USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 535 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 157 MET CE :methyl -143:sc= 0 (180deg=0) USER MOD Set 1.2: A 222 SER OG : rot -120:sc= 0.0348 USER MOD Set 2.1: A 216 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 223 SER OG : rot 180:sc= 0.00899 USER MOD Set 3.1: A 162 GLN : amide:sc= -0.654 K(o=-0.65,f=-4.6!) USER MOD Set 3.2: A 217 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 ASN : amide:sc= -1.38! C(o=-1.4!,f=-9.8!) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= -0.299 K(o=-0.3,f=-0.84) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 176 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.4) USER MOD Single : A 180 CYS SG : rot -143:sc= 0.16 USER MOD Single : A 181 THR OG1 : rot 180:sc= 0 USER MOD Single : A 190 SER OG : rot 180:sc= 0 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 193 CYS SG : rot 72:sc= -0.0752 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 TYR OH : rot -140:sc= -0.526 USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 SER OG : rot 180:sc= 0 USER MOD Single : A 201 HIS : no HD1:sc= 0.29 K(o=0.29,f=-1.1) USER MOD Single : A 205 GLN : amide:sc= -0.0578 X(o=-0.058,f=0) USER MOD Single : A 209 ASN : amide:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 212 HIS : no HE2:sc= -2.26 K(o=-2.3,f=-10!) USER MOD Single : A 214 SER OG : rot 166:sc= 0.162 USER MOD Single : A 215 GLN : amide:sc= -0.761 K(o=-0.76,f=-10!) USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 217 N LYS A 152 6.129 1.713 2.894 1.00 0.00 N ATOM 218 CA LYS A 152 4.778 2.228 2.703 1.00 0.00 C ATOM 219 C LYS A 152 4.095 1.541 1.525 1.00 0.00 C ATOM 220 O LYS A 152 4.757 0.973 0.655 1.00 0.00 O ATOM 221 CB LYS A 152 4.814 3.741 2.473 1.00 0.00 C ATOM 222 CG LYS A 152 3.574 4.462 2.972 1.00 0.00 C ATOM 223 CD LYS A 152 3.641 5.952 2.682 1.00 0.00 C ATOM 224 CE LYS A 152 2.887 6.758 3.729 1.00 0.00 C ATOM 225 NZ LYS A 152 3.707 6.986 4.950 1.00 0.00 N ATOM 0 HA LYS A 152 4.205 2.017 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.690 4.155 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 152 4.933 3.935 1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.689 4.037 2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 152 3.467 4.304 4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.683 6.272 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 152 3.221 6.151 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 152 2.592 7.718 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 152 1.970 6.234 4.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 3.158 7.539 5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 3.967 6.071 5.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 4.570 7.508 4.696 1.00 0.00 H new ATOM 239 N LEU A 153 2.768 1.596 1.502 1.00 0.00 N ATOM 240 CA LEU A 153 1.995 0.979 0.429 1.00 0.00 C ATOM 241 C LEU A 153 0.915 1.929 -0.079 1.00 0.00 C ATOM 242 O LEU A 153 0.048 2.362 0.680 1.00 0.00 O ATOM 243 CB LEU A 153 1.358 -0.323 0.917 1.00 0.00 C ATOM 244 CG LEU A 153 2.294 -1.527 1.031 1.00 0.00 C ATOM 245 CD1 LEU A 153 1.646 -2.630 1.853 1.00 0.00 C ATOM 246 CD2 LEU A 153 2.673 -2.041 -0.350 1.00 0.00 C ATOM 0 H LEU A 153 2.205 2.061 2.214 1.00 0.00 H new ATOM 0 HA LEU A 153 2.674 0.757 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 153 0.912 -0.141 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 153 0.545 -0.583 0.239 1.00 0.00 H new ATOM 0 HG LEU A 153 3.204 -1.209 1.540 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.326 -3.479 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.426 -2.257 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 153 0.720 -2.946 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.339 -2.898 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 153 1.773 -2.342 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.179 -1.252 -0.906 1.00 0.00 H new ATOM 258 N PHE A 154 0.972 2.246 -1.368 1.00 0.00 N ATOM 259 CA PHE A 154 -0.003 3.144 -1.978 1.00 0.00 C ATOM 260 C PHE A 154 -1.152 2.356 -2.600 1.00 0.00 C ATOM 261 O PHE A 154 -0.949 1.558 -3.515 1.00 0.00 O ATOM 262 CB PHE A 154 0.670 4.013 -3.042 1.00 0.00 C ATOM 263 CG PHE A 154 -0.304 4.760 -3.909 1.00 0.00 C ATOM 264 CD1 PHE A 154 -1.053 5.804 -3.391 1.00 0.00 C ATOM 265 CD2 PHE A 154 -0.469 4.417 -5.241 1.00 0.00 C ATOM 266 CE1 PHE A 154 -1.950 6.492 -4.186 1.00 0.00 C ATOM 267 CE2 PHE A 154 -1.365 5.102 -6.041 1.00 0.00 C ATOM 268 CZ PHE A 154 -2.105 6.141 -5.513 1.00 0.00 C ATOM 0 H PHE A 154 1.682 1.895 -2.010 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.408 3.787 -1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.330 4.728 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.296 3.382 -3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -0.935 6.083 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 154 0.108 3.606 -5.659 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -2.529 7.303 -3.770 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -1.486 4.825 -7.078 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.804 6.679 -6.137 1.00 0.00 H new ATOM 278 N VAL A 155 -2.360 2.586 -2.096 1.00 0.00 N ATOM 279 CA VAL A 155 -3.543 1.899 -2.601 1.00 0.00 C ATOM 280 C VAL A 155 -4.406 2.836 -3.439 1.00 0.00 C ATOM 281 O VAL A 155 -4.701 3.958 -3.030 1.00 0.00 O ATOM 282 CB VAL A 155 -4.394 1.326 -1.452 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.480 0.411 -1.997 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.513 0.588 -0.456 1.00 0.00 C ATOM 0 H VAL A 155 -2.545 3.243 -1.338 1.00 0.00 H new ATOM 0 HA VAL A 155 -3.190 1.078 -3.225 1.00 0.00 H new ATOM 0 HB VAL A 155 -4.877 2.153 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -6.071 0.016 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -6.127 0.975 -2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -5.021 -0.414 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -4.130 0.189 0.350 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -3.001 -0.231 -0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -2.776 1.276 -0.042 1.00 0.00 H new ATOM 294 N GLY A 156 -4.808 2.367 -4.617 1.00 0.00 N ATOM 295 CA GLY A 156 -5.634 3.175 -5.494 1.00 0.00 C ATOM 296 C GLY A 156 -6.853 2.426 -5.996 1.00 0.00 C ATOM 297 O GLY A 156 -7.223 1.390 -5.445 1.00 0.00 O ATOM 0 H GLY A 156 -4.576 1.442 -4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.955 4.070 -4.962 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -5.039 3.506 -6.345 1.00 0.00 H new ATOM 301 N MET A 157 -7.481 2.953 -7.042 1.00 0.00 N ATOM 302 CA MET A 157 -8.666 2.327 -7.617 1.00 0.00 C ATOM 303 C MET A 157 -9.581 1.789 -6.522 1.00 0.00 C ATOM 304 O MET A 157 -10.183 0.725 -6.670 1.00 0.00 O ATOM 305 CB MET A 157 -8.262 1.195 -8.563 1.00 0.00 C ATOM 306 CG MET A 157 -7.548 1.675 -9.816 1.00 0.00 C ATOM 307 SD MET A 157 -8.581 2.740 -10.840 1.00 0.00 S ATOM 308 CE MET A 157 -7.627 2.782 -12.355 1.00 0.00 C ATOM 0 H MET A 157 -7.189 3.812 -7.509 1.00 0.00 H new ATOM 0 HA MET A 157 -9.210 3.085 -8.181 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.614 0.500 -8.029 1.00 0.00 H new ATOM 0 HB3 MET A 157 -9.154 0.640 -8.853 1.00 0.00 H new ATOM 0 HG2 MET A 157 -6.646 2.216 -9.531 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.230 0.812 -10.401 1.00 0.00 H new ATOM 0 HE1 MET A 157 -7.690 3.776 -12.797 1.00 0.00 H new ATOM 0 HE2 MET A 157 -6.585 2.548 -12.136 1.00 0.00 H new ATOM 0 HE3 MET A 157 -8.024 2.048 -13.056 1.00 0.00 H new ATOM 318 N LEU A 158 -9.682 2.530 -5.424 1.00 0.00 N ATOM 319 CA LEU A 158 -10.524 2.127 -4.303 1.00 0.00 C ATOM 320 C LEU A 158 -11.965 2.580 -4.514 1.00 0.00 C ATOM 321 O LEU A 158 -12.268 3.295 -5.469 1.00 0.00 O ATOM 322 CB LEU A 158 -9.981 2.707 -2.996 1.00 0.00 C ATOM 323 CG LEU A 158 -8.646 2.140 -2.513 1.00 0.00 C ATOM 324 CD1 LEU A 158 -8.078 2.994 -1.391 1.00 0.00 C ATOM 325 CD2 LEU A 158 -8.814 0.698 -2.056 1.00 0.00 C ATOM 0 H LEU A 158 -9.191 3.413 -5.286 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.510 1.039 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.872 3.785 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.724 2.548 -2.215 1.00 0.00 H new ATOM 0 HG LEU A 158 -7.943 2.157 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.128 2.575 -1.060 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -7.920 4.011 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -8.778 3.010 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -7.854 0.310 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -9.533 0.657 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -9.176 0.093 -2.887 1.00 0.00 H new ATOM 337 N ASN A 159 -12.850 2.162 -3.615 1.00 0.00 N ATOM 338 CA ASN A 159 -14.259 2.526 -3.702 1.00 0.00 C ATOM 339 C ASN A 159 -14.615 3.578 -2.655 1.00 0.00 C ATOM 340 O ASN A 159 -14.007 3.636 -1.586 1.00 0.00 O ATOM 341 CB ASN A 159 -15.140 1.289 -3.518 1.00 0.00 C ATOM 342 CG ASN A 159 -16.606 1.578 -3.781 1.00 0.00 C ATOM 343 OD1 ASN A 159 -16.981 2.710 -4.086 1.00 0.00 O ATOM 344 ND2 ASN A 159 -17.441 0.553 -3.662 1.00 0.00 N ATOM 0 H ASN A 159 -12.616 1.571 -2.818 1.00 0.00 H new ATOM 0 HA ASN A 159 -14.439 2.948 -4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -14.801 0.502 -4.192 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -15.024 0.911 -2.502 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.439 0.686 -3.826 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.085 -0.368 -3.407 1.00 0.00 H new ATOM 351 N LYS A 160 -15.604 4.407 -2.970 1.00 0.00 N ATOM 352 CA LYS A 160 -16.043 5.456 -2.057 1.00 0.00 C ATOM 353 C LYS A 160 -17.083 4.923 -1.077 1.00 0.00 C ATOM 354 O LYS A 160 -17.947 5.665 -0.611 1.00 0.00 O ATOM 355 CB LYS A 160 -16.624 6.634 -2.843 1.00 0.00 C ATOM 356 CG LYS A 160 -15.602 7.351 -3.707 1.00 0.00 C ATOM 357 CD LYS A 160 -15.381 6.628 -5.025 1.00 0.00 C ATOM 358 CE LYS A 160 -14.310 7.311 -5.863 1.00 0.00 C ATOM 359 NZ LYS A 160 -14.171 6.682 -7.205 1.00 0.00 N ATOM 0 H LYS A 160 -16.117 4.373 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 160 -15.176 5.797 -1.491 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -17.434 6.273 -3.477 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -17.060 7.347 -2.143 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -15.939 8.369 -3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -14.657 7.425 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -15.089 5.596 -4.831 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -16.316 6.595 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -14.558 8.366 -5.980 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -13.355 7.265 -5.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -13.432 7.176 -7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -13.909 5.682 -7.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -15.075 6.749 -7.715 1.00 0.00 H new ATOM 373 N GLN A 161 -16.992 3.634 -0.767 1.00 0.00 N ATOM 374 CA GLN A 161 -17.925 3.003 0.159 1.00 0.00 C ATOM 375 C GLN A 161 -17.225 2.612 1.456 1.00 0.00 C ATOM 376 O GLN A 161 -17.647 3.006 2.543 1.00 0.00 O ATOM 377 CB GLN A 161 -18.559 1.769 -0.484 1.00 0.00 C ATOM 378 CG GLN A 161 -19.836 1.312 0.203 1.00 0.00 C ATOM 379 CD GLN A 161 -19.571 0.359 1.352 1.00 0.00 C ATOM 380 OE1 GLN A 161 -18.749 -0.550 1.243 1.00 0.00 O ATOM 381 NE2 GLN A 161 -20.270 0.563 2.464 1.00 0.00 N ATOM 0 H GLN A 161 -16.282 3.006 -1.143 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.708 3.724 0.393 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -18.777 1.986 -1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -17.837 0.952 -0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -20.376 2.183 0.575 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -20.482 0.824 -0.527 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -20.942 1.329 2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -20.135 -0.047 3.270 1.00 0.00 H new ATOM 390 N GLN A 162 -16.153 1.836 1.333 1.00 0.00 N ATOM 391 CA GLN A 162 -15.395 1.392 2.497 1.00 0.00 C ATOM 392 C GLN A 162 -14.676 2.563 3.158 1.00 0.00 C ATOM 393 O GLN A 162 -14.526 3.629 2.561 1.00 0.00 O ATOM 394 CB GLN A 162 -14.382 0.320 2.093 1.00 0.00 C ATOM 395 CG GLN A 162 -13.423 0.769 1.002 1.00 0.00 C ATOM 396 CD GLN A 162 -12.821 -0.395 0.239 1.00 0.00 C ATOM 397 OE1 GLN A 162 -13.437 -0.935 -0.680 1.00 0.00 O ATOM 398 NE2 GLN A 162 -11.610 -0.787 0.617 1.00 0.00 N ATOM 0 H GLN A 162 -15.790 1.502 0.440 1.00 0.00 H new ATOM 0 HA GLN A 162 -16.097 0.968 3.215 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -13.808 0.025 2.971 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -14.919 -0.565 1.752 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -13.950 1.421 0.306 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -12.622 1.359 1.448 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -11.136 -0.310 1.384 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -11.154 -1.565 0.140 1.00 0.00 H new ATOM 407 N SER A 163 -14.235 2.358 4.395 1.00 0.00 N ATOM 408 CA SER A 163 -13.536 3.399 5.140 1.00 0.00 C ATOM 409 C SER A 163 -12.240 2.861 5.740 1.00 0.00 C ATOM 410 O SER A 163 -11.917 1.683 5.588 1.00 0.00 O ATOM 411 CB SER A 163 -14.433 3.953 6.249 1.00 0.00 C ATOM 412 OG SER A 163 -15.510 4.699 5.708 1.00 0.00 O ATOM 0 H SER A 163 -14.349 1.481 4.903 1.00 0.00 H new ATOM 0 HA SER A 163 -13.289 4.203 4.447 1.00 0.00 H new ATOM 0 HB2 SER A 163 -14.821 3.132 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 163 -13.846 4.586 6.914 1.00 0.00 H new ATOM 0 HG SER A 163 -16.070 5.041 6.436 1.00 0.00 H new ATOM 418 N GLU A 164 -11.504 3.733 6.422 1.00 0.00 N ATOM 419 CA GLU A 164 -10.244 3.346 7.044 1.00 0.00 C ATOM 420 C GLU A 164 -10.397 2.039 7.818 1.00 0.00 C ATOM 421 O GLU A 164 -9.522 1.175 7.778 1.00 0.00 O ATOM 422 CB GLU A 164 -9.751 4.451 7.980 1.00 0.00 C ATOM 423 CG GLU A 164 -8.249 4.428 8.211 1.00 0.00 C ATOM 424 CD GLU A 164 -7.831 3.380 9.224 1.00 0.00 C ATOM 425 OE1 GLU A 164 -8.111 3.569 10.426 1.00 0.00 O ATOM 426 OE2 GLU A 164 -7.222 2.369 8.814 1.00 0.00 O ATOM 0 H GLU A 164 -11.759 4.711 6.557 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.510 3.195 6.253 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -10.031 5.419 7.565 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -10.259 4.356 8.940 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -7.743 4.236 7.265 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -7.923 5.410 8.554 1.00 0.00 H new ATOM 433 N ASP A 165 -11.516 1.904 8.521 1.00 0.00 N ATOM 434 CA ASP A 165 -11.786 0.704 9.305 1.00 0.00 C ATOM 435 C ASP A 165 -11.694 -0.545 8.434 1.00 0.00 C ATOM 436 O ASP A 165 -10.858 -1.418 8.670 1.00 0.00 O ATOM 437 CB ASP A 165 -13.171 0.790 9.949 1.00 0.00 C ATOM 438 CG ASP A 165 -14.202 1.406 9.024 1.00 0.00 C ATOM 439 OD1 ASP A 165 -14.255 2.651 8.937 1.00 0.00 O ATOM 440 OD2 ASP A 165 -14.957 0.642 8.385 1.00 0.00 O ATOM 0 H ASP A 165 -12.251 2.610 8.564 1.00 0.00 H new ATOM 0 HA ASP A 165 -11.033 0.635 10.090 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -13.497 -0.209 10.238 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -13.108 1.381 10.863 1.00 0.00 H new ATOM 445 N ASP A 166 -12.558 -0.625 7.428 1.00 0.00 N ATOM 446 CA ASP A 166 -12.574 -1.767 6.522 1.00 0.00 C ATOM 447 C ASP A 166 -11.162 -2.112 6.057 1.00 0.00 C ATOM 448 O ASP A 166 -10.705 -3.244 6.212 1.00 0.00 O ATOM 449 CB ASP A 166 -13.465 -1.475 5.314 1.00 0.00 C ATOM 450 CG ASP A 166 -14.900 -1.187 5.709 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.676 -2.152 5.865 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.246 0.003 5.862 1.00 0.00 O ATOM 0 H ASP A 166 -13.257 0.088 7.219 1.00 0.00 H new ATOM 0 HA ASP A 166 -12.978 -2.623 7.063 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -13.063 -0.621 4.768 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.442 -2.327 4.635 1.00 0.00 H new ATOM 457 N VAL A 167 -10.476 -1.127 5.486 1.00 0.00 N ATOM 458 CA VAL A 167 -9.116 -1.326 4.998 1.00 0.00 C ATOM 459 C VAL A 167 -8.193 -1.790 6.119 1.00 0.00 C ATOM 460 O VAL A 167 -7.342 -2.657 5.917 1.00 0.00 O ATOM 461 CB VAL A 167 -8.547 -0.035 4.381 1.00 0.00 C ATOM 462 CG1 VAL A 167 -7.111 -0.248 3.926 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.418 0.431 3.224 1.00 0.00 C ATOM 0 H VAL A 167 -10.839 -0.184 5.350 1.00 0.00 H new ATOM 0 HA VAL A 167 -9.165 -2.097 4.229 1.00 0.00 H new ATOM 0 HB VAL A 167 -8.549 0.743 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -6.726 0.675 3.493 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.497 -0.532 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -7.080 -1.040 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -9.001 1.344 2.800 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.450 -0.343 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.428 0.626 3.585 1.00 0.00 H new ATOM 473 N ARG A 168 -8.367 -1.209 7.301 1.00 0.00 N ATOM 474 CA ARG A 168 -7.548 -1.563 8.454 1.00 0.00 C ATOM 475 C ARG A 168 -7.559 -3.071 8.686 1.00 0.00 C ATOM 476 O ARG A 168 -6.522 -3.729 8.600 1.00 0.00 O ATOM 477 CB ARG A 168 -8.053 -0.840 9.705 1.00 0.00 C ATOM 478 CG ARG A 168 -6.959 -0.539 10.717 1.00 0.00 C ATOM 479 CD ARG A 168 -6.793 -1.676 11.713 1.00 0.00 C ATOM 480 NE ARG A 168 -7.905 -1.744 12.657 1.00 0.00 N ATOM 481 CZ ARG A 168 -7.881 -2.469 13.769 1.00 0.00 C ATOM 482 NH1 ARG A 168 -6.807 -3.185 14.075 1.00 0.00 N ATOM 483 NH2 ARG A 168 -8.932 -2.480 14.578 1.00 0.00 N ATOM 0 H ARG A 168 -9.068 -0.491 7.486 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.523 -1.252 8.251 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -8.528 0.095 9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -8.820 -1.450 10.182 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -6.017 -0.370 10.196 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -7.198 0.381 11.250 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -6.716 -2.621 11.175 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -5.860 -1.544 12.261 1.00 0.00 H new ATOM 0 HE ARG A 168 -8.746 -1.205 12.451 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -5.997 -3.179 13.455 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -6.791 -3.741 14.930 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -9.760 -1.931 14.346 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -8.912 -3.037 15.432 1.00 0.00 H new ATOM 497 N ARG A 169 -8.737 -3.611 8.980 1.00 0.00 N ATOM 498 CA ARG A 169 -8.881 -5.041 9.226 1.00 0.00 C ATOM 499 C ARG A 169 -8.437 -5.849 8.010 1.00 0.00 C ATOM 500 O ARG A 169 -7.582 -6.730 8.115 1.00 0.00 O ATOM 501 CB ARG A 169 -10.333 -5.376 9.572 1.00 0.00 C ATOM 502 CG ARG A 169 -10.787 -4.810 10.908 1.00 0.00 C ATOM 503 CD ARG A 169 -10.329 -5.681 12.067 1.00 0.00 C ATOM 504 NE ARG A 169 -11.273 -6.760 12.347 1.00 0.00 N ATOM 505 CZ ARG A 169 -11.262 -7.474 13.467 1.00 0.00 C ATOM 506 NH1 ARG A 169 -10.361 -7.225 14.407 1.00 0.00 N ATOM 507 NH2 ARG A 169 -12.154 -8.439 13.648 1.00 0.00 N ATOM 0 H ARG A 169 -9.605 -3.080 9.054 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.243 -5.306 10.069 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -10.983 -4.993 8.785 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.454 -6.459 9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -10.391 -3.802 11.031 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -11.874 -4.729 10.920 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -9.351 -6.105 11.838 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -10.208 -5.065 12.958 1.00 0.00 H new ATOM 0 HE ARG A 169 -11.979 -6.977 11.644 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -9.674 -6.484 14.271 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -10.355 -7.775 15.266 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -12.849 -8.633 12.927 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -12.145 -8.987 14.508 1.00 0.00 H new ATOM 521 N LEU A 170 -9.024 -5.545 6.858 1.00 0.00 N ATOM 522 CA LEU A 170 -8.690 -6.243 5.621 1.00 0.00 C ATOM 523 C LEU A 170 -7.183 -6.442 5.499 1.00 0.00 C ATOM 524 O LEU A 170 -6.690 -7.570 5.534 1.00 0.00 O ATOM 525 CB LEU A 170 -9.213 -5.462 4.414 1.00 0.00 C ATOM 526 CG LEU A 170 -9.351 -6.252 3.112 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.625 -7.083 3.124 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.335 -5.313 1.915 1.00 0.00 C ATOM 0 H LEU A 170 -9.734 -4.820 6.754 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.167 -7.223 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.188 -5.048 4.669 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.546 -4.619 4.235 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.501 -6.930 3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.706 -7.638 2.189 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.596 -7.782 3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.487 -6.425 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.434 -5.892 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.165 -4.611 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.394 -4.763 1.897 1.00 0.00 H new ATOM 540 N PHE A 171 -6.455 -5.339 5.356 1.00 0.00 N ATOM 541 CA PHE A 171 -5.003 -5.392 5.230 1.00 0.00 C ATOM 542 C PHE A 171 -4.389 -6.222 6.354 1.00 0.00 C ATOM 543 O PHE A 171 -3.914 -7.335 6.129 1.00 0.00 O ATOM 544 CB PHE A 171 -4.417 -3.979 5.245 1.00 0.00 C ATOM 545 CG PHE A 171 -4.516 -3.275 3.922 1.00 0.00 C ATOM 546 CD1 PHE A 171 -5.753 -2.967 3.377 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.374 -2.919 3.224 1.00 0.00 C ATOM 548 CE1 PHE A 171 -5.847 -2.320 2.160 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.462 -2.271 2.006 1.00 0.00 C ATOM 550 CZ PHE A 171 -4.700 -1.970 1.474 1.00 0.00 C ATOM 0 H PHE A 171 -6.847 -4.398 5.325 1.00 0.00 H new ATOM 0 HA PHE A 171 -4.763 -5.867 4.279 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -4.933 -3.388 6.001 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.370 -4.032 5.542 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.653 -3.236 3.910 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.403 -3.150 3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.817 -2.088 1.745 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.563 -2.001 1.471 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.772 -1.462 0.524 1.00 0.00 H new ATOM 560 N GLU A 172 -4.403 -5.671 7.563 1.00 0.00 N ATOM 561 CA GLU A 172 -3.847 -6.360 8.722 1.00 0.00 C ATOM 562 C GLU A 172 -4.226 -7.838 8.711 1.00 0.00 C ATOM 563 O GLU A 172 -3.473 -8.686 9.187 1.00 0.00 O ATOM 564 CB GLU A 172 -4.337 -5.706 10.016 1.00 0.00 C ATOM 565 CG GLU A 172 -5.627 -6.306 10.550 1.00 0.00 C ATOM 566 CD GLU A 172 -5.998 -5.767 11.918 1.00 0.00 C ATOM 567 OE1 GLU A 172 -6.144 -4.534 12.051 1.00 0.00 O ATOM 568 OE2 GLU A 172 -6.143 -6.580 12.855 1.00 0.00 O ATOM 0 H GLU A 172 -4.793 -4.750 7.766 1.00 0.00 H new ATOM 0 HA GLU A 172 -2.761 -6.281 8.672 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.561 -5.798 10.776 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.487 -4.641 9.841 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.437 -6.099 9.850 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -5.523 -7.390 10.606 1.00 0.00 H new ATOM 575 N ALA A 173 -5.399 -8.137 8.164 1.00 0.00 N ATOM 576 CA ALA A 173 -5.879 -9.512 8.088 1.00 0.00 C ATOM 577 C ALA A 173 -4.751 -10.466 7.710 1.00 0.00 C ATOM 578 O ALA A 173 -4.805 -11.658 8.014 1.00 0.00 O ATOM 579 CB ALA A 173 -7.021 -9.618 7.089 1.00 0.00 C ATOM 0 H ALA A 173 -6.035 -7.446 7.767 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.247 -9.798 9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.369 -10.650 7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -7.841 -8.972 7.404 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.673 -9.308 6.104 1.00 0.00 H new ATOM 585 N PHE A 174 -3.731 -9.935 7.044 1.00 0.00 N ATOM 586 CA PHE A 174 -2.591 -10.741 6.622 1.00 0.00 C ATOM 587 C PHE A 174 -1.323 -10.313 7.354 1.00 0.00 C ATOM 588 O PHE A 174 -0.831 -11.021 8.232 1.00 0.00 O ATOM 589 CB PHE A 174 -2.387 -10.622 5.110 1.00 0.00 C ATOM 590 CG PHE A 174 -3.582 -11.051 4.308 1.00 0.00 C ATOM 591 CD1 PHE A 174 -4.595 -10.152 4.016 1.00 0.00 C ATOM 592 CD2 PHE A 174 -3.692 -12.352 3.846 1.00 0.00 C ATOM 593 CE1 PHE A 174 -5.696 -10.544 3.277 1.00 0.00 C ATOM 594 CE2 PHE A 174 -4.790 -12.749 3.107 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.794 -11.844 2.823 1.00 0.00 C ATOM 0 H PHE A 174 -3.670 -8.950 6.785 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.800 -11.781 6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -2.147 -9.588 4.864 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.528 -11.226 4.819 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -4.524 -9.134 4.369 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -2.911 -13.064 4.066 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -6.479 -9.834 3.055 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -4.863 -13.766 2.752 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.654 -12.153 2.247 1.00 0.00 H new ATOM 605 N GLY A 175 -0.797 -9.150 6.984 1.00 0.00 N ATOM 606 CA GLY A 175 0.410 -8.647 7.614 1.00 0.00 C ATOM 607 C GLY A 175 0.130 -7.520 8.588 1.00 0.00 C ATOM 608 O GLY A 175 -0.628 -6.601 8.282 1.00 0.00 O ATOM 0 H GLY A 175 -1.185 -8.547 6.259 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.908 -9.462 8.140 1.00 0.00 H new ATOM 0 HA3 GLY A 175 1.098 -8.296 6.845 1.00 0.00 H new ATOM 612 N ASN A 176 0.742 -7.592 9.766 1.00 0.00 N ATOM 613 CA ASN A 176 0.552 -6.571 10.789 1.00 0.00 C ATOM 614 C ASN A 176 0.742 -5.174 10.206 1.00 0.00 C ATOM 615 O ASN A 176 1.518 -4.982 9.269 1.00 0.00 O ATOM 616 CB ASN A 176 1.530 -6.790 11.945 1.00 0.00 C ATOM 617 CG ASN A 176 1.038 -7.835 12.928 1.00 0.00 C ATOM 618 OD1 ASN A 176 0.010 -8.476 12.707 1.00 0.00 O ATOM 619 ND2 ASN A 176 1.773 -8.012 14.020 1.00 0.00 N ATOM 0 H ASN A 176 1.373 -8.347 10.035 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.468 -6.653 11.164 1.00 0.00 H new ATOM 0 HB2 ASN A 176 2.497 -7.097 11.546 1.00 0.00 H new ATOM 0 HB3 ASN A 176 1.686 -5.847 12.469 1.00 0.00 H new ATOM 0 HD21 ASN A 176 1.493 -8.702 14.717 1.00 0.00 H new ATOM 0 HD22 ASN A 176 2.618 -7.458 14.162 1.00 0.00 H new ATOM 626 N ILE A 177 0.028 -4.203 10.765 1.00 0.00 N ATOM 627 CA ILE A 177 0.119 -2.824 10.302 1.00 0.00 C ATOM 628 C ILE A 177 0.726 -1.923 11.372 1.00 0.00 C ATOM 629 O ILE A 177 0.573 -2.174 12.567 1.00 0.00 O ATOM 630 CB ILE A 177 -1.262 -2.271 9.904 1.00 0.00 C ATOM 631 CG1 ILE A 177 -1.738 -2.917 8.601 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.206 -0.757 9.762 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.167 -2.574 8.244 1.00 0.00 C ATOM 0 H ILE A 177 -0.620 -4.346 11.540 1.00 0.00 H new ATOM 0 HA ILE A 177 0.766 -2.828 9.425 1.00 0.00 H new ATOM 0 HB ILE A 177 -1.976 -2.516 10.691 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.083 -2.602 7.788 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -1.643 -4.000 8.686 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.190 -0.381 9.480 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -0.906 -0.313 10.711 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.482 -0.490 8.992 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.437 -3.066 7.309 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -3.832 -2.914 9.038 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.264 -1.495 8.127 1.00 0.00 H new ATOM 645 N GLU A 178 1.414 -0.873 10.934 1.00 0.00 N ATOM 646 CA GLU A 178 2.042 0.066 11.856 1.00 0.00 C ATOM 647 C GLU A 178 1.443 1.461 11.705 1.00 0.00 C ATOM 648 O GLU A 178 1.463 2.260 12.640 1.00 0.00 O ATOM 649 CB GLU A 178 3.552 0.119 11.614 1.00 0.00 C ATOM 650 CG GLU A 178 4.326 -0.958 12.356 1.00 0.00 C ATOM 651 CD GLU A 178 5.777 -0.580 12.585 1.00 0.00 C ATOM 652 OE1 GLU A 178 6.603 -0.828 11.682 1.00 0.00 O ATOM 653 OE2 GLU A 178 6.086 -0.038 13.667 1.00 0.00 O ATOM 0 H GLU A 178 1.550 -0.652 9.948 1.00 0.00 H new ATOM 0 HA GLU A 178 1.855 -0.282 12.872 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.744 0.021 10.545 1.00 0.00 H new ATOM 0 HB3 GLU A 178 3.926 1.097 11.917 1.00 0.00 H new ATOM 0 HG2 GLU A 178 3.848 -1.147 13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 178 4.282 -1.888 11.789 1.00 0.00 H new ATOM 660 N GLU A 179 0.911 1.745 10.520 1.00 0.00 N ATOM 661 CA GLU A 179 0.307 3.043 10.246 1.00 0.00 C ATOM 662 C GLU A 179 -0.672 2.953 9.078 1.00 0.00 C ATOM 663 O GLU A 179 -0.615 2.018 8.278 1.00 0.00 O ATOM 664 CB GLU A 179 1.390 4.080 9.939 1.00 0.00 C ATOM 665 CG GLU A 179 1.897 4.813 11.170 1.00 0.00 C ATOM 666 CD GLU A 179 0.780 5.466 11.961 1.00 0.00 C ATOM 667 OE1 GLU A 179 -0.017 6.213 11.356 1.00 0.00 O ATOM 668 OE2 GLU A 179 0.703 5.231 13.185 1.00 0.00 O ATOM 0 H GLU A 179 0.886 1.094 9.735 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.242 3.354 11.135 1.00 0.00 H new ATOM 0 HB2 GLU A 179 2.229 3.584 9.451 1.00 0.00 H new ATOM 0 HB3 GLU A 179 0.994 4.808 9.230 1.00 0.00 H new ATOM 0 HG2 GLU A 179 2.430 4.112 11.812 1.00 0.00 H new ATOM 0 HG3 GLU A 179 2.615 5.575 10.865 1.00 0.00 H new ATOM 675 N CYS A 180 -1.567 3.930 8.988 1.00 0.00 N ATOM 676 CA CYS A 180 -2.560 3.960 7.919 1.00 0.00 C ATOM 677 C CYS A 180 -3.162 5.354 7.777 1.00 0.00 C ATOM 678 O CYS A 180 -3.395 6.047 8.769 1.00 0.00 O ATOM 679 CB CYS A 180 -3.665 2.939 8.192 1.00 0.00 C ATOM 680 SG CYS A 180 -4.650 2.511 6.737 1.00 0.00 S ATOM 0 H CYS A 180 -1.626 4.711 9.641 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.061 3.702 6.985 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -3.215 2.031 8.593 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -4.327 3.333 8.963 1.00 0.00 H new ATOM 0 HG CYS A 180 -5.889 2.333 7.089 1.00 0.00 H new ATOM 686 N THR A 181 -3.412 5.762 6.537 1.00 0.00 N ATOM 687 CA THR A 181 -3.985 7.074 6.264 1.00 0.00 C ATOM 688 C THR A 181 -4.856 7.044 5.013 1.00 0.00 C ATOM 689 O THR A 181 -4.512 6.403 4.021 1.00 0.00 O ATOM 690 CB THR A 181 -2.887 8.140 6.085 1.00 0.00 C ATOM 691 OG1 THR A 181 -2.094 8.231 7.274 1.00 0.00 O ATOM 692 CG2 THR A 181 -3.497 9.498 5.771 1.00 0.00 C ATOM 0 H THR A 181 -3.226 5.202 5.705 1.00 0.00 H new ATOM 0 HA THR A 181 -4.599 7.336 7.125 1.00 0.00 H new ATOM 0 HB THR A 181 -2.255 7.841 5.249 1.00 0.00 H new ATOM 0 HG1 THR A 181 -1.397 8.909 7.152 1.00 0.00 H new ATOM 0 HG21 THR A 181 -2.703 10.234 5.649 1.00 0.00 H new ATOM 0 HG22 THR A 181 -4.076 9.433 4.850 1.00 0.00 H new ATOM 0 HG23 THR A 181 -4.150 9.801 6.589 1.00 0.00 H new ATOM 700 N ILE A 182 -5.985 7.743 5.068 1.00 0.00 N ATOM 701 CA ILE A 182 -6.905 7.797 3.939 1.00 0.00 C ATOM 702 C ILE A 182 -6.767 9.113 3.180 1.00 0.00 C ATOM 703 O ILE A 182 -6.985 10.189 3.738 1.00 0.00 O ATOM 704 CB ILE A 182 -8.367 7.631 4.395 1.00 0.00 C ATOM 705 CG1 ILE A 182 -8.552 6.291 5.108 1.00 0.00 C ATOM 706 CG2 ILE A 182 -9.308 7.739 3.204 1.00 0.00 C ATOM 707 CD1 ILE A 182 -8.279 5.093 4.225 1.00 0.00 C ATOM 0 H ILE A 182 -6.284 8.280 5.882 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.643 6.970 3.279 1.00 0.00 H new ATOM 0 HB ILE A 182 -8.607 8.430 5.096 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.889 6.254 5.972 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -9.572 6.228 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -10.337 7.620 3.542 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -9.191 8.716 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -9.071 6.959 2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.430 4.177 4.797 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.960 5.106 3.374 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -7.250 5.132 3.867 1.00 0.00 H new ATOM 719 N LEU A 183 -6.405 9.019 1.906 1.00 0.00 N ATOM 720 CA LEU A 183 -6.239 10.202 1.069 1.00 0.00 C ATOM 721 C LEU A 183 -7.587 10.702 0.559 1.00 0.00 C ATOM 722 O LEU A 183 -8.308 9.980 -0.131 1.00 0.00 O ATOM 723 CB LEU A 183 -5.319 9.890 -0.113 1.00 0.00 C ATOM 724 CG LEU A 183 -3.881 9.507 0.240 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.220 8.784 -0.924 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.079 10.741 0.627 1.00 0.00 C ATOM 0 H LEU A 183 -6.221 8.136 1.430 1.00 0.00 H new ATOM 0 HA LEU A 183 -5.787 10.986 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -5.761 9.075 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.292 10.762 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 183 -3.906 8.831 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.198 8.519 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -3.780 7.878 -1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.208 9.436 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.059 10.449 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.063 11.441 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -3.540 11.218 1.492 1.00 0.00 H new ATOM 816 N SER A 190 -12.745 11.877 -0.232 1.00 0.00 N ATOM 817 CA SER A 190 -12.135 10.597 -0.571 1.00 0.00 C ATOM 818 C SER A 190 -11.750 10.553 -2.047 1.00 0.00 C ATOM 819 O SER A 190 -12.547 10.897 -2.920 1.00 0.00 O ATOM 820 CB SER A 190 -13.094 9.450 -0.249 1.00 0.00 C ATOM 821 OG SER A 190 -12.741 8.275 -0.958 1.00 0.00 O ATOM 0 HA SER A 190 -11.231 10.484 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 190 -13.080 9.250 0.822 1.00 0.00 H new ATOM 0 HB3 SER A 190 -14.113 9.741 -0.505 1.00 0.00 H new ATOM 0 HG SER A 190 -13.368 7.556 -0.733 1.00 0.00 H new ATOM 827 N LYS A 191 -10.521 10.128 -2.318 1.00 0.00 N ATOM 828 CA LYS A 191 -10.027 10.036 -3.687 1.00 0.00 C ATOM 829 C LYS A 191 -9.706 8.591 -4.055 1.00 0.00 C ATOM 830 O LYS A 191 -8.770 8.324 -4.806 1.00 0.00 O ATOM 831 CB LYS A 191 -8.779 10.906 -3.860 1.00 0.00 C ATOM 832 CG LYS A 191 -9.072 12.396 -3.860 1.00 0.00 C ATOM 833 CD LYS A 191 -9.537 12.873 -5.227 1.00 0.00 C ATOM 834 CE LYS A 191 -10.247 14.215 -5.137 1.00 0.00 C ATOM 835 NZ LYS A 191 -11.266 14.376 -6.211 1.00 0.00 N ATOM 0 H LYS A 191 -9.848 9.841 -1.607 1.00 0.00 H new ATOM 0 HA LYS A 191 -10.810 10.397 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -8.076 10.682 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.288 10.641 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -9.838 12.617 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -8.176 12.944 -3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -8.680 12.958 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -10.209 12.133 -5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -10.728 14.307 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -9.514 15.019 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -11.728 15.303 -6.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -10.804 14.314 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -11.979 13.624 -6.128 1.00 0.00 H new ATOM 849 N GLY A 192 -10.492 7.661 -3.520 1.00 0.00 N ATOM 850 CA GLY A 192 -10.277 6.254 -3.805 1.00 0.00 C ATOM 851 C GLY A 192 -8.824 5.848 -3.653 1.00 0.00 C ATOM 852 O GLY A 192 -8.324 5.012 -4.407 1.00 0.00 O ATOM 0 H GLY A 192 -11.274 7.857 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.891 5.653 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.607 6.037 -4.821 1.00 0.00 H new ATOM 856 N CYS A 193 -8.145 6.441 -2.678 1.00 0.00 N ATOM 857 CA CYS A 193 -6.739 6.138 -2.431 1.00 0.00 C ATOM 858 C CYS A 193 -6.407 6.267 -0.948 1.00 0.00 C ATOM 859 O CYS A 193 -7.023 7.056 -0.231 1.00 0.00 O ATOM 860 CB CYS A 193 -5.844 7.069 -3.250 1.00 0.00 C ATOM 861 SG CYS A 193 -6.066 6.922 -5.039 1.00 0.00 S ATOM 0 H CYS A 193 -8.544 7.134 -2.045 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.556 5.108 -2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -6.042 8.099 -2.954 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -4.802 6.862 -3.006 1.00 0.00 H new ATOM 0 HG CYS A 193 -7.206 7.447 -5.379 1.00 0.00 H new ATOM 867 N ALA A 194 -5.432 5.487 -0.495 1.00 0.00 N ATOM 868 CA ALA A 194 -5.018 5.515 0.902 1.00 0.00 C ATOM 869 C ALA A 194 -3.624 4.920 1.074 1.00 0.00 C ATOM 870 O ALA A 194 -3.199 4.072 0.289 1.00 0.00 O ATOM 871 CB ALA A 194 -6.023 4.767 1.765 1.00 0.00 C ATOM 0 H ALA A 194 -4.914 4.827 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 194 -4.982 6.556 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.701 4.796 2.806 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -7.002 5.238 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -6.087 3.731 1.434 1.00 0.00 H new ATOM 877 N PHE A 195 -2.916 5.371 2.104 1.00 0.00 N ATOM 878 CA PHE A 195 -1.569 4.885 2.378 1.00 0.00 C ATOM 879 C PHE A 195 -1.577 3.875 3.522 1.00 0.00 C ATOM 880 O PHE A 195 -2.256 4.068 4.530 1.00 0.00 O ATOM 881 CB PHE A 195 -0.642 6.053 2.720 1.00 0.00 C ATOM 882 CG PHE A 195 -0.191 6.832 1.518 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.456 6.199 0.468 1.00 0.00 C ATOM 884 CD2 PHE A 195 -0.413 8.197 1.437 1.00 0.00 C ATOM 885 CE1 PHE A 195 0.873 6.914 -0.639 1.00 0.00 C ATOM 886 CE2 PHE A 195 0.002 8.918 0.332 1.00 0.00 C ATOM 887 CZ PHE A 195 0.645 8.275 -0.707 1.00 0.00 C ATOM 0 H PHE A 195 -3.253 6.073 2.763 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.200 4.388 1.481 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -1.156 6.725 3.407 1.00 0.00 H new ATOM 0 HB3 PHE A 195 0.234 5.670 3.244 1.00 0.00 H new ATOM 0 HD1 PHE A 195 0.636 5.135 0.515 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -0.916 8.704 2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 195 1.377 6.409 -1.450 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -0.177 9.982 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.969 8.835 -1.572 1.00 0.00 H new ATOM 897 N VAL A 196 -0.818 2.797 3.356 1.00 0.00 N ATOM 898 CA VAL A 196 -0.736 1.756 4.374 1.00 0.00 C ATOM 899 C VAL A 196 0.714 1.458 4.740 1.00 0.00 C ATOM 900 O VAL A 196 1.603 1.505 3.890 1.00 0.00 O ATOM 901 CB VAL A 196 -1.413 0.456 3.903 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.336 -0.610 4.986 1.00 0.00 C ATOM 903 CG2 VAL A 196 -2.858 0.721 3.507 1.00 0.00 C ATOM 0 H VAL A 196 -0.251 2.621 2.526 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.260 2.131 5.253 1.00 0.00 H new ATOM 0 HB VAL A 196 -0.881 0.088 3.026 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -1.820 -1.521 4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.292 -0.819 5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -1.842 -0.254 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.321 -0.209 3.177 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.404 1.114 4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -2.885 1.448 2.696 1.00 0.00 H new ATOM 913 N LYS A 197 0.946 1.149 6.011 1.00 0.00 N ATOM 914 CA LYS A 197 2.287 0.841 6.492 1.00 0.00 C ATOM 915 C LYS A 197 2.323 -0.528 7.164 1.00 0.00 C ATOM 916 O LYS A 197 1.416 -0.885 7.916 1.00 0.00 O ATOM 917 CB LYS A 197 2.760 1.915 7.474 1.00 0.00 C ATOM 918 CG LYS A 197 4.138 1.646 8.053 1.00 0.00 C ATOM 919 CD LYS A 197 4.529 2.701 9.075 1.00 0.00 C ATOM 920 CE LYS A 197 6.039 2.845 9.177 1.00 0.00 C ATOM 921 NZ LYS A 197 6.441 3.653 10.361 1.00 0.00 N ATOM 0 H LYS A 197 0.221 1.105 6.727 1.00 0.00 H new ATOM 0 HA LYS A 197 2.958 0.823 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 197 2.770 2.880 6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 197 2.041 1.991 8.290 1.00 0.00 H new ATOM 0 HG2 LYS A 197 4.151 0.662 8.521 1.00 0.00 H new ATOM 0 HG3 LYS A 197 4.874 1.626 7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 197 4.089 3.659 8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 197 4.121 2.434 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 197 6.494 1.857 9.240 1.00 0.00 H new ATOM 0 HE3 LYS A 197 6.421 3.314 8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 7.478 3.728 10.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 6.028 4.605 10.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 6.099 3.192 11.228 1.00 0.00 H new ATOM 935 N TYR A 198 3.376 -1.290 6.889 1.00 0.00 N ATOM 936 CA TYR A 198 3.530 -2.620 7.466 1.00 0.00 C ATOM 937 C TYR A 198 4.783 -2.696 8.333 1.00 0.00 C ATOM 938 O TYR A 198 5.577 -1.757 8.380 1.00 0.00 O ATOM 939 CB TYR A 198 3.596 -3.674 6.360 1.00 0.00 C ATOM 940 CG TYR A 198 2.238 -4.113 5.859 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.446 -3.259 5.101 1.00 0.00 C ATOM 942 CD2 TYR A 198 1.748 -5.382 6.144 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.205 -3.656 4.643 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.508 -5.787 5.688 1.00 0.00 C ATOM 945 CZ TYR A 198 -0.260 -4.921 4.939 1.00 0.00 C ATOM 946 OH TYR A 198 -1.495 -5.320 4.482 1.00 0.00 O ATOM 0 H TYR A 198 4.136 -1.009 6.270 1.00 0.00 H new ATOM 0 HA TYR A 198 2.663 -2.818 8.096 1.00 0.00 H new ATOM 0 HB2 TYR A 198 4.171 -3.276 5.524 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.136 -4.545 6.732 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.807 -2.269 4.866 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.346 -6.063 6.732 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.399 -2.980 4.056 1.00 0.00 H new ATOM 0 HE2 TYR A 198 0.142 -6.777 5.917 1.00 0.00 H new ATOM 0 HH TYR A 198 -1.950 -5.837 5.179 1.00 0.00 H new ATOM 956 N SER A 199 4.953 -3.823 9.017 1.00 0.00 N ATOM 957 CA SER A 199 6.107 -4.023 9.885 1.00 0.00 C ATOM 958 C SER A 199 7.328 -4.451 9.076 1.00 0.00 C ATOM 959 O SER A 199 8.420 -3.909 9.245 1.00 0.00 O ATOM 960 CB SER A 199 5.794 -5.075 