USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=13 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 Set 1.1: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 121 HIS : no HD1:sc= -0.248 X(o=-0.25,f=0) USER MOD Set 2.1: A 58 SER OG : rot 42:sc= 0.547 USER MOD Set 2.2: A 60 ASN : amide:sc= -2.78! C(o=-2.2!,f=-4.2!) USER MOD Set 3.1: A 55 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.38) USER MOD Set 3.2: A 57 LYS NZ :NH3+ 165:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0807 K(o=-0.081,f=-2.3!) USER MOD Single : A 20 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.1!) USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.766) USER MOD Single : A 23 ASN : amide:sc= -0.0808 K(o=-0.081,f=0.57) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.45 K(o=-1.5,f=0.34) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -2.42! C(o=-2.4!,f=-5!) USER MOD Single : A 43 CYS SG : rot -26:sc= -2.22! USER MOD Single : A 46 SER OG : rot 180:sc= 0 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= -7.87! C(o=-7.9!,f=-14!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -3.37 K(o=-3.4,f=-1.3!) USER MOD Single : A 69 ASN : amide:sc= -0.722 K(o=-0.72,f=-1.9!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00273) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 163:sc= 0.0038 (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 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.4!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 122 GLN : amide:sc= -2.98! C(o=-3!,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.383 3.529 8.090 1.00 0.00 N ATOM 173 CA MET A 11 -3.067 2.956 7.861 1.00 0.00 C ATOM 174 C MET A 11 -2.928 1.604 8.564 1.00 0.00 C ATOM 175 O MET A 11 -2.323 0.679 8.024 1.00 0.00 O ATOM 176 CB MET A 11 -1.995 3.915 8.381 1.00 0.00 C ATOM 177 CG MET A 11 -2.232 4.255 9.854 1.00 0.00 C ATOM 178 SD MET A 11 -0.833 5.152 10.506 1.00 0.00 S ATOM 179 CE MET A 11 -0.761 4.462 12.151 1.00 0.00 C ATOM 0 HA MET A 11 -2.940 2.802 6.789 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.010 3.464 8.262 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.001 4.829 7.787 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.138 4.853 9.957 1.00 0.00 H new ATOM 0 HG3 MET A 11 -2.387 3.341 10.427 1.00 0.00 H new ATOM 0 HE1 MET A 11 0.064 4.916 12.700 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.697 4.663 12.671 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.606 3.385 12.087 1.00 0.00 H new ATOM 189 N ARG A 12 -3.498 1.533 9.758 1.00 0.00 N ATOM 190 CA ARG A 12 -3.445 0.309 10.540 1.00 0.00 C ATOM 191 C ARG A 12 -3.999 -0.864 9.729 1.00 0.00 C ATOM 192 O ARG A 12 -3.371 -1.919 9.648 1.00 0.00 O ATOM 193 CB ARG A 12 -4.247 0.449 11.836 1.00 0.00 C ATOM 194 CG ARG A 12 -3.424 -0.006 13.042 1.00 0.00 C ATOM 195 CD ARG A 12 -4.310 -0.176 14.278 1.00 0.00 C ATOM 196 NE ARG A 12 -5.036 -1.464 14.206 1.00 0.00 N ATOM 197 CZ ARG A 12 -4.454 -2.663 14.343 1.00 0.00 C ATOM 198 NH1 ARG A 12 -3.134 -2.747 14.560 1.00 0.00 N ATOM 199 NH2 ARG A 12 -5.192 -3.779 14.264 1.00 0.00 N ATOM 0 H ARG A 12 -3.999 2.302 10.203 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.401 0.120 10.790 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.551 1.487 11.969 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.159 -0.144 11.769 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.928 -0.949 12.813 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.641 0.724 13.249 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.700 -0.143 15.181 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.020 0.648 14.343 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.042 -1.437 14.042 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.572 -1.898 14.621 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.691 -3.660 14.664 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.197 -3.715 14.100 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.749 -4.692 14.368 1.00 0.00 H new ATOM 213 N GLN A 13 -5.169 -0.641 9.149 1.00 0.00 N ATOM 214 CA GLN A 13 -5.814 -1.666 8.347 1.00 0.00 C ATOM 215 C GLN A 13 -4.932 -2.042 7.155 1.00 0.00 C ATOM 216 O GLN A 13 -4.737 -3.222 6.869 1.00 0.00 O ATOM 217 CB GLN A 13 -7.198 -1.209 7.882 1.00 0.00 C ATOM 218 CG GLN A 13 -8.260 -1.513 8.940 1.00 0.00 C ATOM 219 CD GLN A 13 -8.837 -2.917 8.751 1.00 0.00 C ATOM 220 OE1 GLN A 13 -8.544 -3.612 7.792 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.672 -3.294 9.715 1.00 0.00 N ATOM 0 H GLN A 13 -5.687 0.235 9.219 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.949 -2.552 8.967 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.181 -0.139 7.676 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.456 -1.710 6.949 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.822 -1.427 9.935 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.061 -0.776 8.879 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.874 -2.663 10.490 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.110 -4.214 9.679 1.00 0.00 H new ATOM 230 N LEU A 14 -4.421 -1.015 6.491 1.00 0.00 N ATOM 231 CA LEU A 14 -3.564 -1.222 5.336 1.00 0.00 C ATOM 232 C LEU A 14 -2.531 -2.303 5.661 1.00 0.00 C ATOM 233 O LEU A 14 -2.435 -3.307 4.958 1.00 0.00 O ATOM 234 CB LEU A 14 -2.947 0.102 4.882 1.00 0.00 C ATOM 235 CG LEU A 14 -3.671 0.823 3.743 1.00 0.00 C ATOM 236 CD1 LEU A 14 -3.556 0.037 2.436 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.127 1.110 4.113 1.00 0.00 C ATOM 0 H LEU A 14 -4.584 -0.037 6.731 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.147 -1.582 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.903 0.773 5.740 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.919 -0.086 4.571 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.184 1.785 3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.079 0.571 1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.505 -0.072 2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.002 -0.949 2.564 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.618 1.623 3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.643 0.171 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.159 1.741 5.001 1.00 0.00 H new ATOM 249 N ILE A 15 -1.782 -2.059 6.727 1.00 0.00 N ATOM 250 CA ILE A 15 -0.759 -2.999 7.154 1.00 0.00 C ATOM 251 C ILE A 15 -1.428 -4.263 7.695 1.00 0.00 C ATOM 252 O ILE A 15 -0.844 -5.345 7.655 1.00 0.00 O ATOM 253 CB ILE A 15 0.197 -2.335 8.147 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.949 -1.175 7.492 1.00 0.00 C ATOM 255 CG2 ILE A 15 1.150 -3.363 8.760 1.00 0.00 C ATOM 256 CD1 ILE A 15 0.482 0.169 8.055 1.00 0.00 C ATOM 0 H ILE A 15 -1.863 -1.224 7.307 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.143 -3.302 6.308 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.393 -1.916 8.962 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.020 -1.291 7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.790 -1.197 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.819 -2.866 9.462 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.574 -4.125 9.285 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.737 -3.832 7.970 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.032 0.977 7.572 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.584 0.292 7.865 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.665 0.197 9.129 1.00 0.00 H new ATOM 268 N ASP A 16 -2.645 -4.085 8.190 1.00 0.00 N ATOM 269 CA ASP A 16 -3.399 -5.199 8.739 1.00 0.00 C ATOM 270 C ASP A 16 -3.756 -6.172 7.614 1.00 0.00 C ATOM 271 O ASP A 16 -3.291 -7.311 7.603 1.00 0.00 O ATOM 272 CB ASP A 16 -4.703 -4.718 9.379 1.00 0.00 C ATOM 273 CG ASP A 16 -5.256 -5.625 10.480 1.00 0.00 C ATOM 274 OD1 ASP A 16 -4.573 -5.736 11.521 1.00 0.00 O ATOM 275 OD2 ASP A 16 -6.350 -6.187 10.256 1.00 0.00 O ATOM 0 H ASP A 16 -3.127 -3.187 8.222 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.782 -5.684 9.496 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.541 -3.724 9.795 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.458 -4.617 8.599 1.00 0.00 H new ATOM 280 N ILE A 17 -4.578 -5.688 6.695 1.00 0.00 N ATOM 281 CA ILE A 17 -5.002 -6.501 5.567 1.00 0.00 C ATOM 282 C ILE A 17 -3.775 -7.137 4.912 1.00 0.00 C ATOM 283 O ILE A 17 -3.812 -8.300 4.513 1.00 0.00 O ATOM 284 CB ILE A 17 -5.856 -5.676 4.603 1.00 0.00 C ATOM 285 CG1 ILE A 17 -5.327 -4.244 4.490 1.00 0.00 C ATOM 286 CG2 ILE A 17 -7.331 -5.712 5.007 1.00 0.00 C ATOM 287 CD1 ILE A 17 -5.234 -3.808 3.026 1.00 0.00 C ATOM 0 H ILE A 17 -4.962 -4.743 6.708 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.642 -7.317 5.904 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.783 -6.126 3.613 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -5.984 -3.566 5.034 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.344 -4.178 4.956 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.915 -5.117 4.305 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.687 -6.742 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.443 -5.302 6.011 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.856 -2.787 2.974 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.557 -4.474 2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.223 -3.852 2.570 1.00 0.00 H new ATOM 299 N VAL A 18 -2.715 -6.346 4.822 1.00 0.00 N ATOM 300 CA VAL A 18 -1.478 -6.818 4.222 1.00 0.00 C ATOM 301 C VAL A 18 -1.057 -8.126 