 0 H ALA A 196 -31.190 3.658 33.060 1.00 0.00 H new ATOM 0 HA ALA A 196 -32.376 5.709 34.796 1.00 0.00 H new ATOM 0 HB1 ALA A 196 -30.101 6.417 35.424 1.00 0.00 H new ATOM 0 HB2 ALA A 196 -30.449 4.781 36.031 1.00 0.00 H new ATOM 0 HB3 ALA A 196 -29.422 4.997 34.594 1.00 0.00 H new ATOM 145 N ALA A 197 -32.070 5.770 31.891 1.00 0.00 N ATOM 146 CA ALA A 197 -31.938 6.221 30.506 1.00 0.00 C ATOM 147 C ALA A 197 -30.537 5.929 29.960 1.00 0.00 C ATOM 148 O ALA A 197 -29.616 6.736 30.103 1.00 0.00 O ATOM 149 CB ALA A 197 -32.363 7.680 30.329 1.00 0.00 C ATOM 0 H ALA A 197 -32.792 5.055 31.977 1.00 0.00 H new ATOM 0 HA ALA A 197 -32.635 5.641 29.901 1.00 0.00 H new ATOM 0 HB1 ALA A 197 -32.247 7.969 29.284 1.00 0.00 H new ATOM 0 HB2 ALA A 197 -33.406 7.793 30.623 1.00 0.00 H new ATOM 0 HB3 ALA A 197 -31.739 8.319 30.953 1.00 0.00 H new ATOM 155 N LYS A 198 -30.363 4.747 29.360 1.00 0.00 N ATOM 156 CA LYS A 198 -29.055 4.211 29.005 1.00 0.00 C ATOM 157 C LYS A 198 -28.318 5.194 28.077 1.00 0.00 C ATOM 158 O LYS A 198 -28.939 5.769 27.180 1.00 0.00 O ATOM 159 CB LYS A 198 -29.185 2.794 28.412 1.00 0.00 C ATOM 160 CG LYS A 198 -29.374 2.672 26.901 1.00 0.00 C ATOM 161 CD LYS A 198 -30.425 1.608 26.612 1.00 0.00 C ATOM 162 CE LYS A 198 -30.170 0.109 26.831 1.00 0.00 C ATOM 163 NZ LYS A 198 -30.687 -0.428 28.114 1.00 0.00 N ATOM 0 H LYS A 198 -31.137 4.133 29.107 1.00 0.00 H new ATOM 0 HA LYS A 198 -28.447 4.106 29.904 1.00 0.00 H new ATOM 0 HB2 LYS A 198 -28.291 2.233 28.685 1.00 0.00 H new ATOM 0 HB3 LYS A 198 -30.029 2.304 28.896 1.00 0.00 H new ATOM 0 HG2 LYS A 198 -29.684 3.630 26.483 1.00 0.00 H new ATOM 0 HG3 LYS A 198 -28.430 2.407 26.425 1.00 0.00 H new ATOM 0 HD2 LYS A 198 -31.300 1.865 27.209 1.00 0.00 H new ATOM 0 HD3 LYS A 198 -30.707 1.726 25.566 1.00 0.00 H new ATOM 0 HE2 LYS A 198 -30.625 -0.446 26.011 1.00 0.00 H new ATOM 0 HE3 LYS A 198 -29.096 -0.074 26.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 198 -30.471 -1.443 28.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 198 -30.236 0.072 28.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 198 -31.717 -0.289 28.159 1.00 0.00 H new ATOM 177 N PRO A 199 -26.999 5.363 28.234 1.00 0.00 N ATOM 178 CA PRO A 199 -26.216 6.308 27.436 1.00 0.00 C ATOM 179 C PRO A 199 -25.909 5.814 26.002 1.00 0.00 C ATOM 180 O PRO A 199 -24.811 6.034 25.481 1.00 0.00 O ATOM 181 CB PRO A 199 -24.960 6.572 28.290 1.00 0.00 C ATOM 182 CG PRO A 199 -24.884 5.441 29.307 1.00 0.00 C ATOM 183 CD PRO A 199 -26.306 4.949 29.434 1.00 0.00 C ATOM 0 HA PRO A 199 -26.769 7.226 27.237 1.00 0.00 H new ATOM 0 HB2 PRO A 199 -24.065 6.595 27.668 1.00 0.00 H new ATOM 0 HB3 PRO A 199 -25.026 7.539 28.789 1.00 0.00 H new ATOM 0 HG2 PRO A 199 -24.218 4.647 28.968 1.00 0.00 H new ATOM 0 HG3 PRO A 199 -24.499 5.793 30.264 1.00 0.00 H new ATOM 0 HD2 PRO A 199 -26.332 3.865 29.541 1.00 0.00 H new ATOM 0 HD3 PRO A 199 -26.783 5.368 30.320 1.00 0.00 H new ATOM 191 N GLU A 200 -26.881 5.215 25.299 1.00 0.00 N ATOM 192 CA GLU A 200 -26.717 4.500 24.020 1.00 0.00 C ATOM 193 C GLU A 200 -25.567 3.472 24.042 1.00 0.00 C ATOM 194 O GLU A 200 -25.090 2.983 23.019 1.00 0.00 O ATOM 195 CB GLU A 200 -26.605 5.510 22.865 1.00 0.00 C ATOM 196 CG GLU A 200 -26.923 4.863 21.509 1.00 0.00 C ATOM 197 CD GLU A 200 -28.283 5.281 20.950 1.00 0.00 C ATOM 198 OE1 GLU A 200 -29.315 4.852 21.517 1.00 0.00 O ATOM 199 OE2 GLU A 200 -28.318 5.992 19.920 1.00 0.00 O ATOM 0 H GLU A 200 -27.849 5.214 25.620 1.00 0.00 H new ATOM 0 HA GLU A 200 -27.611 3.899 23.854 1.00 0.00 H new ATOM 0 HB2 GLU A 200 -27.289 6.340 23.041 1.00 0.00 H new ATOM 0 HB3 GLU A 200 -25.598 5.926 22.842 1.00 0.00 H new ATOM 0 HG2 GLU A 200 -26.145 5.131 20.794 1.00 0.00 H new ATOM 0 HG3 GLU A 200 -26.898 3.779 21.616 1.00 0.00 H new ATOM 206 N ASP A 201 -25.107 3.105 25.231 1.00 0.00 N ATOM 207 CA ASP A 201 -23.720 2.647 25.473 1.00 0.00 C ATOM 208 C ASP A 201 -23.586 1.119 25.340 1.00 0.00 C ATOM 209 O ASP A 201 -22.769 0.445 25.968 1.00 0.00 O ATOM 210 CB ASP A 201 -23.304 3.195 26.839 1.00 0.00 C ATOM 211 CG ASP A 201 -21.833 2.987 27.211 1.00 0.00 C ATOM 212 OD1 ASP A 201 -20.973 2.851 26.313 1.00 0.00 O ATOM 213 OD2 ASP A 201 -21.518 3.120 28.421 1.00 0.00 O ATOM 0 H ASP A 201 -25.683 3.112 26.073 1.00 0.00 H new ATOM 0 HA ASP A 201 -23.038 3.030 24.714 1.00 0.00 H new ATOM 0 HB2 ASP A 201 -23.520 4.263 26.864 1.00 0.00 H new ATOM 0 HB3 ASP A 201 -23.924 2.727 27.603 1.00 0.00 H new ATOM 218 N TRP A 202 -24.526 0.547 24.592 1.00 0.00 N ATOM 219 CA TRP A 202 -24.866 -0.867 24.531 1.00 0.00 C ATOM 220 C TRP A 202 -25.656 -1.173 23.259 1.00 0.00 C ATOM 221 O TRP A 202 -26.040 -2.324 23.069 1.00 0.00 O ATOM 222 CB TRP A 202 -25.725 -1.276 25.754 1.00 0.00 C ATOM 223 CG TRP A 202 -25.799 -0.317 26.872 1.00 0.00 C ATOM 224 CD1 TRP A 202 -26.498 0.815 26.750 1.00 0.00 C ATOM 225 CD2 TRP A 202 -25.171 -0.292 28.188 1.00 0.00 C ATOM 226 NE1 TRP A 202 -26.265 1.597 27.837 1.00 0.00 N ATOM 227 CE2 TRP A 202 -25.502 0.956 28.792 1.00 0.00 C ATOM 228 CE3 TRP A 202 -24.395 -1.194 28.942 1.00 0.00 C ATOM 229 CZ2 TRP A 202 -25.055 1.313 30.072 1.00 0.00 C ATOM 230 CZ3 TRP A 202 -23.983 -0.872 30.248 1.00 0.00 C ATOM 231 CH2 TRP A 202 -24.312 0.376 30.810 1.00 0.00 C ATOM 0 H TRP A 202 -25.111 1.103 23.968 1.00 0.00 H new ATOM 0 HA TRP A 202 -23.934 -1.432 24.532 1.00 0.00 H new ATOM 0 HB2 TRP A 202 -26.740 -1.469 25.406 1.00 0.00 H new ATOM 0 HB3 TRP A 202 -25.336 -2.218 26.141 1.00 0.00 H new ATOM 0 HD1 TRP A 202 -27.144 1.068 25.922 1.00 0.00 H new ATOM 0 HE1 TRP A 202 -26.615 2.550 27.936 1.00 0.00 H new ATOM 0 HE3 TRP A 202 -24.113 -2.144 28.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 202 -25.277 2.287 30.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 202 -23.411 -1.586 30.822 1.00 0.00 H new ATOM 0 HH2 TRP A 202 -23.992 0.615 31.813 1.00 0.00 H new ATOM 242 N ASP A 203 -25.989 -0.160 22.443 1.00 0.00 N ATOM 243 CA ASP A 203 -26.756 -0.349 21.203 1.00 0.00 C ATOM 244 C ASP A 203 -28.156 -0.874 21.554 1.00 0.00 C ATOM 245 O ASP A 203 -28.673 -1.842 21.000 1.00 0.00 O ATOM 246 CB ASP A 203 -25.975 -1.260 20.240 1.00 0.00 C ATOM 247 CG ASP A 203 -26.216 -1.008 18.753 1.00 0.00 C ATOM 248 OD1 ASP A 203 -26.667 0.107 18.385 1.00 0.00 O ATOM 249 OD2 ASP A 203 -25.852 -1.898 17.963 1.00 0.00 O ATOM 0 H ASP A 203 -25.734 0.811 22.625 1.00 0.00 H new ATOM 0 HA ASP A 203 -26.894 0.597 20.679 1.00 0.00 H new ATOM 0 HB2 ASP A 203 -24.910 -1.144 20.442 1.00 0.00 H new ATOM 0 HB3 ASP A 203 -26.231 -2.296 20.461 1.00 0.00 H new ATOM 254 N GLU A 204 -28.730 -0.301 22.619 1.00 0.00 N ATOM 255 CA GLU A 204 -29.951 -0.722 23.300 1.00 0.00 C ATOM 256 C GLU A 204 -29.901 -2.177 23.812 1.00 0.00 C ATOM 257 O GLU A 204 -30.845 -2.637 24.451 1.00 0.00 O ATOM 258 CB GLU A 204 -31.196 -0.448 22.415 1.00 0.00 C ATOM 259 CG GLU A 204 -31.825 0.944 22.609 1.00 0.00 C ATOM 260 CD GLU A 204 -32.593 1.111 23.933 1.00 0.00 C ATOM 261 OE1 GLU A 204 -32.595 0.198 24.792 1.00 0.00 O ATOM 262 OE2 GLU A 204 -33.229 2.171 24.157 1.00 0.00 O ATOM 0 H GLU A 204 -28.322 0.526 23.054 1.00 0.00 H new ATOM 0 HA GLU A 204 -30.036 -0.112 24.199 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -30.914 -0.562 21.368 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -31.950 -1.206 22.627 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -31.037 1.696 22.562 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -32.505 1.142 21.780 1.00 0.00 H new ATOM 269 N ARG A 205 -28.794 -2.909 23.627 1.00 0.00 N ATOM 270 CA ARG A 205 -28.688 -4.353 23.707 1.00 0.00 C ATOM 271 C ARG A 205 -29.895 -5.025 23.063 1.00 0.00 C ATOM 272 O ARG A 205 -30.535 -5.917 23.643 1.00 0.00 O ATOM 273 CB ARG A 205 -28.457 -4.757 25.148 1.00 0.00 C ATOM 274 CG ARG A 205 -27.136 -4.243 25.728 1.00 0.00 C ATOM 275 CD ARG A 205 -26.234 -5.313 26.327 1.00 0.00 C ATOM 276 NE ARG A 205 -26.796 -5.968 27.516 1.00 0.00 N ATOM 277 CZ ARG A 205 -26.253 -7.053 28.080 1.00 0.00 C ATOM 278 NH1 ARG A 205 -25.142 -7.588 27.590 1.00 0.00 N ATOM 279 NH2 ARG A 205 -26.814 -7.604 29.147 1.00 0.00 N ATOM 0 H ARG A 205 -27.900 -2.472 23.404 1.00 0.00 H new ATOM 0 HA ARG A 205 -27.828 -4.701 23.135 1.00 0.00 H new ATOM 0 HB2 ARG A 205 -29.280 -4.384 25.757 1.00 0.00 H new ATOM 0 HB3 ARG A 205 -28.476 -5.845 25.219 1.00 0.00 H new ATOM 0 HG2 ARG A 205 -26.588 -3.727 24.940 1.00 0.00 H new ATOM 0 HG3 ARG A 205 -27.358 -3.504 26.498 1.00 0.00 H new ATOM 0 HD2 ARG A 205 -26.032 -6.070 25.569 1.00 0.00 H new ATOM 0 HD3 ARG A 205 -25.277 -4.862 26.591 1.00 0.00 H new ATOM 0 HE ARG A 205 -27.641 -5.577 27.932 1.00 0.00 H new ATOM 0 HH11 ARG A 205 -24.692 -7.172 26.774 1.00 0.00 H new ATOM 0 HH12 ARG A 205 -24.738 -8.415 28.029 1.00 0.00 H new ATOM 0 HH21 ARG A 205 -27.664 -7.201 29.542 1.00 0.00 H new ATOM 0 HH22 ARG A 205 -26.396 -8.431 29.573 1.00 0.00 H new ATOM 293 N ALA A 206 -30.220 -4.559 21.863 1.00 0.00 N ATOM 294 CA ALA A 206 -31.406 -4.941 21.101 1.00 0.00 C ATOM 295 C ALA A 206 -31.169 -4.920 19.593 1.00 0.00 C ATOM 296 O ALA A 206 -32.115 -4.901 18.810 1.00 0.00 O ATOM 297 CB ALA A 206 -32.542 -3.981 21.472 1.00 0.00 C ATOM 0 H ALA A 206 -29.642 -3.877 21.373 1.00 0.00 H new ATOM 0 HA ALA A 206 -31.664 -5.969 21.356 1.00 0.00 H new ATOM 0 HB1 ALA A 206 -33.440 -4.247 20.914 1.00 0.00 H new ATOM 0 HB2 ALA A 206 -32.744 -4.052 22.541 1.00 0.00 H new ATOM 0 HB3 ALA A 206 -32.251 -2.960 21.225 1.00 0.00 H new ATOM 408 N SER A 214 -25.201 2.185 9.211 1.00 0.00 N ATOM 409 CA SER A 214 -24.627 3.317 8.509 1.00 0.00 C ATOM 410 C SER A 214 -23.159 3.445 8.923 1.00 0.00 C ATOM 411 O SER A 214 -22.817 4.304 9.739 1.00 0.00 O ATOM 412 CB SER A 214 -25.439 4.583 8.832 1.00 0.00 C ATOM 413 OG SER A 214 -25.164 5.666 7.957 1.00 0.00 O ATOM 0 HA SER A 214 -24.667 3.176 7.429 1.00 0.00 H new ATOM 0 HB2 SER A 214 -26.502 4.347 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 214 -25.228 4.890 9.856 1.00 0.00 H new ATOM 0 HG SER A 214 -25.710 6.439 8.211 1.00 0.00 H new ATOM 419 N LYS A 215 -22.306 2.653 8.273 1.00 0.00 N ATOM 420 CA LYS A 215 -20.851 2.769 8.238 1.00 0.00 C ATOM 421 C LYS A 215 -20.140 2.227 9.492 1.00 0.00 C ATOM 422 O LYS A 215 -19.925 2.962 10.460 1.00 0.00 O ATOM 423 CB LYS A 215 -20.395 4.181 7.843 1.00 0.00 C ATOM 424 CG LYS A 215 -20.035 4.191 6.358 1.00 0.00 C ATOM 425 CD LYS A 215 -19.443 5.546 5.993 1.00 0.00 C ATOM 426 CE LYS A 215 -18.744 5.494 4.632 1.00 0.00 C ATOM 427 NZ LYS A 215 -18.021 6.751 4.376 1.00 0.00 N ATOM 0 H LYS A 215 -22.637 1.862 7.721 1.00 0.00 H new ATOM 0 HA LYS A 215 -20.525 2.100 7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -21.187 4.902 8.043 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -19.534 4.480 8.441 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -19.320 3.398 6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -20.922 3.995 5.756 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -20.233 6.297 5.971 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -18.731 5.854 6.759 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -18.048 4.655 4.606 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -19.479 5.323 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -17.993 6.933 3.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -18.509 7.536 4.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -17.050 6.674 4.741 1.00 0.00 H new ATOM 441 N PRO A 216 -19.719 0.951 9.464 1.00 0.00 N ATOM 442 CA PRO A 216 -18.910 0.375 10.524 1.00 0.00 C ATOM 443 C PRO A 216 -17.490 0.931 10.449 1.00 0.00 C ATOM 444 O PRO A 216 -17.048 1.394 9.392 1.00 0.00 O ATOM 445 CB PRO A 216 -18.929 -1.133 10.266 1.00 0.00 C ATOM 446 CG PRO A 216 -19.061 -1.235 8.748 1.00 0.00 C ATOM 447 CD PRO A 216 -19.861 0.008 8.365 1.00 0.00 C ATOM 0 HA PRO A 216 -19.289 0.611 11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 216 -18.017 -1.612 10.622 1.00 0.00 H new ATOM 0 HB3 PRO A 216 -19.763 -1.616 10.775 1.00 0.00 H new ATOM 0 HG2 PRO A 216 -18.085 -1.248 8.262 1.00 0.00 H new ATOM 0 HG3 PRO A 216 -19.576 -2.149 8.452 1.00 0.00 H new ATOM 0 HD2 PRO A 216 -19.487 0.438 7.436 1.00 0.00 H new ATOM 0 HD3 PRO A 216 -20.909 -0.241 8.202 1.00 0.00 H new ATOM 455 N GLU A 217 -16.705 0.756 11.517 1.00 0.00 N ATOM 456 CA GLU A 217 -15.348 1.315 11.611 1.00 0.00 C ATOM 457 C GLU A 217 -14.358 0.724 10.599 1.00 0.00 C ATOM 458 O GLU A 217 -13.248 1.222 10.423 1.00 0.00 O ATOM 459 CB GLU A 217 -14.791 1.027 13.023 1.00 0.00 C ATOM 460 CG GLU A 217 -14.242 2.277 13.704 1.00 0.00 C ATOM 461 CD GLU A 217 -15.336 2.971 14.505 1.00 0.00 C ATOM 462 OE1 GLU A 217 -16.339 3.412 13.890 1.00 0.00 O ATOM 463 OE2 GLU A 217 -15.166 3.106 15.733 1.00 0.00 O ATOM 0 H GLU A 217 -16.989 0.225 12.340 1.00 0.00 H new ATOM 0 HA GLU A 217 -15.441 2.380 11.398 1.00 0.00 H new ATOM 0 HB2 GLU A 217 -15.581 0.599 13.640 1.00 0.00 H new ATOM 0 HB3 GLU A 217 -14.001 0.280 12.952 1.00 0.00 H new ATOM 0 HG2 GLU A 217 -13.416 2.007 14.363 1.00 0.00 H new ATOM 0 HG3 GLU A 217 -13.842 2.961 12.955 1.00 0.00 H new ATOM 470 N ASP A 218 -14.795 -0.293 9.874 1.00 0.00 N ATOM 471 CA ASP A 218 -13.987 -1.095 8.972 1.00 0.00 C ATOM 472 C ASP A 218 -14.303 -0.742 7.519 1.00 0.00 C ATOM 473 O ASP A 218 -13.688 -1.300 6.605 1.00 0.00 O ATOM 474 CB ASP A 218 -14.232 -2.588 9.261 1.00 0.00 C ATOM 475 CG ASP A 218 -13.254 -3.166 10.287 1.00 0.00 C ATOM 476 OD1 ASP A 218 -13.211 -2.690 11.437 1.00 0.00 O ATOM 477 OD2 ASP A 218 -12.552 -4.149 9.936 1.00 0.00 O ATOM 0 H ASP A 218 -15.769 -0.595 9.900 1.00 0.00 H new ATOM 0 HA ASP A 218 -12.931 -0.882 9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 