10.951 1.00 0.00 C ATOM 961 OG SER A 199 6.910 -5.292 11.797 1.00 0.00 O ATOM 0 H SER A 199 4.306 -4.611 8.987 1.00 0.00 H new ATOM 0 HA SER A 199 6.331 -3.075 10.374 1.00 0.00 H new ATOM 0 HB2 SER A 199 4.940 -4.751 11.546 1.00 0.00 H new ATOM 0 HB3 SER A 199 5.511 -6.011 10.470 1.00 0.00 H new ATOM 0 HG SER A 199 6.684 -5.967 12.470 1.00 0.00 H new ATOM 967 N SER A 200 7.134 -5.429 8.197 1.00 0.00 N ATOM 968 CA SER A 200 8.219 -5.934 7.363 1.00 0.00 C ATOM 969 C SER A 200 7.778 -6.047 5.907 1.00 0.00 C ATOM 970 O SER A 200 6.591 -6.205 5.616 1.00 0.00 O ATOM 971 CB SER A 200 8.690 -7.297 7.873 1.00 0.00 C ATOM 972 OG SER A 200 10.022 -7.560 7.469 1.00 0.00 O ATOM 0 H SER A 200 6.236 -5.888 8.044 1.00 0.00 H new ATOM 0 HA SER A 200 9.047 -5.227 7.419 1.00 0.00 H new ATOM 0 HB2 SER A 200 8.624 -7.324 8.961 1.00 0.00 H new ATOM 0 HB3 SER A 200 8.031 -8.078 7.494 1.00 0.00 H new ATOM 0 HG SER A 200 10.300 -8.436 7.809 1.00 0.00 H new ATOM 978 N HIS A 201 8.741 -5.967 4.995 1.00 0.00 N ATOM 979 CA HIS A 201 8.454 -6.061 3.568 1.00 0.00 C ATOM 980 C HIS A 201 7.645 -7.317 3.259 1.00 0.00 C ATOM 981 O HIS A 201 6.521 -7.237 2.765 1.00 0.00 O ATOM 982 CB HIS A 201 9.754 -6.066 2.764 1.00 0.00 C ATOM 983 CG HIS A 201 9.542 -6.164 1.284 1.00 0.00 C ATOM 984 ND1 HIS A 201 10.059 -7.186 0.516 1.00 0.00 N ATOM 985 CD2 HIS A 201 8.863 -5.361 0.432 1.00 0.00 C ATOM 986 CE1 HIS A 201 9.709 -7.006 -0.745 1.00 0.00 C ATOM 987 NE2 HIS A 201 8.982 -5.906 -0.823 1.00 0.00 N ATOM 0 H HIS A 201 9.728 -5.837 5.219 1.00 0.00 H new ATOM 0 HA HIS A 201 7.863 -5.190 3.283 1.00 0.00 H new ATOM 0 HB2 HIS A 201 10.311 -5.155 2.984 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.371 -6.903 3.091 1.00 0.00 H new ATOM 0 HD2 HIS A 201 8.327 -4.460 0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 201 9.973 -7.649 -1.572 1.00 0.00 H new ATOM 0 HE2 HIS A 201 8.575 -5.523 -1.677 1.00 0.00 H new ATOM 995 N ALA A 202 8.226 -8.476 3.552 1.00 0.00 N ATOM 996 CA ALA A 202 7.558 -9.748 3.307 1.00 0.00 C ATOM 997 C ALA A 202 6.053 -9.629 3.518 1.00 0.00 C ATOM 998 O ALA A 202 5.270 -9.820 2.588 1.00 0.00 O ATOM 999 CB ALA A 202 8.136 -10.830 4.208 1.00 0.00 C ATOM 0 H ALA A 202 9.157 -8.560 3.959 1.00 0.00 H new ATOM 0 HA ALA A 202 7.731 -10.026 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.628 -11.775 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 202 9.201 -10.942 4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 202 7.994 -10.549 5.251 1.00 0.00 H new ATOM 1005 N GLU A 203 5.656 -9.312 4.746 1.00 0.00 N ATOM 1006 CA GLU A 203 4.243 -9.169 5.079 1.00 0.00 C ATOM 1007 C GLU A 203 3.524 -8.313 4.040 1.00 0.00 C ATOM 1008 O GLU A 203 2.417 -8.638 3.611 1.00 0.00 O ATOM 1009 CB GLU A 203 4.084 -8.546 6.467 1.00 0.00 C ATOM 1010 CG GLU A 203 4.174 -9.555 7.600 1.00 0.00 C ATOM 1011 CD GLU A 203 3.383 -10.818 7.321 1.00 0.00 C ATOM 1012 OE1 GLU A 203 2.232 -10.705 6.850 1.00 0.00 O ATOM 1013 OE2 GLU A 203 3.915 -11.919 7.574 1.00 0.00 O ATOM 0 H GLU A 203 6.292 -9.149 5.527 1.00 0.00 H new ATOM 0 HA GLU A 203 3.794 -10.162 5.081 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.854 -7.787 6.606 1.00 0.00 H new ATOM 0 HB3 GLU A 203 3.121 -8.038 6.520 1.00 0.00 H new ATOM 0 HG2 GLU A 203 5.219 -9.815 7.768 1.00 0.00 H new ATOM 0 HG3 GLU A 203 3.808 -9.097 8.519 1.00 0.00 H new ATOM 1020 N ALA A 204 4.162 -7.217 3.641 1.00 0.00 N ATOM 1021 CA ALA A 204 3.584 -6.315 2.652 1.00 0.00 C ATOM 1022 C ALA A 204 3.282 -7.049 1.350 1.00 0.00 C ATOM 1023 O ALA A 204 2.152 -7.027 0.863 1.00 0.00 O ATOM 1024 CB ALA A 204 4.522 -5.145 2.395 1.00 0.00 C ATOM 0 H ALA A 204 5.078 -6.933 3.987 1.00 0.00 H new ATOM 0 HA ALA A 204 2.644 -5.933 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 204 4.079 -4.479 1.655 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.685 -4.598 3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.476 -5.518 2.022 1.00 0.00 H new ATOM 1030 N GLN A 205 4.299 -7.696 0.791 1.00 0.00 N ATOM 1031 CA GLN A 205 4.141 -8.435 -0.456 1.00 0.00 C ATOM 1032 C GLN A 205 2.941 -9.374 -0.384 1.00 0.00 C ATOM 1033 O GLN A 205 2.160 -9.472 -1.330 1.00 0.00 O ATOM 1034 CB GLN A 205 5.409 -9.233 -0.766 1.00 0.00 C ATOM 1035 CG GLN A 205 5.376 -9.929 -2.117 1.00 0.00 C ATOM 1036 CD GLN A 205 5.879 -9.045 -3.241 1.00 0.00 C ATOM 1037 OE1 GLN A 205 7.019 -9.177 -3.687 1.00 0.00 O ATOM 1038 NE2 GLN A 205 5.029 -8.138 -3.707 1.00 0.00 N ATOM 0 H GLN A 205 5.241 -7.724 1.181 1.00 0.00 H new ATOM 0 HA GLN A 205 3.969 -7.715 -1.256 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.267 -8.562 -0.733 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.558 -9.979 0.014 1.00 0.00 H new ATOM 0 HG2 GLN A 205 5.984 -10.833 -2.071 1.00 0.00 H new ATOM 0 HG3 GLN A 205 4.355 -10.242 -2.335 1.00 0.00 H new ATOM 0 HE21 GLN A 205 4.093 -8.063 -3.308 1.00 0.00 H new ATOM 0 HE22 GLN A 205 5.312 -7.516 -4.464 1.00 0.00 H new ATOM 1047 N ALA A 206 2.801 -10.063 0.744 1.00 0.00 N ATOM 1048 CA ALA A 206 1.696 -10.992 0.939 1.00 0.00 C ATOM 1049 C ALA A 206 0.353 -10.295 0.751 1.00 0.00 C ATOM 1050 O ALA A 206 -0.454 -10.696 -0.087 1.00 0.00 O ATOM 1051 CB ALA A 206 1.776 -11.624 2.321 1.00 0.00 C ATOM 0 H ALA A 206 3.440 -9.995 1.536 1.00 0.00 H new ATOM 0 HA ALA A 206 1.777 -11.777 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 206 0.944 -12.316 2.453 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.717 -12.165 2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.724 -10.845 3.081 1.00 0.00 H new ATOM 1057 N ALA A 207 0.119 -9.249 1.538 1.00 0.00 N ATOM 1058 CA ALA A 207 -1.126 -8.496 1.456 1.00 0.00 C ATOM 1059 C ALA A 207 -1.354 -7.962 0.046 1.00 0.00 C ATOM 1060 O ALA A 207 -2.489 -7.893 -0.426 1.00 0.00 O ATOM 1061 CB ALA A 207 -1.118 -7.353 2.461 1.00 0.00 C ATOM 0 H ALA A 207 0.775 -8.905 2.239 1.00 0.00 H new ATOM 0 HA ALA A 207 -1.947 -9.172 1.697 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -2.054 -6.799 2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -1.011 -7.755 3.468 1.00 0.00 H new ATOM 0 HB3 ALA A 207 -0.284 -6.685 2.246 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.268 -7.584 -0.620 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.351 -7.056 -1.977 1.00 0.00 C ATOM 1069 C ILE A 208 -0.975 -8.074 -2.925 1.00 0.00 C ATOM 1070 O ILE A 208 -2.134 -7.942 -3.318 1.00 0.00 O ATOM 1071 CB ILE A 208 1.038 -6.658 -2.511 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.549 -5.412 -1.785 1.00 0.00 C ATOM 1073 CG2 ILE A 208 0.978 -6.416 -4.012 1.00 0.00 C ATOM 1074 CD1 ILE A 208 2.991 -5.078 -2.100 1.00 0.00 C ATOM 0 H ILE A 208 0.678 -7.633 -0.243 1.00 0.00 H new ATOM 0 HA ILE A 208 -0.983 -6.169 -1.933 1.00 0.00 H new ATOM 0 HB ILE A 208 1.733 -7.476 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 208 0.921 -4.562 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.445 -5.559 -0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 208 1.967 -6.136 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.652 -7.326 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.273 -5.612 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.286 -4.184 -1.551 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.630 -5.911 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 208 3.098 -4.898 -3.170 1.00 0.00 H new ATOM 1086 N ASN A 209 -0.200 -9.090 -3.288 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.677 -10.132 -4.190 1.00 0.00 C ATOM 1088 C ASN A 209 -2.053 -10.633 -3.762 1.00 0.00 C ATOM 1089 O ASN A 209 -2.935 -10.843 -4.594 1.00 0.00 O ATOM 1090 CB ASN A 209 0.313 -11.297 -4.227 1.00 0.00 C ATOM 1091 CG ASN A 209 1.377 -11.118 -5.294 1.00 0.00 C ATOM 1092 OD1 ASN A 209 2.565 -11.009 -4.989 1.00 0.00 O ATOM 1093 ND2 ASN A 209 0.954 -11.086 -6.552 1.00 0.00 N ATOM 0 H ASN A 209 0.762 -9.214 -2.971 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.760 -9.703 -5.189 1.00 0.00 H new ATOM 0 HB2 ASN A 209 0.792 -11.394 -3.253 1.00 0.00 H new ATOM 0 HB3 ASN A 209 -0.229 -12.225 -4.410 1.00 0.00 H new ATOM 0 HD21 ASN A 209 1.623 -10.967 -7.312 1.00 0.00 H new ATOM 0 HD22 ASN A 209 -0.040 -11.180 -6.758 1.00 0.00 H new ATOM 1100 N ALA A 210 -2.228 -10.823 -2.458 1.00 0.00 N ATOM 1101 CA ALA A 210 -3.497 -11.297 -1.919 1.00 0.00 C ATOM 1102 C ALA A 210 -4.646 -10.386 -2.337 1.00 0.00 C ATOM 1103 