USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0437 K(o=-0.044,f=-0.64) USER MOD Single : A 20 GLN : amide:sc= -0.101 K(o=-0.1,f=-1.8) USER MOD Single : A 22 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.0345) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0268 K(o=-0.027,f=-1.2) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 CYS SG : rot 147:sc= -1.86! USER MOD Single : A 46 SER OG : rot -33:sc= 1.03 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.036 K(o=-0.036,f=-2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.245 K(o=-0.24,f=-1.4!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 23:sc= 0.551 USER MOD Single : A 60 ASN : amide:sc= -0.234 X(o=-0.23,f=0) USER MOD Single : A 64 ASN : amide:sc= -12.4! C(o=-12!,f=-15!) USER MOD Single : A 69 ASN : amide:sc= -0.721 K(o=-0.72,f=-0.059) USER MOD Single : A 71 SER OG : rot 130:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.155) USER MOD Single : A 76 LYS NZ :NH3+ -167:sc= -0.0013 (180deg=-0.0644) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 176:sc= -1.61! (180deg=-1.73!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 109:sc= 0.0418 USER MOD Single : A 117 GLN : amide:sc= -0.455 K(o=-0.45,f=-3.2!) USER MOD Single : A 118 LYS NZ :NH3+ -156:sc= -0.0304 (180deg=-0.298) USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 121 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-2.6!) USER MOD Single : A 122 GLN : amide:sc= -0.755! C(o=-0.76!,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.772 3.862 8.558 1.00 0.00 N ATOM 173 CA MET A 11 -3.529 3.309 8.048 1.00 0.00 C ATOM 174 C MET A 11 -3.332 1.869 8.528 1.00 0.00 C ATOM 175 O MET A 11 -2.962 0.995 7.745 1.00 0.00 O ATOM 176 CB MET A 11 -2.355 4.169 8.520 1.00 0.00 C ATOM 177 CG MET A 11 -2.151 4.037 10.030 1.00 0.00 C ATOM 178 SD MET A 11 -0.941 5.224 10.589 1.00 0.00 S ATOM 179 CE MET A 11 -2.003 6.621 10.911 1.00 0.00 C ATOM 0 HA MET A 11 -3.574 3.307 6.959 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.446 3.868 7.999 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.538 5.213 8.264 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.096 4.198 10.548 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.821 3.027 10.274 1.00 0.00 H new ATOM 0 HE1 MET A 11 -1.404 7.458 11.271 1.00 0.00 H new ATOM 0 HE2 MET A 11 -2.514 6.909 9.992 1.00 0.00 H new ATOM 0 HE3 MET A 11 -2.740 6.351 11.667 1.00 0.00 H new ATOM 189 N ARG A 12 -3.588 1.667 9.812 1.00 0.00 N ATOM 190 CA ARG A 12 -3.444 0.348 10.405 1.00 0.00 C ATOM 191 C ARG A 12 -4.273 -0.677 9.628 1.00 0.00 C ATOM 192 O ARG A 12 -3.750 -1.703 9.195 1.00 0.00 O ATOM 193 CB ARG A 12 -3.891 0.351 11.869 1.00 0.00 C ATOM 194 CG ARG A 12 -2.788 0.899 12.777 1.00 0.00 C ATOM 195 CD ARG A 12 -3.214 0.852 14.246 1.00 0.00 C ATOM 196 NE ARG A 12 -2.929 -0.485 14.812 1.00 0.00 N ATOM 197 CZ ARG A 12 -3.037 -0.789 16.113 1.00 0.00 C ATOM 198 NH1 ARG A 12 -3.424 0.148 16.990 1.00 0.00 N ATOM 199 NH2 ARG A 12 -2.757 -2.029 16.537 1.00 0.00 N ATOM 0 H ARG A 12 -3.894 2.394 10.458 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.389 0.077 10.359 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.791 0.957 11.977 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.150 -0.662 12.176 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.877 0.317 12.640 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.556 1.926 12.494 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.682 1.617 14.812 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.278 1.073 14.332 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.632 -1.222 14.172 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.636 1.092 16.667 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.506 -0.083 17.980 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.462 -2.742 15.870 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.839 -2.260 17.527 1.00 0.00 H new ATOM 213 N GLN A 13 -5.551 -0.364 9.476 1.00 0.00 N ATOM 214 CA GLN A 13 -6.457 -1.245 8.758 1.00 0.00 C ATOM 215 C GLN A 13 -5.800 -1.747 7.471 1.00 0.00 C ATOM 216 O GLN A 13 -5.954 -2.911 7.105 1.00 0.00 O ATOM 217 CB GLN A 13 -7.783 -0.543 8.460 1.00 0.00 C ATOM 218 CG GLN A 13 -8.605 -0.358 9.737 1.00 0.00 C ATOM 219 CD GLN A 13 -9.336 -1.649 10.110 1.00 0.00 C ATOM 220 OE1 GLN A 13 -9.869 -2.356 9.270 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.333 -1.916 11.413 1.00 0.00 N ATOM 0 H GLN A 13 -5.981 0.487 9.838 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.674 -2.105 9.391 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.590 0.428 8.004 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.353 -1.127 7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.950 -0.057 10.555 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.328 0.446 9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.868 -1.282 12.062 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.796 -2.755 11.763 1.00 0.00 H new ATOM 230 N LEU A 14 -5.082 -0.844 6.820 1.00 0.00 N ATOM 231 CA LEU A 14 -4.401 -1.181 5.581 1.00 0.00 C ATOM 232 C LEU A 14 -3.258 -2.153 5.880 1.00 0.00 C ATOM 233 O LEU A 14 -3.293 -3.307 5.455 1.00 0.00 O ATOM 234 CB LEU A 14 -3.955 0.088 4.852 1.00 0.00 C ATOM 235 CG LEU A 14 -4.895 0.601 3.760 1.00 0.00 C ATOM 236 CD1 LEU A 14 -4.433 1.960 3.232 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.046 -0.429 2.638 1.00 0.00 C ATOM 0 H LEU A 14 -4.957 0.121 7.127 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.082 -1.690 4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.822 0.879 5.590 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.979 -0.098 4.405 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.882 0.746 4.200 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.119 2.301 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.420 2.682 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.431 1.866 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.719 -0.039 1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.071 -0.629 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.455 -1.353 3.045 1.00 0.00 H new ATOM 249 N ILE A 15 -2.272 -1.651 6.608 1.00 0.00 N ATOM 250 CA ILE A 15 -1.121 -2.460 6.969 1.00 0.00 C ATOM 251 C ILE A 15 -1.599 -3.823 7.473 1.00 0.00 C ATOM 252 O ILE A 15 -1.009 -4.852 7.147 1.00 0.00 O ATOM 253 CB ILE A 15 -0.232 -1.713 7.965 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.463 -0.525 7.297 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.768 -2.663 8.628 1.00 0.00 C ATOM 256 CD1 ILE A 15 -0.129 0.800 7.782 1.00 0.00 C ATOM 0 H ILE A 15 -2.247 -0.693 6.958 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.496 -2.644 6.095 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.867 -1.312 8.755 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.530 -0.553 7.517 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.359 -0.600 6.215 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.387 -2.106 9.331 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.228 -3.446 9.161 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.402 -3.115 7.865 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.383 1.628 7.292 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.191 0.835 7.539 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.001 0.882 8.861 1.00 0.00 H new ATOM 268 N ASP A 16 -2.664 -3.787 8.261 1.00 0.00 N ATOM 269 CA ASP A 16 -3.228 -5.007 8.813 1.00 0.00 C ATOM 270 C ASP A 16 -3.855 -5.830 7.686 1.00 0.00 C ATOM 271 O ASP A 16 -3.654 -7.041 7.611 1.00 0.00 O ATOM 272 CB ASP A 16 -4.323 -4.694 9.835 1.00 0.00 C ATOM 273 CG ASP A 16 -4.269 -5.529 11.116 1.00 0.00 C ATOM 274 OD1 ASP A 16 -3.209 -6.150 11.345 1.00 0.00 O ATOM 275 OD2 ASP A 16 -5.290 -5.528 11.837 1.00 0.00 O ATOM 0 H ASP A 16 -3.151 -2.932 8.530 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.425 -5.558 9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.258 -3.640 10.103 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.294 -4.843 9.362 1.00 0.00 H new ATOM 280 N ILE A 17 -4.601 -5.139 6.837 1.00 0.00 N ATOM 281 CA ILE A 17 -5.259 -5.791 5.717 1.00 0.00 C ATOM 282 C ILE A 17 -4.224 -6.584 4.915 1.00 0.00 C ATOM 283 O ILE A 17 -4.489 -7.710 4.496 1.00 0.00 O ATOM 284 CB ILE A 17 -6.033 -4.769 4.881 1.00 0.00 C ATOM 285 CG1 ILE A 17 -7.501 -4.712 5.308 1.00 0.00 C ATOM 286 CG2 ILE A 17 -5.881 -5.056 3.386 1.00 0.00 C ATOM 287 CD1 ILE A 17 -8.079 -3.311 5.097 1.00 0.00 C ATOM 0 H ILE A 17 -4.765 -4.134 6.902 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.002 -6.504 6.074 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.606 -3.783 5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.079 -5.438 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.589 -4.991 6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.441 -4.315 2.815 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.827 -5.006 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.267 -6.051 3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -9.124 -3.298 5.408 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.514 -2.591 5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -8.011 -3.045 4.042 1.00 0.00 H new ATOM 299 N VAL A 18 -3.069 -5.965 4.725 1.00 0.00 N ATOM 300 CA VAL A 18 -1.993 -6.599 3.981 1.00 0.00 C ATOM 301 C VAL A 18 -1.502 -7.827 4.750 1.00 0.00 C ATOM 302 O VAL A 18 -1.504 -8.937 4.220 1.00 0.00 O ATOM 303 CB VAL A 18 -0.882 -5.585 3.701 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.006 -6.050 2.545 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.463 -4.197 3.423 1.00 0.00 C ATOM 0 H VAL A 18 -2.854 -5.031 5.073 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.351 -6.944 3.011 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.260 -5.515 4.593 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.787 -5.311 2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.462 -7.007 2.799 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.598 -6.164 1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.652 -3.496 3.227 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.119 -4.245 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.032 -3.861 4.290 1.00 0.00 H new ATOM 315 N ASP A 19 -1.093 -7.587 5.987 1.00 0.00 N ATOM 316 CA ASP A 19 -0.600 -8.660 6.834 1.00 0.00 C ATOM 317 C ASP A 19 -1.628 -9.793 6.863 1.00 0.00 C ATOM 318 O ASP A 19 -1.285 -10.939 7.151 1.00 0.00 O ATOM 319 CB ASP A 19 -0.389 -8.175 8.269 1.00 0.00 C ATOM 320 CG ASP A 19 -0.436 -9.272 9.335 1.00 0.00 C ATOM 321 OD1 ASP A 19 0.597 -9.960 9.488 1.00 0.00 O ATOM 322 OD2 ASP A 19 -1.503 -9.397 9.974 1.00 0.00 O ATOM 0 H ASP A 19 -1.093 -6.665 6.423 1.00 0.00 H new ATOM 0 HA ASP A 19 0.351 -9.003 6.426 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.576 -7.672 8.329 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.151 -7.431 8.501 1.00 0.00 H new ATOM 327 N GLN A 20 -2.867 -9.433 6.563 1.00 0.00 N ATOM 328 CA GLN A 20 -3.947 -10.406 6.551 1.00 0.00 C ATOM 329 C GLN A 20 -3.899 -11.237 5.267 1.00 0.00 C ATOM 330 O GLN A 20 -3.976 -12.463 5.315 1.00 0.00 O ATOM 331 CB GLN A 20 -5.304 -9.719 6.710 1.00 0.00 C ATOM 332 CG GLN A 20 -6.387 -10.728 7.097 1.00 0.00 C ATOM 333 CD GLN A 20 -6.319 -11.061 8.589 1.00 0.00 C ATOM 334 OE1 GLN A 20 -5.398 -10.683 9.294 1.00 0.00 O ATOM 335 NE2 GLN A 20 -7.342 -11.788 9.029 1.00 0.00 N ATOM 0 H GLN A 20 -3.148 -8.481 6.326 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.815 -11.078 