218 -15.251 -2.720 9.624 1.00 0.00 H new ATOM 0 HB3 ASP A 218 -14.150 -3.151 8.331 1.00 0.00 H new ATOM 482 N TRP A 219 -15.272 0.143 7.258 1.00 0.00 N ATOM 483 CA TRP A 219 -15.588 0.546 5.894 1.00 0.00 C ATOM 484 C TRP A 219 -14.640 1.649 5.429 1.00 0.00 C ATOM 485 O TRP A 219 -14.098 1.544 4.325 1.00 0.00 O ATOM 486 CB TRP A 219 -17.064 0.922 5.765 1.00 0.00 C ATOM 487 CG TRP A 219 -17.537 1.036 4.353 1.00 0.00 C ATOM 488 CD1 TRP A 219 -17.335 2.092 3.536 1.00 0.00 C ATOM 489 CD2 TRP A 219 -18.237 0.039 3.555 1.00 0.00 C ATOM 490 NE1 TRP A 219 -17.854 1.818 2.290 1.00 0.00 N ATOM 491 CE2 TRP A 219 -18.411 0.560 2.241 1.00 0.00 C ATOM 492 CE3 TRP A 219 -18.716 -1.265 3.794 1.00 0.00 C ATOM 493 CZ2 TRP A 219 -19.031 -0.173 1.222 1.00 0.00 C ATOM 494 CZ3 TRP A 219 -19.350 -2.009 2.783 1.00 0.00 C ATOM 495 CH2 TRP A 219 -19.507 -1.466 1.497 1.00 0.00 C ATOM 0 H TRP A 219 -15.846 0.589 7.974 1.00 0.00 H new ATOM 0 HA TRP A 219 -15.432 -0.300 5.225 1.00 0.00 H new ATOM 0 HB2 TRP A 219 -17.666 0.174 6.280 1.00 0.00 H new ATOM 0 HB3 TRP A 219 -17.233 1.872 6.272 1.00 0.00 H new ATOM 0 HD1 TRP A 219 -16.842 3.011 3.817 1.00 0.00 H new ATOM 0 HE1 TRP A 219 -17.829 2.466 1.502 1.00 0.00 H new ATOM 0 HE3 TRP A 219 -18.594 -1.702 4.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 219 -19.142 0.251 0.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 219 -19.718 -3.002 2.996 1.00 0.00 H new ATOM 0 HH2 TRP A 219 -19.992 -2.041 0.722 1.00 0.00 H new ATOM 506 N ASP A 220 -14.410 2.675 6.252 1.00 0.00 N ATOM 507 CA ASP A 220 -13.568 3.832 5.935 1.00 0.00 C ATOM 508 C ASP A 220 -12.101 3.420 5.927 1.00 0.00 C ATOM 509 O ASP A 220 -11.387 3.516 6.927 1.00 0.00 O ATOM 510 CB ASP A 220 -13.830 5.032 6.866 1.00 0.00 C ATOM 511 CG ASP A 220 -14.969 5.936 6.390 1.00 0.00 C ATOM 512 OD1 ASP A 220 -15.846 5.468 5.619 1.00 0.00 O ATOM 513 OD2 ASP A 220 -15.035 7.101 6.821 1.00 0.00 O ATOM 0 H ASP A 220 -14.817 2.725 7.186 1.00 0.00 H new ATOM 0 HA ASP A 220 -13.835 4.177 4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 220 -14.063 4.663 7.865 1.00 0.00 H new ATOM 0 HB3 ASP A 220 -12.918 5.623 6.949 1.00 0.00 H new ATOM 518 N LYS A 221 -11.655 2.919 4.777 1.00 0.00 N ATOM 519 CA LYS A 221 -10.263 2.594 4.517 1.00 0.00 C ATOM 520 C LYS A 221 -9.517 3.861 4.116 1.00 0.00 C ATOM 521 O LYS A 221 -10.106 4.739 3.484 1.00 0.00 O ATOM 522 CB LYS A 221 -10.174 1.525 3.410 1.00 0.00 C ATOM 523 CG LYS A 221 -9.867 0.104 3.912 1.00 0.00 C ATOM 524 CD LYS A 221 -10.516 -0.254 5.258 1.00 0.00 C ATOM 525 CE LYS A 221 -10.756 -1.756 5.410 1.00 0.00 C ATOM 526 NZ LYS A 221 -11.949 -2.199 4.672 1.00 0.00 N ATOM 0 H LYS A 221 -12.269 2.725 3.986 1.00 0.00 H new ATOM 0 HA LYS A 221 -9.802 2.188 5.417 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -11.117 1.507 2.864 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -9.401 1.820 2.700 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -10.201 -0.612 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -8.787 -0.009 4.003 1.00 0.00 H new ATOM 0 HD2 LYS A 221 -9.877 0.093 6.070 1.00 0.00 H new ATOM 0 HD3 LYS A 221 -11.465 0.274 5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -9.883 -2.301 5.050 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -10.871 -2.000 6.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -11.947 -3.237 4.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -12.804 -1.888 5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -11.940 -1.786 3.718 1.00 0.00 H new ATOM 540 N PRO A 222 -8.218 3.946 4.431 1.00 0.00 N ATOM 541 CA PRO A 222 -7.370 5.005 3.919 1.00 0.00 C ATOM 542 C PRO A 222 -7.196 4.831 2.408 1.00 0.00 C ATOM 543 O PRO A 222 -7.053 3.708 1.909 1.00 0.00 O ATOM 544 CB PRO A 222 -6.048 4.873 4.682 1.00 0.00 C ATOM 545 CG PRO A 222 -6.015 3.421 5.166 1.00 0.00 C ATOM 546 CD PRO A 222 -7.477 2.997 5.243 1.00 0.00 C ATOM 0 HA PRO A 222 -7.789 6.001 4.064 1.00 0.00 H new ATOM 0 HB2 PRO A 222 -5.197 5.094 4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 222 -6.004 5.570 5.519 1.00 0.00 H new ATOM 0 HG2 PRO A 222 -5.456 2.788 4.477 1.00 0.00 H new ATOM 0 HG3 PRO A 222 -5.529 3.340 6.138 1.00 0.00 H new ATOM 0 HD2 PRO A 222 -7.608 1.981 4.871 1.00 0.00 H new ATOM 0 HD3 PRO A 222 -7.831 3.007 6.274 1.00 0.00 H new ATOM 554 N GLU A 223 -7.182 5.951 1.688 1.00 0.00 N ATOM 555 CA GLU A 223 -6.854 6.034 0.281 1.00 0.00 C ATOM 556 C GLU A 223 -5.399 5.626 0.076 1.00 0.00 C ATOM 557 O GLU A 223 -5.136 4.728 -0.706 1.00 0.00 O ATOM 558 CB GLU A 223 -7.051 7.460 -0.256 1.00 0.00 C ATOM 559 CG GLU A 223 -8.463 8.038 -0.164 1.00 0.00 C ATOM 560 CD GLU A 223 -8.770 8.786 1.136 1.00 0.00 C ATOM 561 OE1 GLU A 223 -8.373 8.360 2.235 1.00 0.00 O ATOM 562 OE2 GLU A 223 -9.377 9.885 1.048 1.00 0.00 O ATOM 0 H GLU A 223 -7.410 6.859 2.093 1.00 0.00 H new ATOM 0 HA GLU A 223 -7.520 5.363 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 223 -6.376 8.124 0.284 1.00 0.00 H new ATOM 0 HB3 GLU A 223 -6.744 7.475 -1.302 1.00 0.00 H new ATOM 0 HG2 GLU A 223 -8.617 8.718 -1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 223 -9.181 7.225 -0.277 1.00 0.00 H new ATOM 569 N HIS A 224 -4.448 6.288 0.727 1.00 0.00 N ATOM 570 CA HIS A 224 -3.019 6.095 0.516 1.00 0.00 C ATOM 571 C HIS A 224 -2.518 5.083 1.532 1.00 0.00 C ATOM 572 O HIS A 224 -2.511 5.371 2.732 1.00 0.00 O ATOM 573 CB HIS A 224 -2.263 7.425 0.632 1.00 0.00 C ATOM 574 CG HIS A 224 -2.855 8.499 -0.231 1.00 0.00 C ATOM 575 ND1 HIS A 224 -3.886 9.341 0.118 1.00 0.00 N ATOM 576 CD2 HIS A 224 -2.528 8.736 -1.532 1.00 0.00 C ATOM 577 CE1 HIS A 224 -4.196 10.065 -0.968 1.00 0.00 C ATOM 578 NE2 HIS A 224 -3.375 9.756 -1.989 1.00 0.00 N ATOM 0 H HIS A 224 -4.656 6.992 1.435 1.00 0.00 H new ATOM 0 HA HIS A 224 -2.840 5.718 -0.491 1.00 0.00 H new ATOM 0 HB2 HIS A 224 -2.270 7.754 1.671 1.00 0.00 H new ATOM 0 HB3 HIS A 224 -1.221 7.272 0.353 1.00 0.00 H new ATOM 0 HD2 HIS A 224 -1.762 8.233 -2.103 1.00 0.00 H new ATOM 0 HE1 HIS A 224 -4.992 10.793 -1.016 1.00 0.00 H new ATOM 0 HE2 HIS A 224 -3.370 10.182 -2.916 1.00 0.00 H new ATOM 586 N ILE A 225 -2.080 3.917 1.059 1.00 0.00 N ATOM 587 CA ILE A 225 -1.551 2.836 1.882 1.00 0.00 C ATOM 588 C ILE A 225 -0.135 2.472 1.413 1.00 0.00 C ATOM 589 O ILE A 225 0.188 2.695 0.244 1.00 0.00 O ATOM 590 CB ILE A 225 -2.526 1.644 1.848 1.00 0.00 C ATOM 591 CG1 ILE A 225 -2.666 1.017 0.441 1.00 0.00 C ATOM 592 CG2 ILE A 225 -3.895 2.108 2.376 1.00 0.00 C ATOM 593 CD1 ILE A 225 -3.492 -0.271 0.457 1.00 0.00 C ATOM 0 H ILE A 225 -2.085 3.694 0.064 1.00 0.00 H new ATOM 0 HA ILE A 225 -1.465 3.150 2.922 1.00 0.00 H new ATOM 0 HB ILE A 225 -2.119 0.859 2.486 1.00 0.00 H new ATOM 0 HG12 ILE A 225 -3.134 1.737 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 225 -1.675 0.805 