O ALA A 210 -5.718 -10.856 -2.720 1.00 0.00 O ATOM 1104 CB ALA A 210 -3.422 -11.395 -0.403 1.00 0.00 C ATOM 0 H ALA A 210 -1.507 -10.656 -1.756 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.689 -12.289 -2.327 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -4.376 -11.750 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -2.633 -12.093 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -3.203 -10.412 0.015 1.00 0.00 H new ATOM 1110 N LEU A 211 -4.417 -9.080 -2.260 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.433 -8.101 -2.629 1.00 0.00 C ATOM 1112 C LEU A 211 -5.182 -7.558 -4.032 1.00 0.00 C ATOM 1113 O LEU A 211 -5.940 -7.837 -4.962 1.00 0.00 O ATOM 1114 CB LEU A 211 -5.453 -6.951 -1.621 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.611 -7.348 -0.153 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -5.332 -6.160 0.755 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -7.006 -7.900 0.103 1.00 0.00 C ATOM 0 H LEU A 211 -3.536 -8.674 -1.945 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.402 -8.600 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.527 -6.386 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.269 -6.278 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 211 -4.885 -8.129 0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.449 -6.462 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -4.313 -5.809 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -6.033 -5.357 0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -7.101 -8.177 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -7.748 -7.140 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -7.170 -8.779 -0.521 1.00 0.00 H new ATOM 1129 N HIS A 212 -4.112 -6.783 -4.179 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.759 -6.203 -5.470 1.00 0.00 C ATOM 1131 C HIS A 212 -3.759 -7.268 -6.562 1.00 0.00 C ATOM 1132 O HIS A 212 -3.171 -8.337 -6.400 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.387 -5.533 -5.393 1.00 0.00 C ATOM 1134 CG HIS A 212 -1.883 -5.047 -6.718 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.712 -4.785 -7.788 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.627 -4.774 -7.141 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.987 -4.374 -8.813 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.718 -4.358 -8.446 1.00 0.00 N ATOM 0 H HIS A 212 -3.474 -6.542 -3.420 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.508 -5.452 -5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.441 -4.691 -4.703 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.669 -6.240 -4.977 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.726 -4.892 -7.788 1.00 0.00 H new ATOM 0 HD2 HIS A 212 0.279 -4.866 -6.560 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -2.367 -4.098 -9.786 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.423 -6.969 -7.674 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.487 -7.911 -8.776 1.00 0.00 C ATOM 1148 C GLY A 213 -5.385 -9.095 -8.475 1.00 0.00 C ATOM 1149 O GLY A 213 -5.520 -10.004 -9.294 1.00 0.00 O ATOM 0 H GLY A 213 -4.918 -6.091 -7.831 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.852 -7.399 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.483 -8.269 -9.003 1.00 0.00 H new ATOM 1153 N SER A 214 -6.001 -9.084 -7.297 1.00 0.00 N ATOM 1154 CA SER A 214 -6.887 -10.168 -6.888 1.00 0.00 C ATOM 1155 C SER A 214 -8.339 -9.838 -7.221 1.00 0.00 C ATOM 1156 O SER A 214 -8.927 -10.426 -8.128 1.00 0.00 O ATOM 1157 CB SER A 214 -6.744 -10.433 -5.388 1.00 0.00 C ATOM 1158 OG SER A 214 -7.261 -11.706 -5.043 1.00 0.00 O ATOM 0 H SER A 214 -5.903 -8.337 -6.609 1.00 0.00 H new ATOM 0 HA SER A 214 -6.601 -11.065 -7.438 1.00 0.00 H new ATOM 0 HB2 SER A 214 -5.693 -10.375 -5.104 1.00 0.00 H new ATOM 0 HB3 SER A 214 -7.269 -9.660 -4.827 1.00 0.00 H new ATOM 0 HG SER A 214 -6.964 -11.946 -4.141 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.909 -8.892 -6.481 1.00 0.00 N ATOM 1165 CA GLN A 215 -10.292 -8.484 -6.697 1.00 0.00 C ATOM 1166 C GLN A 215 -10.358 -7.190 -7.500 1.00 0.00 C ATOM 1167 O GLN A 215 -9.331 -6.586 -7.812 1.00 0.00 O ATOM 1168 CB GLN A 215 -11.008 -8.304 -5.357 1.00 0.00 C ATOM 1169 CG GLN A 215 -10.576 -7.060 -4.599 1.00 0.00 C ATOM 1170 CD GLN A 215 -9.405 -7.319 -3.671 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -8.716 -8.332 -3.791 1.00 0.00 O ATOM 1172 NE2 GLN A 215 -9.173 -6.401 -2.740 1.00 0.00 N ATOM 0 H GLN A 215 -8.435 -8.394 -5.727 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.792 -9.269 -7.265 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -12.083 -8.258 -5.532 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -10.824 -9.180 -4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -10.305 -6.281 -5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -11.418 -6.682 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -9.770 -5.576 -2.677 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -8.398 -6.521 -2.088 1.00 0.00 H new ATOM 1181 N THR A 216 -11.574 -6.767 -7.834 1.00 0.00 N ATOM 1182 CA THR A 216 -11.774 -5.545 -8.602 1.00 0.00 C ATOM 1183 C THR A 216 -12.894 -4.699 -8.008 1.00 0.00 C ATOM 1184 O THR A 216 -14.072 -4.943 -8.265 1.00 0.00 O ATOM 1185 CB THR A 216 -12.107 -5.855 -10.074 1.00 0.00 C ATOM 1186 OG1 THR A 216 -11.261 -6.905 -10.557 1.00 0.00 O ATOM 1187 CG2 THR A 216 -11.933 -4.617 -10.941 1.00 0.00 C ATOM 0 H THR A 216 -12.435 -7.254 -7.584 1.00 0.00 H new ATOM 0 HA THR A 216 -10.838 -4.988 -8.558 1.00 0.00 H new ATOM 0 HB THR A 216 -13.148 -6.174 -10.129 1.00 0.00 H new ATOM 0 HG1 THR A 216 -11.480 -7.097 -11.493 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.174 -4.861 -11.976 1.00 0.00 H new ATOM 0 HG22 THR A 216 -12.600 -3.830 -10.589 1.00 0.00 H new ATOM 0 HG23 THR A 216 -10.901 -4.272 -10.880 1.00 0.00 H new ATOM 1195 N MET A 217 -12.518 -3.703 -7.212 1.00 0.00 N ATOM 1196 CA MET A 217 -13.492 -2.819 -6.582 1.00 0.00 C ATOM 1197 C MET A 217 -14.689 -2.589 -7.498 1.00 0.00 C ATOM 1198 O MET A 217 -14.546 -2.310 -8.689 1.00 0.00 O ATOM 1199 CB MET A 217 -12.842 -1.481 -6.226 1.00 0.00 C ATOM 1200 CG MET A 217 -11.966 -1.542 -4.985 1.00 0.00 C ATOM 1201 SD MET A 217 -12.906 -1.894 -3.487 1.00 0.00 S ATOM 1202 CE MET A 217 -11.668 -2.731 -2.500 1.00 0.00 C ATOM 0 H MET A 217 -11.546 -3.488 -6.988 1.00 0.00 H new ATOM 0 HA MET A 217 -13.844 -3.298 -5.668 1.00 0.00 H new ATOM 0 HB2 MET A 217 -12.240 -1.143 -7.069 1.00 0.00 H new ATOM 0 HB3 MET A 217 -13.623 -0.736 -6.073 1.00 0.00 H new ATOM 0 HG2 MET A 217 -11.204 -2.310 -5.120 1.00 0.00 H new ATOM 0 HG3 MET A 217 -11.444 -0.593 -4.867 1.00 0.00 H new ATOM 0 HE1 MET A 217 -12.098 -3.013 -1.539 1.00 0.00 H new ATOM 0 HE2 MET A 217 -11.330 -3.626 -3.023 1.00 0.00 H new ATOM 0 HE3 MET A 217 -10.821 -2.064 -2.337 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.900 -2.708 -6.933 1.00 0.00 N ATOM 1213 CA PRO A 218 -17.145 -2.516 -7.682 1.00 0.00 C ATOM 1214 C PRO A 218 -17.138 -1.229 -8.500 1.00 0.00 C ATOM 1215 O PRO A 218 -17.014 -0.135 -7.952 1.00 0.00 O ATOM 1216 CB PRO A 218 -18.211 -2.447 -6.585 1.00 0.00 C ATOM 1217 CG PRO A 218 -17.643 -3.231 -5.454 1.00 0.00 C ATOM 1218 CD PRO A 218 -16.146 -3.038 -5.519 1.00 0.00 C ATOM 0 HA PRO A 218 -17.311 -3.312 -8.408 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -18.410 -1.416 -6.291 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -19.156 -2.870 -6.925 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -18.040 -2.882 -4.500 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -17.904 -4.286 -5.541 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -15.816 -2.237 -4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -15.612 -3.940 -5.219 1.00 0.00 H new ATOM 1226 N GLY A 219 -17.271 -1.369 -9.815 1.00 0.00 N ATOM 1227 CA GLY A 219 -17.277 -0.209 -10.688 1.00 0.00 C ATOM 1228 C GLY A 219 -16.053 -0.147 -11.579 1.00 0.00 C ATOM 1229 O GLY A 219 -16.168 0.014 -12.793 1.00 0.00 O ATOM 0 H GLY A 219 -17.375 -2.265 -10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -18.173 -0.230 -11.308 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -17.329 0.696 -10.083 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.876 -0.273 -10.974 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.625 -0.231 -11.721 1.00 0.00 C