7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.236 -8.943 7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.578 -9.226 5.777 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.370 -10.323 6.856 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.266 -11.639 6.512 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.081 -12.071 8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.388 -12.062 10.010 1.00 0.00 H new ATOM 344 N LEU A 21 -3.773 -10.535 4.151 1.00 0.00 N ATOM 345 CA LEU A 21 -3.715 -11.192 2.856 1.00 0.00 C ATOM 346 C LEU A 21 -2.396 -11.958 2.737 1.00 0.00 C ATOM 347 O LEU A 21 -2.371 -13.088 2.251 1.00 0.00 O ATOM 348 CB LEU A 21 -3.942 -10.181 1.731 1.00 0.00 C ATOM 349 CG LEU A 21 -2.687 -9.685 1.011 1.00 0.00 C ATOM 350 CD1 LEU A 21 -2.375 -10.553 -0.209 1.00 0.00 C ATOM 351 CD2 LEU A 21 -2.814 -8.205 0.644 1.00 0.00 C ATOM 0 H LEU A 21 -3.709 -9.518 4.116 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.519 -11.922 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.606 -10.632 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.464 -9.318 2.145 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.843 -9.776 1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.478 -10.178 -0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.211 -11.582 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.213 -10.518 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.908 -7.878 0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.672 -8.066 -0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.952 -7.616 1.551 1.00 0.00 H new ATOM 363 N LYS A 22 -1.330 -11.313 3.189 1.00 0.00 N ATOM 364 CA LYS A 22 -0.011 -11.919 3.140 1.00 0.00 C ATOM 365 C LYS A 22 -0.018 -13.213 3.956 1.00 0.00 C ATOM 366 O LYS A 22 0.742 -14.137 3.668 1.00 0.00 O ATOM 367 CB LYS A 22 1.056 -10.917 3.584 1.00 0.00 C ATOM 368 CG LYS A 22 1.689 -10.219 2.378 1.00 0.00 C ATOM 369 CD LYS A 22 2.931 -9.426 2.793 1.00 0.00 C ATOM 370 CE LYS A 22 2.613 -8.478 3.951 1.00 0.00 C ATOM 371 NZ LYS A 22 3.136 -9.022 5.224 1.00 0.00 N ATOM 0 H LYS A 22 -1.354 -10.376 3.591 1.00 0.00 H new ATOM 0 HA LYS A 22 0.246 -12.190 2.116 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.610 -10.174 4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.827 -11.432 4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.961 -10.960 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.962 -9.549 1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.724 -10.113 3.088 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.304 -8.855 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.053 -7.499 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.535 -8.334 4.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.515 -8.733 6.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.167 -10.060 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.095 -8.655 5.390 1.00 0.00 H new ATOM 385 N ASN A 23 -0.884 -13.238 4.959 1.00 0.00 N ATOM 386 CA ASN A 23 -0.999 -14.403 5.819 1.00 0.00 C ATOM 387 C ASN A 23 -1.431 -15.609 4.982 1.00 0.00 C ATOM 388 O ASN A 23 -1.339 -16.748 5.435 1.00 0.00 O ATOM 389 CB ASN A 23 -2.051 -14.182 6.908 1.00 0.00 C ATOM 390 CG ASN A 23 -1.622 -14.831 8.225 1.00 0.00 C ATOM 391 OD1 ASN A 23 -1.854 -16.003 8.474 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.986 -14.006 9.052 1.00 0.00 N ATOM 0 H ASN A 23 -1.512 -12.470 5.195 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.029 -14.575 6.285 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.205 -13.113 7.058 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.005 -14.599 6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.659 -14.343 9.958 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.825 -13.036 8.781 1.00 0.00 H new ATOM 399 N TYR A 24 -1.893 -15.316 3.775 1.00 0.00 N ATOM 400 CA TYR A 24 -2.340 -16.362 2.871 1.00 0.00 C ATOM 401 C TYR A 24 -1.594 -16.289 1.537 1.00 0.00 C ATOM 402 O TYR A 24 -2.169 -16.560 0.484 1.00 0.00 O ATOM 403 CB TYR A 24 -3.827 -16.100 2.625 1.00 0.00 C ATOM 404 CG TYR A 24 -4.732 -16.515 3.787 1.00 0.00 C ATOM 405 CD1 TYR A 24 -4.555 -17.741 4.396 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.726 -15.664 4.225 1.00 0.00 C ATOM 407 CE1 TYR A 24 -5.407 -18.132 5.489 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.578 -16.055 5.319 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.376 -17.269 5.897 1.00 0.00 C ATOM 410 OH TYR A 24 -7.181 -17.638 6.929 1.00 0.00 O ATOM 0 H TYR A 24 -1.967 -14.369 3.402 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.155 -17.346 3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.971 -15.038 2.427 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.136 -16.636 1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.777 -18.407 4.053 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.865 -14.705 3.748 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -5.280 -19.089 5.974 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.360 -15.399 5.672 1.00 0.00 H new ATOM 0 HH TYR A 24 -7.826 -16.923 7.113 1.00 0.00 H new ATOM 420 N VAL A 25 -0.324 -15.920 1.625 1.00 0.00 N ATOM 421 CA VAL A 25 0.506 -15.808 0.438 1.00 0.00 C ATOM 422 C VAL A 25 0.364 -17.079 -0.401 1.00 0.00 C ATOM 423 O VAL A 25 0.406 -17.025 -1.629 1.00 0.00 O ATOM 424 CB VAL A 25 1.953 -15.514 0.838 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.929 -16.392 0.051 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.282 -14.031 0.657 1.00 0.00 C ATOM 0 H VAL A 25 0.150 -15.695 2.500 1.00 0.00 H new ATOM 0 HA VAL A 25 0.177 -14.973 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 25 2.063 -15.755 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.950 -16.163 0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.717 -17.442 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.815 -16.197 -1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.317 -13.850 0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.145 -13.753 -0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.619 -13.432 1.281 1.00 0.00 H new ATOM 436 N ASN A 26 0.199 -18.194 0.296 1.00 0.00 N ATOM 437 CA ASN A 26 0.050 -19.477 -0.369 1.00 0.00 C ATOM 438 C ASN A 26 -1.104 -19.397 -1.371 1.00 0.00 C ATOM 439 O ASN A 26 -1.198 -20.219 -2.282 1.00 0.00 O ATOM 440 CB ASN A 26 -0.272 -20.585 0.636 1.00 0.00 C ATOM 441 CG ASN A 26 0.004 -21.966 0.037 1.00 0.00 C ATOM 442 OD1 ASN A 26 0.914 -22.158 -0.752 1.00 0.00 O ATOM 443 ND2 ASN A 26 -0.830 -22.913 0.456 1.00 0.00 N ATOM 0 H ASN A 26 0.165 -18.235 1.315 1.00 0.00 H new ATOM 0 HA ASN A 26 0.990 -19.707 -0.870 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.327 -20.449 1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -1.318 -20.517 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.729 -23.869 0.115 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.571 -22.683 1.118 1.00 0.00 H new ATOM 450 N ASP A 27 -1.953 -18.401 -1.168 1.00 0.00 N ATOM 451 CA ASP A 27 -3.096 -18.202 -2.042 1.00 0.00 C ATOM 452 C ASP A 27 -2.939 -16.876 -2.788 1.00 0.00 C ATOM 453 O ASP A 27 -3.898 -16.116 -2.919 1.00 0.00 O ATOM 454 CB ASP A 27 -4.398 -18.143 -1.241 1.00 0.00 C ATOM 455 CG ASP A 27 -4.674 -19.366 -0.364 1.00 0.00 C ATOM 456 OD1 ASP A 27 -3.823 -19.643 0.508 1.00 0.00 O ATOM 457 OD2 ASP A 27 -5.731 -19.997 -0.587 1.00 0.00 O ATOM 0 H ASP A 27 -1.872 -17.723 -0.411 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.138 -19.040 -2.737 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.377 -17.257 -0.606 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.229 -18.018 -1.935 1.00 0.00 H new ATOM 462 N LEU A 28 -1.723 -16.637 -3.256 1.00 0.00 N ATOM 463 CA LEU A 28 -1.429 -15.415 -3.985 1.00 0.00 C ATOM 464 C LEU A 28 -0.873 -15.772 -5.366 1.00 0.00 C ATOM 465 O LEU A 28 0.142 -16.458 -5.472 1.00 0.00 O ATOM 466 CB LEU A 28 -0.505 -14.512 -3.166 1.00 0.00 C ATOM 467 CG LEU A 28 -1.186 -13.636 -2.113 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.209 -12.607 -1.540 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.445 -12.976 -2.679 1.00 0.00 C ATOM 0 H LEU A 28 -0.930 -17.269 -3.145 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.340 -14.839 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.234 -15.139 -2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.039 -13.864 -3.853 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.500 -14.276 -1.289 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.719 -11.997 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.631 -13.123 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.157 -11.967 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.910 -12.359 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.177 -12.352 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.147 -13.746 -2.999 1.00 0.00 H new ATOM 481 N VAL A 29 -1.564 -15.289 -6.389 1.00 0.00 N ATOM 482 CA VAL A 29 -1.152 -15.548 -7.758 1.00 0.00 C ATOM 483 C VAL A 29 -0.026 -14.585 -8.138 1.00 0.00 C ATOM 484 O VAL A 29 -0.218 -13.370 -8.139 1.00 0.00 O ATOM 485 CB VAL A 29 -2.360 -15.456 -8.693 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.453 -14.069 -9.333 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.311 -16.550 -9.761 1.00 0.00 C ATOM 0 H VAL A 29 -2.406 -14.720 -6.297 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.759 -16.560 -7.855 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.259 -15.611 -8.096 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.320 -14.030 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.556 -13.315 -8.553 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.549 -13.873 -9.910 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.181 -16.462 -10.412 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.402 -16.440 -10.353 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.315 -17.528 -9.280 1.00 0.00 H new ATOM 497 N PRO A 30 1.154 -15.179 -8.461 1.00 0.00 N ATOM 498 CA PRO A 30 2.310 -14.387 -8.843 1.00 0.00 C ATOM 499 C PRO A 30 2.157 -13.841 -10.264 1.00 0.00 C ATOM 500 O PRO A 30 2.164 -14.602 -11.230 1.00 0.00 O ATOM 501 CB PRO A 30 3.497 -15.325 -8.693 1.00 0.00 C ATOM 502 CG PRO A 30 2.918 -16.731 -8.682 1.00 0.00 C ATOM 503 CD PRO A 30 1.417 -16.615 -8.472 1.00 0.00 C ATOM 0 HA PRO A 30 2.437 -13.502 -8.220 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.201 -15.199 -9.516 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.043 -15.120 -7.772 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.134 -17.240 -9.621 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.370 -17.324 -7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.866 -17.112 -9.270 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.111 -17.081 -7.535 1.00 0.00 H new ATOM 511 N GLU A 31 2.021 -12.525 -10.347 1.00 0.00 N ATOM 512 CA GLU A 31 1.866 -11.868 -11.633 1.00 0.00 C ATOM 513 C GLU A 31 2.619 -10.537 -11.644 1.00 0.00 C ATOM 514 O GLU A 31 2.965 -10.007 -10.589 1.00 0.00 O ATOM 515 CB GLU A 31 0.387 -11.665 -11.970 1.00 0.00 C ATOM 516 CG GLU A 31 -0.254 -10.646 -11.026 1.00 0.00 C ATOM 517 CD GLU A 31 -1.357 -9.858 -11.737 1.00 0.00 C ATOM 518 OE1 GLU A 31 -1.186 -9.611 -12.950 1.00 0.00 O ATOM 519 OE2 GLU A 31 -2.346 -9.522 -11.051 1.00 0.00 O ATOM 0 H GLU A 31 2.015 -11.896 -9.544 1.00 0.00 H new ATOM 0 HA GLU A 31 2.295 -12.511 -12.401 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.288 -11.324 -13.001 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.140 -12.616 -11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.670 -11.159 -10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.507 -9.959 -10.655 1.00 0.00 H new ATOM 526 N PHE A 32 2.852 -10.035 -12.848 1.00 0.00 N ATOM 527 CA PHE A 32 3.558 -8.775 -13.010 1.00 0.00 C ATOM 528 C PHE A 32 2.748 -7.614 -12.430 1.00 0.00 C ATOM 529 O PHE A 32 1.906 -7.036 -13.116 1.00 0.00 O ATOM 530 CB PHE A 32 3.740 -8.554 -14.513 1.00 0.00 C ATOM 531 CG PHE A 32 4.754 -9.498 -15.162 1.00 0.00 C ATOM 532 CD1 PHE A 32 6.012 -9.597 -14.656 1.00 0.00 C ATOM 533 CD2 PHE A 32 4.397 -10.238 -16.246 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.953 -10.473 -15.258 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.338 -11.115 -16.848 1.00 0.00 C ATOM 536 CZ PHE A 32 6.596 -11.213 -16.342 1.00 0.00 C ATOM 0 H PHE A 32 2.564 -10.478 -13.721 1.00 0.00 H new ATOM 0 HA PHE A 32 4.513 -8.814 -12.486 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.776 -8.677 -15.007 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.056 -7.525 -14.683 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.296 -9.009 -13.796 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.398 -10.159 -16.649 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.952 -10.552 -14.855 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.054 -11.704 -17.708 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.312 -11.879 -16.801 1.00 0.00 H new ATOM 546 N LEU A 33 3.030 -7.307 -11.172 1.00 0.00 N ATOM 547 CA LEU A 33 2.338 -6.225 -10.493 1.00 0.00 C ATOM 548 C LEU A 33 3.288 -5.036 -10.336 1.00 0.00 C ATOM 549 O LEU A 33 4.450 -5.210 -9.970 1.00 0.00 O ATOM 550 CB LEU A 33 1.744 -6.716 -9.171 1.00 0.00 C ATOM 551 CG LEU A 33 0.219 -6.662 -9.060 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.442 -7.089 -10.372 1.00 0.00 C ATOM 553 CD2 LEU A 33 -0.274 -7.492 -7.873 1.00 0.00 C ATOM 0 H LEU A 33 3.728 -7.789 -10.606 1.00 0.00 H new ATOM 0 HA LEU A 33 1.492 -5.881 -11.088 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.064 -7.746 -9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.169 -6.122 -8.362 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.073 -5.629 -8.874 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.526 -7.042 -10.266 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.126 -6.420 -11.173 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.145 -8.110 -10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.361 -7.437 -7.817 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.030 -8.530 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.157 -7.101 -6.951 1.00 0.00 H new ATOM 565 N PRO A 34 2.746 -3.824 -10.629 1.00 0.00 N ATOM 566 CA PRO A 34 3.532 -2.607 -10.525 1.00 0.00 C ATOM 567 C PRO A 34 3.728 -2.205 -9.061 1.00 0.00 C ATOM 568 O PRO A 34 2.759 -1.938 -8.353 1.00 0.00 O ATOM 569 CB PRO A 34 2.763 -1.571 -11.328 1.00 0.00 C ATOM 570 CG PRO A 34 1.350 -2.114 -11.463 1.00 0.00 C ATOM 571 CD PRO A 34 1.374 -3.581 -11.066 1.00 0.00 C ATOM 0 HA PRO A 34 4.542 -2.724 -10.917 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.764 -0.605 -10.822 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.218 -1.419 -12.307 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.664 -1.557 -10.824 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.994 -2.002 -12.487 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.662 -3.787 -10.267 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.106 -4.223 -11.905 1.00 0.00 H new ATOM 579 N ALA A 35 4.988 -2.174 -8.653 1.00 0.00 N ATOM 580 CA ALA A 35 5.323 -1.808 -7.287 1.00 0.00 C ATOM 581 C ALA A 35 6.538 -0.879 -7.296 1.00 0.00 C ATOM 582 O ALA A 35 7.586 -1.227 -7.836 1.00 0.00 O ATOM 583 CB ALA A 35 5.564 -3.075 -6.464 1.00 0.00 C ATOM 0 H ALA A 35 5.789 -2.396 -9.244 1.00 0.00 H new ATOM 0 HA ALA A 35 4.499 -1.268 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 35 5.815 -2.801 -5.439 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.662 -3.687 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.387 -3.641 -6.900 1.00 0.00 H new ATOM 589 N PRO A 36 6.351 0.317 -6.674 1.00 0.00 N ATOM 590 CA PRO A 36 7.420 1.299 -6.605 1.00 0.00 C ATOM 591 C PRO A 36 8.476 0.890 -5.577 1.00 0.00 C ATOM 592 O PRO A 36 8.162 0.694 -4.404 1.00 0.00 O ATOM 593 CB PRO A 36 6.729 2.608 -6.259 1.00 0.00 C ATOM 594 CG PRO A 36 5.372 2.225 -5.692 1.00 0.00 C ATOM 595 CD PRO A 36 5.123 0.763 -6.023 1.00 0.00 C ATOM 0 HA PRO A 36 7.969 1.389 -7.542 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.310 3.176 -5.532 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.620 3.238 -7.142 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.351 2.381 -4.613 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.589 2.852 -6.120 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.918 0.183 -5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.261 0.647 -6.680 1.00 0.00 H new ATOM 603 N GLU A 37 9.706 0.773 -6.054 1.00 0.00 N ATOM 604 CA GLU A 37 10.810 0.390 -5.190 1.00 0.00 C ATOM 605 C GLU A 37 11.628 1.622 -4.797 1.00 0.00 C ATOM 606 O GLU A 37 12.243 2.261 -5.649 1.00 0.00 O ATOM 607 CB GLU A 37 11.694 -0.663 -5.863 1.00 0.00 C ATOM 608 CG GLU A 37 12.600 -0.025 -6.918 1.00 0.00 C ATOM 609 CD GLU A 37 13.056 -1.061 -7.948 1.00 0.00 C ATOM 610 OE1 GLU A 37 14.032 -1.777 -7.638 1.00 0.00 O ATOM 611 OE2 GLU A 37 12.418 -1.113 -9.021 1.00 0.00 O ATOM 0 H GLU A 37 9.963 0.937 -7.027 1.00 0.00 H new ATOM 0 HA GLU A 37 10.399 -0.054 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.303 -1.166 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.068 -1.425 -6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.067 0.782 -7.420 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.470 0.420 -6.435 1.00 0.00 H new ATOM 618 N ASP A 38 11.609 1.918 -3.506 1.00 0.00 N ATOM 619 CA ASP A 38 12.341 3.062 -2.989 1.00 0.00 C ATOM 620 C ASP A 38 11.817 4.338 -3.650 1.00 0.00 C ATOM 621 O ASP A 38 12.186 4.654 -4.780 1.00 0.00 O ATOM 622 CB ASP A 38 13.835 2.947 -3.303 1.00 0.00 C ATOM 623 CG ASP A 38 14.758 3.014 -2.085 1.00 0.00 C ATOM 624 OD1 ASP A 38 14.272 3.475 -1.029 1.00 0.00 O ATOM 625 OD2 ASP A 38 15.928 2.603 -2.236 1.00 0.00 O ATOM 0 H ASP A 38 11.098 1.385 -2.802 1.00 0.00 H new ATOM 0 HA ASP A 38 12.200 3.093 -1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.010 2.005 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.109 3.746 -3.992 1.00 0.00 H new ATOM 630 N VAL A 39 10.963 5.038 -2.916 1.00 0.00 N ATOM 631 CA VAL A 39 10.384 6.273 -3.417 1.00 0.00 C ATOM 632 C VAL A 39 10.887 7.446 -2.573 1.00 0.00 C ATOM 633 O VAL A 39 11.148 7.291 -1.381 1.00 0.00 O ATOM 634 CB VAL A 39 8.858 6.164 -3.439 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.356 5.792 -4.836 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.365 5.161 -2.394 1.00 0.00 C ATOM 0 H VAL A 39 10.659 4.773 -1.979 1.00 0.00 H new ATOM 0 HA VAL A 39 10.699 6.453 -4.445 1.00 0.00 H new ATOM 0 HB VAL A 39 8.448 7.141 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.268 5.721 -4.825 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.662 6.558 -5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.779 4.832 -5.131 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.277 5.103 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.788 4.179 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.678 5.486 -1.402 1.00 0.00 H new ATOM 646 N GLU A 40 11.007 8.593 -3.224 1.00 0.00 N ATOM 647 CA GLU A 40 11.474 9.792 -2.548 1.00 0.00 C ATOM 648 C GLU A 40 10.593 10.094 -1.335 1.00 0.00 C ATOM 649 O GLU A 40 9.444 9.661 -1.274 1.00 0.00 O ATOM 650 CB GLU A 40 11.513 10.983 -3.508 1.00 0.00 C ATOM 651 CG GLU A 40 12.134 12.209 -2.836 1.00 0.00 C ATOM 652 CD GLU A 40 12.826 13.106 -3.864 1.00 0.00 C ATOM 653 OE1 GLU A 40 12.101 13.643 -4.729 1.00 0.00 O ATOM 654 OE2 GLU A 40 14.066 13.234 -3.762 1.00 0.00 O ATOM 0 H GLU A 40 10.789 8.718 -4.213 1.00 0.00 H new ATOM 0 HA GLU A 40 12.491 9.616 -2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.088 10.720 -4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.502 11.219 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.360 12.775 -2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.855 11.890 -2.083 1.00 0.00 H new ATOM 661 N THR A 41 11.166 10.835 -0.398 1.00 0.00 N ATOM 662 CA THR A 41 10.447 11.201 0.811 1.00 0.00 C ATOM 663 C THR A 41 9.060 11.743 0.463 1.00 0.00 C ATOM 664 O THR A 41 8.077 11.416 1.127 1.00 0.00 O ATOM 665 CB THR A 41 11.310 12.195 1.592 1.00 0.00 C ATOM 666 OG1 THR A 41 11.988 11.388 2.551 1.00 0.00 O ATOM 667 CG2 THR A 41 10.473 13.156 2.439 1.00 0.00 C ATOM 0 H THR A 41 12.120 11.192 -0.451 1.00 0.00 H new ATOM 0 HA THR A 41 10.272 10.332 1.445 1.00 0.00 H new ATOM 0 HB THR A 41 11.926 12.765 0.897 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.571 11.953 3.100 1.00 0.00 H new ATOM 0 HG21 THR A 41 11.133 13.840 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.807 13.726 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.882 12.588 3.157 1.00 0.00 H new ATOM 675 N ASN A 42 9.023 12.562 -0.578 1.00 0.00 N ATOM 676 CA ASN A 42 7.772 13.152 -1.022 1.00 0.00 C ATOM 677 C ASN A 42 7.321 12.468 -2.314 1.00 0.00 C ATOM 678 O ASN A 42 6.847 13.128 -3.237 1.00 0.00 O ATOM 679 CB ASN A 42 7.940 14.645 -1.311 1.00 0.00 C ATOM 680 CG ASN A 42 7.277 15.492 -0.223 1.00 0.00 C ATOM 681 OD1 ASN A 42 7.912 15.963 0.706 1.00 0.00 O ATOM 682 ND2 ASN A 42 5.968 15.659 -0.390 1.00 0.00 N ATOM 0 H ASN A 42 9.840 12.831 -1.127 1.00 0.00 H new ATOM 0 HA ASN A 42 7.036 13.018 -0.229 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.000 14.890 -1.372 1.00 0.00 H new ATOM 0 HB3 ASN A 42 7.501 14.883 -2.280 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.434 16.209 0.283 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.498 15.237 -1.191 1.00 0.00 H new ATOM 689 N CYS A 43 7.484 11.153 -2.338 1.00 0.00 N ATOM 690 CA CYS A 43 7.099 10.372 -3.501 1.00 0.00 C ATOM 691 C CYS A 43 6.239 9.199 -3.028 1.00 0.00 C ATOM 692 O CYS A 43 5.243 8.859 -3.665 1.00 0.00 O ATOM 693 CB CYS A 43 8.319 9.903 -4.296 1.00 0.00 C ATOM 694 SG CYS A 43 8.810 11.005 -5.671 1.00 0.00 S ATOM 0 H CYS A 43 7.878 10.609 -1.570 1.00 0.00 H new ATOM 0 HA CYS A 43 6.520 10.993 -4.184 1.00 0.00 H new ATOM 0 HB2 CYS A 43 9.162 9.800 -3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.113 8.912 -4.700 1.00 0.00 H new ATOM 0 HG CYS A 43 10.102 10.973 -5.813 1.00 0.00 H new ATOM 699 N GLU A 44 6.656 8.611 -1.916 1.00 0.00 N ATOM 700 CA GLU A 44 5.936 7.482 -1.351 1.00 0.00 C ATOM 701 C GLU A 44 4.428 7.670 -1.533 1.00 0.00 C ATOM 702 O GLU A 44 3.691 6.696 -1.675 1.00 0.00 O ATOM 703 CB GLU A 44 6.291 7.289 0.124 1.00 0.00 C ATOM 704 CG GLU A 44 7.800 7.108 0.306 1.00 0.00 C ATOM 705 CD GLU A 44 8.327 8.001 1.431 1.00 0.00 C ATOM 706 OE1 GLU A 44 7.703 9.062 1.654 1.00 0.00 O ATOM 707 OE2 GLU A 44 9.341 7.604 2.043 1.00 0.00 O ATOM 0 H GLU A 44 7.483 8.895 -1.391 1.00 0.00 H new ATOM 0 HA GLU A 44 6.237 6.580 -1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.953 8.151 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.767 6.418 0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.020 6.065 0.532 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.314 7.348 -0.625 1.00 0.00 H new ATOM 714 N TRP A 45 4.015 8.929 -1.522 1.00 0.00 N ATOM 715 CA TRP A 45 2.609 9.256 -1.683 1.00 0.00 C ATOM 716 C TRP A 45 2.254 9.102 -3.164 1.00 0.00 C ATOM 717 O TRP A 45 1.369 8.324 -3.516 1.00 0.00 O ATOM 718 CB TRP A 45 2.305 10.653 -1.138 1.00 0.00 C ATOM 719 CG TRP A 45 2.259 10.728 0.390 1.00 0.00 C ATOM 720 CD1 TRP A 45 3.221 11.142 1.225 1.00 0.00 C ATOM 721 CD2 TRP A 45 1.148 10.360 1.235 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.814 11.069 2.542 1.00 0.00 N ATOM 723 CE2 TRP A 45 1.514 10.578 2.548 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.123 9.861 0.902 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.665 10.324 3.632 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -0.959 9.611 1.996 1.00 0.00 C ATOM 727 CH2 TRP A 45 -0.606 9.825 3.324 1.00 0.00 C ATOM 0 H TRP A 45 4.630 9.734 -1.404 1.00 0.00 H new ATOM 0 HA TRP A 45 1.986 8.575 -1.103 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.062 11.347 -1.503 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.347 10.987 -1.537 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.193 11.489 0.908 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.366 11.328 3.360 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.430 9.684 -0.