0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 225 -4.595 1.272 2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 225 -3.787 2.468 3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 225 -4.274 2.913 1.746 1.00 0.00 H new ATOM 0 HD11 ILE A 225 -3.561 -0.672 -0.554 1.00 0.00 H new ATOM 0 HD12 ILE A 225 -3.011 -1.003 1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 225 -4.493 -0.057 0.831 1.00 0.00 H new ATOM 605 N PRO A 226 0.730 1.937 2.291 1.00 0.00 N ATOM 606 CA PRO A 226 2.092 1.606 1.906 1.00 0.00 C ATOM 607 C PRO A 226 2.040 0.425 0.937 1.00 0.00 C ATOM 608 O PRO A 226 1.259 -0.506 1.158 1.00 0.00 O ATOM 609 CB PRO A 226 2.820 1.288 3.215 1.00 0.00 C ATOM 610 CG PRO A 226 1.713 0.805 4.154 1.00 0.00 C ATOM 611 CD PRO A 226 0.455 1.523 3.660 1.00 0.00 C ATOM 0 HA PRO A 226 2.620 2.407 1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 226 3.582 0.522 3.071 1.00 0.00 H new ATOM 0 HB3 PRO A 226 3.324 2.168 3.614 1.00 0.00 H new ATOM 0 HG2 PRO A 226 1.597 -0.278 4.107 1.00 0.00 H new ATOM 0 HG3 PRO A 226 1.933 1.058 5.191 1.00 0.00 H new ATOM 0 HD2 PRO A 226 -0.411 0.862 3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 226 0.227 2.384 4.288 1.00 0.00 H new ATOM 619 N ASP A 227 2.860 0.465 -0.117 1.00 0.00 N ATOM 620 CA ASP A 227 2.937 -0.538 -1.172 1.00 0.00 C ATOM 621 C ASP A 227 3.178 -1.914 -0.546 1.00 0.00 C ATOM 622 O ASP A 227 4.279 -2.142 -0.032 1.00 0.00 O ATOM 623 CB ASP A 227 4.061 -0.173 -2.153 1.00 0.00 C ATOM 624 CG ASP A 227 4.224 -1.174 -3.300 1.00 0.00 C ATOM 625 OD1 ASP A 227 3.530 -2.209 -3.356 1.00 0.00 O ATOM 626 OD2 ASP A 227 5.054 -0.921 -4.205 1.00 0.00 O ATOM 0 H ASP A 227 3.516 1.233 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 227 1.999 -0.568 -1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 227 3.862 0.814 -2.569 1.00 0.00 H new ATOM 0 HB3 ASP A 227 5.001 -0.104 -1.606 1.00 0.00 H new ATOM 631 N PRO A 228 2.181 -2.816 -0.525 1.00 0.00 N ATOM 632 CA PRO A 228 2.314 -4.121 0.097 1.00 0.00 C ATOM 633 C PRO A 228 3.101 -5.082 -0.798 1.00 0.00 C ATOM 634 O PRO A 228 3.533 -6.139 -0.336 1.00 0.00 O ATOM 635 CB PRO A 228 0.876 -4.601 0.290 1.00 0.00 C ATOM 636 CG PRO A 228 0.174 -4.043 -0.943 1.00 0.00 C ATOM 637 CD PRO A 228 0.860 -2.689 -1.127 1.00 0.00 C ATOM 0 HA PRO A 228 2.864 -4.076 1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 228 0.814 -5.688 0.335 1.00 0.00 H new ATOM 0 HB3 PRO A 228 0.441 -4.218 1.213 1.00 0.00 H new ATOM 0 HG2 PRO A 228 0.307 -4.687 -1.812 1.00 0.00 H new ATOM 0 HG3 PRO A 228 -0.899 -3.937 -0.786 1.00 0.00 H new ATOM 0 HD2 PRO A 228 0.937 -2.432 -2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 228 0.288 -1.895 -0.647 1.00 0.00 H new ATOM 645 N ASP A 229 3.256 -4.759 -2.083 1.00 0.00 N ATOM 646 CA ASP A 229 3.843 -5.636 -3.083 1.00 0.00 C ATOM 647 C ASP A 229 5.357 -5.429 -3.146 1.00 0.00 C ATOM 648 O ASP A 229 6.105 -6.382 -3.385 1.00 0.00 O ATOM 649 CB ASP A 229 3.179 -5.340 -4.427 1.00 0.00 C ATOM 650 CG ASP A 229 3.629 -6.282 -5.536 1.00 0.00 C ATOM 651 OD1 ASP A 229 3.382 -7.503 -5.405 1.00 0.00 O ATOM 652 OD2 ASP A 229 4.045 -5.766 -6.598 1.00 0.00 O ATOM 0 H ASP A 229 2.968 -3.856 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 229 3.673 -6.681 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 229 2.097 -5.411 -4.315 1.00 0.00 H new ATOM 0 HB3 ASP A 229 3.402 -4.313 -4.718 1.00 0.00 H new ATOM 657 N ALA A 230 5.829 -4.209 -2.862 1.00 0.00 N ATOM 658 CA ALA A 230 7.231 -3.946 -2.584 1.00 0.00 C ATOM 659 C ALA A 230 7.574 -4.466 -1.183 1.00 0.00 C ATOM 660 O ALA A 230 6.746 -4.408 -0.273 1.00 0.00 O ATOM 661 CB ALA A 230 7.491 -2.445 -2.697 1.00 0.00 C ATOM 0 H ALA A 230 5.239 -3.378 -2.820 1.00 0.00 H new ATOM 0 HA ALA A 230 7.866 -4.460 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 230 8.541 -2.241 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 230 7.248 -2.109 -3.705 1.00 0.00 H new ATOM 0 HB3 ALA A 230 6.869 -1.913 -1.977 1.00 0.00 H new ATOM 667 N LYS A 231 8.806 -4.937 -0.969 1.00 0.00 N ATOM 668 CA LYS A 231 9.256 -5.432 0.343 1.00 0.00 C ATOM 669 C LYS A 231 10.758 -5.360 0.551 1.00 0.00 C ATOM 670 O LYS A 231 11.299 -6.182 1.284 1.00 0.00 O ATOM 671 CB LYS A 231 8.698 -6.856 0.575 1.00 0.00 C ATOM 672 CG LYS A 231 9.259 -7.953 -0.344 1.00 0.00 C ATOM 673 CD LYS A 231 10.429 -8.726 0.281 1.00 0.00 C ATOM 674 CE LYS A 231 10.241 -10.206 -0.001 1.00 0.00 C ATOM 675 NZ LYS A 231 11.151 -11.030 0.817 1.00 0.00 N ATOM 0 H LYS A 231 9.520 -4.987 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 231 8.851 -4.759 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 231 8.895 -7.139 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 231 7.615 -6.826 0.454 1.00 0.00 H new ATOM 0 HG2 LYS A 231 8.461 -8.653 -0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 231 9.589 -7.501 -1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 231 11.375 -8.380 -0.134 1.00 0.00 H new ATOM 0 HD3 LYS A 231 10.468 -8.548 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 231 9.208 -10.489 0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 231 10.421 -10.402 -1.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 10.998 -12.036 0.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 12.136 -10.776 0.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 10.961 -10.860 1.825 1.00 0.00 H new ATOM 689 N LYS A 232 11.399 -4.338 -0.016 1.00 0.00 N ATOM 690 CA LYS A 232 12.820 -4.176 -0.233 1.00 0.00 C ATOM 691 C LYS A 232 13.273 -5.084 -1.381 1.00 0.00 C ATOM 692 O LYS A 232 13.112 -6.304 -1.274 1.00 0.00 O ATOM 693 CB LYS A 232 13.633 -4.382 1.045 1.00 0.00 C ATOM 694 CG LYS A 232 15.135 -4.337 0.777 1.00 0.00 C ATOM 695 CD LYS A 232 15.914 -3.773 1.968 1.00 0.00 C ATOM 696 CE LYS A 232 17.019 -4.700 2.447 1.00 0.00 C ATOM 697 NZ LYS A 232 18.063 -4.987 1.432 1.00 0.00 N ATOM 0 H LYS A 232 10.880 -3.532 -0.364 1.00 0.00 H new ATOM 0 HA LYS A 232 13.011 -3.143 -0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 232 13.370 -3.612 1.770 1.00 0.00 H new ATOM 0 HB3 LYS A 232 13.372 -5.342 1.490 1.00 0.00 H new ATOM 0 HG2 LYS A 232 15.493 -5.342 0.553 1.00 0.00 H new ATOM 0 HG3 LYS A 232 15.328 -3.725 -0.104 1.00 0.00 H new ATOM 0 HD2 LYS A 232 16.348 -2.813 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 232 15.224 -3.584 2.790 1.00 0.00 H new ATOM 0 HE2 LYS A 232 17.493 -4.257 3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 232 16.573 -5.641 2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 232 18.758 -5.652 1.