4.894 1.00 0.00 C ATOM 302 O VAL A 18 -1.050 -9.180 4.259 1.00 0.00 O ATOM 303 CB VAL A 18 -0.407 -5.729 4.309 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.969 -6.283 3.935 1.00 0.00 C ATOM 305 CG2 VAL A 18 -0.772 -4.529 3.433 1.00 0.00 C ATOM 0 H VAL A 18 -2.687 -5.382 5.154 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.623 -7.029 3.163 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.361 -5.386 5.343 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.712 -5.489 4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.234 -7.090 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.942 -6.666 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.006 -3.770 3.513 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.860 -4.850 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.722 -4.111 3.766 1.00 0.00 H new ATOM 315 N ASP A 19 -0.717 -8.017 6.170 1.00 0.00 N ATOM 316 CA ASP A 19 -0.296 -9.179 6.934 1.00 0.00 C ATOM 317 C ASP A 19 -1.369 -10.264 6.837 1.00 0.00 C ATOM 318 O ASP A 19 -1.075 -11.449 6.992 1.00 0.00 O ATOM 319 CB ASP A 19 -0.110 -8.828 8.412 1.00 0.00 C ATOM 320 CG ASP A 19 -0.219 -10.011 9.376 1.00 0.00 C ATOM 321 OD1 ASP A 19 -1.353 -10.510 9.535 1.00 0.00 O ATOM 322 OD2 ASP A 19 0.835 -10.389 9.931 1.00 0.00 O ATOM 0 H ASP A 19 -0.725 -7.142 6.694 1.00 0.00 H new ATOM 0 HA ASP A 19 0.652 -9.527 6.524 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.868 -8.364 8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.855 -8.083 8.690 1.00 0.00 H new ATOM 327 N GLN A 20 -2.592 -9.822 6.582 1.00 0.00 N ATOM 328 CA GLN A 20 -3.711 -10.741 6.463 1.00 0.00 C ATOM 329 C GLN A 20 -3.637 -11.497 5.135 1.00 0.00 C ATOM 330 O GLN A 20 -3.703 -12.726 5.112 1.00 0.00 O ATOM 331 CB GLN A 20 -5.044 -10.003 6.600 1.00 0.00 C ATOM 332 CG GLN A 20 -6.173 -10.972 6.954 1.00 0.00 C ATOM 333 CD GLN A 20 -5.804 -11.823 8.171 1.00 0.00 C ATOM 334 OE1 GLN A 20 -5.131 -12.836 8.071 1.00 0.00 O ATOM 335 NE2 GLN A 20 -6.280 -11.356 9.322 1.00 0.00 N ATOM 0 H GLN A 20 -2.832 -8.839 6.454 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.649 -11.465 7.275 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.962 -9.237 7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.278 -9.492 5.666 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -7.086 -10.413 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.381 -11.620 6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -6.837 -10.502 9.334 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.088 -11.852 10.192 1.00 0.00 H new ATOM 344 N LEU A 21 -3.501 -10.733 4.061 1.00 0.00 N ATOM 345 CA LEU A 21 -3.418 -11.316 2.733 1.00 0.00 C ATOM 346 C LEU A 21 -2.105 -12.090 2.602 1.00 0.00 C ATOM 347 O LEU A 21 -2.068 -13.157 1.991 1.00 0.00 O ATOM 348 CB LEU A 21 -3.606 -10.238 1.663 1.00 0.00 C ATOM 349 CG LEU A 21 -3.041 -10.563 0.278 1.00 0.00 C ATOM 350 CD1 LEU A 21 -1.518 -10.414 0.259 1.00 0.00 C ATOM 351 CD2 LEU A 21 -3.487 -11.951 -0.184 1.00 0.00 C ATOM 0 H LEU A 21 -3.446 -9.715 4.084 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.226 -12.031 2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.672 -10.037 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.141 -9.318 2.017 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.444 -9.842 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.142 -10.651 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.249 -9.389 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.077 -11.096 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.072 -12.157 -1.171 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.132 -12.701 0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.575 -11.986 -0.234 1.00 0.00 H new ATOM 363 N LYS A 22 -1.060 -11.524 3.187 1.00 0.00 N ATOM 364 CA LYS A 22 0.251 -12.148 3.143 1.00 0.00 C ATOM 365 C LYS A 22 0.171 -13.538 3.777 1.00 0.00 C ATOM 366 O LYS A 22 0.618 -14.520 3.187 1.00 0.00 O ATOM 367 CB LYS A 22 1.299 -11.238 3.787 1.00 0.00 C ATOM 368 CG LYS A 22 2.404 -10.883 2.790 1.00 0.00 C ATOM 369 CD LYS A 22 3.078 -9.562 3.166 1.00 0.00 C ATOM 370 CE LYS A 22 3.660 -9.625 4.579 1.00 0.00 C ATOM 371 NZ LYS A 22 3.769 -8.267 5.157 1.00 0.00 N ATOM 0 H LYS A 22 -1.095 -10.640 3.694 1.00 0.00 H new ATOM 0 HA LYS A 22 0.573 -12.286 2.111 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.822 -10.326 4.147 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.733 -11.735 4.655 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.147 -11.680 2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.984 -10.808 1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.871 -9.338 2.452 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.354 -8.750 3.103 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.026 -10.246 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.643 -10.095 4.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.568 -8.236 5.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.925 -7.577 4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.890 -8.033 5.661 1.00 0.00 H new ATOM 385 N ASN A 23 -0.402 -13.577 4.971 1.00 0.00 N ATOM 386 CA ASN A 23 -0.547 -14.831 5.691 1.00 0.00 C ATOM 387 C ASN A 23 -1.310 -15.830 4.819 1.00 0.00 C ATOM 388 O ASN A 23 -1.257 -17.035 5.059 1.00 0.00 O ATOM 389 CB ASN A 23 -1.337 -14.634 6.986 1.00 0.00 C ATOM 390 CG ASN A 23 -0.967 -15.697 8.022 1.00 0.00 C ATOM 391 OD1 ASN A 23 -0.676 -16.838 7.702 1.00 0.00 O ATOM 392 ND2 ASN A 23 -0.994 -15.262 9.278 1.00 0.00 N ATOM 0 H ASN A 23 -0.771 -12.760 5.458 1.00 0.00 H new ATOM 0 HA ASN A 23 0.451 -15.200 5.929 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.137 -13.642 7.391 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.405 -14.683 6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.762 -15.896 10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.246 -14.294 9.477 1.00 0.00 H new ATOM 399 N TYR A 24 -2.001 -15.292 3.825 1.00 0.00 N ATOM 400 CA TYR A 24 -2.774 -16.121 2.916 1.00 0.00 C ATOM 401 C TYR A 24 -2.088 -16.226 1.552 1.00 0.00 C ATOM 402 O TYR A 24 -2.741 -16.487 0.543 1.00 0.00 O ATOM 403 CB TYR A 24 -4.120 -15.416 2.743 1.00 0.00 C ATOM 404 CG TYR A 24 -5.109 -15.677 3.881 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.391 -16.971 4.268 1.00 0.00 C ATOM 406 CD2 TYR A 24 -5.720 -14.617 4.521 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.322 -17.216 5.340 1.00 0.00 C ATOM 408 CE2 TYR A 24 -6.651 -14.862 5.592 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.906 -16.149 5.948 1.00 0.00 C ATOM 410 OH TYR A 24 -7.785 -16.381 6.960 1.00 0.00 O ATOM 0 H TYR A 24 -2.042 -14.292 3.629 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.879 -17.131 3.313 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.949 -14.343 2.663 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.569 -15.738 1.804 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.914 -17.800 3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.500 -13.604 4.218 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.551 -18.224 5.653 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.136 -14.042 6.101 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.123 -15.527 7.302 1.00 0.00 H new ATOM 420 N VAL A 25 -0.780 -16.016 1.566 1.00 0.00 N ATOM 421 CA VAL A 25 0.002 -16.084 0.343 1.00 0.00 C ATOM 422 C VAL A 25 -0.359 -17.361 -0.418 1.00 0.00 C ATOM 423 O VAL A 25 -0.290 -17.397 -1.646 1.00 0.00 O ATOM 424 CB VAL A 25 1.493 -15.983 0.668 1.00 0.00 C ATOM 425 CG1 VAL A 25 2.338 -16.651 -0.418 1.00 0.00 C ATOM 426 CG2 VAL A 25 1.913 -14.525 0.871 1.00 0.00 C ATOM 0 H VAL A 25 -0.242 -15.799 2.405 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.233 -15.241 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 25 1.668 -16.515 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.394 -16.565 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.068 -17.704 -0.493 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.155 -16.161 -1.374 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.978 -14.482 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.715 -13.959 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.346 -14.095 1.696 1.00 0.00 H new ATOM 436 N ASN A 26 -0.736 -18.378 0.342 1.00 0.00 N ATOM 437 CA ASN A 26 -1.107 -19.654 -0.245 1.00 0.00 C ATOM 438 C ASN A 26 -2.130 -19.420 -1.358 1.00 0.00 C ATOM 439 O ASN A 26 -2.283 -20.252 -2.251 1.00 0.00 O ATOM 440 CB ASN A 26 -1.745 -20.575 0.797 1.00 0.00 C ATOM 441 CG ASN A 26 -2.635 -19.784 1.758 1.00 0.00 C ATOM 442 OD1 ASN A 26 -3.722 -19.346 1.419 1.00 0.00 O ATOM 443 ND2 ASN A 26 -2.114 -19.625 2.971 1.00 0.00 N ATOM 0 H ASN A 26 -0.793 -18.344 1.360 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.203 -20.122 -0.634 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.336 -21.342 0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.965 -21.090 1.358 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -2.630 -19.110 3.684 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -1.198 -20.018 3.188 1.00 0.00 H new ATOM 450 N ASP A 27 -2.806 -18.284 -1.268 1.00 0.00 N ATOM 451 CA ASP A 27 -3.810 -17.929 -2.256 1.00 0.00 C ATOM 452 C ASP A 27 -3.390 -16.639 -2.963 1.00 0.00 C ATOM 453 O ASP A 27 -4.191 -15.716 -3.105 1.00 0.00 O ATOM 454 CB ASP A 27 -5.169 -17.687 -1.597 1.00 0.00 C ATOM 455 CG ASP A 27 -5.914 -18.952 -1.167 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.292 -19.758 -0.441 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.089 -19.085 -1.573 1.00 0.00 O ATOM 0 H ASP A 27 -2.678 -17.597 -0.525 1.00 0.00 H new ATOM 0 HA ASP A 27 -3.894 -18.754 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.024 -17.054 -0.722 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.799 -17.131 -2.292 1.00 0.00 H new ATOM 462 N LEU A 28 -2.136 -16.616 -3.388 1.00 0.00 N ATOM 463 CA LEU A 28 -1.600 -15.454 -4.077 1.00 0.00 C ATOM 464 C LEU A 28 -1.095 -15.874 -5.459 1.00 0.00 C ATOM 465 O LEU A 28 -0.250 -16.762 -5.572 1.00 0.00 O ATOM 466 CB LEU A 28 -0.539 -14.764 -3.218 1.00 0.00 C ATOM 467 CG LEU A 28 -1.063 -13.796 -2.155 1.00 0.00 C ATOM 468 CD1 LEU A 28 0.091 -13.138 -1.396 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.007 -12.762 -2.772 1.00 0.00 C ATOM 0 H LEU A 28 -1.475 -17.384 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.381 -14.711 -4.235 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.054 -15.532 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.135 -14.218 -3.878 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.642 -14.367 -1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.309 -12.455 -0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.688 -13.906 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.717 -12.583 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.365 -12.087 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.474 -12.191 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.855 -13.271 -3.229 1.00 0.00 H new ATOM 481 N VAL A 29 -1.633 -15.217 -6.476 1.00 0.00 N ATOM 482 CA VAL A 29 -1.247 -15.511 -7.845 1.00 0.00 C ATOM 483 C VAL A 29 -0.076 -14.611 -8.245 1.00 0.00 C ATOM 484 O VAL A 29 -0.183 -13.387 -8.193 1.00 0.00 O ATOM 485 CB VAL A 29 -2.456 -15.367 -8.772 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.523 -13.960 -9.369 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.433 -16.429 -9.873 1.00 0.00 C ATOM 0 H VAL A 29 -2.333 -14.482 -6.379 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.908 -16.543 -7.933 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.356 -15.522 -8.176 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.391 -13.884 -10.024 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.609 -13.228 -8.566 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.617 -13.765 -9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.303 -16.304 -10.517 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.524 -16.320 -10.465 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.455 -17.421 -9.422 1.00 0.00 H new ATOM 497 N PRO A 30 1.044 -15.270 -8.646 1.00 0.00 N ATOM 498 CA PRO A 30 2.234 -14.543 -9.054 1.00 0.00 C ATOM 499 C PRO A 30 2.053 -13.933 -10.446 1.00 0.00 C ATOM 500 O PRO A 30 1.980 -14.654 -11.439 1.00 0.00 O ATOM 501 CB PRO A 30 3.359 -15.563 -8.995 1.00 0.00 C ATOM 502 CG PRO A 30 2.686 -16.926 -9.007 1.00 0.00 C ATOM 503 CD PRO A 30 1.208 -16.719 -8.721 1.00 0.00 C ATOM 0 HA PRO A 30 2.450 -13.694 -8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.032 -15.452 -9.845 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.959 -15.431 -8.094 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.823 -17.411 -9.973 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.132 -17.579 -8.257 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.588 -17.147 -9.509 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.914 -17.200 -7.788 1.00 0.00 H new ATOM 511 N GLU A 31 1.985 -12.610 -10.473 1.00 0.00 N ATOM 512 CA GLU A 31 1.814 -11.894 -11.726 1.00 0.00 C ATOM 513 C GLU A 31 2.624 -10.596 -11.711 1.00 0.00 C ATOM 514 O GLU A 31 3.035 -10.129 -10.649 1.00 0.00 O ATOM 515 CB GLU A 31 0.335 -11.615 -12.000 1.00 0.00 C ATOM 516 CG GLU A 31 -0.126 -10.346 -11.281 1.00 0.00 C ATOM 517 CD GLU A 31 -1.630 -10.130 -11.461 1.00 0.00 C ATOM 518 OE1 GLU A 31 -2.290 -11.086 -11.920 1.00 0.00 O ATOM 519 OE2 GLU A 31 -2.086 -9.012 -11.134 1.00 0.00 O ATOM 0 H GLU A 31 2.045 -12.015 -9.647 1.00 0.00 H new ATOM 0 HA GLU A 31 2.187 -12.522 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.174 -11.508 -13.073 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.266 -12.463 -11.670 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.110 -10.419 -10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.418 -9.485 -11.670 1.00 0.00 H new ATOM 526 N PHE A 32 2.828 -10.049 -12.900 1.00 0.00 N ATOM 527 CA PHE A 32 3.581 -8.814 -13.037 1.00 0.00 C ATOM 528 C PHE A 32 2.851 -7.650 -12.363 1.00 0.00 C ATOM 529 O PHE A 32 2.003 -7.006 -12.978 1.00 0.00 O ATOM 530 CB PHE A 32 3.701 -8.527 -14.535 1.00 0.00 C ATOM 531 CG PHE A 32 4.054 -9.754 -15.377 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.244 -10.386 -15.194 1.00 0.00 C ATOM 533 CD2 PHE A 32 3.177 -10.214 -16.310 1.00 0.00 C ATOM 534 CE1 PHE A 32 5.571 -11.525 -15.976 1.00 0.00 C ATOM 535 CE2 PHE A 32 3.504 -11.353 -17.092 1.00 0.00 C ATOM 536 CZ PHE A 32 4.694 -11.985 -16.908 1.00 0.00 C ATOM 0 H PHE A 32 2.485 -10.439 -13.778 1.00 0.00 H new ATOM 0 HA PHE A 32 4.557 -8.919 -12.564 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.758 -8.113 -14.892 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.463 -7.763 -14.688 1.00 0.00 H new ATOM 0 HD1 PHE A 32 5.941 -10.021 -14.454 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.232 -9.712 -16.456 1.00 0.00 H new ATOM 0 HE1 PHE A 32 6.517 -12.026 -15.831 1.00 0.00 H new ATOM 0 HE2 PHE A 32 2.808 -11.717 -17.833 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.943 -12.852 -17.502 1.00 0.00 H new ATOM 546 N LEU A 33 3.208 -7.416 -11.109 1.00 0.00 N ATOM 547 CA LEU A 33 2.598 -6.341 -10.346 1.00 0.00 C ATOM 548 C LEU A 33 3.567 -5.158 -10.275 1.00 0.00 C ATOM 549 O LEU A 33 4.721 -5.319 -9.883 1.00 0.00 O ATOM 550 CB LEU A 33 2.145 -6.847 -8.975 1.00 0.00 C ATOM 551 CG LEU A 33 0.653 -6.704 -8.667 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.195 -7.055 -9.891 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.264 -7.535 -7.442 1.00 0.00 C ATOM 0 H LEU A 33 3.912 -7.953 -10.602 1.00 0.00 H new ATOM 0 HA LEU A 33 1.696 -5.986 -10.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.414 -7.900 -8.891 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.707 -6.313 -8.209 1.00 0.00 H new ATOM 0 HG LEU A 33 0.452 -5.660 -8.425 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.251 -6.945 -9.645 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.058 -6.385 -10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.003 -8.085 -10.188 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.801 -7.416 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.483 -8.586 -7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.833 -7.196 -6.577 1.00 0.00 H new ATOM 565 N PRO A 34 3.047 -3.965 -10.670 1.00 0.00 N ATOM 566 CA PRO A 34 3.853 -2.756 -10.656 1.00 0.00 C ATOM 567 C PRO A 34 4.041 -2.240 -9.228 1.00 0.00 C ATOM 568 O PRO A 34 3.065 -1.999 -8.518 1.00 0.00 O ATOM 569 CB PRO A 34 3.109 -1.777 -11.548 1.00 0.00 C ATOM 570 CG PRO A 34 1.688 -2.307 -11.655 1.00 0.00 C ATOM 571 CD PRO A 34 1.684 -3.737 -11.141 1.00 0.00 C ATOM 0 HA PRO A 34 4.865 -2.920 -11.026 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.121 -0.774 -11.122 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.576 -1.711 -12.531 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.005 -1.690 -11.071 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.344 -2.272 -12.689 1.00 0.00 H new ATOM 0 HD2 PRO A 34 0.960 -3.867 -10.336 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.414 -4.440 -11.929 1.00 0.00 H new ATOM 579 N ALA A 35 5.301 -2.085 -8.849 1.00 0.00 N ATOM 580 CA ALA A 35 5.629 -1.602 -7.519 1.00 0.00 C ATOM 581 C ALA A 35 6.767 -0.584 -7.617 1.00 0.00 C ATOM 582 O ALA A 35 7.825 -0.882 -8.169 1.00 0.00 O ATOM 583 CB ALA A 35 5.983 -2.787 -6.618 1.00 0.00 C ATOM 0 H ALA A 35 6.107 -2.286 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 35 4.772 -1.097 -7.072 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.229 -2.424 -5.620 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.132 -3.465 -6.558 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.840 -3.316 -7.033 1.00 0.00 H new ATOM 589 N PRO A 36 6.503 0.628 -7.059 1.00 0.00 N ATOM 590 CA PRO A 36 7.493 1.692 -7.078 1.00 0.00 C ATOM 591 C PRO A 36 8.604 1.426 -6.060 1.00 0.00 C ATOM 592 O PRO A 36 8.337 1.283 -4.868 1.00 0.00 O ATOM 593 CB PRO A 36 6.710 2.962 -6.785 1.00 0.00 C ATOM 594 CG PRO A 36 5.402 2.510 -6.156 1.00 0.00 C ATOM 595 CD PRO A 36 5.261 1.016 -6.397 1.00 0.00 C ATOM 0 HA PRO A 36 8.009 1.770 -8.035 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.263 3.615 -6.110 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.529 3.529 -7.698 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.397 2.726 -5.088 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.562 3.048 -6.594 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.126 0.475 -5.460 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.394 0.796 -7.020 1.00 0.00 H new ATOM 603 N GLU A 37 9.826 1.367 -6.568 1.00 0.00 N ATOM 604 CA GLU A 37 10.978 1.120 -5.718 1.00 0.00 C ATOM 605 C GLU A 37 11.690 2.435 -5.394 1.00 0.00 C ATOM 606 O GLU A 37 12.042 3.194 -6.297 1.00 0.00 O ATOM 607 CB GLU A 37 11.939 0.124 -6.372 1.00 0.00 C ATOM 608 CG GLU A 37 12.803 -0.574 -5.320 1.00 0.00 C ATOM 609 CD GLU A 37 13.438 -1.845 -5.889 1.00 0.00 C ATOM 610 OE1 GLU A 37 13.891 -1.782 -7.052 1.00 0.00 O ATOM 611 OE2 GLU A 37 13.455 -2.851 -5.147 1.00 0.00 O ATOM 0 H GLU A 37 10.043 1.486 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 37 10.628 0.678 -4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.372 -0.619 -6.934 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.578 0.644 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.584 0.105 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.194 -0.825 -4.452 1.00 0.00 H new ATOM 618 N ASP A 38 11.881 2.665 -4.104 1.00 0.00 N ATOM 619 CA ASP A 38 12.544 3.876 -3.649 1.00 0.00 C ATOM 620 C ASP A 38 11.835 5.095 -4.244 1.00 0.00 C ATOM 621 O ASP A 38 12.041 5.431 -5.408 1.00 0.00 O ATOM 622 CB ASP A 38 14.003 3.909 -4.106 1.00 0.00 C ATOM 623 CG ASP A 38 15.029 3.590 -3.017 1.00 0.00 C ATOM 624 OD1 ASP A 38 14.584 3.228 -1.906 1.00 0.00 O ATOM 625 OD2 ASP A 38 16.236 3.715 -3.320 1.00 0.00 O ATOM 0 H ASP A 38 11.588 2.033 -3.358 1.00 0.00 H new ATOM 0 HA ASP A 38 12.506 3.892 -2.560 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.129 3.197 -4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.219 4.898 -4.509 1.00 0.00 H new ATOM 630 N VAL A 39 11.013 5.723 -3.416 1.00 0.00 N ATOM 631 CA VAL A 39 10.272 6.897 -3.845 1.00 0.00 C ATOM 632 C VAL A 39 10.724 8.108 -3.025 1.00 0.00 C ATOM 633 O VAL A 39 11.143 7.963 -1.878 1.00 0.00 O ATOM 634 CB VAL A 39 8.768 6.633 -3.743 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.183 6.265 -5.107 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.471 5.547 -2.707 1.00 0.00 C ATOM 0 H VAL A 39 10.844 5.441 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 39 10.479 7.118 -4.892 1.00 0.00 H new ATOM 0 HB VAL A 39 8.288 7.553 -3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.113 6.082 -5.007 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.347 7.085 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.671 5.365 -5.481 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.395 5.379 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.969 4.622 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.837 5.866 -1.731 1.00 0.00 H new ATOM 646 N GLU A 40 10.623 9.274 -3.646 1.00 0.00 N ATOM 647 CA GLU A 40 11.015 10.508 -2.988 1.00 0.00 C ATOM 648 C GLU A 40 10.272 10.662 -1.660 1.00 0.00 C ATOM 649 O GLU A 40 9.290 9.964 -1.410 1.00 0.00 O ATOM 650 CB GLU A 40 10.771 11.715 -3.896 1.00 0.00 C ATOM 651 CG GLU A 40 11.338 12.993 -3.274 1.00 0.00 C ATOM 652 CD GLU A 40 11.604 14.053 -4.345 1.00 0.00 C ATOM 653 OE1 GLU A 40 12.435 13.765 -5.234 1.00 0.00 O ATOM 654 OE2 GLU A 40 10.971 15.126 -4.251 1.00 0.00 O ATOM 0 H GLU A 40 10.275 9.390 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 40 12.084 10.461 -2.780 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.234 11.543 -4.868 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.701 11.834 -4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.638 13.384 -2.536 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.264 12.765 -2.745 1.00 0.00 H new ATOM 661 N THR A 41 10.767 11.581 -0.844 1.00 0.00 N ATOM 662 CA THR A 41 10.161 11.835 0.452 1.00 0.00 C ATOM 663 C THR A 41 8.657 12.067 0.301 1.00 0.00 C ATOM 664 O THR A 41 7.856 11.449 1.002 1.00 0.00 O ATOM 665 CB THR A 41 10.897 13.013 1.095 1.00 0.00 C ATOM 666 OG1 THR A 41 12.029 12.415 1.721 1.00 0.00 O ATOM 667 CG2 THR A 41 10.112 13.631 2.254 1.00 0.00 C ATOM 0 H THR A 41 11.581 12.159 -1.055 1.00 0.00 H new ATOM 0 HA THR A 41 10.260 10.973 1.111 1.00 0.00 H new ATOM 0 HB THR A 41 11.091 13.776 0.341 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.564 13.108 2.161 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.678 14.462 2.675 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.151 13.994 1.890 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.947 12.878 3.024 1.00 0.00 H new ATOM 675 N ASN A 42 8.317 12.960 -0.617 1.00 0.00 N ATOM 676 CA ASN A 42 6.923 13.282 -0.868 1.00 0.00 C ATOM 677 C ASN A 42 6.475 12.611 -2.168 1.00 0.00 C ATOM 678 O ASN A 42 5.765 13.215 -2.970 1.00 0.00 O ATOM 679 CB ASN A 42 6.725 14.791 -1.023 1.00 0.00 C ATOM 680 CG ASN A 42 7.091 15.527 0.267 1.00 0.00 C ATOM 681 OD1 ASN A 42 8.188 15.414 0.787 1.00 0.00 O ATOM 682 ND2 ASN A 42 6.112 16.286 0.753 1.00 0.00 N ATOM 0 H ASN A 42 8.983 13.471 -1.196 1.00 0.00 H new ATOM 0 HA ASN A 42 6.337 12.927 -0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.341 15.160 -1.844 1.00 0.00 H new ATOM 0 HB3 ASN A 42 5.688 15.000 -1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 42 6.257 16.818 1.611 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.216 16.336 0.267 1.00 0.00 H new ATOM 689 N CYS A 43 6.910 11.370 -2.336 1.00 0.00 N ATOM 690 CA CYS A 43 6.563 10.610 -3.525 1.00 0.00 C ATOM 691 C CYS A 43 6.046 9.239 -3.085 1.00 0.00 C ATOM 692 O CYS A 43 5.785 8.373 -3.919 1.00 0.00 O ATOM 693 CB CYS A 43 7.748 10.492 -4.486 1.00 0.00 C ATOM 694 SG CYS A 43 7.495 9.328 -5.875 1.00 0.00 S ATOM 0 H CYS A 43 7.499 10.872 -1.669 1.00 0.00 H new ATOM 0 HA CYS A 43 5.782 11.131 -4.078 1.00 0.00 H new ATOM 0 HB2 CYS A 43 7.968 11.479 -4.893 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.626 10.177 -3.922 1.00 0.00 H new ATOM 0 HG CYS A 43 6.633 8.419 -5.528 1.00 0.00 H new ATOM 699 N GLU A 44 5.912 9.085 -1.776 1.00 0.00 N ATOM 700 CA GLU A 44 5.430 7.834 -1.215 1.00 0.00 C ATOM 701 C GLU A 44 3.914 7.722 -1.392 1.00 0.00 C ATOM 702 O GLU A 44 3.342 6.650 -1.206 1.00 0.00 O ATOM 703 CB GLU A 44 5.820 7.708 0.259 1.00 0.00 C ATOM 704 CG GLU A 44 7.277 7.262 0.403 1.00 0.00 C ATOM 705 CD GLU A 44 7.957 7.980 1.571 1.00 0.00 C ATOM 706 OE1 GLU A 44 8.371 9.140 1.359 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.047 7.353 2.648 1.00 0.00 O ATOM 0 H GLU A 44 6.129 9.806 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 44 5.901 7.012 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.678 8.666 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.165 6.990 0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.317 6.184 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.818 7.469 -0.520 1.00 0.00 H new ATOM 714 N TRP A 45 3.308 8.844 -1.750 1.00 0.00 N ATOM 715 CA TRP A 45 1.870 8.886 -1.954 1.00 0.00 C ATOM 716 C TRP A 45 1.596 8.651 -3.441 1.00 0.00 C ATOM 717 O TRP A 45 0.831 7.759 -3.802 1.00 0.00 O ATOM 718 CB TRP A 45 1.280 10.200 -1.438 1.00 0.00 C ATOM 719 CG TRP A 45 1.200 10.289 0.088 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.031 10.928 0.921 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.195 9.690 0.932 1.00 0.00 C ATOM 722 NE1 TRP A 45 1.638 10.786 2.236 1.00 0.00 N ATOM 723 CE2 TRP A 45 0.485 10.009 2.243 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.923 8.904 0.600 1.00 0.00 C ATOM 725 CZ2 TRP A 45 -0.294 9.585 3.326 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.692 8.488 1.693 1.00 0.00 C ATOM 727 CH2 TRP A 45 -1.413 8.801 3.019 1.00 0.00 C ATOM 0 H TRP A 45 3.787 9.731 -1.904 1.00 0.00 H new ATOM 0 HA TRP A 45 1.377 8.101 -1.381 1.00 0.00 H new ATOM 0 HB2 TRP A 45 1.884 11.028 -1.809 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.279 10.325 -1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 45 2.900 11.485 0.603 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.107 11.179 3.052 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.169 8.642 -0.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.045 9.848 4.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.563 7.882 1.493 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -2.056 8.441 3.808 1.00 0.00 H new ATOM 738 N SER A 46 2.238 9.468 -4.264 1.00 0.00 N ATOM 739 CA SER A 46 2.073 9.361 -5.704 1.00 0.00 C ATOM 740 C SER A 46 2.372 7.932 -6.160 1.00 0.00 C ATOM 741 O SER A 46 1.907 7.503 -7.215 1.00 0.00 O ATOM 742 CB SER A 46 2.980 10.352 -6.437 1.00 0.00 C ATOM 743 OG SER A 46 2.824 10.273 -7.851 1.00 0.00 O ATOM 0 H SER A 46 2.873 10.206 -3.961 1.00 0.00 H new ATOM 0 HA SER A 46 1.039 9.605 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.755 11.365 -6.103 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.019 10.154 -6.175 1.00 0.00 H new ATOM 0 HG SER A 46 3.418 10.922 -8.282 1.00 0.00 H new ATOM 749 N ALA A 47 3.145 7.233 -5.342 1.00 0.00 N ATOM 750 CA ALA A 47 3.511 5.860 -5.648 1.00 0.00 C ATOM 751 C ALA A 47 2.369 4.929 -5.235 1.00 0.00 C ATOM 752 O ALA A 47 2.248 3.822 -5.757 1.00 0.00 O ATOM 753 CB ALA A 47 4.827 5.514 -4.948 1.00 0.00 C ATOM 0 H ALA A 47 3.528 7.592 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 47 3.669 5.734 -6.719 1.00 0.00 H new ATOM 0 HB1 ALA A 47 5.101 4.484 -5.177 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.612 6.185 -5.297 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.706 5.626 -3.870 1.00 0.00 H new ATOM 759 N PHE A 48 1.561 5.412 -4.303 1.00 0.00 N ATOM 760 CA PHE A 48 0.433 4.637 -3.815 1.00 0.00 C ATOM 761 C PHE A 48 -0.454 4.172 -4.971 1.00 0.00 C ATOM 762 O PHE A 48 -0.951 3.047 -4.964 1.00 0.00 O ATOM 763 CB PHE A 48 -0.380 5.556 -2.901 1.00 0.00 C ATOM 764 CG PHE A 48 -1.442 4.830 -2.074 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.694 4.657 -2.576 1.00 0.00 C ATOM 766 CD2 PHE A 48 -1.134 4.356 -0.837 1.00 0.00 C ATOM 767 CE1 PHE A 48 -3.680 3.983 -1.808 1.00 0.00 C ATOM 768 CE2 PHE A 48 -2.120 3.682 -0.069 1.00 0.00 C ATOM 769 CZ PHE A 48 -3.372 3.510 -0.571 1.00 0.00 C ATOM 0 H PHE A 48 1.665 