USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 375 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 221 CYS SG : rot -141:sc= 0.392 USER MOD Set 1.2: A 223 ASN : amide:sc= -0.101 K(o=-4.4,f=-8.2!) USER MOD Set 1.3: A 225 CYS SG : rot 120:sc= -1.47 USER MOD Set 1.4: A 238 HIS : no HD1:sc= -4.46 K(o=-4.4,f=-9.2!) USER MOD Set 1.5: A 242 SER OG : rot -127:sc= 0.692 USER MOD Set 1.6: A 243 CYS SG : rot 114:sc= 0.531 USER MOD Set 2.1: A 195 CYS SG : rot 119:sc= 0.586 USER MOD Set 2.2: A 198 CYS SG : rot -60:sc= -2.74 USER MOD Set 2.3: A 210 HIS : no HD1:sc= -0.549 K(o=-3.2,f=-5) USER MOD Set 2.4: A 214 CYS SG : rot 145:sc= -0.535 USER MOD Single : A 192 THR OG1 : rot -31:sc= 0.133 USER MOD Single : A 193 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.25) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 THR OG1 : rot 1:sc= 0.619 USER MOD Single : A 200 LYS NZ :NH3+ -156:sc= -0.0483 (180deg=-0.346) USER MOD Single : A 206 THR OG1 : rot -30:sc= 0.266 USER MOD Single : A 208 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= -0.0624 K(o=-0.062,f=-1.3!) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 192 -17.507 -8.831 6.269 1.00 0.00 N ATOM 113 CA THR A 192 -16.163 -8.285 6.136 1.00 0.00 C ATOM 114 C THR A 192 -15.347 -8.519 7.402 1.00 0.00 C ATOM 115 O THR A 192 -15.868 -8.427 8.513 1.00 0.00 O ATOM 116 CB THR A 192 -16.197 -6.775 5.834 1.00 0.00 C ATOM 117 OG1 THR A 192 -17.021 -6.102 6.793 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.727 -6.515 4.432 1.00 0.00 C ATOM 0 HA THR A 192 -15.692 -8.805 5.301 1.00 0.00 H new ATOM 0 HB THR A 192 -15.179 -6.391 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.732 -6.706 7.095 1.00 0.00 H new ATOM 0 HG21 THR A 192 -16.742 -5.442 4.242 1.00 0.00 H new ATOM 0 HG22 THR A 192 -16.081 -7.004 3.702 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.738 -6.913 4.346 1.00 0.00 H new ATOM 126 N GLN A 193 -14.064 -8.822 7.227 1.00 0.00 N ATOM 127 CA GLN A 193 -13.177 -9.070 8.357 1.00 0.00 C ATOM 128 C GLN A 193 -12.192 -7.919 8.538 1.00 0.00 C ATOM 129 O GLN A 193 -11.280 -7.718 7.736 1.00 0.00 O ATOM 130 CB GLN A 193 -12.415 -10.381 8.156 1.00 0.00 C ATOM 131 CG GLN A 193 -13.309 -11.611 8.168 1.00 0.00 C ATOM 132 CD GLN A 193 -14.105 -11.742 9.451 1.00 0.00 C ATOM 133 OE1 GLN A 193 -13.572 -11.568 10.547 1.00 0.00 O ATOM 134 NE2 GLN A 193 -15.391 -12.049 9.322 1.00 0.00 N ATOM 0 H GLN A 193 -13.616 -8.901 6.314 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.788 -9.147 9.256 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.881 -10.339 7.207 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.664 -10.480 8.940 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -13.995 -11.565 7.322 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -12.696 -12.502 8.033 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -15.792 -12.185 8.394 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -15.977 -12.149 10.151 1.00 0.00 H new ATOM 143 N PRO A 194 -12.379 -7.144 9.617 1.00 0.00 N ATOM 144 CA PRO A 194 -11.518 -6.000 9.929 1.00 0.00 C ATOM 145 C PRO A 194 -10.118 -6.429 10.358 1.00 0.00 C ATOM 146 O PRO A 194 -9.938 -7.018 11.424 1.00 0.00 O ATOM 147 CB PRO A 194 -12.245 -5.313 11.087 1.00 0.00 C ATOM 148 CG PRO A 194 -13.046 -6.395 11.726 1.00 0.00 C ATOM 149 CD PRO A 194 -13.447 -7.325 10.615 1.00 0.00 C ATOM 0 HA PRO A 194 -11.366 -5.356 9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.540 -4.873 11.792 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -12.884 -4.505 10.730 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -12.461 -6.919 12.482 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -13.923 -5.987 12.229 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -13.506 -8.358 10.957 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.425 -7.067 10.208 1.00 0.00 H new ATOM 157 N CYS A 195 -9.130 -6.129 9.521 1.00 0.00 N ATOM 158 CA CYS A 195 -7.747 -6.483 9.814 1.00 0.00 C ATOM 159 C CYS A 195 -7.252 -5.759 11.063 1.00 0.00 C ATOM 160 O CYS A 195 -7.676 -4.640 11.355 1.00 0.00 O ATOM 161 CB CYS A 195 -6.848 -6.140 8.623 1.00 0.00 C ATOM 162 SG CYS A 195 -5.091 -6.546 8.877 1.00 0.00 S ATOM 0 H CYS A 195 -9.262 -5.642 8.635 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.704 -7.557 9.997 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.209 -6.673 7.743 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -6.937 -5.075 8.409 1.00 0.00 H new ATOM 0 HG CYS A 195 -4.714 -7.416 7.988 1.00 0.00 H new ATOM 167 N THR A 196 -6.353 -6.406 11.798 1.00 0.00 N ATOM 168 CA THR A 196 -5.801 -5.825 13.015 1.00 0.00 C ATOM 169 C THR A 196 -4.543 -5.017 12.718 1.00 0.00 C ATOM 170 O THR A 196 -4.231 -4.055 13.420 1.00 0.00 O ATOM 171 CB THR A 196 -5.465 -6.912 14.054 1.00 0.00 C ATOM 172 OG1 THR A 196 -6.648 -7.645 14.395 1.00 0.00 O ATOM 173 CG2 THR A 196 -4.865 -6.296 15.308 1.00 0.00 C ATOM 0 H THR A 196 -5.992 -7.333 11.571 1.00 0.00 H new ATOM 0 HA THR A 196 -6.565 -5.165 13.424 1.00 0.00 H new ATOM 0 HB THR A 196 -4.732 -7.589 13.615 1.00 0.00 H new ATOM 0 HG1 THR A 196 -6.426 -8.335 15.054 1.00 0.00 H new ATOM 0 HG21 THR A 196 -4.636 -7.083 16.026 1.00 0.00 H new ATOM 0 HG22 THR A 196 -3.950 -5.763 15.050 1.00 0.00 H new ATOM 0 HG23 THR A 196 -5.578 -5.599 15.748 1.00 0.00 H new ATOM 181 N TYR A 197 -3.824 -5.413 11.674 1.00 0.00 N ATOM 182 CA TYR A 197 -2.598 -4.726 11.285 1.00 0.00 C ATOM 183 C TYR A 197 -2.906 -3.349 10.706 1.00 0.00 C ATOM 184 O TYR A 197 -2.608 -2.323 11.319 1.00 0.00 O ATOM 185 CB TYR A 197 -1.823 -5.560 10.263 1.00 0.00 C ATOM 186 CG TYR A 197 -1.081 -6.728 10.873 1.00 0.00 C ATOM 187 CD1 TYR A 197 -1.765 -7.743 11.531 1.00 0.00 C ATOM 188 CD2 TYR A 197 0.303 -6.816 10.792 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.091 -8.812 12.090 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.984 -7.882 11.346 1.00 0.00 C ATOM 191 CZ TYR A 197 0.283 -8.877 11.994 1.00 0.00 C ATOM 192 OH TYR A 197 0.959 -9.940 12.550 