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 232 17.622 -5.408 0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 232 18.542 -4.103 1.167 1.00 0.00 H new ATOM 711 N PRO A 233 13.840 -4.515 -2.460 1.00 0.00 N ATOM 712 CA PRO A 233 14.536 -5.279 -3.471 1.00 0.00 C ATOM 713 C PRO A 233 15.626 -6.136 -2.830 1.00 0.00 C ATOM 714 O PRO A 233 16.269 -5.730 -1.858 1.00 0.00 O ATOM 715 CB PRO A 233 15.102 -4.268 -4.480 1.00 0.00 C ATOM 716 CG PRO A 233 14.824 -2.875 -3.921 1.00 0.00 C ATOM 717 CD PRO A 233 13.981 -3.094 -2.686 1.00 0.00 C ATOM 0 HA PRO A 233 13.870 -5.973 -3.984 1.00 0.00 H new ATOM 0 HB2 PRO A 233 16.172 -4.421 -4.620 1.00 0.00 H new ATOM 0 HB3 PRO A 233 14.632 -4.393 -5.456 1.00 0.00 H new ATOM 0 HG2 PRO A 233 15.752 -2.359 -3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 233 14.299 -2.258 -4.650 1.00 0.00 H new ATOM 0 HD2 PRO A 233 14.447 -2.620 -1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 233 13.001 -2.633 -2.812 1.00 0.00 H new ATOM 725 N GLU A 234 15.902 -7.288 -3.443 1.00 0.00 N ATOM 726 CA GLU A 234 17.109 -8.070 -3.181 1.00 0.00 C ATOM 727 C GLU A 234 18.352 -7.186 -3.410 1.00 0.00 C ATOM 728 O GLU A 234 19.408 -7.400 -2.824 1.00 0.00 O ATOM 729 CB GLU A 234 17.107 -9.277 -4.147 1.00 0.00 C ATOM 730 CG GLU A 234 17.809 -10.529 -3.601 1.00 0.00 C ATOM 731 CD GLU A 234 16.882 -11.376 -2.721 1.00 0.00 C ATOM 732 OE1 GLU A 234 16.269 -10.836 -1.768 1.00 0.00 O ATOM 733 OE2 GLU A 234 16.722 -12.593 -2.967 1.00 0.00 O ATOM 0 H GLU A 234 15.288 -7.707 -4.141 1.00 0.00 H new ATOM 0 HA GLU A 234 17.132 -8.424 -2.150 1.00 0.00 H new ATOM 0 HB2 GLU A 234 16.075 -9.531 -4.389 1.00 0.00 H new ATOM 0 HB3 GLU A 234 17.590 -8.982 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 234 18.169 -11.134 -4.433 1.00 0.00 H new ATOM 0 HG3 GLU A 234 18.683 -10.230 -3.022 1.00 0.00 H new ATOM 740 N ASP A 235 18.179 -6.174 -4.261 1.00 0.00 N ATOM 741 CA ASP A 235 19.138 -5.279 -4.879 1.00 0.00 C ATOM 742 C ASP A 235 19.345 -3.985 -4.068 1.00 0.00 C ATOM 743 O ASP A 235 20.088 -3.120 -4.525 1.00 0.00 O ATOM 744 CB ASP A 235 18.620 -4.898 -6.296 1.00 0.00 C ATOM 745 CG ASP A 235 17.758 -5.949 -7.022 1.00 0.00 C ATOM 746 OD1 ASP A 235 16.595 -6.152 -6.578 1.00 0.00 O ATOM 747 OD2 ASP A 235 18.217 -6.527 -8.029 1.00 0.00 O ATOM 0 H ASP A 235 17.235 -5.939 -4.568 1.00 0.00 H new ATOM 0 HA ASP A 235 20.095 -5.799 -4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 235 18.038 -3.980 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 235 19.482 -4.672 -6.924 1.00 0.00 H new ATOM 752 N TRP A 236 18.647 -3.775 -2.937 1.00 0.00 N ATOM 753 CA TRP A 236 18.742 -2.502 -2.207 1.00 0.00 C ATOM 754 C TRP A 236 20.006 -2.454 -1.349 1.00 0.00 C ATOM 755 O TRP A 236 20.323 -3.441 -0.681 1.00 0.00 O ATOM 756 CB TRP A 236 17.575 -2.293 -1.244 1.00 0.00 C ATOM 757 CG TRP A 236 17.525 -0.941 -0.580 1.00 0.00 C ATOM 758 CD1 TRP A 236 17.837 -0.661 0.706 1.00 0.00 C ATOM 759 CD2 TRP A 236 17.117 0.330 -1.158 1.00 0.00 C ATOM 760 NE1 TRP A 236 17.651 0.688 0.962 1.00 0.00 N ATOM 761 CE2 TRP A 236 17.275 1.353 -0.181 1.00 0.00 C ATOM 762 CE3 TRP A 236 16.643 0.713 -2.424 1.00 0.00 C ATOM 763 CZ2 TRP A 236 17.076 2.704 -0.483 1.00 0.00 C ATOM 764 CZ3 TRP A 236 16.383 2.062 -2.726 1.00 0.00 C ATOM 765 CH2 TRP A 236 16.628 3.061 -1.765 1.00 0.00 C ATOM 0 H TRP A 236 18.020 -4.460 -2.515 1.00 0.00 H new ATOM 0 HA TRP A 236 18.744 -1.730 -2.977 1.00 0.00 H new ATOM 0 HB2 TRP A 236 16.643 -2.447 -1.789 1.00 0.00 H new ATOM 0 HB3 TRP A 236 17.622 -3.059 -0.470 1.00 0.00 H new ATOM 0 HD1 TRP A 236 18.182 -1.385 1.429 1.00 0.00 H new ATOM 0 HE1 TRP A 236 17.776 1.128 1.874 1.00 0.00 H new ATOM 0 HE3 TRP A 236 16.475 -0.041 -3.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 236 17.265 3.464 0.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 236 15.995 2.332 -3.697 1.00 0.00 H new ATOM 0 HH2 TRP A 236 16.472 4.100 -2.013 1.00 0.00 H new ATOM 776 N ASP A 237 20.591 -1.266 -1.207 1.00 0.00 N ATOM 777 CA ASP A 237 21.758 -0.992 -0.379 1.00 0.00 C ATOM 778 C ASP A 237 21.432 0.101 0.630 1.00 0.00 C ATOM 779 O ASP A 237 21.290 1.285 0.294 1.00 0.00 O ATOM 780 CB ASP A 237 22.930 -0.607 -1.289 1.00 0.00 C ATOM 781 CG ASP A 237 24.264 -0.481 -0.541 1.00 0.00 C ATOM 782 OD1 ASP A 237 24.235 -0.333 0.702 1.00 0.00 O ATOM 783 OD2 ASP A 237 25.314 -0.529 -1.222 1.00 0.00 O ATOM 0 H ASP A 237 20.248 -0.434 -1.688 1.00 0.00 H new ATOM 0 HA ASP A 237 22.042 -1.878 0.188 1.00 0.00 H new ATOM 0 HB2 ASP A 237 23.032 -1.355 -2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 237 22.705 0.341 -1.778 1.00 0.00 H new ATOM 788 N GLU A 238 21.286 -0.324 1.885 1.00 0.00 N ATOM 789 CA GLU A 238 20.969 0.547 3.003 1.00 0.00 C ATOM 790 C GLU A 238 22.141 1.407 3.468 1.00 0.00 C ATOM 791 O GLU A 238 21.993 2.193 4.406 1.00 0.00 O ATOM 792 CB GLU A 238 20.391 -0.262 4.174 1.00 0.00 C ATOM 793 CG GLU A 238 19.038 -0.889 3.834 1.00 0.00 C ATOM 794 CD GLU A 238 18.226 -1.437 5.008 1.00 0.00 C ATOM 795 OE1 GLU A 238 18.043 -0.740 6.038 1.00 0.00 O ATOM 796 OE2 GLU A 238 17.633 -2.523 4.837 1.00 0.00 O ATOM 0 H GLU A 238 21.388 -1.303 2.152 1.00 0.00 H new ATOM 0 HA GLU A 238 20.215 1.243 2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 238 21.094 -1.048 4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 238 20.280 0.388 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 238 18.434 -0.140 3.321 1.00 0.00 H new ATOM 0 HG3 GLU A 238 19.206 -1.701 3.127 1.00 0.00 H new ATOM 803 N GLU A 239 23.293 1.288 2.823 1.00 0.00 N ATOM 804 CA GLU A 239 24.490 2.062 3.126 1.00 0.00 C ATOM 805 C GLU A 239 24.938 2.851 1.889 1.00 0.00 C ATOM 806 O GLU A 239 25.932 3.576 1.955 1.00 0.00 O ATOM 807 CB GLU A 239 25.553 1.152 3.780 1.00 0.00 C ATOM 808 CG GLU A 239 24.956 0.541 5.066 1.00 0.00 C ATOM 809 CD GLU A 239 25.940 -0.190 5.979 1.00 0.00 C ATOM 810 OE1 GLU A 239 26.434 -1.279 5.616 1.00 0.00 O ATOM 811 OE2 GLU A 239 26.020 0.202 7.172 1.00 0.00 O ATOM 0 H GLU A 239 23.425 0.632 2.053 1.00 0.00 H new ATOM 0 HA GLU A 239 24.289 2.829 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 239 25.852 0.363 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 239 26.449 1.726 4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 239 24.484 1.339 5.639 1.00 0.00 H new ATOM 0 HG3 GLU A 239 24.168 -0.156 4.782 1.00 0.00 H new ATOM 818 N MET A 240 24.153 2.797 0.803 1.00 0.00 N ATOM 819 CA MET A 240 24.339 3.627 -0.380 1.00 0.00 C ATOM 820 C MET A 240 23.460 4.869 -0.304 1.00 0.00 C ATOM 821 O MET A 240 23.947 5.979 -0.513 1.00 0.00 O ATOM 822 CB MET A 240 24.051 2.803 -1.638 1.00 0.00 C ATOM 823 CG MET A 240 24.331 3.630 -2.899 1.00 0.00 C ATOM 824 SD MET A 240 24.413 2.722 -4.472 1.00 0.00 S ATOM 825 CE MET A 240 25.837 1.645 -4.144 1.00 0.00 C ATOM 0 H MET A 240 23.359 2.161 0.728 1.00 0.00 H new ATOM 0 HA MET A 240 25.374 3.966 -0.427 1.00 0.00 H new ATOM 0 HB2 MET A 240 24.669 1.905 -1.641 1.00 0.00 H new ATOM 0 HB3 MET A 240 23.012 2.475 -1.635 1.00 0.00 H new ATOM 0 HG2 MET A 240 23.555 4.391 -2.986 1.00 0.00 H new