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.974 10.503 4.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.947 9.225 1.795 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.309 9.607 4.114 1.00 0.00 H new ATOM 738 N SER A 46 2.963 9.856 -3.990 1.00 0.00 N ATOM 739 CA SER A 46 2.735 9.814 -5.425 1.00 0.00 C ATOM 740 C SER A 46 2.821 8.370 -5.926 1.00 0.00 C ATOM 741 O SER A 46 2.302 8.048 -6.993 1.00 0.00 O ATOM 742 CB SER A 46 3.739 10.695 -6.169 1.00 0.00 C ATOM 743 OG SER A 46 5.049 10.134 -6.163 1.00 0.00 O ATOM 0 H SER A 46 3.696 10.500 -3.693 1.00 0.00 H new ATOM 0 HA SER A 46 1.736 10.202 -5.624 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.408 10.832 -7.198 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.766 11.683 -5.709 1.00 0.00 H new ATOM 0 HG SER A 46 5.189 9.639 -5.329 1.00 0.00 H new ATOM 749 N ALA A 47 3.481 7.541 -5.131 1.00 0.00 N ATOM 750 CA ALA A 47 3.642 6.139 -5.480 1.00 0.00 C ATOM 751 C ALA A 47 2.433 5.350 -4.975 1.00 0.00 C ATOM 752 O ALA A 47 2.133 4.272 -5.487 1.00 0.00 O ATOM 753 CB ALA A 47 4.961 5.618 -4.905 1.00 0.00 C ATOM 0 H ALA A 47 3.910 7.813 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 47 3.687 6.015 -6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.082 4.567 -5.167 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.790 6.192 -5.318 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.952 5.723 -3.820 1.00 0.00 H new ATOM 759 N PHE A 48 1.771 5.917 -3.977 1.00 0.00 N ATOM 760 CA PHE A 48 0.601 5.279 -3.397 1.00 0.00 C ATOM 761 C PHE A 48 -0.409 4.899 -4.481 1.00 0.00 C ATOM 762 O PHE A 48 -1.218 3.992 -4.289 1.00 0.00 O ATOM 763 CB PHE A 48 -0.040 6.297 -2.452 1.00 0.00 C ATOM 764 CG PHE A 48 -1.183 5.729 -1.608 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.426 5.600 -2.144 1.00 0.00 C ATOM 766 CD2 PHE A 48 -0.954 5.352 -0.321 1.00 0.00 C ATOM 767 CE1 PHE A 48 -3.486 5.073 -1.360 1.00 0.00 C ATOM 768 CE2 PHE A 48 -2.014 4.824 0.463 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.258 4.695 -0.073 1.00 0.00 C ATOM 0 H PHE A 48 2.022 6.811 -3.555 1.00 0.00 H new ATOM 0 HA PHE A 48 0.893 4.368 -2.875 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.727 6.693 -1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.417 7.135 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.607 5.898 -3.166 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.033 5.454 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.474 4.972 -1.785 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.833 4.525 1.485 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.064 4.293 0.523 1.00 0.00 H new ATOM 779 N SER A 49 -0.330 5.611 -5.595 1.00 0.00 N ATOM 780 CA SER A 49 -1.228 5.360 -6.709 1.00 0.00 C ATOM 781 C SER A 49 -0.761 4.130 -7.491 1.00 0.00 C ATOM 782 O SER A 49 -1.578 3.385 -8.029 1.00 0.00 O ATOM 783 CB SER A 49 -1.313 6.576 -7.634 1.00 0.00 C ATOM 784 OG SER A 49 -2.648 6.829 -8.062 1.00 0.00 O ATOM 0 H SER A 49 0.342 6.362 -5.750 1.00 0.00 H new ATOM 0 HA SER A 49 -2.224 5.172 -6.309 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.926 7.453 -7.116 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.678 6.414 -8.505 1.00 0.00 H new ATOM 0 HG SER A 49 -2.660 7.614 -8.649 1.00 0.00 H new ATOM 790 N CYS A 50 0.552 3.956 -7.528 1.00 0.00 N ATOM 791 CA CYS A 50 1.138 2.830 -8.235 1.00 0.00 C ATOM 792 C CYS A 50 0.443 1.552 -7.761 1.00 0.00 C ATOM 793 O CYS A 50 -0.017 0.753 -8.575 1.00 0.00 O ATOM 794 CB CYS A 50 2.653 2.763 -8.035 1.00 0.00 C ATOM 795 SG CYS A 50 3.634 2.830 -9.579 1.00 0.00 S ATOM 0 H CYS A 50 1.227 4.576 -7.080 1.00 0.00 H new ATOM 0 HA CYS A 50 0.984 2.950 -9.307 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.957 3.588 -7.391 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.895 1.841 -7.507 1.00 0.00 H new ATOM 0 HG CYS A 50 4.900 2.768 -9.292 1.00 0.00 H new ATOM 800 N PHE A 51 0.390 1.398 -6.446 1.00 0.00 N ATOM 801 CA PHE A 51 -0.241 0.231 -5.854 1.00 0.00 C ATOM 802 C PHE A 51 -1.722 0.157 -6.231 1.00 0.00 C ATOM 803 O PHE A 51 -2.284 -0.931 -6.345 1.00 0.00 O ATOM 804 CB PHE A 51 -0.120 0.378 -4.336 1.00 0.00 C ATOM 805 CG PHE A 51 1.306 0.220 -3.807 1.00 0.00 C ATOM 806 CD1 PHE A 51 1.766 -1.010 -3.450 1.00 0.00 C ATOM 807 CD2 PHE A 51 2.114 1.308 -3.693 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.090 -1.157 -2.959 1.00 0.00 C ATOM 809 CE2 PHE A 51 3.439 1.160 -3.202 1.00 0.00 C ATOM 810 CZ PHE A 51 3.899 -0.069 -2.845 1.00 0.00 C ATOM 0 H PHE A 51 0.774 2.062 -5.774 1.00 0.00 H new ATOM 0 HA PHE A 51 0.244 -0.676 -6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.498 1.358 -4.045 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.758 -0.365 -3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.124 -1.874 -3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.749 2.284 -3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.455 -2.133 -2.676 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.081 2.024 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.906 -0.181 -2.471 1.00 0.00 H new ATOM 820 N GLN A 52 -2.312 1.329 -6.415 1.00 0.00 N ATOM 821 CA GLN A 52 -3.717 1.411 -6.777 1.00 0.00 C ATOM 822 C GLN A 52 -3.973 0.659 -8.085 1.00 0.00 C ATOM 823 O GLN A 52 -5.072 0.155 -8.311 1.00 0.00 O ATOM 824 CB GLN A 52 -4.171 2.868 -6.885 1.00 0.00 C ATOM 825 CG GLN A 52 -5.304 3.163 -5.900 1.00 0.00 C ATOM 826 CD GLN A 52 -6.456 3.894 -6.593 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.327 4.410 -7.691 1.00 0.00 O ATOM 828 NE2 GLN A 52 -7.586 3.911 -5.892 1.00 0.00 N ATOM 0 H GLN A 52 -1.843 2.230 -6.320 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.303 0.939 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.329 3.531 -6.686 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -4.505 3.074 -7.902 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.668 2.230 -5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.926 3.769 -5.077 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.626 3.459 -4.978 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.413 4.376 -6.268 1.00 0.00 H new ATOM 837 N LYS A 53 -2.939 0.607 -8.913 1.00 0.00 N ATOM 838 CA LYS A 53 -3.038 -0.075 -10.192 1.00 0.00 C ATOM 839 C LYS A 53 -2.779 -1.569 -9.990 1.00 0.00 C ATOM 840 O LYS A 53 -3.394 -2.404 -10.651 1.00 0.00 O ATOM 841 CB LYS A 53 -2.111 0.577 -11.220 1.00 0.00 C ATOM 842 CG LYS A 53 -2.109 2.099 -11.069 1.00 0.00 C ATOM 843 CD LYS A 53 -3.522 2.667 -11.223 1.00 0.00 C ATOM 844 CE LYS A 53 -3.585 3.673 -12.374 1.00 0.00 C ATOM 845 NZ LYS A 53 -4.991 3.931 -12.760 1.00 0.00 N ATOM 0 H LYS A 53 -2.029 1.026 -8.723 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.045 0.022 -10.599 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.098 0.194 -11.096 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.432 0.308 -12.226 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.708 2.371 -10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.452 2.541 -11.817 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.226 1.855 -11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.827 3.151 -10.295 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.106 4.606 -12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.031 3.290 -13.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.016 4.616 -13.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.436 3.042 -13.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.509 4.317 -11.945 1.00 0.00 H new ATOM 859 N ALA A 54 -1.868 -1.860 -9.073 1.00 0.00 N ATOM 860 CA ALA A 54 -1.520 -3.239 -8.776 1.00 0.00 C ATOM 861 C ALA A 54 -2.729 -3.944 -8.159 1.00 0.00 C ATOM 862 O ALA A 54 -3.147 -3.612 -7.050 1.00 0.00 O ATOM 863 CB ALA A 54 -0.296 -3.271 -7.859 1.00 0.00 C ATOM 0 H ALA A 54 -1.360 -1.165 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.257 -3.773 -9.689 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.035 -4.306 -7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.543 -2.784 -8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.523 -2.746 -6.931 1.00 0.00 H new ATOM 869 N GLN A 55 -3.258 -4.904 -8.903 1.00 0.00 N ATOM 870 CA GLN A 55 -4.412 -5.659 -8.443 1.00 0.00 C ATOM 871 C GLN A 55 -3.969 -7.005 -7.866 1.00 0.00 C ATOM 872 O GLN A 55 -3.229 -7.747 -8.510 1.00 0.00 O ATOM 873 CB GLN A 55 -5.426 -5.852 -9.572 1.00 0.00 C ATOM 874 CG GLN A 55 -6.611 -6.701 -9.105 1.00 0.00 C ATOM 875 CD GLN A 55 -7.013 -7.718 -10.175 1.00 0.00 C ATOM 876 OE1 GLN A 55 -6.196 -8.215 -10.933 1.00 0.00 O ATOM 877 NE2 GLN A 55 -8.313 -7.998 -10.194 1.00 0.00 N ATOM 0 H GLN A 55 -2.909 -5.177 -9.822 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.903 -5.091 -7.653 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.783 -4.881 -9.915 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.942 -6.333 -10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.349 -7.221 -8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.458 -6.055 -8.876 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.942 -7.546 -9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.681 -8.665 -10.872 1.00 0.00 H new ATOM 886 N LEU A 56 -4.442 -7.280 -6.659 1.00 0.00 N ATOM 887 CA LEU A 56 -4.104 -8.524 -5.988 1.00 0.00 C ATOM 888 C LEU A 56 -5.182 -9.568 -6.288 1.00 0.00 C ATOM 889 O LEU A 56 -6.374 -9.273 -6.219 1.00 0.00 O ATOM 890 CB LEU A 56 -3.879 -8.283 -4.494 1.00 0.00 C ATOM 891 CG LEU A 56 -3.434 -9.498 -3.679 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.594 -10.473 -3.469 1.00 0.00 C ATOM 893 CD2 LEU A 56 -2.224 -10.178 -4.324 1.00 0.00 C ATOM 0 H LEU A 56 -5.057 -6.663 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.162 -8.919 -6.368 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.129 -7.500 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.805 -7.901 -4.064 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.122 -9.152 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.250 -11.328 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.400 -9.970 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.960 -10.817 -4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.928 -11.039 -3.724 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.485 -10.509 -5.329 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.396 -9.472 -4.378 1.00 0.00 H new ATOM 905 N LYS A 57 -4.723 -10.768 -6.614 1.00 0.00 N ATOM 906 CA LYS A 57 -5.633 -11.857 -6.924 1.00 0.00 C ATOM 907 C LYS A 57 -5.112 -13.148 -6.287 1.00 0.00 C ATOM 908 O LYS A 57 -3.909 -13.403 -6.289 1.00 0.00 O ATOM 909 CB LYS A 57 -5.850 -11.961 -8.435 1.00 0.00 C ATOM 910 CG LYS A 57 -6.562 -13.265 -8.799 1.00 0.00 C ATOM 911 CD LYS A 57 -5.675 -14.147 -9.680 1.00 0.00 C ATOM 912 CE LYS A 57 -6.505 -15.209 -10.404 1.00 0.00 C ATOM 913 NZ LYS A 57 -6.672 -14.852 -11.831 1.00 0.00 N ATOM 0 H LYS A 57 -3.734 -11.009 -6.670 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.617 -11.664 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.440 -11.112 -8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.890 -11.912 -8.948 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.828 -13.804 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.492 -13.042 -9.321 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.152 -13.529 -10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.914 -14.630 -9.068 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.017 -16.180 -10.321 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.482 -15.302 -9.