1.00 0.00 O ATOM 0 H TYR A 197 -4.069 -6.206 11.082 1.00 0.00 H new ATOM 0 HA TYR A 197 -1.985 -4.596 12.177 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.517 -5.934 9.511 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.110 -4.917 9.747 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -2.841 -7.696 11.607 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.856 -6.038 10.287 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -1.637 -9.592 12.599 1.00 0.00 H new ATOM 0 HE2 TYR A 197 2.060 -7.936 11.272 1.00 0.00 H new ATOM 0 HH TYR A 197 1.921 -9.834 12.393 1.00 0.00 H new ATOM 202 N CYS A 198 -3.504 -3.334 9.519 1.00 0.00 N ATOM 203 CA CYS A 198 -3.854 -2.084 8.855 1.00 0.00 C ATOM 204 C CYS A 198 -5.096 -1.462 9.486 1.00 0.00 C ATOM 205 O CYS A 198 -5.517 -0.368 9.108 1.00 0.00 O ATOM 206 CB CYS A 198 -4.093 -2.326 7.363 1.00 0.00 C ATOM 207 SG CYS A 198 -5.488 -3.440 7.004 1.00 0.00 S ATOM 0 H CYS A 198 -3.756 -4.174 8.997 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.021 -1.391 8.976 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.272 -1.368 6.875 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.187 -2.743 6.924 1.00 0.00 H new ATOM 0 HG CYS A 198 -5.270 -4.599 7.552 1.00 0.00 H new ATOM 212 N THR A 199 -5.679 -2.166 10.451 1.00 0.00 N ATOM 213 CA THR A 199 -6.873 -1.684 11.134 1.00 0.00 C ATOM 214 C THR A 199 -7.900 -1.154 10.139 1.00 0.00 C ATOM 215 O THR A 199 -8.473 -0.082 10.334 1.00 0.00 O ATOM 216 CB THR A 199 -6.532 -0.572 12.144 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.112 0.608 11.450 1.00 0.00 O ATOM 218 CG2 THR A 199 -5.435 -1.024 13.096 1.00 0.00 C ATOM 0 H THR A 199 -5.343 -3.072 10.777 1.00 0.00 H new ATOM 0 HA THR A 199 -7.295 -2.534 11.670 1.00 0.00 H new ATOM 0 HB THR A 199 -7.428 -0.352 12.725 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.145 0.448 10.484 1.00 0.00 H new ATOM 0 HG21 THR A 199 -5.211 -0.222 13.800 1.00 0.00 H new ATOM 0 HG22 THR A 199 -5.769 -1.905 13.644 1.00 0.00 H new ATOM 0 HG23 THR A 199 -4.538 -1.269 12.527 1.00 0.00 H new ATOM 226 N LYS A 200 -8.129 -1.912 9.073 1.00 0.00 N ATOM 227 CA LYS A 200 -9.089 -1.520 8.047 1.00 0.00 C ATOM 228 C LYS A 200 -10.207 -2.551 7.926 1.00 0.00 C ATOM 229 O LYS A 200 -10.265 -3.509 8.696 1.00 0.00 O ATOM 230 CB LYS A 200 -8.385 -1.354 6.698 1.00 0.00 C ATOM 231 CG LYS A 200 -7.574 -0.075 6.588 1.00 0.00 C ATOM 232 CD LYS A 200 -7.216 0.236 5.145 1.00 0.00 C ATOM 233 CE LYS A 200 -7.091 1.734 4.911 1.00 0.00 C ATOM 234 NZ LYS A 200 -8.404 2.426 5.034 1.00 0.00 N ATOM 0 H LYS A 200 -7.663 -2.802 8.896 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.528 -0.567 8.340 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.726 -2.207 6.534 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.131 -1.370 5.904 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.142 0.754 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -6.662 -0.169 7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -6.276 -0.253 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -7.979 -0.174 4.483 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -6.389 2.157 5.630 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -6.678 1.913 3.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -8.380 3.315 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -9.156 1.814 4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -8.595 2.633 6.035 1.00 0.00 H new ATOM 248 N GLU A 201 -11.091 -2.347 6.954 1.00 0.00 N ATOM 249 CA GLU A 201 -12.206 -3.260 6.734 1.00 0.00 C ATOM 250 C GLU A 201 -12.143 -3.868 5.335 1.00 0.00 C ATOM 251 O GLU A 201 -12.116 -3.151 4.335 1.00 0.00 O ATOM 252 CB GLU A 201 -13.537 -2.530 6.924 1.00 0.00 C ATOM 253 CG GLU A 201 -13.712 -1.935 8.312 1.00 0.00 C ATOM 254 CD GLU A 201 -15.129 -1.464 8.570 1.00 0.00 C ATOM 255 OE1 GLU A 201 -15.748 -0.908 7.639 1.00 0.00 O ATOM 256 OE2 GLU A 201 -15.620 -1.650 9.703 1.00 0.00 O ATOM 0 H GLU A 201 -11.056 -1.559 6.308 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.133 -4.065 7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.614 -1.733 6.184 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.354 -3.225 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.439 -2.680 9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -13.027 -1.096 8.433 1.00 0.00 H new ATOM 263 N PHE A 202 -12.119 -5.195 5.274 1.00 0.00 N ATOM 264 CA PHE A 202 -12.057 -5.901 4.000 1.00 0.00 C ATOM 265 C PHE A 202 -12.981 -7.116 4.005 1.00 0.00 C ATOM 266 O PHE A 202 -13.379 -7.602 5.064 1.00 0.00 O ATOM 267 CB PHE A 202 -10.622 -6.340 3.705 1.00 0.00 C ATOM 268 CG PHE A 202 -9.678 -5.193 3.480 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.753 -4.434 2.323 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.718 -4.873 4.425 1.00 0.00 C ATOM 271 CE1 PHE A 202 -8.886 -3.379 2.113 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.848 -3.818 4.221 1.00 0.00 C ATOM 273 CZ PHE A 202 -7.933 -3.069 3.064 1.00 0.00 C ATOM 0 H PHE A 202 -12.142 -5.803 6.092 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.389 -5.217 3.219 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -10.257 -6.943 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.620 -6.980 2.823 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.498 -4.670 1.577 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.648 -5.454 5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -8.953 -2.797 1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.103 -3.580 4.966 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.256 -2.243 2.903 1.00 0.00 H new ATOM 283 N VAL A 203 -13.319 -7.600 2.814 1.00 0.00 N ATOM 284 CA VAL A 203 -14.196 -8.758 2.680 1.00 0.00 C ATOM 285 C VAL A 203 -13.427 -10.056 2.895 1.00 0.00 C ATOM 286 O VAL A 203 -12.270 -10.180 2.493 1.00 0.00 O ATOM 287 CB VAL A 203 -14.868 -8.795 1.295 1.00 0.00 C ATOM 288 CG1 VAL A 203 -13.822 -8.892 0.196 1.00 0.00 C ATOM 289 CG2 VAL A 203 -15.851 -9.953 1.212 