ATOM 0 HG3 MET A 240 25.277 4.154 -2.759 1.00 0.00 H new ATOM 0 HE1 MET A 240 26.236 1.272 -5.087 1.00 0.00 H new ATOM 0 HE2 MET A 240 26.608 2.211 -3.622 1.00 0.00 H new ATOM 0 HE3 MET A 240 25.522 0.804 -3.526 1.00 0.00 H new ATOM 835 N ASP A 241 22.171 4.676 -0.014 1.00 0.00 N ATOM 836 CA ASP A 241 21.195 5.761 0.120 1.00 0.00 C ATOM 837 C ASP A 241 20.683 5.800 1.559 1.00 0.00 C ATOM 838 O ASP A 241 20.624 6.868 2.171 1.00 0.00 O ATOM 839 CB ASP A 241 20.057 5.589 -0.896 1.00 0.00 C ATOM 840 CG ASP A 241 19.182 6.845 -1.016 1.00 0.00 C ATOM 841 OD1 ASP A 241 18.307 7.072 -0.140 1.00 0.00 O ATOM 842 OD2 ASP A 241 19.297 7.572 -2.024 1.00 0.00 O ATOM 0 H ASP A 241 21.770 3.750 0.136 1.00 0.00 H new ATOM 0 HA ASP A 241 21.670 6.718 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.479 5.349 -1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 241 19.435 4.744 -0.601 1.00 0.00 H new ATOM 847 N GLY A 242 20.411 4.627 2.141 1.00 0.00 N ATOM 848 CA GLY A 242 19.860 4.517 3.487 1.00 0.00 C ATOM 849 C GLY A 242 18.757 3.472 3.580 1.00 0.00 C ATOM 850 O GLY A 242 18.511 2.726 2.630 1.00 0.00 O ATOM 0 H GLY A 242 20.569 3.727 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 242 20.658 4.261 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 242 19.466 5.485 3.795 1.00 0.00 H new ATOM 854 N GLU A 243 18.123 3.371 4.747 1.00 0.00 N ATOM 855 CA GLU A 243 17.072 2.405 5.007 1.00 0.00 C ATOM 856 C GLU A 243 15.901 2.621 4.042 1.00 0.00 C ATOM 857 O GLU A 243 15.664 3.707 3.506 1.00 0.00 O ATOM 858 CB GLU A 243 16.628 2.545 6.464 1.00 0.00 C ATOM 859 CG GLU A 243 15.462 1.608 6.810 1.00 0.00 C ATOM 860 CD GLU A 243 15.188 1.398 8.297 1.00 0.00 C ATOM 861 OE1 GLU A 243 15.080 2.370 9.072 1.00 0.00 O ATOM 862 OE2 GLU A 243 14.980 0.229 8.700 1.00 0.00 O ATOM 0 H GLU A 243 18.332 3.969 5.546 1.00 0.00 H new ATOM 0 HA GLU A 243 17.444 1.393 4.845 1.00 0.00 H new ATOM 0 HB2 GLU A 243 17.471 2.330 7.121 1.00 0.00 H new ATOM 0 HB3 GLU A 243 16.331 3.576 6.654 1.00 0.00 H new ATOM 0 HG2 GLU A 243 14.557 2.001 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 243 15.657 0.636 6.356 1.00 0.00 H new ATOM 869 N TRP A 244 15.151 1.553 3.802 1.00 0.00 N ATOM 870 CA TRP A 244 14.025 1.578 2.902 1.00 0.00 C ATOM 871 C TRP A 244 12.748 2.074 3.574 1.00 0.00 C ATOM 872 O TRP A 244 12.501 1.815 4.756 1.00 0.00 O ATOM 873 CB TRP A 244 13.822 0.167 2.385 1.00 0.00 C ATOM 874 CG TRP A 244 12.898 0.087 1.215 1.00 0.00 C ATOM 875 CD1 TRP A 244 13.071 0.732 0.037 1.00 0.00 C ATOM 876 CD2 TRP A 244 11.672 -0.687 1.076 1.00 0.00 C ATOM 877 NE1 TRP A 244 12.114 0.303 -0.850 1.00 0.00 N ATOM 878 CE2 TRP A 244 11.134 -0.432 -0.216 1.00 0.00 C ATOM 879 CE3 TRP A 244 10.933 -1.537 1.922 1.00 0.00 C ATOM 880 CZ2 TRP A 244 9.874 -0.905 -0.602 1.00 0.00 C ATOM 881 CZ3 TRP A 244 9.681 -2.044 1.537 1.00 0.00 C ATOM 882 CH2 TRP A 244 9.145 -1.715 0.284 1.00 0.00 C ATOM 0 H TRP A 244 15.315 0.643 4.233 1.00 0.00 H new ATOM 0 HA TRP A 244 14.237 2.275 2.092 1.00 0.00 H new ATOM 0 HB2 TRP A 244 14.789 -0.250 2.103 1.00 0.00 H new ATOM 0 HB3 TRP A 244 13.429 -0.453 3.191 1.00 0.00 H new ATOM 0 HD1 TRP A 244 13.837 1.465 -0.171 1.00 0.00 H new ATOM 0 HE1 TRP A 244 12.126 0.503 -1.850 1.00 0.00 H new ATOM 0 HE3 TRP A 244 11.338 -1.804 2.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 244 9.467 -0.650 -1.570 1.00 0.00 H new ATOM 0 HZ3 TRP A 244 9.131 -2.688 2.207 1.00 0.00 H new ATOM 0 HH2 TRP A 244 8.171 -2.085 -0.000 1.00 0.00 H new ATOM 893 N GLU A 245 11.869 2.662 2.768 1.00 0.00 N ATOM 894 CA GLU A 245 10.453 2.822 3.034 1.00 0.00 C ATOM 895 C GLU A 245 9.753 2.530 1.708 1.00 0.00 C ATOM 896 O GLU A 245 10.195 3.058 0.681 1.00 0.00 O ATOM 897 CB GLU A 245 10.142 4.260 3.472 1.00 0.00 C ATOM 898 CG GLU A 245 10.562 4.553 4.916 1.00 0.00 C ATOM 899 CD GLU A 245 10.321 6.006 5.337 1.00 0.00 C ATOM 900 OE1 GLU A 245 9.570 6.735 4.652 1.00 0.00 O ATOM 901 OE2 GLU A 245 10.891 6.421 6.380 1.00 0.00 O ATOM 0 H GLU A 245 12.144 3.057 1.869 1.00 0.00 H new ATOM 0 HA GLU A 245 10.123 2.159 3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 245 10.651 4.955 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 245 9.072 4.442 3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 245 10.013 3.892 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 245 11.620 4.319 5.033 1.00 0.00 H new ATOM 908 N PRO A 246 8.662 1.752 1.692 1.00 0.00 N ATOM 909 CA PRO A 246 7.817 1.641 0.515 1.00 0.00 C ATOM 910 C PRO A 246 7.199 3.005 0.170 1.00 0.00 C ATOM 911 O PRO A 246 7.075 3.867 1.049 1.00 0.00 O ATOM 912 CB PRO A 246 6.734 0.609 0.851 1.00 0.00 C ATOM 913 CG PRO A 246 6.984 0.173 2.299 1.00 0.00 C ATOM 914 CD PRO A 246 8.088 1.072 2.836 1.00 0.00 C ATOM 0 HA PRO A 246 8.389 1.325 -0.358 1.00 0.00 H new ATOM 0 HB2 PRO A 246 5.739 1.041 0.742 1.00 0.00 H new ATOM 0 HB3 PRO A 246 6.787 -0.244 0.174 1.00 0.00 H new ATOM 0 HG2 PRO A 246 6.078 0.273 2.896 1.00 0.00 H new ATOM 0 HG3 PRO A 246 7.281 -0.875 2.343 1.00 0.00 H new ATOM 0 HD2 PRO A 246 7.689 1.789 3.553 1.00 0.00 H new ATOM 0 HD3 PRO A 246 8.845 0.487 3.358 1.00 0.00 H new ATOM 922 N PRO A 247 6.785 3.230 -1.086 1.00 0.00 N ATOM 923 CA PRO A 247 5.949 4.373 -1.429 1.00 0.00 C ATOM 924 C PRO A 247 4.536 4.180 -0.865 1.00 0.00 C ATOM 925 O PRO A 247 4.158 3.058 -0.510 1.00 0.00 O ATOM 926 CB PRO A 247 5.945 4.417 -2.957 1.00 0.00 C ATOM 927 CG PRO A 247 6.127 2.955 -3.355 1.00 0.00 C ATOM 928 CD PRO A 247 6.998 2.375 -2.242 1.00 0.00 C ATOM 0 HA PRO A 247 6.320 5.308 -1.009 1.00 0.00 H new ATOM 0 HB2 PRO A 247 5.012 4.825 -3.344 1.00 0.00 H new ATOM 0 HB3 PRO A 247 6.751 5.042 -3.343 1.00 0.00 H new ATOM 0 HG2 PRO A 247 5.170 2.438 -3.423 1.00 0.00 H new ATOM 0 HG3 PRO A 247 6.609 2.863 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 247 6.718 1.345 -2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 247 8.048 2.365 -2.533 1.00 0.00 H new ATOM 936 N VAL A 248 3.734 5.248 -0.836 1.00 0.00 N ATOM 937 CA VAL A 248 2.334 5.179 -0.455 1.00 0.00 C ATOM 938 C VAL A 248 1.525 5.264 -1.743 1.00 0.00 C ATOM 939 O VAL A 248 1.561 6.287 -2.432 1.00 0.00 O ATOM 940 CB VAL A 248 1.940 6.289 0.540 1.00 0.00 C ATOM 941 CG1 VAL A 248 0.885 5.720 1.485 1.00 0.00 C ATOM 942 CG2 VAL A 248 3.067 6.836 1.419 1.00 0.00 C ATOM 0 H VAL A 248 4.047 6.188 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 248 2.133 4.245 0.070 1.00 0.00 H new ATOM 0 HB VAL A 248 1.600 7.119 -0.079 1.00 0.00 H new ATOM 0 HG11 VAL A 248 0.587 6.486 2.201 1.00 0.00 H new ATOM 0 HG12 VAL A 248 0.015 5.403 0.910 1.00 0.00 H new ATOM 0 HG13 VAL A 248 1.298 4.865 2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 248 2.672 7.610 2.077 1.00 0.00 H new ATOM 0 HG22 VAL A 248 3.485 6.028 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 248 3.848 7.260 