6.331 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 48 0.790 3.752 -3.288 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.301 6.074 -2.225 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.867 6.318 -3.509 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.938 5.032 -3.559 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.139 4.492 -0.439 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.674 3.846 -2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.876 3.306 0.914 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.122 2.997 0.013 1.00 0.00 H new ATOM 779 N SER A 49 -0.626 5.062 -5.938 1.00 0.00 N ATOM 780 CA SER A 49 -1.445 4.758 -7.098 1.00 0.00 C ATOM 781 C SER A 49 -0.906 3.514 -7.808 1.00 0.00 C ATOM 782 O SER A 49 -1.675 2.640 -8.206 1.00 0.00 O ATOM 783 CB SER A 49 -1.492 5.942 -8.066 1.00 0.00 C ATOM 784 OG SER A 49 -2.745 6.034 -8.737 1.00 0.00 O ATOM 0 H SER A 49 -0.212 5.994 -5.941 1.00 0.00 H new ATOM 0 HA SER A 49 -2.461 4.563 -6.756 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.306 6.866 -7.518 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.694 5.841 -8.801 1.00 0.00 H new ATOM 0 HG SER A 49 -2.735 6.803 -9.344 1.00 0.00 H new ATOM 790 N CYS A 50 0.411 3.474 -7.944 1.00 0.00 N ATOM 791 CA CYS A 50 1.062 2.351 -8.598 1.00 0.00 C ATOM 792 C CYS A 50 0.718 1.078 -7.823 1.00 0.00 C ATOM 793 O CYS A 50 0.409 0.048 -8.420 1.00 0.00 O ATOM 794 CB CYS A 50 2.574 2.561 -8.709 1.00 0.00 C ATOM 795 SG CYS A 50 3.285 2.162 -10.347 1.00 0.00 S ATOM 0 H CYS A 50 1.045 4.201 -7.613 1.00 0.00 H new ATOM 0 HA CYS A 50 0.697 2.261 -9.621 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.801 3.601 -8.474 1.00 0.00 H new ATOM 0 HB3 CYS A 50 3.068 1.948 -7.955 1.00 0.00 H new ATOM 0 HG CYS A 50 4.567 2.378 -10.328 1.00 0.00 H new ATOM 800 N PHE A 51 0.782 1.190 -6.504 1.00 0.00 N ATOM 801 CA PHE A 51 0.481 0.061 -5.642 1.00 0.00 C ATOM 802 C PHE A 51 -1.001 -0.312 -5.724 1.00 0.00 C ATOM 803 O PHE A 51 -1.345 -1.491 -5.792 1.00 0.00 O ATOM 804 CB PHE A 51 0.807 0.492 -4.210 1.00 0.00 C ATOM 805 CG PHE A 51 2.276 0.310 -3.826 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.776 -0.937 -3.616 1.00 0.00 C ATOM 807 CD2 PHE A 51 3.084 1.397 -3.694 1.00 0.00 C ATOM 808 CE1 PHE A 51 4.140 -1.105 -3.259 1.00 0.00 C ATOM 809 CE2 PHE A 51 4.448 1.229 -3.337 1.00 0.00 C ATOM 810 CZ PHE A 51 4.947 -0.019 -3.127 1.00 0.00 C ATOM 0 H PHE A 51 1.038 2.046 -6.012 1.00 0.00 H new ATOM 0 HA PHE A 51 1.064 -0.807 -5.949 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.537 1.541 -4.087 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.188 -0.080 -3.519 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.135 -1.800 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.688 2.388 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.536 -2.096 -3.092 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.089 2.092 -3.232 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.984 -0.147 -2.855 1.00 0.00 H new ATOM 820 N GLN A 52 -1.838 0.715 -5.716 1.00 0.00 N ATOM 821 CA GLN A 52 -3.275 0.509 -5.789 1.00 0.00 C ATOM 822 C GLN A 52 -3.652 -0.134 -7.125 1.00 0.00 C ATOM 823 O GLN A 52 -4.276 -1.194 -7.154 1.00 0.00 O ATOM 824 CB GLN A 52 -4.028 1.825 -5.583 1.00 0.00 C ATOM 825 CG GLN A 52 -3.837 2.348 -4.157 1.00 0.00 C ATOM 826 CD GLN A 52 -4.584 1.474 -3.148 1.00 0.00 C ATOM 827 OE1 GLN A 52 -5.773 1.228 -3.262 1.00 0.00 O ATOM 828 NE2 GLN A 52 -3.822 1.021 -2.156 1.00 0.00 N ATOM 0 H GLN A 52 -1.549 1.692 -5.660 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.566 -0.169 -4.987 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.672 2.567 -6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.090 1.676 -5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.775 2.366 -3.912 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.197 3.375 -4.091 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.832 1.265 -2.121 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.227 0.429 -1.431 1.00 0.00 H new ATOM 837 N LYS A 53 -3.257 0.533 -8.199 1.00 0.00 N ATOM 838 CA LYS A 53 -3.545 0.040 -9.535 1.00 0.00 C ATOM 839 C LYS A 53 -3.046 -1.401 -9.661 1.00 0.00 C ATOM 840 O LYS A 53 -3.639 -2.207 -10.376 1.00 0.00 O ATOM 841 CB LYS A 53 -2.969 0.984 -10.592 1.00 0.00 C ATOM 842 CG LYS A 53 -3.073 0.372 -11.990 1.00 0.00 C ATOM 843 CD LYS A 53 -4.075 1.142 -12.852 1.00 0.00 C ATOM 844 CE LYS A 53 -4.231 0.489 -14.227 1.00 0.00 C ATOM 845 NZ LYS A 53 -5.636 0.082 -14.452 1.00 0.00 N ATOM 0 H LYS A 53 -2.739 1.411 -8.171 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.621 0.022 -9.710 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.504 1.934 -10.566 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.925 1.199 -10.362 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.094 0.381 -12.469 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.380 -0.671 -11.912 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.042 1.176 -12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.741 2.173 -12.971 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.919 1.186 -15.005 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.578 -0.381 -14.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.724 -0.359 -15.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.921 -0.600 -13.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.252 0.919 -14.404 1.00 0.00 H new ATOM 859 N ALA A 54 -1.960 -1.681 -8.955 1.00 0.00 N ATOM 860 CA ALA A 54 -1.374 -3.011 -8.979 1.00 0.00 C ATOM 861 C ALA A 54 -2.490 -4.056 -8.922 1.00 0.00 C ATOM 862 O ALA A 54 -2.544 -4.957 -9.758 1.00 0.00 O ATOM 863 CB ALA A 54 -0.383 -3.152 -7.821 1.00 0.00 C ATOM 0 H ALA A 54 -1.471 -1.010 -8.363 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.820 -3.171 -9.904 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.057 -4.149 -7.838 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.405 -2.406 -7.923 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.904 -3.002 -6.876 1.00 0.00 H new ATOM 869 N GLN A 55 -3.353 -3.901 -7.929 1.00 0.00 N ATOM 870 CA GLN A 55 -4.464 -4.820 -7.752 1.00 0.00 C ATOM 871 C GLN A 55 -3.946 -6.221 -7.419 1.00 0.00 C ATOM 872 O GLN A 55 -3.288 -6.856 -8.241 1.00 0.00 O ATOM 873 CB GLN A 55 -5.356 -4.847 -8.995 1.00 0.00 C ATOM 874 CG GLN A 55 -6.507 -5.841 -8.823 1.00 0.00 C ATOM 875 CD GLN A 55 -7.289 -6.005 -10.127 1.00 0.00 C ATOM 876 OE1 GLN A 55 -7.358 -5.112 -10.956 1.00 0.00 O ATOM 877 NE2 GLN A 55 -7.873 -7.192 -10.262 1.00 0.00 N ATOM 0 H GLN A 55 -3.305 -3.152 -7.238 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.071 -4.470 -6.917 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.756 -3.850 -9.181 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.762 -5.120 -9.867 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.114 -6.807 -8.507 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.176 -5.496 -8.035 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.775 -7.895 -9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.419 -7.400 -11.098 1.00 0.00 H new ATOM 886 N LEU A 56 -4.264 -6.662 -6.210 1.00 0.00 N ATOM 887 CA LEU A 56 -3.839 -7.976 -5.758 1.00 0.00 C ATOM 888 C LEU A 56 -4.813 -9.032 -6.285 1.00 0.00 C ATOM 889 O LEU A 56 -6.022 -8.809 -6.310 1.00 0.00 O ATOM 890 CB LEU A 56 -3.679 -7.993 -4.236 1.00 0.00 C ATOM 891 CG LEU A 56 -3.181 -9.306 -3.629 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.240 -10.403 -3.752 1.00 0.00 C ATOM 893 CD2 LEU A 56 -1.846 -9.725 -4.248 1.00 0.00 C ATOM 0 H LEU A 56 -4.810 -6.133 -5.530 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.856 -8.218 -6.162 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.986 -7.200 -3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.642 -7.750 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.006 -9.146 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.861 -11.326 -3.313 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.144 -10.096 -3.227 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -4.471 -10.570 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.515 -10.661 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.970 -9.862 -5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.101 -8.951 -4.065 1.00 0.00 H new ATOM 905 N LYS A 57 -4.249 -10.159 -6.694 1.00 0.00 N ATOM 906 CA LYS A 57 -5.052 -11.250 -7.220 1.00 0.00 C ATOM 907 C LYS A 57 -4.613 -12.562 -6.567 1.00 0.00 C ATOM 908 O LYS A 57 -3.428 -12.893 -6.566 1.00 0.00 O ATOM 909 CB LYS A 57 -4.990 -11.273 -8.749 1.00 0.00 C ATOM 910 CG LYS A 57 -6.331 -11.704 -9.346 1.00 0.00 C ATOM 911 CD LYS A 57 -7.367 -10.584 -9.233 1.00 0.00 C ATOM 912 CE LYS A 57 -8.619 -10.911 -10.049 1.00 0.00 C ATOM 913 NZ LYS A 57 -8.495 -10.380 -11.425 1.00 0.00 N ATOM 0 H LYS A 57 -3.245 -10.340 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.103 -11.105 -6.969 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.724 -10.283 -9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.206 -11.957 -9.074 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.196 -11.975 -10.393 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.694 -12.593 -8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.638 -10.438 -8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.934 -9.647 -9.584 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -8.767 -11.990 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.497 -10.483 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -9.217 -10.817 -12.