1.00 0.00 C ATOM 0 H VAL A 203 -12.999 -7.208 1.928 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.966 -8.664 3.446 1.00 0.00 H new ATOM 0 HB VAL A 203 -15.422 -7.867 1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -14.316 -8.917 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -13.161 -8.026 0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -13.238 -9.802 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -16.317 -9.965 0.227 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -15.322 -10.892 1.374 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -16.620 -9.833 1.976 1.00 0.00 H new ATOM 299 N PHE A 204 -14.078 -11.025 3.532 1.00 0.00 N ATOM 300 CA PHE A 204 -13.456 -12.316 3.801 1.00 0.00 C ATOM 301 C PHE A 204 -12.868 -12.912 2.525 1.00 0.00 C ATOM 302 O PHE A 204 -11.967 -13.750 2.577 1.00 0.00 O ATOM 303 CB PHE A 204 -14.477 -13.282 4.405 1.00 0.00 C ATOM 304 CG PHE A 204 -15.177 -14.130 3.383 1.00 0.00 C ATOM 305 CD1 PHE A 204 -16.283 -13.647 2.701 1.00 0.00 C ATOM 306 CD2 PHE A 204 -14.731 -15.412 3.104 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.929 -14.425 1.759 1.00 0.00 C ATOM 308 CE2 PHE A 204 -15.373 -16.195 2.163 1.00 0.00 C ATOM 309 CZ PHE A 204 -16.474 -15.701 1.491 1.00 0.00 C ATOM 0 H PHE A 204 -15.036 -10.940 3.871 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.647 -12.160 4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.972 -13.931 5.120 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -15.220 -12.711 4.962 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -16.644 -12.651 2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -13.872 -15.804 3.628 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -17.788 -14.036 1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -15.014 -17.192 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.978 -16.312 0.757 1.00 0.00 H new ATOM 319 N ASP A 205 -13.384 -12.475 1.382 1.00 0.00 N ATOM 320 CA ASP A 205 -12.910 -12.964 0.093 1.00 0.00 C ATOM 321 C ASP A 205 -11.509 -12.440 -0.206 1.00 0.00 C ATOM 322 O ASP A 205 -10.718 -13.100 -0.882 1.00 0.00 O ATOM 323 CB ASP A 205 -13.872 -12.546 -1.020 1.00 0.00 C ATOM 324 CG ASP A 205 -13.220 -12.570 -2.389 1.00 0.00 C ATOM 325 OD1 ASP A 205 -12.557 -11.574 -2.747 1.00 0.00 O ATOM 326 OD2 ASP A 205 -13.373 -13.584 -3.102 1.00 0.00 O ATOM 0 H ASP A 205 -14.131 -11.783 1.322 1.00 0.00 H new ATOM 0 HA ASP A 205 -12.869 -14.052 0.138 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.734 -13.212 -1.020 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -14.245 -11.542 -0.816 1.00 0.00 H new ATOM 331 N THR A 206 -11.207 -11.249 0.301 1.00 0.00 N ATOM 332 CA THR A 206 -9.903 -10.635 0.087 1.00 0.00 C ATOM 333 C THR A 206 -8.994 -10.839 1.294 1.00 0.00 C ATOM 334 O THR A 206 -7.832 -11.218 1.151 1.00 0.00 O ATOM 335 CB THR A 206 -10.031 -9.126 -0.195 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.691 -8.478 0.898 1.00 0.00 O ATOM 337 CG2 THR A 206 -10.807 -8.881 -1.481 1.00 0.00 C ATOM 0 H THR A 206 -11.849 -10.690 0.863 1.00 0.00 H new ATOM 0 HA THR A 206 -9.463 -11.124 -0.783 1.00 0.00 H new ATOM 0 HB THR A 206 -9.029 -8.713 -0.309 1.00 0.00 H new ATOM 0 HG1 THR A 206 -11.315 -9.104 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 206 -10.885 -7.809 -1.660 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.287 -9.351 -2.315 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.806 -9.307 -1.390 1.00 0.00 H new ATOM 345 N ILE A 207 -9.532 -10.585 2.483 1.00 0.00 N ATOM 346 CA ILE A 207 -8.770 -10.743 3.715 1.00 0.00 C ATOM 347 C ILE A 207 -7.772 -11.891 3.601 1.00 0.00 C ATOM 348 O ILE A 207 -6.651 -11.803 4.100 1.00 0.00 O ATOM 349 CB ILE A 207 -9.694 -10.999 4.920 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.962 -10.686 6.227 1.00 0.00 C ATOM 351 CG2 ILE A 207 -10.187 -12.438 4.914 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.931 -9.212 6.565 1.00 0.00 C ATOM 0 H ILE A 207 -10.492 -10.269 2.618 1.00 0.00 H new ATOM 0 HA ILE A 207 -8.230 -9.809 3.874 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.559 -10.340 4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -9.443 -11.227 7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.939 -11.056 6.159 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -10.839 -12.603 5.772 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -10.741 -12.629 3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -9.335 -13.115 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -8.397 -9.065 7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.423 -8.667 5.769 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.951 -8.840 6.666 1.00 0.00 H new ATOM 364 N GLN A 208 -8.188 -12.966 2.940 1.00 0.00 N ATOM 365 CA GLN A 208 -7.331 -14.131 2.759 1.00 0.00 C ATOM 366 C GLN A 208 -6.001 -13.735 2.125 1.00 0.00 C ATOM 367 O GLN A 208 -4.934 -14.010 2.674 1.00 0.00 O ATOM 368 CB GLN A 208 -8.032 -15.177 1.891 1.00 0.00 C ATOM 369 CG GLN A 208 -9.311 -15.720 2.506 1.00 0.00 C ATOM 370 CD GLN A 208 -9.596 -17.151 2.094 1.00 0.00 C ATOM 371 OE1 GLN A 208 -9.602 -17.478 0.907 1.00 0.00 O ATOM 372 NE2 GLN A 208 -9.835 -18.013 3.075 1.00 0.00 N ATOM 0 H GLN A 208 -9.114 -13.054 2.521 1.00 0.00 H new ATOM 0 HA GLN A 208 -7.131 -14.560 3.741 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -8.264 -14.736 0.921 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -7.346 -16.005 1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -9.238 -15.666 3.592 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -10.148 -15.088 2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -9.820 -17.699 4.045 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -10.034 -18.990 2.859 1.00 0.00 H new ATOM 381 N SER A 209 -6.073 -13.089 0.966 1.00 0.00 N ATOM 382 CA SER A 209 -4.875 -12.659 0.255 1.00 0.00 C ATOM 383 C SER A 209 -4.322 -11.369 0.853 1.00 0.00 C ATOM 384 O SER A 209 -3.116 -11.232 1.058 1.00 0.00 O ATOM 385 CB SER A 209 -5.182 -12.456 -1.230 