ATOM 1235 C ALA A 220 -13.423 -1.511 -12.526 1.00 0.00 C ATOM 1236 O ALA A 220 -13.927 -2.572 -12.160 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.453 -0.009 -10.776 1.00 0.00 C ATOM 0 H ALA A 220 -14.763 -0.405 -9.969 1.00 0.00 H new ATOM 0 HA ALA A 220 -13.676 0.603 -12.421 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.525 0.020 -11.347 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -12.584 0.936 -10.249 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -12.409 -0.824 -10.054 1.00 0.00 H new ATOM 1243 N SER A 221 -12.683 -1.402 -13.625 1.00 0.00 N ATOM 1244 CA SER A 221 -12.418 -2.550 -14.484 1.00 0.00 C ATOM 1245 C SER A 221 -11.067 -3.177 -14.152 1.00 0.00 C ATOM 1246 O SER A 221 -10.807 -4.332 -14.491 1.00 0.00 O ATOM 1247 CB SER A 221 -12.451 -2.131 -15.955 1.00 0.00 C ATOM 1248 OG SER A 221 -12.703 -3.243 -16.797 1.00 0.00 O ATOM 0 H SER A 221 -12.257 -0.531 -13.941 1.00 0.00 H new ATOM 0 HA SER A 221 -13.196 -3.292 -14.307 1.00 0.00 H new ATOM 0 HB2 SER A 221 -13.223 -1.376 -16.104 1.00 0.00 H new ATOM 0 HB3 SER A 221 -11.500 -1.673 -16.227 1.00 0.00 H new ATOM 0 HG SER A 221 -12.721 -2.948 -17.731 1.00 0.00 H new ATOM 1254 N SER A 222 -10.212 -2.407 -13.488 1.00 0.00 N ATOM 1255 CA SER A 222 -8.886 -2.884 -13.113 1.00 0.00 C ATOM 1256 C SER A 222 -8.862 -3.332 -11.655 1.00 0.00 C ATOM 1257 O SER A 222 -9.383 -2.646 -10.775 1.00 0.00 O ATOM 1258 CB SER A 222 -7.843 -1.788 -13.339 1.00 0.00 C ATOM 1259 OG SER A 222 -8.399 -0.503 -13.120 1.00 0.00 O ATOM 0 H SER A 222 -10.413 -1.450 -13.198 1.00 0.00 H new ATOM 0 HA SER A 222 -8.644 -3.741 -13.742 1.00 0.00 H new ATOM 0 HB2 SER A 222 -6.998 -1.941 -12.668 1.00 0.00 H new ATOM 0 HB3 SER A 222 -7.458 -1.852 -14.357 1.00 0.00 H new ATOM 0 HG SER A 222 -8.328 0.028 -13.941 1.00 0.00 H new ATOM 1265 N SER A 223 -8.254 -4.487 -11.407 1.00 0.00 N ATOM 1266 CA SER A 223 -8.164 -5.030 -10.056 1.00 0.00 C ATOM 1267 C SER A 223 -7.463 -4.049 -9.122 1.00 0.00 C ATOM 1268 O SER A 223 -6.622 -3.258 -9.551 1.00 0.00 O ATOM 1269 CB SER A 223 -7.417 -6.365 -10.068 1.00 0.00 C ATOM 1270 OG SER A 223 -7.836 -7.174 -11.153 1.00 0.00 O ATOM 0 H SER A 223 -7.816 -5.066 -12.124 1.00 0.00 H new ATOM 0 HA SER A 223 -9.177 -5.193 -9.688 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.344 -6.184 -10.138 1.00 0.00 H new ATOM 0 HB3 SER A 223 -7.591 -6.891 -9.129 1.00 0.00 H new ATOM 0 HG SER A 223 -7.343 -8.021 -11.139 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.814 -4.107 -7.842 1.00 0.00 N ATOM 1277 CA LEU A 224 -7.218 -3.224 -6.845 1.00 0.00 C ATOM 1278 C LEU A 224 -5.749 -2.962 -7.158 1.00 0.00 C ATOM 1279 O LEU A 224 -5.027 -3.857 -7.599 1.00 0.00 O ATOM 1280 CB LEU A 224 -7.353 -3.835 -5.449 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.608 -3.113 -4.325 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -7.328 -1.828 -3.947 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.462 -4.021 -3.113 1.00 0.00 C ATOM 0 H LEU A 224 -8.508 -4.756 -7.470 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.751 -2.273 -6.872 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -8.411 -3.872 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.999 -4.865 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.611 -2.855 -4.683 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -6.784 -1.328 -3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -7.380 -1.171 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -8.337 -2.062 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -5.930 -3.491 -2.323 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.450 -4.310 -2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.902 -4.913 -3.392 1.00 0.00 H new ATOM 1295 N VAL A 225 -5.310 -1.729 -6.925 1.00 0.00 N ATOM 1296 CA VAL A 225 -3.926 -1.349 -7.179 1.00 0.00 C ATOM 1297 C VAL A 225 -3.207 -0.992 -5.883 1.00 0.00 C ATOM 1298 O VAL A 225 -3.481 0.042 -5.273 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.840 -0.154 -8.147 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.391 0.259 -8.359 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.506 -0.492 -9.472 1.00 0.00 C ATOM 0 H VAL A 225 -5.894 -0.976 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.440 -2.212 -7.635 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.372 0.688 -7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.350 1.105 -9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -1.951 0.546 -7.404 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -1.832 -0.577 -8.780 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.436 0.364 -10.143 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -4.005 -1.349 -9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.555 -0.734 -9.301 1.00 0.00 H new ATOM 1311 N VAL A 226 -2.285 -1.855 -5.466 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.525 -1.630 -4.243 1.00 0.00 C ATOM 1313 C VAL A 226 -0.033 -1.842 -4.476 1.00 0.00 C ATOM 1314 O VAL A 226 0.432 -2.974 -4.607 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.994 -2.564 -3.111 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -1.445 -2.097 -1.772 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.513 -2.637 -3.077 1.00 0.00 C ATOM 0 H VAL A 226 -2.047 -2.716 -5.958 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.700 -0.596 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.609 -3.565 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.787 -2.769 -0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 226 -0.355 -2.100 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.799 -1.087 -1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.827 -3.301 -2.272 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.921 -1.641 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.880 -3.022 -4.029 1.00 0.00 H new ATOM 1327 N LYS A 227 0.714 -0.744 -4.526 1.00 0.00 N ATOM 1328 CA LYS A 227 2.154 -0.807 -4.742 1.00 0.00 C ATOM 1329 C LYS A 227 2.906 -0.157 -3.585 1.00 0.00 C ATOM 1330 O LYS A 227 2.299 0.320 -2.626 1.00 0.00 O ATOM 1331 CB LYS A 227 2.525 -0.118 -6.057 1.00 0.00 C ATOM 1332 CG LYS A 227 2.294 1.383 -6.043 1.00 0.00 C ATOM 1333 CD LYS A 227 2.292 1.959 -7.449 1.00 0.00 C ATOM 1334 CE LYS A 227 2.457 3.471 -7.432 1.00 0.00 C ATOM 1335 NZ LYS A 227 3.891 3.873 -7.452 1.00 0.00 N ATOM 0 H LYS A 227 0.345 0.201 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 227 2.442 -1.857 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 227 3.575 -0.314 -6.277 1.00 0.00 H new ATOM 0 HB3 LYS A 227 1.943 -0.559 -6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 227 1.343 1.601 -5.558 1.00 0.00 H new ATOM 0 HG3 LYS A 227 3.072 1.866 -5.452 1.00 0.00 H new ATOM 0 HD2 LYS A 227 3.099 1.510 -8.028 1.00 0.00 H new ATOM 0 HD3 LYS A 227 1.359 1.699 -7.948 1.00 0.00 H new ATOM 0 HE2 LYS A 227 1.947 3.902 -8.294 1.00 0.00 H new ATOM 0 HE3 LYS A 227 1.978 3.879 -6.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 3.961 4.911 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 4.372 3.484 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 4.342 3.506 -8.314 1.00 0.00 H new ATOM 1349 N PHE A 228 4.232 -0.139 -3.682 1.00 0.00 N ATOM 1350 CA PHE A 228 5.067 0.453 -2.644 1.00 0.00 C ATOM 1351 C PHE A 228 5.177 1.964 -2.832 1.00 0.00 C ATOM 1352 O PHE A 228 5.844 2.439 -3.750 1.00 0.00 O ATOM 1353 CB PHE A 228 6.461 -0.177 -2.659 1.00 0.00 C ATOM 1354 CG PHE A 228 6.445 -1.670 -2.491 1.00 0.00 C ATOM 1355 CD1 PHE A 228 6.017 -2.242 -1.305 1.00 0.00 C ATOM 1356 CD2 PHE A 228 6.860 -2.500 -3.520 1.00 0.00 C ATOM 1357 CE1 PHE A 228 6.001 -3.615 -1.147 1.00 0.00 C ATOM 1358 CE2 PHE A 228 6.846 -3.874 -3.368 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.417 -4.432 -2.180 1.00 0.00 C ATOM 0 H PHE A 228 4.751 -0.528 -4.469 1.00 0.00 H new ATOM 0 HA PHE A 228 4.598 0.257 -1.680 1.00 0.00 H new ATOM 0 HB2 PHE A 228 6.953 0.070 -3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 228 7.059 0.264 -1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 228 5.692 -1.608 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 228 7.198 -2.069 -4.451 1.00 0.00 H new ATOM 0 HE1 PHE A 228 5.664 -4.048 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 228 7.170 -4.511 -4.178 1.00 0.00 H new ATOM 0 HZ PHE A 228 6.407 -5.505 -2.059 1.00 0.00 H new