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.238 -15.583 -12.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.158 -13.935 -11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.738 -14.786 -12.284 1.00 0.00 H new ATOM 927 N SER A 58 -6.044 -13.927 -5.759 1.00 0.00 N ATOM 928 CA SER A 58 -5.694 -15.184 -5.120 1.00 0.00 C ATOM 929 C SER A 58 -5.303 -16.218 -6.178 1.00 0.00 C ATOM 930 O SER A 58 -5.631 -16.062 -7.354 1.00 0.00 O ATOM 931 CB SER A 58 -6.851 -15.709 -4.267 1.00 0.00 C ATOM 932 OG SER A 58 -6.397 -16.270 -3.038 1.00 0.00 O ATOM 0 H SER A 58 -7.041 -13.712 -5.761 1.00 0.00 H new ATOM 0 HA SER A 58 -4.843 -15.008 -4.462 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.546 -14.896 -4.059 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.402 -16.464 -4.828 1.00 0.00 H new ATOM 0 HG SER A 58 -5.516 -15.902 -2.816 1.00 0.00 H new ATOM 938 N ALA A 59 -4.608 -17.250 -5.723 1.00 0.00 N ATOM 939 CA ALA A 59 -4.169 -18.308 -6.616 1.00 0.00 C ATOM 940 C ALA A 59 -5.321 -19.291 -6.841 1.00 0.00 C ATOM 941 O ALA A 59 -5.134 -20.503 -6.752 1.00 0.00 O ATOM 942 CB ALA A 59 -2.929 -18.988 -6.032 1.00 0.00 C ATOM 0 H ALA A 59 -4.338 -17.376 -4.747 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.890 -17.899 -7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.600 -19.782 -6.702 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.131 -18.254 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.172 -19.413 -5.058 1.00 0.00 H new ATOM 948 N ASN A 60 -6.487 -18.730 -7.128 1.00 0.00 N ATOM 949 CA ASN A 60 -7.668 -19.542 -7.366 1.00 0.00 C ATOM 950 C ASN A 60 -7.672 -20.726 -6.398 1.00 0.00 C ATOM 951 O ASN A 60 -8.180 -21.798 -6.724 1.00 0.00 O ATOM 952 CB ASN A 60 -7.677 -20.097 -8.792 1.00 0.00 C ATOM 953 CG ASN A 60 -7.181 -19.050 -9.791 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.944 -18.286 -10.359 1.00 0.00 O ATOM 955 ND2 ASN A 60 -5.863 -19.057 -9.973 1.00 0.00 N ATOM 0 H ASN A 60 -6.639 -17.724 -7.201 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.545 -18.912 -7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.045 -20.983 -8.845 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.687 -20.409 -9.058 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.434 -18.396 -10.620 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.282 -19.724 -9.465 1.00 0.00 H new ATOM 997 N ASN A 64 -8.436 -19.079 0.868 1.00 0.00 N ATOM 998 CA ASN A 64 -8.419 -17.686 1.279 1.00 0.00 C ATOM 999 C ASN A 64 -8.537 -16.791 0.044 1.00 0.00 C ATOM 1000 O ASN A 64 -7.809 -15.809 -0.088 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.110 -17.338 1.991 1.00 0.00 C ATOM 1002 CG ASN A 64 -6.456 -18.590 2.579 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -5.347 -18.964 2.233 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -7.202 -19.215 3.485 1.00 0.00 N ATOM 0 HA ASN A 64 -9.255 -17.526 1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.426 -16.861 1.289 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.304 -16.618 2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.854 -20.061 3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.122 -18.848 3.729 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.459 -17.164 -0.831 1.00 0.00 N ATOM 1012 CA GLU A 65 -9.682 -16.408 -2.052 1.00 0.00 C ATOM 1013 C GLU A 65 -10.596 -15.213 -1.777 1.00 0.00 C ATOM 1014 O GLU A 65 -10.257 -14.078 -2.108 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.261 -17.301 -3.151 1.00 0.00 C ATOM 1016 CG GLU A 65 -9.797 -16.839 -4.534 1.00 0.00 C ATOM 1017 CD GLU A 65 -10.979 -16.720 -5.498 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -11.591 -17.774 -5.779 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.245 -15.579 -5.933 1.00 0.00 O ATOM 0 H GLU A 65 -10.061 -17.980 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 65 -8.722 -16.031 -2.404 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.952 -18.333 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.350 -17.282 -3.104 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.294 -15.876 -4.450 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -9.069 -17.546 -4.932 1.00 0.00 H new ATOM 1026 N ARG A 66 -11.738 -15.509 -1.174 1.00 0.00 N ATOM 1027 CA ARG A 66 -12.704 -14.473 -0.850 1.00 0.00 C ATOM 1028 C ARG A 66 -12.148 -13.548 0.235 1.00 0.00 C ATOM 1029 O ARG A 66 -12.340 -12.335 0.180 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.022 -15.080 -0.366 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.012 -13.987 0.043 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.283 -13.030 -1.120 1.00 0.00 C ATOM 1033 NE ARG A 66 -16.738 -12.950 -1.380 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.417 -13.829 -2.130 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -16.776 -14.860 -2.698 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -18.736 -13.677 -2.312 1.00 0.00 N ATOM 0 H ARG A 66 -12.016 -16.452 -0.901 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.892 -13.901 -1.758 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.457 -15.692 -1.156 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.833 -15.740 0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.947 -14.442 0.370 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.615 -13.430 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.892 -12.040 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -14.764 -13.375 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.256 -12.177 -0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.772 -14.975 -2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.292 -15.529 -3.269 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.223 -12.892 -1.880 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.253 -14.346 -2.883 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.469 -14.158 1.195 1.00 0.00 N ATOM 1051 CA ILE A 67 -10.883 -13.405 2.291 1.00 0.00 C ATOM 1052 C ILE A 67 -9.789 -12.486 1.745 1.00 0.00 C ATOM 1053 O ILE A 67 -9.320 -11.588 2.445 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.399 -14.350 3.393 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.214 -13.602 4.715 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.126 -15.084 2.966 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -11.473 -12.813 5.079 1.00 0.00 C ATOM 0 H ILE A 67 -11.311 -15.165 1.237 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.633 -12.766 2.758 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.167 -15.106 3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.983 -14.312 5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.365 -12.923 4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.803 -15.749 3.767 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.327 -15.668 2.068 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.340 -14.358 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.315 -12.291 6.023 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.687 -12.088 4.294 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.315 -13.498 5.180 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.412 -12.741 0.501 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.382 -11.948 -0.147 1.00 0.00 C ATOM 1071 C ILE A 68 -9.025 -10.731 -0.816 1.00 0.00 C ATOM 1072 O ILE A 68 -8.534 -9.612 -0.682 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.561 -12.814 -1.105 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.101 -12.896 -0.656 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.692 -12.313 -2.545 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -5.888 -14.065 0.308 1.00 0.00 C ATOM 0 H ILE A 68 -9.802 -13.486 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.674 -11.570 0.590 1.00 0.00 H new ATOM 0 HB ILE A 68 -7.962 -13.827 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.455 -13.015 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.813 -11.963 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.099 -12.946 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.738 -12.350 -2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.332 -11.286 -2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -4.842 -14.100 0.612 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.517 -13.930 1.188 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.154 -14.999 -0.188 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.115 -10.992 -1.522 1.00 0.00 N ATOM 1089 CA ASN A 69 -10.831 -9.933 -2.212 1.00 0.00 C ATOM 1090 C ASN A 69 -11.138 -8.804 -1.226 1.00 0.00 C ATOM 1091 O ASN A 69 -11.121 -7.631 -1.596 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.160 -10.442 -2.776 1.00 0.00 C ATOM 1093 CG ASN A 69 -12.770 -9.427 -3.744 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -12.654 -9.535 -4.953 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -13.425 -8.436 -3.146 1.00 0.00 N ATOM 0 H ASN A 69 -10.520 -11.922 -1.631 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.203 -9.580 -3.030 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.002 -11.390 -3.290 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.856 -10.634 -1.959 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -13.868 -7.707 -3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -13.484 -8.405 -2.128 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.411 -9.198 0.009 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.721 -8.234 1.051 1.00 0.00 C ATOM 1104 C VAL A 70 -10.598 -7.198 1.131 1.00 0.00 C ATOM 1105 O VAL A 70 -10.848 -6.026 1.409 1.00 0.00 O ATOM 1106 CB VAL A 70 -11.963 -8.957 2.377 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -12.888 -10.160 2.185 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.641 -9.378 3.021 1.00 0.00 C ATOM 0 H VAL A 70 -11.424 -10.172 0.312 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.641 -7.699 0.815 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.457 -8.260 3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.043 -10.656 3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.847 -9.823 1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.434 -10.860 1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.842 -9.890 3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.107 -10.050 2.349 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.031 -8.495 3.211 1.00 0.00 H new ATOM 1118 N SER A 71 -9.384 -7.667 0.882 1.00 0.00 N ATOM 1119 CA SER A 71 -8.222 -6.796 0.923 1.00 0.00 C ATOM 1120 C SER A 71 -8.153 -5.955 -0.353 1.00 0.00 C ATOM 1121 O SER A 71 -7.774 -4.786 -0.311 1.00 