1.00 0.00 C ATOM 386 OG SER A 209 -4.043 -12.725 -2.028 1.00 0.00 O ATOM 0 H SER A 209 -6.948 -12.852 0.499 1.00 0.00 H new ATOM 0 HA SER A 209 -4.121 -13.439 0.359 1.00 0.00 H new ATOM 0 HB2 SER A 209 -6.001 -13.110 -1.528 1.00 0.00 H new ATOM 0 HB3 SER A 209 -5.515 -11.432 -1.399 1.00 0.00 H new ATOM 0 HG SER A 209 -4.266 -12.590 -2.973 1.00 0.00 H new ATOM 392 N HIS A 210 -5.214 -10.423 1.130 1.00 0.00 N ATOM 393 CA HIS A 210 -4.817 -9.142 1.705 1.00 0.00 C ATOM 394 C HIS A 210 -3.725 -9.333 2.753 1.00 0.00 C ATOM 395 O HIS A 210 -2.693 -8.665 2.715 1.00 0.00 O ATOM 396 CB HIS A 210 -6.025 -8.444 2.330 1.00 0.00 C ATOM 397 CG HIS A 210 -5.665 -7.503 3.438 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.380 -6.170 3.231 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.546 -7.708 4.771 1.00 0.00 C ATOM 400 CE1 HIS A 210 -5.100 -5.596 4.388 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.194 -6.508 5.338 1.00 0.00 N ATOM 0 H HIS A 210 -6.216 -10.519 0.966 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.421 -8.518 0.904 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.557 -7.893 1.555 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.712 -9.198 2.714 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.699 -8.642 5.292 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.839 -4.558 4.532 1.00 0.00 H new ATOM 0 HE2 HIS A 210 -5.031 -6.347 6.332 1.00 0.00 H new ATOM 409 N GLN A 211 -3.963 -10.247 3.689 1.00 0.00 N ATOM 410 CA GLN A 211 -3.000 -10.523 4.748 1.00 0.00 C ATOM 411 C GLN A 211 -1.571 -10.334 4.248 1.00 0.00 C ATOM 412 O GLN A 211 -0.717 -9.809 4.963 1.00 0.00 O ATOM 413 CB GLN A 211 -3.184 -11.948 5.275 1.00 0.00 C ATOM 414 CG GLN A 211 -4.408 -12.116 6.160 1.00 0.00 C ATOM 415 CD GLN A 211 -4.162 -11.671 7.588 1.00 0.00 C ATOM 416 OE1 GLN A 211 -3.054 -11.805 8.110 1.00 0.00 O ATOM 417 NE2 GLN A 211 -5.195 -11.137 8.229 1.00 0.00 N ATOM 0 H GLN A 211 -4.814 -10.808 3.735 1.00 0.00 H new ATOM 0 HA GLN A 211 -3.178 -9.817 5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -3.260 -12.632 4.430 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -2.296 -12.236 5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -5.235 -11.542 5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.713 -13.163 6.157 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -6.095 -11.045 7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -5.088 -10.819 9.192 1.00 0.00 H new ATOM 426 N TYR A 212 -1.319 -10.765 3.017 1.00 0.00 N ATOM 427 CA TYR A 212 0.007 -10.645 2.423 1.00 0.00 C ATOM 428 C TYR A 212 0.282 -9.209 1.989 1.00 0.00 C ATOM 429 O TYR A 212 1.348 -8.659 2.267 1.00 0.00 O ATOM 430 CB TYR A 212 0.138 -11.586 1.224 1.00 0.00 C ATOM 431 CG TYR A 212 0.615 -12.973 1.592 1.00 0.00 C ATOM 432 CD1 TYR A 212 1.780 -13.157 2.326 1.00 0.00 C ATOM 433 CD2 TYR A 212 -0.100 -14.100 1.205 1.00 0.00 C ATOM 434 CE1 TYR A 212 2.220 -14.422 2.664 1.00 0.00 C ATOM 435 CE2 TYR A 212 0.331 -15.369 1.540 1.00 0.00 C ATOM 436 CZ TYR A 212 1.491 -15.525 2.269 1.00 0.00 C ATOM 437 OH TYR A 212 1.925 -16.788 2.603 1.00 0.00 O ATOM 0 H TYR A 212 -2.015 -11.200 2.412 1.00 0.00 H new ATOM 0 HA TYR A 212 0.742 -10.924 3.178 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.829 -11.663 0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 212 0.833 -11.151 0.505 1.00 0.00 H new ATOM 0 HD1 TYR A 212 2.352 -12.296 2.638 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -1.008 -13.982 0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 212 3.129 -14.547 3.234 1.00 0.00 H new ATOM 0 HE2 TYR A 212 -0.238 -16.234 1.233 1.00 0.00 H new ATOM 0 HH TYR A 212 1.298 -17.453 2.250 1.00 0.00 H new ATOM 447 N GLN A 213 -0.687 -8.608 1.307 1.00 0.00 N ATOM 448 CA GLN A 213 -0.550 -7.235 0.834 1.00 0.00 C ATOM 449 C GLN A 213 -0.319 -6.279 1.999 1.00 0.00 C ATOM 450 O GLN A 213 0.533 -5.393 1.929 1.00 0.00 O ATOM 451 CB GLN A 213 -1.797 -6.816 0.054 1.00 0.00 C ATOM 452 CG GLN A 213 -2.118 -7.730 -1.118 1.00 0.00 C ATOM 453 CD GLN A 213 -1.243 -7.459 -2.326 1.00 0.00 C ATOM 454 OE1 GLN A 213 -0.335 -6.629 -2.276 1.00 0.00 O ATOM 455 NE2 GLN A 213 -1.512 -8.161 -3.421 1.00 0.00 N ATOM 0 H GLN A 213 -1.575 -9.050 1.069 1.00 0.00 H new ATOM 0 HA GLN A 213 0.316 -7.189 0.173 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.650 -6.796 0.732 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.660 -5.800 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -1.993 -8.768 -0.809 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -3.164 -7.604 -1.396 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -2.274 -8.839 -3.418 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -0.956 -8.022 -4.265 1.00 0.00 H new ATOM 464 N CYS A 214 -1.083 -6.463 3.070 1.00 0.00 N ATOM 465 CA CYS A 214 -0.963 -5.617 4.251 1.00 0.00 C ATOM 466 C CYS A 214 0.484 -5.183 4.464 1.00 0.00 C ATOM 467 O CYS A 214 1.365 -5.994 4.751 1.00 0.00 O ATOM 468 CB CYS A 214 -1.473 -6.357 5.489 1.00 0.00 C ATOM 469 SG CYS A 214 -2.112 -5.263 6.798 1.00 0.00 S ATOM 0 H CYS A 214 -1.793 -7.192 3.144 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.571 -4.727 4.093 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.263 -7.045 5.188 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.663 -6.960 5.898 1.00 0.00 H new ATOM 0 HG CYS A 214 -3.110 -5.841 7.398 1.00 0.00 H new ATOM 474 N PRO A 215 0.737 -3.874 4.321 1.00 0.00 N ATOM 475 CA PRO A 215 2.075 -3.302 4.495 1.00 0.00 C ATOM 476 C PRO A 215 2.535 -3.332 5.949 1.00 0.00 C ATOM 477 O PRO A 215 3.656 -3.742 6.247 1.00 0.00 O ATOM 478 CB PRO A 215 1.909 -1.858 4.016 1.00 0.00 C ATOM 479 CG PRO A 215 0.464 -1.556 4.216 1.00 0.00 C ATOM 480 CD PRO A 215 -0.265 -2.850 3.980 1.00 0.00 C ATOM 0 HA PRO A 215 2.832 -3.863 3.947 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.539 -1.176 4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.194 -1.753 2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.279 -1.182 5.223 1.00 