0.788 1.00 0.00 H new ATOM 952 N ILE A 249 0.835 4.182 -2.091 1.00 0.00 N ATOM 953 CA ILE A 249 0.060 4.057 -3.316 1.00 0.00 C ATOM 954 C ILE A 249 -1.422 4.145 -2.958 1.00 0.00 C ATOM 955 O ILE A 249 -1.800 3.883 -1.812 1.00 0.00 O ATOM 956 CB ILE A 249 0.434 2.759 -4.059 1.00 0.00 C ATOM 957 CG1 ILE A 249 -0.171 1.494 -3.407 1.00 0.00 C ATOM 958 CG2 ILE A 249 1.966 2.666 -4.210 1.00 0.00 C ATOM 959 CD1 ILE A 249 0.024 0.240 -4.262 1.00 0.00 C ATOM 0 H ILE A 249 0.800 3.345 -1.510 1.00 0.00 H new ATOM 0 HA ILE A 249 0.287 4.869 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 249 -0.010 2.804 -5.054 1.00 0.00 H new ATOM 0 HG12 ILE A 249 0.288 1.338 -2.431 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -1.236 1.651 -3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 249 2.225 1.747 -4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 249 2.328 3.523 -4.778 1.00 0.00 H new ATOM 0 HG23 ILE A 249 2.429 2.662 -3.223 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -0.420 -0.618 -3.756 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -0.458 0.381 -5.229 1.00 0.00 H new ATOM 0 HD13 ILE A 249 1.089 0.063 -4.410 1.00 0.00 H new ATOM 971 N GLN A 250 -2.278 4.468 -3.927 1.00 0.00 N ATOM 972 CA GLN A 250 -3.700 4.534 -3.649 1.00 0.00 C ATOM 973 C GLN A 250 -4.275 3.107 -3.638 1.00 0.00 C ATOM 974 O GLN A 250 -3.999 2.301 -4.526 1.00 0.00 O ATOM 975 CB GLN A 250 -4.391 5.509 -4.619 1.00 0.00 C ATOM 976 CG GLN A 250 -5.588 6.242 -3.981 1.00 0.00 C ATOM 977 CD GLN A 250 -6.936 5.694 -4.432 1.00 0.00 C ATOM 978 OE1 GLN A 250 -7.652 6.349 -5.184 1.00 0.00 O ATOM 979 NE2 GLN A 250 -7.306 4.495 -4.017 1.00 0.00 N ATOM 0 H GLN A 250 -2.014 4.683 -4.889 1.00 0.00 H new ATOM 0 HA GLN A 250 -3.892 4.947 -2.659 1.00 0.00 H new ATOM 0 HB2 GLN A 250 -3.665 6.244 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 250 -4.733 4.960 -5.496 1.00 0.00 H new ATOM 0 HG2 GLN A 250 -5.516 6.166 -2.896 1.00 0.00 H new ATOM 0 HG3 GLN A 250 -5.532 7.302 -4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 250 -6.701 3.962 -3.392 1.00 0.00 H new ATOM 0 HE22 GLN A 250 -8.197 4.102 -4.321 1.00 0.00 H new ATOM 988 N ASN A 251 -5.082 2.821 -2.619 1.00 0.00 N ATOM 989 CA ASN A 251 -5.713 1.570 -2.211 1.00 0.00 C ATOM 990 C ASN A 251 -6.423 0.902 -3.387 1.00 0.00 C ATOM 991 O ASN A 251 -7.469 1.411 -3.783 1.00 0.00 O ATOM 992 CB ASN A 251 -6.726 1.901 -1.095 1.00 0.00 C ATOM 993 CG ASN A 251 -7.221 0.704 -0.308 1.00 0.00 C ATOM 994 OD1 ASN A 251 -7.574 -0.336 -0.860 1.00 0.00 O ATOM 995 ND2 ASN A 251 -7.274 0.848 1.007 1.00 0.00 N ATOM 0 H ASN A 251 -5.343 3.566 -1.973 1.00 0.00 H new ATOM 0 HA ASN A 251 -4.956 0.873 -1.852 1.00 0.00 H new ATOM 0 HB2 ASN A 251 -6.265 2.607 -0.404 1.00 0.00 H new ATOM 0 HB3 ASN A 251 -7.584 2.405 -1.541 1.00 0.00 H new ATOM 0 HD21 ASN A 251 -7.615 0.084 1.590 1.00 0.00 H new ATOM 0 HD22 ASN A 251 -6.974 1.723 1.437 1.00 0.00 H new ATOM 1002 N PRO A 252 -5.918 -0.208 -3.949 1.00 0.00 N ATOM 1003 CA PRO A 252 -6.521 -0.835 -5.121 1.00 0.00 C ATOM 1004 C PRO A 252 -7.882 -1.482 -4.815 1.00 0.00 C ATOM 1005 O PRO A 252 -8.556 -1.951 -5.739 1.00 0.00 O ATOM 1006 CB PRO A 252 -5.488 -1.848 -5.626 1.00 0.00 C ATOM 1007 CG PRO A 252 -4.706 -2.215 -4.369 1.00 0.00 C ATOM 1008 CD PRO A 252 -4.720 -0.927 -3.548 1.00 0.00 C ATOM 0 HA PRO A 252 -6.751 -0.093 -5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 252 -5.966 -2.721 -6.071 1.00 0.00 H new ATOM 0 HB3 PRO A 252 -4.841 -1.415 -6.389 1.00 0.00 H new ATOM 0 HG2 PRO A 252 -5.176 -3.038 -3.831 1.00 0.00 H new ATOM 0 HG3 PRO A 252 -3.689 -2.528 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO A 252 -4.735 -1.145 -2.480 1.00 0.00 H new ATOM 0 HD3 PRO A 252 -3.826 -0.333 -3.739 1.00 0.00 H new ATOM 1016 N GLU A 253 -8.306 -1.534 -3.546 1.00 0.00 N ATOM 1017 CA GLU A 253 -9.658 -1.873 -3.154 1.00 0.00 C ATOM 1018 C GLU A 253 -10.535 -0.617 -3.066 1.00 0.00 C ATOM 1019 O GLU A 253 -11.442 -0.492 -3.889 1.00 0.00 O ATOM 1020 CB GLU A 253 -9.645 -2.684 -1.844 1.00 0.00 C ATOM 1021 CG GLU A 253 -10.509 -3.921 -2.056 1.00 0.00 C ATOM 1022 CD GLU A 253 -10.656 -4.759 -0.786 1.00 0.00 C ATOM 1023 OE1 GLU A 253 -11.537 -4.429 0.044 1.00 0.00 O ATOM 1024 OE2 GLU A 253 -9.900 -5.736 -0.584 1.00 0.00 O ATOM 0 H GLU A 253 -7.696 -1.335 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 253 -10.104 -2.507 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 253 -8.626 -2.969 -1.581 1.00 0.00 H new ATOM 0 HB3 GLU A 253 -10.031 -2.085 -1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 253 -11.496 -3.615 -2.402 1.00 0.00 H new ATOM 0 HG3 GLU A 253 -10.072 -4.535 -2.843 1.00 0.00 H new ATOM 1031 N TYR A 254 -10.280 0.276 -2.098 1.00 0.00 N ATOM 1032 CA TYR A 254 -11.135 1.388 -1.638 1.00 0.00 C ATOM 1033 C TYR A 254 -12.646 1.184 -1.900 1.00 0.00 C ATOM 1034 O TYR A 254 -13.166 1.581 -2.952 1.00 0.00 O ATOM 1035 CB TYR A 254 -10.657 2.740 -2.180 1.00 0.00 C ATOM 1036 CG TYR A 254 -11.191 3.912 -1.379 1.00 0.00 C ATOM 1037 CD1 TYR A 254 -12.433 4.498 -1.689 1.00 0.00 C ATOM 1038 CD2 TYR A 254 -10.444 4.404 -0.295 1.00 0.00 C ATOM 1039 CE1 TYR A 254 -12.909 5.611 -0.968 1.00 0.00 C ATOM 1040 CE2 TYR A 254 -10.907 5.511 0.435 1.00 0.00 C ATOM 1041 CZ TYR A 254 -12.129 6.135 0.092 1.00 0.00 C ATOM 1042 OH TYR A 254 -12.533 7.239 0.781 1.00 0.00 O ATOM 0 H TYR A 254 -9.405 0.239 -1.575 1.00 0.00 H new ATOM 0 HA TYR A 254 -11.024 1.392 -0.554 1.00 0.00 H new ATOM 0 HB2 TYR A 254 -9.567 2.766 -2.172 1.00 0.00 H new ATOM 0 HB3 TYR A 254 -10.970 2.842 -3.219 1.00 0.00 H new ATOM 0 HD1 TYR A 254 -13.029 4.089 -2.491 1.00 0.00 H new ATOM 0 HD2 TYR A 254 -9.512 3.930 -0.023 1.00 0.00 H new ATOM 0 HE1 TYR A 254 -13.858 6.060 -1.221 1.00 0.00 H new ATOM 0 HE2 TYR A 254 -10.326 5.888 1.264 1.00 0.00 H new ATOM 0 HH TYR A 254 -11.873 7.453 1.473 1.00 0.00 H new ATOM 1052 N LYS A 255 -13.375 0.635 -0.911 1.00 0.00 N ATOM 1053 CA LYS A 255 -14.831 0.405 -0.996 1.00 0.00 C ATOM 1054 C LYS A 255 -15.553 1.689 -1.369 1.00 0.00 C ATOM 1055 O LYS A 255 -16.443 1.678 -2.222 1.00 0.00 O ATOM 1056 CB LYS A 255 -15.413 -0.088 0.331 1.00 0.00 C ATOM 1057 CG LYS A 255 -14.913 -1.461 0.774 1.00 0.00 C ATOM 1058 CD LYS A 255 -15.509 -1.779 2.149 1.00 0.00 C ATOM 1059 CE LYS A 255 -14.756 -2.908 2.853 1.00 0.00 C ATOM 1060 NZ LYS A 255 -15.078 -4.238 2.321 1.00 0.00 N ATOM 0 H LYS A 255 -12.969 0.336 -0.024 1.00 0.00 H new ATOM 0 HA LYS A 255 -14.978 -0.358 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 255 -15.176 0.638 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 255 -16.499 -0.122 0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 255 -15.205 -2.222 0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 255 -13.824 -1.469 0.823 1.00 0.00 H new ATOM 0 HD2 LYS A 255 -15.484 -0.884 2.771 1.00 0.00 H new ATOM 0 HD3 LYS A 255 -16.556 -2.058 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 255 -13.684 -2.736 2.758 1.00 0.00 H new ATOM 0 HE3 LYS A 255 -14.990 -2.883 3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 255 -14.537 -4.959 2.