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -8.631 -9.349 -11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.550 -10.600 -11.798 1.00 0.00 H new ATOM 927 N SER A 58 -5.591 -13.273 -6.026 1.00 0.00 N ATOM 928 CA SER A 58 -5.320 -14.541 -5.371 1.00 0.00 C ATOM 929 C SER A 58 -5.318 -15.673 -6.402 1.00 0.00 C ATOM 930 O SER A 58 -5.939 -15.557 -7.457 1.00 0.00 O ATOM 931 CB SER A 58 -6.348 -14.825 -4.274 1.00 0.00 C ATOM 932 OG SER A 58 -7.684 -14.637 -4.732 1.00 0.00 O ATOM 0 H SER A 58 -6.572 -12.995 -6.028 1.00 0.00 H new ATOM 0 HA SER A 58 -4.337 -14.481 -4.904 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.227 -15.849 -3.920 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.161 -14.170 -3.423 1.00 0.00 H new ATOM 0 HG SER A 58 -7.774 -15.003 -5.636 1.00 0.00 H new ATOM 938 N ALA A 59 -4.612 -16.740 -6.059 1.00 0.00 N ATOM 939 CA ALA A 59 -4.521 -17.891 -6.941 1.00 0.00 C ATOM 940 C ALA A 59 -5.928 -18.402 -7.253 1.00 0.00 C ATOM 941 O ALA A 59 -6.128 -19.126 -8.228 1.00 0.00 O ATOM 942 CB ALA A 59 -3.642 -18.963 -6.293 1.00 0.00 C ATOM 0 H ALA A 59 -4.098 -16.832 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.054 -17.614 -7.886 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.574 -19.826 -6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.645 -18.559 -6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.081 -19.268 -5.343 1.00 0.00 H new ATOM 948 N ASN A 60 -6.868 -18.006 -6.408 1.00 0.00 N ATOM 949 CA ASN A 60 -8.252 -18.414 -6.582 1.00 0.00 C ATOM 950 C ASN A 60 -8.323 -19.941 -6.652 1.00 0.00 C ATOM 951 O ASN A 60 -8.715 -20.501 -7.674 1.00 0.00 O ATOM 952 CB ASN A 60 -8.833 -17.854 -7.881 1.00 0.00 C ATOM 953 CG ASN A 60 -8.272 -16.462 -8.177 1.00 0.00 C ATOM 954 OD1 ASN A 60 -8.366 -15.544 -7.379 1.00 0.00 O ATOM 955 ND2 ASN A 60 -7.685 -16.357 -9.366 1.00 0.00 N ATOM 0 H ASN A 60 -6.699 -17.407 -5.600 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.825 -18.032 -5.737 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.601 -18.527 -8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.919 -17.804 -7.806 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.279 -15.468 -9.658 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.641 -17.166 -9.986 1.00 0.00 H new ATOM 997 N ASN A 64 -10.029 -18.795 0.995 1.00 0.00 N ATOM 998 CA ASN A 64 -9.377 -17.527 1.276 1.00 0.00 C ATOM 999 C ASN A 64 -9.745 -16.517 0.187 1.00 0.00 C ATOM 1000 O ASN A 64 -9.795 -15.315 0.442 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.855 -17.680 1.284 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.433 -18.920 2.074 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.134 -18.864 3.256 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -7.425 -20.041 1.357 1.00 0.00 N ATOM 0 HA ASN A 64 -9.710 -17.187 2.256 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.488 -17.754 0.260 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.399 -16.792 1.723 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.157 -20.923 1.793 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.687 -20.018 0.371 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.993 -17.043 -1.004 1.00 0.00 N ATOM 1012 CA GLU A 65 -10.355 -16.202 -2.132 1.00 0.00 C ATOM 1013 C GLU A 65 -11.273 -15.066 -1.675 1.00 0.00 C ATOM 1014 O GLU A 65 -11.233 -13.969 -2.231 1.00 0.00 O ATOM 1015 CB GLU A 65 -11.013 -17.026 -3.241 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.687 -16.449 -4.620 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.777 -15.478 -5.080 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -11.780 -14.341 -4.561 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -12.582 -15.896 -5.940 1.00 0.00 O ATOM 0 H GLU A 65 -9.950 -18.041 -1.212 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.444 -15.764 -2.541 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.669 -18.059 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -12.093 -17.041 -3.095 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.727 -15.934 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.588 -17.259 -5.343 1.00 0.00 H new ATOM 1026 N ARG A 66 -12.079 -15.368 -0.668 1.00 0.00 N ATOM 1027 CA ARG A 66 -13.005 -14.386 -0.130 1.00 0.00 C ATOM 1028 C ARG A 66 -12.306 -13.514 0.915 1.00 0.00 C ATOM 1029 O ARG A 66 -12.456 -12.293 0.911 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.217 -15.065 0.510 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.172 -14.031 1.110 1.00 0.00 C ATOM 1032 CD ARG A 66 -15.838 -13.198 0.013 1.00 0.00 C ATOM 1033 NE ARG A 66 -17.038 -13.898 -0.496 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.024 -14.768 -1.515 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -15.872 -15.050 -2.140 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -18.161 -15.357 -1.910 1.00 0.00 N ATOM 0 H ARG A 66 -12.110 -16.279 -0.210 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.346 -13.764 -0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -14.742 -15.659 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.884 -15.753 1.288 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.935 -14.536 1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.625 -13.376 1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.117 -12.220 0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.135 -13.025 -0.802 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.932 -13.706 -0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -15.006 -14.602 -1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -15.861 -15.712 -2.916 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.038 -15.143 -1.435 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.150 -16.019 -2.686 1.00 0.00 H new ATOM 1050 N ILE A 67 -11.558 -14.175 1.786 1.00 0.00 N ATOM 1051 CA ILE A 67 -10.836 -13.476 2.835 1.00 0.00 C ATOM 1052 C ILE A 67 -9.789 -12.557 2.202 1.00 0.00 C ATOM 1053 O ILE A 67 -9.201 -11.719 2.883 1.00 0.00 O ATOM 1054 CB ILE A 67 -10.253 -14.471 3.840 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -10.246 -13.884 5.253 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -8.862 -14.938 3.406 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -11.635 -13.371 5.640 1.00 0.00 C ATOM 0 H ILE A 67 -11.436 -15.188 1.787 1.00 0.00 H new ATOM 0 HA ILE A 67 -11.514 -12.842 3.406 1.00 0.00 H new ATOM 0 HB ILE A 67 -10.896 -15.351 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -9.924 -14.644 5.965 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -9.525 -13.069 5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -8.471 -15.645 4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -8.929 -15.424 2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -8.195 -14.079 3.338 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -11.603 -12.959 6.649 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -11.944 -12.594 4.940 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -12.349 -14.194 5.607 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.588 -12.746 0.906 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.622 -11.945 0.174 1.00 0.00 C ATOM 1071 C ILE A 68 -9.301 -10.670 -0.330 1.00 0.00 C ATOM 1072 O ILE A 68 -8.797 -9.568 -0.118 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.969 -12.773 -0.935 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.506 -13.074 -0.605 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -8.121 -12.087 -2.294 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.390 -14.295 0.311 1.00 0.00 C ATOM 0 H ILE A 68 -10.078 -13.442 0.344 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.808 -11.636 0.830 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.488 -13.729 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.951 -13.252 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.053 -12.208 -0.122 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.648 -12.696 -3.064 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.180 -11.967 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.644 -11.108 -2.263 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.340 -14.487 0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.926 -14.104 1.241 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.822 -15.164 -0.185 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.435 -10.862 -0.988 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.189 -9.741 -1.523 1.00 0.00 C ATOM 1090 C ASN A 69 -11.407 -8.704 -0.419 1.00 0.00 C ATOM 1091 O ASN A 69 -11.354 -7.502 -0.672 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.561 -10.190 -2.028 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.455 -8.986 -2.333 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -12.993 -7.889 -2.600 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -14.757 -9.251 -2.277 1.00 0.00 N ATOM 0 H ASN A 69 -10.850 -11.777 -1.163 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.621 -9.318 -2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.441 -10.795 -2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.039 -10.822 -1.279 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -15.436 -8.513 -2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -15.076 -10.192 -2.047 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.650 -9.209 0.782 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.877 -8.342 1.926 1.00 0.00 C ATOM 1104 C VAL A 70 -10.684 -7.398 2.090 1.00 0.00 C ATOM 1105 O VAL A 70 -10.850 -6.244 2.481 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.149 -9.183 3.174 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -13.124 -10.322 2.867 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.845 -9.723 3.767 1.00 0.00 C ATOM 0 H VAL A 70 -11.695 -10.207 0.988 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.761 -7.724 1.767 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.613 -8.536 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.300 -10.904 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -14.068 -9.907 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.700 -10.967 2.097 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -11.067 -10.317 4.653 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.340 -10.347 3.029 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.198 -8.890 4.042 1.00 0.00 H new ATOM 1118 N SER A 71 -9.507 -7.924 1.782 1.00 0.00 N ATOM 1119 CA SER A 71 -8.287 -7.142 1.890 1.00 0.00 C ATOM 1120 C SER A 71 -8.106 -6.278 0.640 1.00 0.00 C ATOM 1121 O SER A 71 -7.441 -5.245 0.687 1.00 0.00 O ATOM 1122 CB SER A 71 -7.069 -8.047 2.090 1.00 0.00 C ATOM 1123 OG SER A 71 -7.101 -8.714 3.349 1.00 0.00 O ATOM 0 H SER A 71 -9.373 -8.882 1.458 1.00 0.00 H new ATOM 0 HA SER A 71 -8.372 -6.494 2.762 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.031 -8.786 1.289 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.159 -7.451 2.018 1.00 0.00 H new ATOM 0 HG SER A 71 -6.308 -9.283 3.438 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.711 -6.733 -0.448 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.625 -6.015 -1.707 1.00 0.00 C ATOM 1131 C ILE A 72 -9.502 -4.763 -1.637 1.00 0.00 C ATOM 1132 O ILE A 72 -9.025 -3.653 -1.862 1.00 0.00 O ATOM 1133 CB ILE A 72 -8.967 -6.941 -2.877 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -7.983 -8.109 -2.957 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.039 -6.161 -4.191 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -8.297 -9.009 -4.154 1.00 0.00 C ATOM 0 H ILE A 72 -9.263 -7.590 -0.483 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.603 -5.679 -1.884 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.956 -7.364 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -6.966 -7.727 -3.042 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -8.029 -8.692 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.283 -6.843 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.809 -5.393 -4.117 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.076 -5.691 -4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.583 -9.832 -4.188 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.306 -9.409 -4.054 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -8.226 -8.429 -5.074 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.770 -4.985 -1.322 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.718 -3.889 -1.219 1.00 0.00 C ATOM 1150 C LYS A 73 -11.093 -2.755 -0.405 1.00 0.00 C ATOM 1151 O LYS A 73 -11.269 -1.582 -0.731 1.00 0.00 O ATOM 1152 CB LYS A 73 -13.052 -4.386 -0.658 1.00 0.00 C ATOM 1153 CG LYS A 73 -12.860 -5.050 0.707 1.00 0.00 C ATOM 1154 CD LYS A 73 -14.193 -5.179 1.446 1.00 0.00 C ATOM 1155 CE LYS A 73 -14.548 -3.879 2.169 1.00 0.00 C ATOM 1156 NZ LYS A 73 -15.983 -3.860 2.530 1.00 0.00 N ATOM 0 H LYS A 73 -11.163 -5.908 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.944 -3.486 -2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.746 -3.550 -0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.500 -5.097 -1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.416 -6.037 0.576 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -12.163 -4.464 1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.982 -5.433 0.738 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.136 -5.996 2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.940 -3.779 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.317 -3.026 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.206 -2.970 3.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.559 -3.934 1.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.194 -4.663 3.157 1.00 0.00 H new ATOM 1170 N LYS A 74 -10.377 -3.144 0.640 1.00 0.00 N ATOM 1171 CA LYS A 74 -9.725 -2.174 1.503 1.00 0.00 C ATOM 1172 C LYS A 74 -8.437 -1.687 0.835 1.00 0.00 C ATOM 1173 O LYS A 74 -8.238 -0.485 0.666 1.00 0.00 O ATOM 1174 CB LYS A 74 -9.509 -2.760 2.900 1.00 0.00 C ATOM 1175 CG LYS A 74 -9.475 -1.656 3.959 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.275 -2.061 5.199 1.00 0.00 C ATOM 1177 CE LYS A 74 -11.519 -1.185 5.359 1.00 0.00 C ATOM 1178 NZ LYS A 74 -12.747 -1.992 5.187 1.00 0.00 N ATOM 0 H LYS A 74 -10.234 -4.118 0.908 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.362 -1.301 1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.308 -3.465 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.574 -3.320 2.923 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.443 -1.448 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.884 -0.735 3.543 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.570 -3.107 5.120 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.647 -1.973 6.086 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.518 -0.719 6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.500 -0.379 4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.581 -1.397 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.787 -2.361 4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.738 -2.786 5.859 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.597 -2.646 0.472 1.00 0.00 N ATOM 1193 CA LEU A 75 -6.335 -2.329 -0.174 1.00 0.00 C ATOM 1194 C LEU A 75 -6.583 -1.334 -1.309 1.00 0.00 C ATOM 1195 O LEU A 75 -5.732 -0.494 -1.600 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.627 -3.610 -0.622 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.566 -3.443 -1.712 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.184 -3.853 -1.199 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.957 -4.205 -2.979 1.00 0.00 C ATOM 0 H LEU A 75 -7.766 -3.642 0.613 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.657 -1.846 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.156 -4.065 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.380 -4.312 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.511 -2.387 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.448 -3.725 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.912 -3.229 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.206 -4.898 -0.890 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.186 -4.070 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.058 -5.266 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.906 -3.824 -3.355 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.752 -1.460 -1.919 1.00 0.00 N ATOM 1212 CA LYS A 76 -8.123 -0.582 -3.015 1.00 0.00 C ATOM 1213 C LYS A 76 -8.604 0.756 -2.451 1.00 0.00 C ATOM 1214 O LYS A 76 -9.710 1.201 -2.755 1.00 0.00 O ATOM 1215 CB LYS A 76 -9.142 -1.266 -3.929 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.449 -1.955 -5.106 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.219 -1.724 -6.407 1.00 0.00 C ATOM 1218 CE LYS A 76 -9.828 -3.029 -6.923 1.00 0.00 C ATOM 1219 NZ LYS A 76 -10.841 -2.752 -7.965 1.00 0.00 N ATOM 0 H LYS A 76 -8.455 -2.157 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.257 -0.371 -3.643 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.712 -1.999 -3.359 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.853 -0.529 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.433 -1.574 -5.208 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.370 -3.024 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.008 -0.991 -6.241 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.550 -1.308 -7.160 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.044 -3.667 -7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.286 -3.575 -6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.244 -3.649 -8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.598 -2.161 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.394 -2.251 -8.759 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.749 1.361 -1.639 1.00 0.00 N ATOM 1234 CA ARG A 77 -8.073 2.640 -1.029 1.00 0.00 C ATOM 1235 C ARG A 77 -7.622 3.788 -1.934 1.00 0.00 C ATOM 1236 O ARG A 77 -6.778 3.600 -2.809 1.00 0.00 O ATOM 1237 CB ARG A 77 -7.403 2.783 0.338 1.00 0.00 C ATOM 1238 CG ARG A 77 -8.445 2.851 1.456 1.00 0.00 C ATOM 1239 CD ARG A 77 -8.361 4.182 2.205 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.474 5.066 1.793 1.00 0.00 N ATOM 1241 CZ ARG A 77 -10.768 4.798 2.015 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -11.120 3.670 2.646 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -11.710 5.659 1.605 1.00 0.00 N ATOM 0 H ARG A 77 -6.833 0.989 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.154 2.681 -0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.735 1.939 0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -6.789 3.683 0.353 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -9.443 2.729 1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -8.290 2.027 2.153 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -8.404 4.007 