0.00 H new ATOM 0 HG3 PRO A 215 0.127 -0.786 3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.152 -2.931 4.608 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.597 -2.941 2.946 1.00 0.00 H new ATOM 488 N ARG A 216 1.661 -2.895 6.850 1.00 0.00 N ATOM 489 CA ARG A 216 1.977 -2.872 8.272 1.00 0.00 C ATOM 490 C ARG A 216 2.786 -4.103 8.670 1.00 0.00 C ATOM 491 O ARG A 216 3.688 -4.024 9.505 1.00 0.00 O ATOM 492 CB ARG A 216 0.694 -2.802 9.101 1.00 0.00 C ATOM 493 CG ARG A 216 -0.010 -1.458 9.023 1.00 0.00 C ATOM 494 CD ARG A 216 0.721 -0.398 9.832 1.00 0.00 C ATOM 495 NE ARG A 216 0.614 -0.636 11.269 1.00 0.00 N ATOM 496 CZ ARG A 216 0.693 0.326 12.181 1.00 0.00 C ATOM 497 NH1 ARG A 216 0.877 1.584 11.808 1.00 0.00 N ATOM 498 NH2 ARG A 216 0.586 0.029 13.470 1.00 0.00 N ATOM 0 H ARG A 216 0.728 -2.552 6.620 1.00 0.00 H new ATOM 0 HA ARG A 216 2.578 -1.984 8.470 1.00 0.00 H new ATOM 0 HB2 ARG A 216 0.010 -3.581 8.763 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.932 -3.018 10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.077 -1.141 7.982 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.031 -1.559 9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 216 1.772 -0.383 9.544 1.00 0.00 H new ATOM 0 HD3 ARG A 216 0.312 0.584 9.596 1.00 0.00 H new ATOM 0 HE ARG A 216 0.471 -1.594 11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 216 0.958 1.816 10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 216 0.937 2.321 12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 216 0.443 -0.938 13.760 1.00 0.00 H new ATOM 0 HH22 ARG A 216 0.647 0.768 14.170 1.00 0.00 H new ATOM 512 N LEU A 217 2.457 -5.240 8.067 1.00 0.00 N ATOM 513 CA LEU A 217 3.153 -6.489 8.358 1.00 0.00 C ATOM 514 C LEU A 217 4.644 -6.247 8.566 1.00 0.00 C ATOM 515 O LEU A 217 5.308 -5.588 7.766 1.00 0.00 O ATOM 516 CB LEU A 217 2.941 -7.490 7.220 1.00 0.00 C ATOM 517 CG LEU A 217 3.249 -8.952 7.547 1.00 0.00 C ATOM 518 CD1 LEU A 217 2.058 -9.609 8.228 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.630 -9.712 6.285 1.00 0.00 C ATOM 0 H LEU A 217 1.713 -5.323 7.374 1.00 0.00 H new ATOM 0 HA LEU A 217 2.739 -6.901 9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.904 -7.423 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 217 3.562 -7.188 6.377 1.00 0.00 H new ATOM 0 HG LEU A 217 4.095 -8.980 8.234 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.296 -10.649 8.453 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.831 -9.080 9.154 1.00 0.00 H new ATOM 0 HD13 LEU A 217 1.193 -9.570 7.566 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.846 -10.750 6.537 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.804 -9.675 5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 217 4.513 -9.256 5.838 1.00 0.00 H new ATOM 531 N PRO A 218 5.185 -6.793 9.665 1.00 0.00 N ATOM 532 CA PRO A 218 6.604 -6.652 10.003 1.00 0.00 C ATOM 533 C PRO A 218 7.507 -7.431 9.052 1.00 0.00 C ATOM 534 O PRO A 218 7.329 -8.634 8.858 1.00 0.00 O ATOM 535 CB PRO A 218 6.691 -7.230 11.418 1.00 0.00 C ATOM 536 CG PRO A 218 5.547 -8.179 11.510 1.00 0.00 C ATOM 537 CD PRO A 218 4.452 -7.592 10.662 1.00 0.00 C ATOM 0 HA PRO A 218 6.940 -5.618 9.929 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.641 -7.739 11.580 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.616 -6.446 12.171 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.831 -9.168 11.151 1.00 0.00 H new ATOM 0 HG3 PRO A 218 5.220 -8.297 12.543 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.849 -8.368 10.191 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.774 -6.975 11.252 1.00 0.00 H new ATOM 545 N VAL A 219 8.476 -6.739 8.463 1.00 0.00 N ATOM 546 CA VAL A 219 9.407 -7.366 7.533 1.00 0.00 C ATOM 547 C VAL A 219 10.849 -7.193 7.999 1.00 0.00 C ATOM 548 O VAL A 219 11.248 -6.110 8.425 1.00 0.00 O ATOM 549 CB VAL A 219 9.264 -6.783 6.115 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.923 -7.171 5.510 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.428 -5.271 6.142 1.00 0.00 C ATOM 0 H VAL A 219 8.637 -5.743 8.613 1.00 0.00 H new ATOM 0 HA VAL A 219 9.161 -8.428 7.507 1.00 0.00 H new ATOM 0 HB VAL A 219 10.052 -7.200 5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.840 -6.750 4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.850 -8.257 5.454 1.00 0.00 H new ATOM 0 HG13 VAL A 219 7.117 -6.784 6.134 1.00 0.00 H new ATOM 0 HG21 VAL A 219 9.324 -4.876 5.132 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.663 -4.833 6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.415 -5.019 6.530 1.00 0.00 H new ATOM 561 N ALA A 220 11.625 -8.269 7.915 1.00 0.00 N ATOM 562 CA ALA A 220 13.023 -8.236 8.325 1.00 0.00 C ATOM 563 C ALA A 220 13.847 -7.347 7.398 1.00 0.00 C ATOM 564 O ALA A 220 13.658 -7.358 6.182 1.00 0.00 O ATOM 565 CB ALA A 220 13.598 -9.644 8.357 1.00 0.00 C ATOM 0 H ALA A 220 11.309 -9.174 7.567 1.00 0.00 H new ATOM 0 HA ALA A 220 13.071 -7.813 9.329 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.643 -9.603 8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 220 13.034 -10.251 9.065 1.00 0.00 H new ATOM 0 HB3 ALA A 220 13.529 -10.088 7.364 1.00 0.00 H new ATOM 571 N CYS A 221 14.760 -6.578 7.981 1.00 0.00 N ATOM 572 CA CYS A 221 15.612 -5.682 7.208 1.00 0.00 C ATOM 573 C CYS A 221 16.558 -6.472 6.309 1.00 0.00 C ATOM 574 O CYS A 221 17.236 -7.404 6.745 1.00 0.00 O ATOM 575 CB CYS A 221 16.416 -4.777 8.143 1.00 0.00 C ATOM 576 SG CYS A 221 17.436 -3.537 7.281 1.00 0.00 S ATOM 0 H CYS A 221 14.929 -6.557 8.987 1.00 0.00 H new ATOM 0 HA CYS A 221 14.971 -5.065 6.578 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.728 -4.263 8.814 1.00 0.00 H new ATOM 0 HB3 CYS A 221 17.063 -5.397 8.763 1.00 0.00 H new ATOM 0 HG CYS A 221 18.576 -3.411 7.893 1.00 0.00 H new ATOM 581 N PRO A 222 16.607 -6.093 5.023 1.00 0.00 N ATOM 582 CA PRO A 222 17.467 -6.753 4.036 1.00 0.00 C ATOM 583 C PRO A 222 18.947 -6.472 4.277 1.00 0.00 C ATOM 584 O PRO A 222 19.814 -7.121 