0.00 O ATOM 1122 CB SER A 71 -6.934 -7.603 1.096 1.00 0.00 C ATOM 1123 OG SER A 71 -6.972 -8.426 2.259 1.00 0.00 O ATOM 0 H SER A 71 -9.180 -8.639 0.651 1.00 0.00 H new ATOM 0 HA SER A 71 -8.322 -6.134 1.783 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.776 -8.226 0.216 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.085 -6.922 1.161 1.00 0.00 H new ATOM 0 HG SER A 71 -6.715 -9.341 2.021 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.526 -6.583 -1.459 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.512 -5.908 -2.745 1.00 0.00 C ATOM 1131 C ILE A 72 -9.242 -4.569 -2.621 1.00 0.00 C ATOM 1132 O ILE A 72 -8.682 -3.521 -2.940 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.080 -6.819 -3.835 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -8.205 -8.060 -4.023 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.275 -6.051 -5.144 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.836 -9.029 -5.025 1.00 0.00 C ATOM 0 H ILE A 72 -8.840 -7.553 -1.490 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.488 -5.687 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.063 -7.164 -3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.216 -7.763 -4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.067 -8.561 -3.065 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.680 -6.721 -5.902 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.968 -5.226 -4.982 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.316 -5.658 -5.482 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -8.194 -9.902 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.814 -9.343 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.950 -8.533 -5.989 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.480 -4.647 -2.157 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.293 -3.454 -1.987 1.00 0.00 C ATOM 1150 C LYS A 73 -10.440 -2.346 -1.366 1.00 0.00 C ATOM 1151 O LYS A 73 -10.185 -1.324 -2.001 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.557 -3.776 -1.189 1.00 0.00 C ATOM 1153 CG LYS A 73 -13.796 -3.739 -2.086 1.00 0.00 C ATOM 1154 CD LYS A 73 -15.077 -3.688 -1.250 1.00 0.00 C ATOM 1155 CE LYS A 73 -15.852 -5.003 -1.354 1.00 0.00 C ATOM 1156 NZ LYS A 73 -16.366 -5.408 -0.027 1.00 0.00 N ATOM 0 H LYS A 73 -10.941 -5.518 -1.893 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.639 -3.088 -2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.463 -4.762 -0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.671 -3.059 -0.376 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.750 -2.869 -2.740 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.811 -4.620 -2.728 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.828 -3.490 -0.208 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.705 -2.864 -1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.681 -4.889 -2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.204 -5.783 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.889 -6.302 -0.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.570 -5.537 0.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -17.001 -4.670 0.339 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.021 -2.586 -0.132 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.202 -1.621 0.582 1.00 0.00 C ATOM 1172 C LYS A 74 -7.956 -1.304 -0.247 1.00 0.00 C ATOM 1173 O LYS A 74 -7.671 -0.141 -0.526 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.891 -2.123 1.993 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.794 -1.447 3.027 1.00 0.00 C ATOM 1176 CD LYS A 74 -9.031 -0.372 3.803 1.00 0.00 C ATOM 1177 CE LYS A 74 -9.961 0.771 4.214 1.00 0.00 C ATOM 1178 NZ LYS A 74 -11.092 0.255 5.019 1.00 0.00 N ATOM 0 H LYS A 74 -10.233 -3.435 0.392 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.744 -0.685 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.028 -3.204 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.846 -1.924 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.653 -0.999 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.182 -2.194 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.576 -0.813 4.690 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.219 0.018 3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.405 1.511 4.790 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.340 1.277 3.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.617 1.053 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.727 -0.300 4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.727 -0.350 5.782 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.247 -2.360 -0.618 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.038 -2.209 -1.410 1.00 0.00 C ATOM 1194 C LEU A 75 -6.271 -1.153 -2.492 1.00 0.00 C ATOM 1195 O LEU A 75 -5.352 -0.421 -2.859 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.584 -3.563 -1.959 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.576 -3.517 -3.109 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.164 -3.839 -2.613 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -5.005 -4.438 -4.253 1.00 0.00 C ATOM 0 H LEU A 75 -7.487 -3.324 -0.385 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.217 -1.853 -0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.146 -4.136 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.465 -4.110 -2.296 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.556 -2.501 -3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.467 -3.800 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.868 -3.109 -1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.151 -4.838 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.271 -4.386 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.072 -5.463 -3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.978 -4.122 -4.629 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.504 -1.107 -2.974 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.869 -0.153 -4.007 1.00 0.00 C ATOM 1213 C LYS A 76 -8.308 1.158 -3.352 1.00 0.00 C ATOM 1214 O LYS A 76 -9.342 1.720 -3.711 1.00 0.00 O ATOM 1215 CB LYS A 76 -8.919 -0.754 -4.944 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.260 -1.398 -6.165 1.00 0.00 C ATOM 1217 CD LYS A 76 -8.881 -0.877 -7.463 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.877 -1.886 -8.037 1.00 0.00 C ATOM 1219 NZ LYS A 76 -9.163 -3.034 -8.639 1.00 0.00 N ATOM 0 H LYS A 76 -8.263 -1.715 -2.668 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.008 0.077 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.506 -1.500 -4.408 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.611 0.024 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.191 -1.187 -6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.371 -2.481 -6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.386 0.071 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.096 -0.680 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.543 -2.237 -7.249 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.500 -1.403 -8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.827 -3.594 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.393 -2.685 -9.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.767 -3.631 -7.885 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.500 1.608 -2.403 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.792 2.842 -1.695 1.00 0.00 C ATOM 1235 C ARG A 77 -7.319 4.047 -2.511 1.00 0.00 C ATOM 1236 O ARG A 77 -6.479 3.909 -3.398 1.00 0.00 O ATOM 1237 CB ARG A 77 -7.112 2.865 -0.324 1.00 0.00 C ATOM 1238 CG ARG A 77 -8.005 3.537 0.720 1.00 0.00 C ATOM 1239 CD ARG A 77 -9.151 2.613 1.139 1.00 0.00 C ATOM 1240 NE ARG A 77 -10.429 3.107 0.580 1.00 0.00 N ATOM 1241 CZ ARG A 77 -11.090 4.175 1.046 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -10.596 4.869 2.081 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -12.243 4.551 0.477 1.00 0.00 N ATOM 0 H ARG A 77 -6.643 1.140 -2.108 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.871 2.895 -1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.883 1.846 -0.011 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.164 3.398 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.411 3.804 1.594 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.410 4.464 0.314 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.959 1.599 0.788 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.213 2.567 2.226 1.00 0.00 H new ATOM 0 HE ARG A 77 -10.832 2.603 -0.210 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.717 4.584 2.513 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -11.099 5.682 2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -12.618 4.024 -0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.746 5.364 0.832 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.880 5.201 -2.182 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.527 6.429 -2.873 1.00 0.00 C ATOM 1259 C LYS A 78 -6.627 7.277 -1.971 1.00 0.00 C ATOM 1260 O LYS A 78 -6.765 7.249 -0.749 1.00 0.00 O ATOM 1261 CB LYS A 78 -8.785 7.159 -3.347 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.646 7.595 -2.159 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.592 9.113 -1.972 1.00 0.00 C ATOM 1264 CE LYS A 78 -10.979 9.736 -2.143 1.00 0.00 C ATOM 1265 NZ LYS A 78 -10.977 10.706 -3.261 1.00 0.00 N ATOM 0 H LYS A 78 -8.577 5.311 -1.446 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.957 6.207 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.503 8.032 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.364 6.507 -4.000 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.678 7.281 -2.318 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.298 7.100 -1.252 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.204 9.347 -0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.902 9.548 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.714 8.954 -2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.276 10.235 -1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.926 11.120 -3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.290 11.461 -3.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.714 10.220 -4.142 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.703 8.029 -2.625 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.781 8.883 -1.895 1.00 0.00 C ATOM 1281 C PRO A 79 -5.488 10.138 -1.379 1.00 0.00 C ATOM 1282 O PRO A 79 -6.600 10.448 -1.804 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.667 9.193 -2.882 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.233 8.888 -4.259 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.511 8.087 -4.071 1.00 0.00 C ATOM 0 HA PRO A 79 -4.382 8.404 -1.001 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.359 10.236 -2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.785 8.585 -2.679 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.438 9.811 -4.801 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.513 8.324 -4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.356 8.568 -4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.419 7.089 -4.499 1.00 0.00 H new ATOM 1628 N LYS A 102 7.976 -4.451 -12.804 1.00 0.00 N ATOM 1629 CA LYS A 102 6.956 -5.235 -12.128 1.00 0.00 C ATOM 1630 C LYS A 102 7.573 -5.921 -10.907 1.00 0.00 C ATOM 1631 O LYS A 102 8.739 -5.696 -10.587 1.00 0.00 O ATOM 1632 CB LYS A 102 6.290 -6.204 -13.107 1.00 0.00 C ATOM 1633 CG LYS A 102 5.721 -5.459 -14.316 1.00 0.00 C ATOM 1634 CD LYS A 102 4.460 -4.680 -13.936 1.00 0.00 C ATOM 1635 CE LYS A 102 4.755 -3.183 -13.820 1.00 0.00 C ATOM 1636 NZ LYS A 102 3.621 -2.389 -14.344 1.00 0.00 N ATOM 0 HA LYS A 102 6.158 -4.589 -11.762 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.016 -6.945 -13.441 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.491 -6.746 -12.601 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.471 -4.774 -14.711 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.489 -6.170 -15.109 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.686 -4.845 -14.686 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.070 -5.052 -12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.938 -2.922 -12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.662 -2.941 -14.