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 255 -16.095 -4.421 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 255 -14.830 -4.277 1.312 1.00 0.00 H new ATOM 1074 N GLY A 256 -15.163 2.770 -0.697 1.00 0.00 N ATOM 1075 CA GLY A 256 -15.686 4.103 -0.840 1.00 0.00 C ATOM 1076 C GLY A 256 -17.161 4.128 -0.534 1.00 0.00 C ATOM 1077 O GLY A 256 -17.543 4.178 0.631 1.00 0.00 O ATOM 0 H GLY A 256 -14.424 2.722 0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 256 -15.158 4.781 -0.169 1.00 0.00 H new ATOM 0 HA3 GLY A 256 -15.513 4.461 -1.855 1.00 0.00 H new ATOM 1081 N GLU A 257 -17.987 4.120 -1.579 1.00 0.00 N ATOM 1082 CA GLU A 257 -19.410 4.359 -1.437 1.00 0.00 C ATOM 1083 C GLU A 257 -20.021 3.279 -0.550 1.00 0.00 C ATOM 1084 O GLU A 257 -20.177 2.135 -0.982 1.00 0.00 O ATOM 1085 CB GLU A 257 -20.076 4.427 -2.821 1.00 0.00 C ATOM 1086 CG GLU A 257 -21.608 4.229 -2.908 1.00 0.00 C ATOM 1087 CD GLU A 257 -22.449 5.341 -2.279 1.00 0.00 C ATOM 1088 OE1 GLU A 257 -21.895 6.194 -1.556 1.00 0.00 O ATOM 1089 OE2 GLU A 257 -23.665 5.426 -2.598 1.00 0.00 O ATOM 0 H GLU A 257 -17.685 3.948 -2.538 1.00 0.00 H new ATOM 0 HA GLU A 257 -19.581 5.321 -0.953 1.00 0.00 H new ATOM 0 HB2 GLU A 257 -19.841 5.399 -3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 257 -19.607 3.673 -3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 257 -21.886 4.135 -3.958 1.00 0.00 H new ATOM 0 HG3 GLU A 257 -21.864 3.286 -2.425 1.00 0.00 H new ATOM 1096 N TRP A 258 -20.341 3.638 0.690 1.00 0.00 N ATOM 1097 CA TRP A 258 -21.127 2.783 1.561 1.00 0.00 C ATOM 1098 C TRP A 258 -22.545 2.744 1.022 1.00 0.00 C ATOM 1099 O TRP A 258 -23.016 3.688 0.380 1.00 0.00 O ATOM 1100 CB TRP A 258 -21.083 3.278 3.007 1.00 0.00 C ATOM 1101 CG TRP A 258 -22.110 2.649 3.892 1.00 0.00 C ATOM 1102 CD1 TRP A 258 -21.961 1.519 4.619 1.00 0.00 C ATOM 1103 CD2 TRP A 258 -23.507 3.041 4.035 1.00 0.00 C ATOM 1104 NE1 TRP A 258 -23.169 1.207 5.210 1.00 0.00 N ATOM 1105 CE2 TRP A 258 -24.156 2.109 4.888 1.00 0.00 C ATOM 1106 CE3 TRP A 258 -24.310 4.033 3.436 1.00 0.00 C ATOM 1107 CZ2 TRP A 258 -25.521 2.195 5.195 1.00 0.00 C ATOM 1108 CZ3 TRP A 258 -25.686 4.107 3.707 1.00 0.00 C ATOM 1109 CH2 TRP A 258 -26.284 3.223 4.623 1.00 0.00 C ATOM 0 H TRP A 258 -20.063 4.524 1.113 1.00 0.00 H new ATOM 0 HA TRP A 258 -20.713 1.775 1.572 1.00 0.00 H new ATOM 0 HB2 TRP A 258 -20.093 3.081 3.418 1.00 0.00 H new ATOM 0 HB3 TRP A 258 -21.223 4.359 3.015 1.00 0.00 H new ATOM 0 HD1 TRP A 258 -21.047 0.953 4.721 1.00 0.00 H new ATOM 0 HE1 TRP A 258 -23.313 0.400 5.816 1.00 0.00 H new ATOM 0 HE3 TRP A 258 -23.861 4.745 2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 258 -25.978 1.480 5.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 258 -26.291 4.850 3.207 1.00 0.00 H new ATOM 0 HH2 TRP A 258 -27.326 3.335 4.885 1.00 0.00 H new ATOM 1120 N LYS A 259 -23.223 1.629 1.270 1.00 0.00 N ATOM 1121 CA LYS A 259 -24.587 1.385 0.851 1.00 0.00 C ATOM 1122 C LYS A 259 -25.227 0.530 1.944 1.00 0.00 C ATOM 1123 O LYS A 259 -24.506 -0.217 2.607 1.00 0.00 O ATOM 1124 CB LYS A 259 -24.575 0.670 -0.518 1.00 0.00 C ATOM 1125 CG LYS A 259 -23.837 1.483 -1.604 1.00 0.00 C ATOM 1126 CD LYS A 259 -23.699 0.817 -2.980 1.00 0.00 C ATOM 1127 CE LYS A 259 -22.475 -0.111 -3.062 1.00 0.00 C ATOM 1128 NZ LYS A 259 -21.167 0.592 -3.077 1.00 0.00 N ATOM 0 H LYS A 259 -22.819 0.847 1.786 1.00 0.00 H new ATOM 0 HA LYS A 259 -25.159 2.304 0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 259 -24.098 -0.304 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 259 -25.601 0.489 -0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 259 -24.359 2.431 -1.734 1.00 0.00 H new ATOM 0 HG3 LYS A 259 -22.838 1.717 -1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 259 -24.601 0.244 -3.195 1.00 0.00 H new ATOM 0 HD3 LYS A 259 -23.620 1.587 -3.747 1.00 0.00 H new ATOM 0 HE2 LYS A 259 -22.496 -0.794 -2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 259 -22.556 -0.719 -3.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 259 -20.406 -0.095 -3.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 259 -21.167 1.309 -3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 259 -21.011 1.055 -2.159 1.00 0.00 H new ATOM 1142 N PRO A 260 -26.552 0.571 2.126 1.00 0.00 N ATOM 1143 CA PRO A 260 -27.259 -0.246 3.105 1.00 0.00 C ATOM 1144 C PRO A 260 -27.494 -1.655 2.523 1.00 0.00 C ATOM 1145 O PRO A 260 -28.630 -2.145 2.494 1.00 0.00 O ATOM 1146 CB PRO A 260 -28.545 0.552 3.362 1.00 0.00 C ATOM 1147 CG PRO A 260 -28.862 1.169 1.998 1.00 0.00 C ATOM 1148 CD PRO A 260 -27.484 1.384 1.367 1.00 0.00 C ATOM 0 HA PRO A 260 -26.724 -0.423 4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 260 -29.354 -0.091 3.709 1.00 0.00 H new ATOM 0 HB3 PRO A 260 -28.397 1.317 4.124 1.00 0.00 H new ATOM 0 HG2 PRO A 260 -29.480 0.506 1.393 1.00 0.00 H new ATOM 0 HG3 PRO A 260 -29.406 2.108 2.100 1.00 0.00 H new ATOM 0 HD2 PRO A 260 -27.488 1.091 0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 260 -27.200 2.436 1.404 1.00 0.00 H new ATOM 1156 N ARG A 261 -26.461 -2.240 1.901 1.00 0.00 N ATOM 1157 CA ARG A 261 -26.529 -3.416 1.053 1.00 0.00 C ATOM 1158 C ARG A 261 -25.104 -3.898 0.813 1.00 0.00 C ATOM 1159 O ARG A 261 -24.878 -5.126 0.716 1.00 0.00 O ATOM 1160 CB ARG A 261 -27.219 -3.039 -0.273 1.00 0.00 C ATOM 1161 CG ARG A 261 -27.974 -4.239 -0.840 1.00 0.00 C ATOM 1162 CD ARG A 261 -28.728 -3.878 -2.120 1.00 0.00 C ATOM 1163 NE ARG A 261 -29.331 -5.083 -2.713 1.00 0.00 N ATOM 1164 CZ ARG A 261 -30.633 -5.382 -2.775 1.00 0.00 C ATOM 1165 NH1 ARG A 261 -31.562 -4.458 -2.550 1.00 0.00 N ATOM 1166 NH2 ARG A 261 -30.992 -6.616 -3.103 1.00 0.00 N ATOM 0 H ARG A 261 -25.511 -1.879 1.987 1.00 0.00 H new ATOM 0 HA ARG A 261 -27.106 -4.213 1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 261 -27.909 -2.212 -0.109 1.00 0.00 H new ATOM 0 HB3 ARG A 261 -26.476 -2.696 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 261 -27.272 -5.047 -1.047 1.00 0.00 H new ATOM 0 HG3 ARG A 261 -28.678 -4.611 -0.096 1.00 0.00 H new ATOM 0 HD2 ARG A 261 -29.504 -3.145 -1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 261 -28.047 -3.415 -2.834 1.00 0.00 H new ATOM 0 HE ARG A 261 -28.687 -5.762 -3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 261 -31.287 -3.502 -2.326 1.00 0.00 H new ATOM 0 HH12 ARG A 261 -32.550 -4.705 -2.602 1.00 0.00 H new ATOM 0 HH21 ARG A 261 -30.280 -7.318 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 261 -31.980 -6.863 -3.155 1.00 0.00 H new