3.693 1.00 0.00 O ATOM 585 CB PRO A 222 17.016 -6.140 2.708 1.00 0.00 C ATOM 586 CG PRO A 222 16.447 -4.814 3.076 1.00 0.00 C ATOM 587 CD PRO A 222 15.827 -4.992 4.435 1.00 0.00 C ATOM 0 HA PRO A 222 17.374 -7.838 4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.852 -6.034 2.017 1.00 0.00 H new ATOM 0 HB3 PRO A 222 16.273 -6.767 2.215 1.00 0.00 H new ATOM 0 HG2 PRO A 222 17.223 -4.049 3.098 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.703 -4.492 2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.901 -4.083 5.033 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.768 -5.242 4.364 1.00 0.00 H new ATOM 595 N ASN A 223 19.227 -5.502 5.141 1.00 0.00 N ATOM 596 CA ASN A 223 20.603 -5.136 5.459 1.00 0.00 C ATOM 597 C ASN A 223 21.069 -5.830 6.735 1.00 0.00 C ATOM 598 O ASN A 223 22.269 -5.956 6.981 1.00 0.00 O ATOM 599 CB ASN A 223 20.726 -3.619 5.616 1.00 0.00 C ATOM 600 CG ASN A 223 20.287 -2.872 4.371 1.00 0.00 C ATOM 601 OD1 ASN A 223 19.791 -3.471 3.416 1.00 0.00 O ATOM 602 ND2 ASN A 223 20.468 -1.557 4.376 1.00 0.00 N ATOM 0 H ASN A 223 18.520 -4.955 5.633 1.00 0.00 H new ATOM 0 HA ASN A 223 21.239 -5.462 4.636 1.00 0.00 H new ATOM 0 HB2 ASN A 223 20.122 -3.294 6.463 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.760 -3.363 5.845 1.00 0.00 H new ATOM 0 HD21 ASN A 223 20.192 -1.001 3.566 1.00 0.00 H new ATOM 0 HD22 ASN A 223 20.883 -1.102 5.189 1.00 0.00 H new ATOM 609 N GLN A 224 20.113 -6.278 7.542 1.00 0.00 N ATOM 610 CA GLN A 224 20.426 -6.959 8.793 1.00 0.00 C ATOM 611 C GLN A 224 21.197 -6.040 9.735 1.00 0.00 C ATOM 612 O GLN A 224 22.222 -6.428 10.297 1.00 0.00 O ATOM 613 CB GLN A 224 21.239 -8.226 8.519 1.00 0.00 C ATOM 614 CG GLN A 224 20.466 -9.292 7.761 1.00 0.00 C ATOM 615 CD GLN A 224 21.113 -10.660 7.854 1.00 0.00 C ATOM 616 OE1 GLN A 224 20.681 -11.513 8.630 1.00 0.00 O ATOM 617 NE2 GLN A 224 22.157 -10.876 7.062 1.00 0.00 N ATOM 0 H GLN A 224 19.115 -6.182 7.352 1.00 0.00 H new ATOM 0 HA GLN A 224 19.487 -7.235 9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 224 22.129 -7.960 7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.580 -8.641 9.467 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.451 -9.347 8.154 1.00 0.00 H new ATOM 0 HG3 GLN A 224 20.387 -9.002 6.713 1.00 0.00 H new ATOM 0 HE21 GLN A 224 22.482 -10.141 6.434 1.00 0.00 H new ATOM 0 HE22 GLN A 224 22.634 -11.777 7.082 1.00 0.00 H new ATOM 626 N CYS A 225 20.698 -4.820 9.902 1.00 0.00 N ATOM 627 CA CYS A 225 21.339 -3.844 10.775 1.00 0.00 C ATOM 628 C CYS A 225 21.213 -4.258 12.239 1.00 0.00 C ATOM 629 O CYS A 225 22.204 -4.318 12.966 1.00 0.00 O ATOM 630 CB CYS A 225 20.720 -2.460 10.570 1.00 0.00 C ATOM 631 SG CYS A 225 18.899 -2.445 10.625 1.00 0.00 S ATOM 0 H CYS A 225 19.851 -4.483 9.444 1.00 0.00 H new ATOM 0 HA CYS A 225 22.397 -3.803 10.517 1.00 0.00 H new ATOM 0 HB2 CYS A 225 21.102 -1.786 11.337 1.00 0.00 H new ATOM 0 HB3 CYS A 225 21.047 -2.066 9.608 1.00 0.00 H new ATOM 0 HG CYS A 225 18.500 -1.668 11.588 1.00 0.00 H new ATOM 636 N GLY A 226 19.986 -4.543 12.664 1.00 0.00 N ATOM 637 CA GLY A 226 19.752 -4.947 14.038 1.00 0.00 C ATOM 638 C GLY A 226 18.295 -4.825 14.438 1.00 0.00 C ATOM 639 O GLY A 226 17.762 -5.685 15.139 1.00 0.00 O ATOM 0 H GLY A 226 19.150 -4.501 12.081 1.00 0.00 H new ATOM 0 HA2 GLY A 226 20.077 -5.979 14.170 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.361 -4.334 14.702 1.00 0.00 H new ATOM 643 N VAL A 227 17.649 -3.752 13.994 1.00 0.00 N ATOM 644 CA VAL A 227 16.244 -3.519 14.310 1.00 0.00 C ATOM 645 C VAL A 227 15.465 -4.829 14.346 1.00 0.00 C ATOM 646 O VAL A 227 14.612 -5.033 15.209 1.00 0.00 O ATOM 647 CB VAL A 227 15.588 -2.572 13.288 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.624 -3.182 11.895 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.160 -2.250 13.701 1.00 0.00 C ATOM 0 H VAL A 227 18.076 -3.030 13.414 1.00 0.00 H new ATOM 0 HA VAL A 227 16.214 -3.054 15.295 1.00 0.00 H new ATOM 0 HB VAL A 227 16.154 -1.641 13.266 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.156 -2.499 11.186 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.659 -3.357 11.601 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.083 -4.128 11.898 1.00 0.00 H new ATOM 0 HG21 VAL A 227 13.712 -1.580 12.968 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.580 -3.171 13.753 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.164 -1.768 14.679 1.00 0.00 H new ATOM 659 N GLY A 228 15.765 -5.716 13.402 1.00 0.00 N ATOM 660 CA GLY A 228 15.083 -6.996 13.344 1.00 0.00 C ATOM 661 C GLY A 228 13.912 -6.986 12.381 1.00 0.00 C ATOM 662 O GLY A 228 14.065 -7.302 11.201 1.00 0.00 O ATOM 0 H GLY A 228 16.468 -5.571 12.677 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.791 -7.768 13.042 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.728 -7.261 14.340 1.00 0.00 H new ATOM 666 N THR A 229 12.737 -6.624 12.886 1.00 0.00 N ATOM 667 CA THR A 229 11.534 -6.578 12.064 1.00 0.00 C ATOM 668 C THR A 229 10.912 -5.186 12.079 1.00 0.00 C ATOM 669 O THR A 229 10.911 -4.506 13.106 1.00 0.00 O ATOM 670 CB THR A 229 10.487 -7.601 12.542 1.00 0.00 C ATOM 671 OG1 THR A 229 10.269 -7.458 13.950 1.00 0.00 O ATOM 672 CG2 THR A 229 10.939 -9.021 12.236 1.00 0.00 C ATOM 0 H THR A 229 12.593 -6.358 13.860 1.00 0.00 H new ATOM 0 HA THR A 229 11.836 -6.828 11.047 1.00 0.00 H new ATOM 0 HB THR A 229 9.555 -7.410 12.009 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.601 -8.111 14.246 1.00 0.00 H new ATOM 0 HG21 THR A 229 10.183 -9.726 12.583 1.00 0.00 H new ATOM 0 HG22 THR A 229 11.076 -9.136 11.161 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.882 -9.220 12.745 1.00 0.00 H new ATOM 680 N VAL A 230 10.382 -4.767 10.934 1.00 0.00 N ATOM 681 CA VAL A 230 9.754 -3.457 10.817 1.00 0.00 C ATOM 682 C VAL A 230 8.707 -3.446 9.708 1.00 0.00 C ATOM 683 O VAL A 230 8.914 -4.021 8.640 1.00 0.00 O ATOM 684 CB VAL A 230 10.796 -2.359 10.534 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.439 -2.570 9.172 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.156 -0.981 10.623 1.00 0.00 C ATOM 0 H VAL A 230 10.375 -5.316 10.075 1.00 0.00 H new ATOM 0 HA VAL A 230 9.270 -3.252 11.772 1.00 0.00 H new ATOM 0 HB VAL A 230 11.578 -2.421 11.291 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.172 -1.784 8.990 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.934 -3.541 9.150 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.672 -2.536 8.398 1.00 0.00 H new ATOM 0 HG21 VAL A 230 10.907 -0.217 10.420 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.353 -0.905 9.889 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.749 -0.833 11.623 1.00 0.00 H new ATOM 696 N ALA A 231 7.583 -2.788 9.970 1.00 0.00 N ATOM 697 CA ALA A 231 6.504 -2.700 8.993 1.00 0.00 C ATOM 698 C ALA A 231 7.052 -2.460 7.591 1.00 0.00 C ATOM 699 O ALA A 231 7.982 -1.675 7.403 1.00 0.00 O ATOM 700 CB ALA A 231 5.532 -1.595 9.379 1.00 0.00 C ATOM 0 H ALA A 231 7.395 -2.308 10.850 1.00 0.00 H new ATOM 0 HA ALA A 231 5.972 -3.651 8.988 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.732 -1.540 8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.107 -1.810 10.360 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.060 -0.642 9.413 1.00 0.00 H new ATOM 706 N ARG A 232 6.471 -3.141 6.609 1.00 0.00 N ATOM 707 CA ARG A 232 6.902 -3.003 5.223 1.00 0.00 C ATOM 708 C ARG A 232 6.917 -1.537 4.802 1.00 0.00 C ATOM 709 O ARG A 232 7.833 -1.089 4.113 1.00 0.00 O ATOM 710 CB ARG A 232 5.981 -3.801 4.298 1.00 0.00 C ATOM 711 CG ARG A 232 6.263 -3.580 2.820 1.00 0.00 C ATOM 712 CD ARG A 232 5.561 -4.618 1.958 1.00 0.00 C ATOM 713 NE ARG A 232 6.159 -4.720 0.630 1.00 0.00 N ATOM 714 CZ ARG A 232 5.499 -5.142 -0.443 1.00 0.00 C ATOM 715 NH1 ARG A 232 4.225 -5.498 -0.344 1.00 0.00 N ATOM 716 NH2 ARG A 232 6.112 -5.208 -1.618 1.00 0.00 N ATOM 0 H ARG A 232 5.700 -3.794 6.748 1.00 0.00 H new ATOM 0 HA ARG A 232 7.915 -3.397 5.143 1.00 0.00 H new ATOM 0 HB2 ARG A 232 6.084 -4.862 4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.946 -3.529 4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 232 5.933 -2.582 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 232 7.338 -3.625 2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 232 5.605 -5.589 2.451 1.00 0.00 H new ATOM 0 HD3 ARG A 232 4.507 -4.357 1.862 1.00 0.00 H new ATOM 0 HE ARG A 232 7.137 -4.453 0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 232 3.750 -5.448 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 232 3.720 -5.822 -1.169 1.00 0.00 H new ATOM 0 HH21 ARG A 232 7.091 -4.935 -1.698 1.00 0.00 H new ATOM 0 HH22 ARG A 232 5.604 -5.532 -2.441 1.00 0.00 H new ATOM 730 N GLU A 233 5.897 -0.795 5.221 1.00 0.00 N ATOM 731 CA GLU A 233 5.793 0.620 4.886 1.00 0.00 C ATOM 732 C GLU A 233 6.702 1.459 5.779 1.00 0.00 C ATOM 733 O GLU A 233 6.924 2.642 5.521 1.00 0.00 O ATOM 734 CB GLU A 233 4.345 1.095 5.024 1.00 0.00 C ATOM 735 CG GLU A 233 3.814 1.023 6.446 1.00 0.00 C ATOM 736 CD GLU A 233 2.626 1.938 6.671 1.00 0.00 C ATOM 737 OE1 GLU A 233 1.526 1.614 6.176 1.00 0.00 O ATOM 738 OE2 GLU A 233 2.795 2.977 7.343 1.00 0.00 O ATOM 0 H GLU A 233 5.131 -1.150 5.793 1.00 0.00 H new ATOM 0 HA GLU A 233 6.112 0.746 3.851 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.274 2.123 4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.710 0.490 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 233 3.525 -0.004 6.671 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.610 1.289 7.141 1.00 0.00 H new ATOM 745 N ASP A 234 7.225 0.838 6.831 1.00 0.00 N ATOM 746 CA ASP A 234 8.111 1.526 7.763 1.00 0.00 C ATOM 747 C ASP A 234 9.570 1.352 7.355 1.00 0.00 C ATOM 748 O ASP A 234 10.421 2.179 7.685 1.00 0.00 O ATOM 749 CB ASP A 234 7.900 0.999 9.183 1.00 0.00 C ATOM 750 CG ASP A 234 6.660 1.576 9.837 1.00 0.00 C ATOM 751 OD1 ASP A 234 5.709 1.920 9.104 1.00 0.00 O ATOM 752 OD2 ASP A 234 6.640 1.686 11.081 1.00 0.00 O ATOM 0 H ASP A 234 7.051 -0.141 7.060 1.00 0.00 H new ATOM 0 HA ASP A 234 7.870 2.589 7.738 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.820 -0.088 9.156 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.773 1.240 9.790 1.00 0.00 H new ATOM 757 N LEU A 235 9.854 0.272 6.636 1.00 0.00 N ATOM 758 CA LEU A 235 11.211 -0.011 6.183 1.00 0.00 C ATOM 759 C LEU A 235 11.787 1.174 5.414 1.00 0.00 C ATOM 760 O LEU A 235 12.937 1.568 5.604 1.00 0.00 O ATOM 761 CB LEU A 235 11.225 -1.261 5.301 1.00 0.00 C ATOM 762 CG LEU A 235 12.535 -2.050 5.275 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.825 -2.647 6.643 1.00 0.00 C ATOM 764 CD2 LEU A 235 12.480 -3.141 4.215 1.00 0.00 C ATOM 0 H LEU A 235 9.162 -0.422 6.354 1.00 0.00 H new ATOM 0 HA LEU A 235 11.832 -0.186 7.062 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.430 -1.927 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.983 -0.964 4.281 1.00 0.00 H new ATOM 0 HG LEU A 235 13.344 -1.366 5.021 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.761 -3.205 6.606 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.909 -1.847 7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 235 12.014 -3.318 6.927 1.00 0.00 H new ATOM 0 HD21 LEU A 235 13.420 -3.692 4.211 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.660 -3.824 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 235 12.320 -2.689 3.236 1.00 0.00 H new ATOM 776 N PRO A 236 10.968 1.757 4.525 1.00 0.00 N ATOM 777 CA PRO A 236 11.374 2.907 3.712 1.00 0.00 C ATOM 778 C PRO A 236 12.039 3.999 4.543 1.00 0.00 C ATOM 779 O PRO A 236 13.196 4.349 4.313 1.00 0.00 O ATOM 780 CB PRO A 236 10.052 3.411 3.127 1.00 0.00 C ATOM 781 CG PRO A 236 9.166 2.214 3.105 1.00 0.00 C ATOM 782 CD PRO A 236 9.584 1.339 4.247 1.00 0.00 C ATOM 0 HA PRO A 236 12.113 2.633 2.959 1.00 0.00 H new ATOM 0 HB2 PRO A 236 9.627 4.207 3.738 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.192 3.818 2.126 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.121 2.506 3.205 