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 3.808 -1.377 -14.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.507 -2.575 -15.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 2.749 -2.657 -13.844 1.00 0.00 H new ATOM 1650 N LYS A 103 6.762 -6.744 -10.258 1.00 0.00 N ATOM 1651 CA LYS A 103 7.213 -7.463 -9.079 1.00 0.00 C ATOM 1652 C LYS A 103 6.150 -8.487 -8.675 1.00 0.00 C ATOM 1653 O LYS A 103 5.023 -8.444 -9.165 1.00 0.00 O ATOM 1654 CB LYS A 103 7.581 -6.485 -7.962 1.00 0.00 C ATOM 1655 CG LYS A 103 9.090 -6.239 -7.924 1.00 0.00 C ATOM 1656 CD LYS A 103 9.597 -6.158 -6.483 1.00 0.00 C ATOM 1657 CE LYS A 103 10.368 -4.858 -6.245 1.00 0.00 C ATOM 1658 NZ LYS A 103 11.820 -5.129 -6.142 1.00 0.00 N ATOM 0 H LYS A 103 5.795 -6.929 -10.527 1.00 0.00 H new ATOM 0 HA LYS A 103 8.125 -8.018 -9.297 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.059 -5.540 -8.114 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.249 -6.882 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.606 -7.042 -8.450 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.324 -5.312 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.755 -6.217 -5.794 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.242 -7.011 -6.272 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.179 -4.161 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 103 10.015 -4.381 -5.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.329 -4.237 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.997 -5.777 -5.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.155 -5.564 -7.025 1.00 0.00 H new ATOM 1672 N PRO A 104 6.558 -9.408 -7.761 1.00 0.00 N ATOM 1673 CA PRO A 104 5.654 -10.442 -7.285 1.00 0.00 C ATOM 1674 C PRO A 104 4.633 -9.866 -6.301 1.00 0.00 C ATOM 1675 O PRO A 104 4.711 -8.695 -5.935 1.00 0.00 O ATOM 1676 CB PRO A 104 6.554 -11.495 -6.660 1.00 0.00 C ATOM 1677 CG PRO A 104 7.881 -10.803 -6.392 1.00 0.00 C ATOM 1678 CD PRO A 104 7.885 -9.491 -7.159 1.00 0.00 C ATOM 0 HA PRO A 104 5.053 -10.876 -8.084 1.00 0.00 H new ATOM 0 HB2 PRO A 104 6.121 -11.881 -5.737 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.685 -12.345 -7.330 1.00 0.00 H new ATOM 0 HG2 PRO A 104 8.008 -10.622 -5.325 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.711 -11.434 -6.710 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.073 -8.646 -6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.666 -9.479 -7.919 1.00 0.00 H new ATOM 1686 N PRO A 105 3.676 -10.740 -5.890 1.00 0.00 N ATOM 1687 CA PRO A 105 2.641 -10.331 -4.955 1.00 0.00 C ATOM 1688 C PRO A 105 3.198 -10.220 -3.535 1.00 0.00 C ATOM 1689 O PRO A 105 2.939 -9.240 -2.837 1.00 0.00 O ATOM 1690 CB PRO A 105 1.554 -11.385 -5.086 1.00 0.00 C ATOM 1691 CG PRO A 105 2.215 -12.588 -5.739 1.00 0.00 C ATOM 1692 CD PRO A 105 3.553 -12.135 -6.302 1.00 0.00 C ATOM 0 HA PRO A 105 2.244 -9.340 -5.174 1.00 0.00 H new ATOM 0 HB2 PRO A 105 1.144 -11.646 -4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.725 -11.018 -5.692 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.358 -13.387 -5.012 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.583 -12.988 -6.532 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.372 -12.737 -5.909 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.579 -12.231 -7.387 1.00 0.00 H new ATOM 1700 N LYS A 106 3.954 -11.237 -3.148 1.00 0.00 N ATOM 1701 CA LYS A 106 4.550 -11.266 -1.824 1.00 0.00 C ATOM 1702 C LYS A 106 5.243 -9.929 -1.552 1.00 0.00 C ATOM 1703 O LYS A 106 5.066 -9.340 -0.487 1.00 0.00 O ATOM 1704 CB LYS A 106 5.472 -12.478 -1.677 1.00 0.00 C ATOM 1705 CG LYS A 106 6.268 -12.719 -2.962 1.00 0.00 C ATOM 1706 CD LYS A 106 7.764 -12.842 -2.665 1.00 0.00 C ATOM 1707 CE LYS A 106 8.371 -14.043 -3.392 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.418 -15.221 -2.498 1.00 0.00 N ATOM 0 H LYS A 106 4.167 -12.048 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 106 3.780 -11.387 -1.062 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.157 -12.319 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.881 -13.363 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.914 -13.628 -3.448 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.098 -11.898 -3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.275 -11.930 -2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.918 -12.947 -1.591 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.781 -14.275 -4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.377 -13.798 -3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.833 -16.027 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.000 -15.001 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.454 -15.464 -2.192 1.00 0.00 H new ATOM 1722 N GLU A 107 6.018 -9.490 -2.533 1.00 0.00 N ATOM 1723 CA GLU A 107 6.738 -8.234 -2.413 1.00 0.00 C ATOM 1724 C GLU A 107 5.772 -7.054 -2.539 1.00 0.00 C ATOM 1725 O GLU A 107 5.735 -6.183 -1.671 1.00 0.00 O ATOM 1726 CB GLU A 107 7.856 -8.142 -3.454 1.00 0.00 C ATOM 1727 CG GLU A 107 9.205 -7.870 -2.787 1.00 0.00 C ATOM 1728 CD GLU A 107 9.417 -6.370 -2.569 1.00 0.00 C ATOM 1729 OE1 GLU A 107 9.774 -5.698 -3.560 1.00 0.00 O ATOM 1730 OE2 GLU A 107 9.218 -5.931 -1.416 1.00 0.00 O ATOM 0 H GLU A 107 6.163 -9.982 -3.415 1.00 0.00 H new ATOM 0 HA GLU A 107 7.201 -8.195 -1.427 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.907 -9.072 -4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.631 -7.347 -4.165 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.253 -8.390 -1.830 1.00 0.00 H new ATOM 0 HG3 GLU A 107 10.008 -8.268 -3.407 1.00 0.00 H new ATOM 1737 N PHE A 108 5.015 -7.064 -3.626 1.00 0.00 N ATOM 1738 CA PHE A 108 4.052 -6.005 -3.876 1.00 0.00 C ATOM 1739 C PHE A 108 3.302 -5.633 -2.596 1.00 0.00 C ATOM 1740 O PHE A 108 3.035 -4.458 -2.349 1.00 0.00 O ATOM 1741 CB PHE A 108 3.051 -6.544 -4.901 1.00 0.00 C ATOM 1742 CG PHE A 108 1.754 -5.738 -4.987 1.00 0.00 C ATOM 1743 CD1 PHE A 108 1.801 -4.388 -5.146 1.00 0.00 C ATOM 1744 CD2 PHE A 108 0.553 -6.372 -4.904 1.00 0.00 C ATOM 1745 CE1 PHE A 108 0.596 -3.641 -5.226 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.651 -5.624 -4.983 1.00 0.00 C ATOM 1747 CZ PHE A 108 -0.604 -4.274 -5.142 1.00 0.00 C ATOM 0 H PHE A 108 5.049 -7.788 -4.343 1.00 0.00 H new ATOM 0 HA PHE A 108 4.565 -5.113 -4.237 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.524 -6.558 -5.883 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.809 -7.577 -4.649 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.754 -3.884 -5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.516 -7.444 -4.778 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.633 -2.569 -5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.604 -6.127 -4.917 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.520 -3.705 -5.202 1.00 0.00 H new ATOM 1757 N LEU A 109 2.983 -6.655 -1.816 1.00 0.00 N ATOM 1758 CA LEU A 109 2.268 -6.449 -0.568 1.00 0.00 C ATOM 1759 C LEU A 109 3.263 -6.050 0.524 1.00 0.00 C ATOM 1760 O LEU A 109 2.971 -5.184 1.348 1.00 0.00 O ATOM 1761 CB LEU A 109 1.435 -7.684 -0.218 1.00 0.00 C ATOM 1762 CG LEU A 109 0.101 -7.823 -0.955 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.724 -6.540 -0.842 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.320 -8.238 -2.411 1.00 0.00 C ATOM 0 H LEU A 109 3.206 -7.628 -2.024 1.00 0.00 H new ATOM 0 HA LEU A 109 1.556 -5.630 -0.667 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.034 -8.572 -0.421 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.236 -7.672 0.854 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.473 -8.617 -0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.667 -6.666 -1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.926 -6.328 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.168 -5.710 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.644 -8.330 -2.912 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.922 -7.484 -2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.838 -9.197 -2.442 1.00 0.00 H new ATOM 1776 N GLU A 110 4.418 -6.699 0.495 1.00 0.00 N ATOM 1777 CA GLU A 110 5.457 -6.422 1.471 1.00 0.00 C ATOM 1778 C GLU A 110 5.986 -4.998 1.294 1.00 0.00 C ATOM 1779 O GLU A 110 6.562 -4.426 2.219 1.00 0.00 O ATOM 1780 CB GLU A 110 6.591 -7.445 1.371 1.00 0.00 C ATOM 1781 CG GLU A 110 7.619 -7.235 2.484 1.00 0.00 C ATOM 1782 CD GLU A 110 8.825 -8.158 2.297 1.00 0.00 C ATOM 1783 OE1 GLU A 110 9.708 -7.782 1.497 1.00 0.00 O ATOM 1784 OE2 GLU A 110 8.836 -9.218 2.959 1.00 0.00 O ATOM 0 H GLU A 110 4.657 -7.416 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 110 5.023 -6.506 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.182 -8.453 1.434 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.079 -7.359 0.400 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.949 -6.196 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.156 -7.427 3.452 1.00 0.00 H new ATOM 1791 N ARG A 111 5.773 -4.466 0.100 1.00 0.00 N ATOM 1792 CA ARG A 111 6.221 -3.119 -0.211 1.00 0.00 C ATOM 1793 C ARG A 111 5.115 -2.107 0.096 1.00 0.00 C ATOM 1794 O ARG A 111 5.373 -1.061 0.690 1.00 0.00 O ATOM 1795 CB ARG A 111 6.620 -2.997 -1.683 1.00 0.00 C ATOM 1796 CG ARG A 111 7.626 -1.862 -1.886 1.00 0.00 C ATOM 1797 CD ARG A 111 8.867 -2.355 -2.632 1.00 0.00 C ATOM 1798 NE ARG A 111 9.843 -2.920 -1.674 1.00 0.00 N ATOM 1799 CZ ARG A 111 10.515 -2.194 -0.770 1.00 0.00 C ATOM 1800 NH1 ARG A 111 10.321 -0.870 -0.697 1.00 0.00 N ATOM 1801 NH2 ARG A 111 11.381 -2.791 0.059 1.00 0.00 N ATOM 0 H ARG A 111 5.296 -4.944 -0.665 1.00 0.00 H new ATOM 0 HA ARG A 111 7.093 -2.909 0.409 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.053 -3.937 -2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 111 5.733 -2.815 -2.290 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.158 -1.053 -2.447 1.00 0.00 H new ATOM 0 HG3 ARG A 111 7.918 -1.453 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.584 -3.111 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 111 9.321 -1.531 -3.183 1.00 0.00 H new ATOM 0 HE ARG A 111 10.015 -3.925 -1.704 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.662 -0.415 -1.329 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.832 -0.317 -0.009 1.00 0.00 H new ATOM 0 HH21 ARG A 111 11.529 -3.799 0.002 1.00 0.00 H new ATOM 0 HH22 ARG A 111 11.892 -2.238 0.747 1.00 0.00 H new ATOM 1815 N PHE A 112 3.907 -2.455 -0.322 1.00 0.00 N ATOM 1816 CA PHE A 112 2.760 -1.590 -0.099 1.00 0.00 C ATOM 1817 C PHE A 112 2.529 -1.360 1.395 1.00 0.00 C ATOM 1818 O PHE A 112 2.523 -0.221 1.859 1.00 0.00 O ATOM 1819 CB PHE A 112 1.541 -2.302 -0.689 1.00 0.00 C ATOM 1820 CG PHE A 112 0.293 -1.423 -0.785 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.405 -0.122 -1.164 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.929 -1.943 -0.491 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.753 0.694 -1.254 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -2.088 -1.127 -0.581 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.975 0.175 -0.960 1.00 0.00 C ATOM 0 H PHE A 112 3.697 -3.324 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 112 2.929 -0.620 -0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.793 -2.667 -1.685 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.312 -3.175 -0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.376 0.291 -1.397 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -1.018 -2.976 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.664 1.727 -1.556 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -3.059 -1.540 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.856 0.796 -1.027 1.00 0.00 H new ATOM 1835 N LYS A 113 2.345 -2.461 2.109 1.00 0.00 N ATOM 1836 CA LYS A 113 2.114 -2.395 3.542 1.00 0.00 C ATOM 1837 C LYS A 113 3.208 -1.545 4.192 1.00 0.00 C ATOM 1838 O LYS A 113 2.915 -0.632 4.962 1.00 0.00 O ATOM 1839 CB LYS A 113 1.996 -3.801 4.132 1.00 0.00 C ATOM 1840 CG LYS A 113 1.917 -3.751 5.659 1.00 0.00 C ATOM 1841 CD LYS A 113 2.954 -4.680 6.292 1.00 0.00 C ATOM 1842 CE LYS A 113 3.964 -3.888 7.125 1.00 0.00 C ATOM 1843 NZ LYS A 113 4.135 -4.507 8.459 1.00 0.00 N ATOM 0 H LYS A 113 2.351 -3.404 1.721 1.00 0.00 H new ATOM 0 HA LYS A 113 1.163 -1.906 3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.108 -4.293 3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 113 2.855 -4.400 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 113 2.081 -2.729 6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 113 0.918 -4.040 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.453 -5.414 6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 113 3.476 -5.234 5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.923 -3.853 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.625 -2.858 7.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 4.824 -3.957 9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 3.222 -4.518 8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 4.480 -5.482 8.348 1.00 0.00 H new ATOM 1857 N SER A 114 4.446 -1.876 3.857 1.00 0.00 N ATOM 1858 CA SER A 114 5.586 -1.155 4.398 1.00 0.00 C ATOM 1859 C SER A 114 5.453 0.338 4.093 1.00 0.00 C ATOM 1860 O SER A 114 5.362 1.157 5.007 1.00 0.00 O ATOM 1861 CB SER A 114 6.900 -1.697 3.832 1.00 0.00 C ATOM 1862 OG SER A 114 7.449 -2.727 4.650 1.00 0.00 O ATOM 0 H SER A 114 4.685 -2.634 3.218 1.00 0.00 H new ATOM 0 HA SER A 114 5.600 -1.299 5.478 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.730 -2.084 2.827 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.619 -0.883 3.742 1.00 0.00 H new ATOM 0 HG SER A 114 7.364 -3.589 4.191 1.00 0.00 H new ATOM 1868 N LEU A 115 5.446 0.649 2.805 1.00 0.00 N ATOM 1869 CA LEU A 115 5.326 2.029 2.368 1.00 0.00 C ATOM 1870 C LEU A 115 4.349 2.766 3.285 1.00 0.00 C ATOM 1871 O LEU A 115 4.611 3.894 3.700 1.00 0.00 O ATOM 1872 CB LEU A 115 4.946 2.091 0.887 1.00 0.00 C ATOM 1873 CG LEU A 115 5.152 3.442 0.198 1.00 0.00 C ATOM 1874 CD1 LEU A 115 4.017 4.409 0.538 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.524 4.027 0.537 1.00 0.00 C ATOM 0 H LEU A 115 5.522 -0.032 2.050 1.00 0.00 H new ATOM 0 HA LEU A 115 6.286 2.539 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.527 1.340 0.351 1.00 0.00 H new ATOM 0 HB3 LEU A 115 3.897 1.812 0.789 1.00 0.00 H new ATOM 0 HG LEU A 115 5.128 3.283 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.188 5.361 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.068 3.988 0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.985 4.568 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.645 4.987 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.603 4.169 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.304 3.342 0.203 1.00 0.00 H new ATOM 1887 N LEU A 116 3.241 2.099 3.575 1.00 0.00 N ATOM 1888 CA LEU A 116 2.223 2.677 4.436 1.00 0.00 C ATOM 1889 C LEU A 116 2.835 2.992 5.802 1.00 0.00 C ATOM 1890 O LEU A 116 2.875 4.149 6.217 1.00 0.00 O ATOM 1891 CB LEU A 116 0.999 1.763 4.506 1.00 0.00 C ATOM 1892 CG LEU A 116 0.321 1.445 3.172 1.00 0.00 C ATOM 1893 CD1 LEU A 116 -0.284 0.040 3.185 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.716 2.512 2.815 1.00 0.00 C ATOM 0 H LEU A 116 3.026 1.164 3.229 1.00 0.00 H new ATOM 0 HA LEU A 116 1.865 3.620 4.023 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.298 0.824 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.263 2.225 5.164 1.00 0.00 H new ATOM 0 HG LEU A 116 1.081 1.461 2.391 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.760 -0.160 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.503 -0.693 3.360 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.027 -0.029 3.979 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.183 2.261 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.478 2.553 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.227 3.483 2.735 1.00 0.00 H new ATOM 1906 N GLN A 117 3.297 1.941 6.464 1.00 0.00 N ATOM 1907 CA GLN A 117 3.905 2.091 7.775 1.00 0.00 C ATOM 1908 C GLN A 117 5.225 2.856 7.664 1.00 0.00 C ATOM 1909 O GLN A 117 5.855 3.165 8.674 1.00 0.00 O ATOM 1910 CB GLN A 117 4.115 0.730 8.441 1.00 0.00 C ATOM 1911 CG GLN A 117 5.307 -0.005 7.824 1.00 0.00 C ATOM 1912 CD GLN A 117 6.324 -0.398 8.897 1.00 0.00 C ATOM 1913 OE1 GLN A 117 6.178 -0.092 10.069 1.00 0.00 O ATOM 1914 NE2 GLN A 117 7.359 -1.092 8.432 1.00 0.00 N ATOM 0 H GLN A 117 3.262 0.983 6.117 1.00 0.00 H new ATOM 0 HA GLN A 117 3.226 2.666 8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.281 0.866 9.510 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.215 0.125 8.332 1.00 0.00 H new ATOM 0 HG2 GLN A 117 4.959 -0.897 7.304 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.786 0.632 7.080 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.419 -1.314 7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.093 -1.402 9.069 1.00 0.00 H new ATOM 1923 N LYS A 118 5.605 3.140 6.427 1.00 0.00 N ATOM 1924 CA LYS A 118 6.839 3.864 6.170 1.00 0.00 C ATOM 1925 C LYS A 118 6.587 5.365 6.327 1.00 0.00 C ATOM 1926 O LYS A 118 7.030 5.974 7.299 1.00 0.00 O ATOM 1927 CB LYS A 118 7.414 3.476 4.807 1.00 0.00 C ATOM 1928 CG LYS A 118 8.912 3.180 4.907 1.00 0.00 C ATOM 1929 CD LYS A 118 9.200 1.706 4.620 1.00 0.00 C ATOM 1930 CE LYS A 118 10.438 1.552 3.733 1.00 0.00 C ATOM 1931 NZ LYS A 118 10.169 2.073 2.374 1.00 0.00 N ATOM 0 H LYS A 118 5.080 2.882 5.591 1.00 0.00 H new ATOM 0 HA LYS A 118 7.600 3.590 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.891 2.599 4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.246 4.284 4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.458 3.805 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.271 3.437 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.352 1.172 5.558 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.339 1.252 4.130 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.278 2.088 4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 118 10.724 0.502 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.814 1.620 1.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 9.185 1.863 2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.319 3.102 2.361 1.00 0.00 H new ATOM 1945 N MET A 119 5.877 5.918 5.354 1.00 0.00 N ATOM 1946 CA MET A 119 5.560 7.336 5.372 1.00 0.00 C ATOM 1947 C MET A 119 4.183 7.583 5.989 1.00 0.00 C ATOM 1948 O MET A 119 4.070 8.247 7.019 1.00 0.00 O ATOM 1949 CB MET A 119 5.585 7.882 3.943 1.00 0.00 C ATOM 1950 CG MET A 119 5.299 9.385 3.926 1.00 0.00 C ATOM 1951 SD MET A 119 6.831 10.299 4.004 1.00 0.00 S ATOM 1952 CE MET A 119 6.194 11.962 4.127 1.00 0.00 C ATOM 0 H MET A 119 5.512 5.410 4.548 1.00 0.00 H new ATOM 0 HA MET A 119 6.306 7.848 5.980 1.00 0.00 H new ATOM 0 HB2 MET A 119 6.559 7.688 3.493 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.844 7.360 3.337 1.00 0.00 H new ATOM 0 HG2 MET A 119 4.754 9.650 3.020 1.00 0.00 H new ATOM 0 HG3 MET A 119 4.663 9.652 4.770 1.00 0.00 H new ATOM 0 HE1 MET A 119 7.024 12.666 4.185 1.00 0.00 H new ATOM 0 HE2 MET A 119 5.589 12.186 3.248 1.00 0.00 H new ATOM 0 HE3 MET A 119 5.579 12.051 5.023 1.00 0.00 H new ATOM 1962 N ILE A 120 3.169 7.035 5.334 1.00 0.00 N ATOM 1963 CA ILE A 120 1.803 7.188 5.806 1.00 0.00 C ATOM 1964 C ILE A 120 1.790 7.158 7.336 1.00 0.00 C ATOM 1965 O ILE A 120 1.127 7.976 7.971 1.00 0.00 O ATOM 1966 CB ILE A 120 0.894 6.140 5.163 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.461 6.575 3.761 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.304 5.827 6.061 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.632 7.187 2.991 1.00 0.00 C ATOM 0 H ILE A 120 3.266 6.485 4.481 1.00 0.00 H new ATOM 0 HA ILE A 120 1.401 8.155 5.502 1.00 0.00 H new ATOM 0 HB ILE A 120 1.463 5.217 5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 120 0.071 5.717 3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.349 7.301 3.835 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -0.934 5.079 5.580 1.00 0.00 H new ATOM 0 HG22 ILE A 120 0.049 5.443 7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.882 6.736 6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.297 7.488 1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 120 2.004 8.059 3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 120 2.430 6.451 2.897 1.00 0.00 H new ATOM 1981 N HIS A 121 2.531 6.205 7.883 1.00 0.00 N ATOM 1982 CA HIS A 121 2.613 6.057 9.327 1.00 0.00 C ATOM 1983 C HIS A 121 3.136 7.355 9.946 1.00 0.00 C ATOM 1984 O HIS A 121 2.382 8.094 10.577 1.00 0.00 O ATOM 1985 CB HIS A 121 3.458 4.838 9.701 1.00 0.00 C ATOM 1986 CG HIS A 121 2.685 3.746 10.401 1.00 0.00 C ATOM 1987 ND1 HIS A 121 3.100 3.181 11.594 1.00 0.00 N ATOM 1988 CD2 HIS A 121 1.520 3.123 10.063 1.00 0.00 C ATOM 1989 CE1 HIS A 121 2.217 2.259 11.949 1.00 0.00 C ATOM 1990 NE2 HIS A 121 1.238 2.224 10.999 1.00 0.00 N ATOM 0 H HIS A 121 3.080 5.528 7.353 1.00 0.00 H new ATOM 0 HA HIS A 121 1.619 5.875 9.735 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.907 4.428 8.796 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.276 5.160 10.345 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.927 3.326 9.183 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.264 1.643 12.835 1.00 0.00 H new ATOM 0 HE2 HIS A 121 0.424 1.609 11.007 1.00 0.00 H new ATOM 1998 N GLN A 122 4.424 7.591 9.745 1.00 0.00 N ATOM 1999 CA GLN A 122 5.057 8.787 10.277 1.00 0.00 C ATOM 2000 C GLN A 122 4.153 10.003 10.067 1.00 0.00 C ATOM 2001 O GLN A 122 4.199 10.956 10.844 1.00 0.00 O ATOM 2002 CB GLN A 122 6.431 9.008 9.641 1.00 0.00 C ATOM 2003 CG GLN A 122 6.360 8.868 8.119 1.00 0.00 C ATOM 2004 CD GLN A 122 7.734 9.091 7.484 1.00 0.00 C ATOM 2005 OE1 GLN A 122 8.067 10.172 7.027 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.510 8.011 7.480 1.00 0.00 N ATOM 0 H GLN A 122 5.046 6.975 9.222 1.00 0.00 H new ATOM 0 HA GLN A 122 5.207 8.651 11.348 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.801 10.000 9.902 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.142 8.287 10.043 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.991 7.876 7.858 1.00 0.00 H new ATOM 0 HG3 GLN A 122 5.648 9.589 7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.169 7.137 7.879 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.446 8.057 7.078 1.00 0.00 H new