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.259 1.683 2.158 1.00 0.00 H new ATOM 0 HD2 PRO A 236 8.941 1.482 5.116 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.531 0.283 3.982 1.00 0.00 H new ATOM 790 N GLY A 237 11.300 4.534 5.511 1.00 0.00 N ATOM 791 CA GLY A 237 11.836 5.580 6.361 1.00 0.00 C ATOM 792 C GLY A 237 13.006 5.103 7.200 1.00 0.00 C ATOM 793 O GLY A 237 13.916 5.875 7.505 1.00 0.00 O ATOM 0 H GLY A 237 10.340 4.261 5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.155 6.419 5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.048 5.949 7.018 1.00 0.00 H new ATOM 797 N HIS A 238 12.982 3.828 7.575 1.00 0.00 N ATOM 798 CA HIS A 238 14.048 3.250 8.385 1.00 0.00 C ATOM 799 C HIS A 238 15.365 3.230 7.616 1.00 0.00 C ATOM 800 O HIS A 238 16.390 3.706 8.106 1.00 0.00 O ATOM 801 CB HIS A 238 13.676 1.832 8.819 1.00 0.00 C ATOM 802 CG HIS A 238 14.861 0.953 9.076 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.385 0.744 10.334 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.625 0.227 8.227 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.420 -0.071 10.248 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.587 -0.401 8.980 1.00 0.00 N ATOM 0 H HIS A 238 12.237 3.176 7.331 1.00 0.00 H new ATOM 0 HA HIS A 238 14.175 3.872 9.271 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.071 1.885 9.724 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.056 1.376 8.047 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.501 0.155 7.157 1.00 0.00 H new ATOM 0 HE1 HIS A 238 17.027 -0.410 11.074 1.00 0.00 H new ATOM 0 HE2 HIS A 238 17.312 -1.021 8.619 1.00 0.00 H new ATOM 814 N LEU A 239 15.331 2.677 6.409 1.00 0.00 N ATOM 815 CA LEU A 239 16.523 2.594 5.571 1.00 0.00 C ATOM 816 C LEU A 239 17.155 3.970 5.386 1.00 0.00 C ATOM 817 O LEU A 239 18.375 4.095 5.277 1.00 0.00 O ATOM 818 CB LEU A 239 16.171 1.994 4.208 1.00 0.00 C ATOM 819 CG LEU A 239 16.007 0.475 4.166 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.223 0.057 2.931 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.366 -0.210 4.194 1.00 0.00 C ATOM 0 H LEU A 239 14.491 2.279 5.988 1.00 0.00 H new ATOM 0 HA LEU A 239 17.245 1.947 6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.243 2.449 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 239 16.949 2.275 3.498 1.00 0.00 H new ATOM 0 HG LEU A 239 15.448 0.165 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 239 15.116 -1.028 2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.236 0.519 2.953 1.00 0.00 H new ATOM 0 HD13 LEU A 239 15.755 0.380 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 239 17.229 -1.291 4.163 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.951 0.106 3.330 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.892 0.063 5.108 1.00 0.00 H new ATOM 833 N LYS A 240 16.317 5.000 5.354 1.00 0.00 N ATOM 834 CA LYS A 240 16.793 6.369 5.186 1.00 0.00 C ATOM 835 C LYS A 240 17.936 6.669 6.150 1.00 0.00 C ATOM 836 O LYS A 240 19.074 6.880 5.732 1.00 0.00 O ATOM 837 CB LYS A 240 15.648 7.359 5.410 1.00 0.00 C ATOM 838 CG LYS A 240 16.063 8.813 5.257 1.00 0.00 C ATOM 839 CD LYS A 240 15.016 9.754 5.828 1.00 0.00 C ATOM 840 CE LYS A 240 15.364 11.209 5.551 1.00 0.00 C ATOM 841 NZ LYS A 240 14.171 12.094 5.652 1.00 0.00 N ATOM 0 H LYS A 240 15.304 4.914 5.442 1.00 0.00 H new ATOM 0 HA LYS A 240 17.164 6.477 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 240 14.847 7.142 4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 240 15.240 7.210 6.410 1.00 0.00 H new ATOM 0 HG2 LYS A 240 17.015 8.976 5.763 1.00 0.00 H new ATOM 0 HG3 LYS A 240 16.220 9.039 4.202 1.00 0.00 H new ATOM 0 HD2 LYS A 240 14.043 9.523 5.395 1.00 0.00 H new ATOM 0 HD3 LYS A 240 14.932 9.597 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 240 16.124 11.542 6.258 1.00 0.00 H new ATOM 0 HE3 LYS A 240 15.797 11.295 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 14.450 13.077 5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 13.456 11.793 4.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 13.773 12.032 6.611 1.00 0.00 H new ATOM 855 N ASP A 241 17.625 6.687 7.442 1.00 0.00 N ATOM 856 CA ASP A 241 18.627 6.959 8.466 1.00 0.00 C ATOM 857 C ASP A 241 18.728 5.798 9.450 1.00 0.00 C ATOM 858 O ASP A 241 19.815 5.283 9.708 1.00 0.00 O ATOM 859 CB ASP A 241 18.285 8.249 9.214 1.00 0.00 C ATOM 860 CG ASP A 241 17.066 8.098 10.102 1.00 0.00 C ATOM 861 OD1 ASP A 241 17.226 7.653 11.258 1.00 0.00 O ATOM 862 OD2 ASP A 241 15.952 8.423 9.642 1.00 0.00 O ATOM 0 H ASP A 241 16.687 6.516 7.805 1.00 0.00 H new ATOM 0 HA ASP A 241 19.592 7.078 7.973 1.00 0.00 H new ATOM 0 HB2 ASP A 241 19.138 8.550 9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.109 9.048 8.493 1.00 0.00 H new ATOM 867 N SER A 242 17.586 5.391 9.997 1.00 0.00 N ATOM 868 CA SER A 242 17.547 4.294 10.956 1.00 0.00 C ATOM 869 C SER A 242 18.627 3.262 10.646 1.00 0.00 C ATOM 870 O SER A 242 19.582 3.098 11.407 1.00 0.00 O ATOM 871 CB SER A 242 16.170 3.627 10.944 1.00 0.00 C ATOM 872 OG SER A 242 15.921 2.949 12.163 1.00 0.00 O ATOM 0 H SER A 242 16.677 5.805 9.792 1.00 0.00 H new ATOM 0 HA SER A 242 17.736 4.705 11.948 1.00 0.00 H new ATOM 0 HB2 SER A 242 15.399 4.380 10.779 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.111 2.923 10.114 1.00 0.00 H new ATOM 0 HG SER A 242 15.667 2.021 11.975 1.00 0.00 H new ATOM 878 N CYS A 243 18.470 2.569 9.524 1.00 0.00 N ATOM 879 CA CYS A 243 19.430 1.552 9.111 1.00 0.00 C ATOM 880 C CYS A 243 20.841 2.128 9.054 1.00 0.00 C ATOM 881 O CYS A 243 21.024 3.333 8.883 1.00 0.00 O ATOM 882 CB CYS A 243 19.044 0.981 7.745 1.00 0.00 C ATOM 883 SG CYS A 243 19.708 -0.684 7.421 1.00 0.00 S ATOM 0 H CYS A 243 17.686 2.693 8.883 1.00 0.00 H new ATOM 0 HA CYS A 243 19.413 0.751 9.850 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.957 0.948 7.671 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.396 1.659 6.967 1.00 0.00 H new ATOM 0 HG CYS A 243 18.729 -1.536 7.353 1.00 0.00 H new