3.280 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.406 4.665 1.998 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.242 5.934 1.310 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -10.403 3.015 2.958 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -12.105 3.466 2.815 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.442 6.518 1.124 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.695 5.455 1.774 1.00 0.00 H new ATOM 1257 N LYS A 78 -8.205 4.953 -1.692 1.00 0.00 N ATOM 1258 CA LYS A 78 -7.874 6.132 -2.474 1.00 0.00 C ATOM 1259 C LYS A 78 -6.848 6.973 -1.711 1.00 0.00 C ATOM 1260 O LYS A 78 -6.826 6.968 -0.482 1.00 0.00 O ATOM 1261 CB LYS A 78 -9.143 6.901 -2.848 1.00 0.00 C ATOM 1262 CG LYS A 78 -9.793 6.310 -4.101 1.00 0.00 C ATOM 1263 CD LYS A 78 -9.498 7.171 -5.330 1.00 0.00 C ATOM 1264 CE LYS A 78 -10.766 7.405 -6.153 1.00 0.00 C ATOM 1265 NZ LYS A 78 -10.506 7.155 -7.589 1.00 0.00 N ATOM 0 H LYS A 78 -8.905 5.106 -0.965 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.413 5.845 -3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.849 6.870 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.900 7.949 -3.020 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.422 5.298 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.871 6.235 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.082 8.128 -5.016 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.744 6.683 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.561 6.747 -5.802 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.114 8.429 -6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.377 7.318 -8.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.762 7.800 -7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.196 6.171 -7.719 1.00 0.00 H new ATOM 1279 N PRO A 79 -6.000 7.694 -2.493 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.974 8.538 -1.905 1.00 0.00 C ATOM 1281 C PRO A 79 -5.582 9.817 -1.325 1.00 0.00 C ATOM 1282 O PRO A 79 -6.770 10.079 -1.503 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.991 8.806 -3.033 1.00 0.00 C ATOM 1284 CG PRO A 79 -4.737 8.493 -4.319 1.00 0.00 C ATOM 1285 CD PRO A 79 -5.996 7.725 -3.953 1.00 0.00 C ATOM 0 HA PRO A 79 -4.472 8.064 -1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.654 9.843 -3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -3.103 8.181 -2.934 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.991 9.413 -4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.112 7.903 -4.989 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -6.887 8.218 -4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -5.981 6.718 -4.370 1.00 0.00 H new ATOM 1628 N LYS A 102 8.088 -4.895 -12.934 1.00 0.00 N ATOM 1629 CA LYS A 102 7.037 -5.547 -12.172 1.00 0.00 C ATOM 1630 C LYS A 102 7.668 -6.460 -11.118 1.00 0.00 C ATOM 1631 O LYS A 102 8.873 -6.707 -11.147 1.00 0.00 O ATOM 1632 CB LYS A 102 6.065 -6.268 -13.108 1.00 0.00 C ATOM 1633 CG LYS A 102 4.937 -5.335 -13.552 1.00 0.00 C ATOM 1634 CD LYS A 102 5.444 -4.306 -14.566 1.00 0.00 C ATOM 1635 CE LYS A 102 5.892 -3.022 -13.866 1.00 0.00 C ATOM 1636 NZ LYS A 102 5.530 -1.837 -14.677 1.00 0.00 N ATOM 0 HA LYS A 102 6.440 -4.808 -11.638 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.602 -6.637 -13.982 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.645 -7.137 -12.602 1.00 0.00 H new ATOM 0 HG2 LYS A 102 4.130 -5.919 -13.994 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.522 -4.822 -12.685 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.276 -4.726 -15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.655 -4.078 -15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.425 -2.954 -12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.970 -3.045 -13.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.841 -0.973 -14.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.996 -1.896 -15.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.499 -1.808 -14.808 1.00 0.00 H new ATOM 1650 N LYS A 103 6.826 -6.937 -10.213 1.00 0.00 N ATOM 1651 CA LYS A 103 7.286 -7.817 -9.153 1.00 0.00 C ATOM 1652 C LYS A 103 6.146 -8.751 -8.741 1.00 0.00 C ATOM 1653 O LYS A 103 5.016 -8.599 -9.202 1.00 0.00 O ATOM 1654 CB LYS A 103 7.863 -7.003 -7.993 1.00 0.00 C ATOM 1655 CG LYS A 103 9.378 -7.192 -7.891 1.00 0.00 C ATOM 1656 CD LYS A 103 9.967 -6.311 -6.788 1.00 0.00 C ATOM 1657 CE LYS A 103 10.429 -4.964 -7.349 1.00 0.00 C ATOM 1658 NZ LYS A 103 11.806 -4.660 -6.900 1.00 0.00 N ATOM 0 H LYS A 103 5.827 -6.730 -10.192 1.00 0.00 H new ATOM 0 HA LYS A 103 8.102 -8.446 -9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.633 -5.947 -8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.391 -7.309 -7.059 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.605 -8.238 -7.686 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.844 -6.946 -8.845 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.221 -6.148 -6.010 1.00 0.00 H new ATOM 0 HD3 LYS A 103 10.809 -6.822 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.392 -4.985 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.751 -4.175 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.210 -3.912 -7.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.786 -4.338 -5.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.392 -5.516 -6.973 1.00 0.00 H new ATOM 1672 N PRO A 104 6.492 -9.723 -7.854 1.00 0.00 N ATOM 1673 CA PRO A 104 5.511 -10.682 -7.375 1.00 0.00 C ATOM 1674 C PRO A 104 4.568 -10.039 -6.356 1.00 0.00 C ATOM 1675 O PRO A 104 4.763 -8.890 -5.964 1.00 0.00 O ATOM 1676 CB PRO A 104 6.328 -11.823 -6.791 1.00 0.00 C ATOM 1677 CG PRO A 104 7.717 -11.256 -6.544 1.00 0.00 C ATOM 1678 CD PRO A 104 7.820 -9.934 -7.287 1.00 0.00 C ATOM 0 HA PRO A 104 4.856 -11.044 -8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.884 -12.187 -5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.367 -12.668 -7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.885 -11.108 -5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.481 -11.951 -6.894 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.097 -9.122 -6.614 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.581 -9.976 -8.066 1.00 0.00 H new ATOM 1686 N PRO A 105 3.540 -10.829 -5.946 1.00 0.00 N ATOM 1687 CA PRO A 105 2.567 -10.349 -4.980 1.00 0.00 C ATOM 1688 C PRO A 105 3.159 -10.328 -3.569 1.00 0.00 C ATOM 1689 O PRO A 105 2.885 -9.415 -2.791 1.00 0.00 O ATOM 1690 CB PRO A 105 1.383 -11.293 -5.112 1.00 0.00 C ATOM 1691 CG PRO A 105 1.915 -12.535 -5.808 1.00 0.00 C ATOM 1692 CD PRO A 105 3.278 -12.195 -6.389 1.00 0.00 C ATOM 0 HA PRO A 105 2.262 -9.319 -5.167 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.970 -11.540 -4.134 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.581 -10.835 -5.690 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.996 -13.363 -5.103 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.232 -12.853 -6.596 1.00 0.00 H new ATOM 0 HD2 PRO A 105 4.044 -12.882 -6.029 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.273 -12.264 -7.477 1.00 0.00 H new ATOM 1700 N LYS A 106 3.960 -11.343 -3.282 1.00 0.00 N ATOM 1701 CA LYS A 106 4.593 -11.452 -1.979 1.00 0.00 C ATOM 1702 C LYS A 106 5.387 -10.176 -1.694 1.00 0.00 C ATOM 1703 O LYS A 106 5.366 -9.664 -0.576 1.00 0.00 O ATOM 1704 CB LYS A 106 5.432 -12.729 -1.896 1.00 0.00 C ATOM 1705 CG LYS A 106 6.276 -12.914 -3.158 1.00 0.00 C ATOM 1706 CD LYS A 106 7.759 -13.062 -2.810 1.00 0.00 C ATOM 1707 CE LYS A 106 8.419 -14.142 -3.669 1.00 0.00 C ATOM 1708 NZ LYS A 106 9.226 -15.053 -2.827 1.00 0.00 N ATOM 0 H LYS A 106 4.185 -12.098 -3.930 1.00 0.00 H new ATOM 0 HA LYS A 106 3.840 -11.541 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 106 6.083 -12.685 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.777 -13.590 -1.763 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.936 -13.796 -3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 106 6.138 -12.060 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 106 8.268 -12.110 -2.961 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.865 -13.316 -1.755 1.00 0.00 H new ATOM 0 HE2 LYS A 106 7.655 -14.710 -4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 106 9.053 -13.677 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 9.667 -15.780 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.967 -14.510 -2.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.612 -15.510 -2.123 1.00 0.00 H new ATOM 1722 N GLU A 107 6.069 -9.698 -2.725 1.00 0.00 N ATOM 1723 CA GLU A 107 6.868 -8.491 -2.600 1.00 0.00 C ATOM 1724 C GLU A 107 5.973 -7.253 -2.666 1.00 0.00 C ATOM 1725 O GLU A 107 6.020 -6.400 -1.780 1.00 0.00 O ATOM 1726 CB GLU A 107 7.956 -8.440 -3.674 1.00 0.00 C ATOM 1727 CG GLU A 107 9.323 -8.139 -3.057 1.00 0.00 C ATOM 1728 CD GLU A 107 10.315 -9.268 -3.344 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.135 -9.929 -4.389 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.230 -9.445 -2.511 1.00 0.00 O ATOM 0 H GLU A 107 6.084 -10.125 -3.651 1.00 0.00 H new ATOM 0 HA GLU A 107 7.363 -8.505 -1.629 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.994 -9.392 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.709 -7.675 -4.410 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.708 -7.201 -3.457 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.219 -8.007 -1.980 1.00 0.00 H new ATOM 1737 N PHE A 108 5.177 -7.192 -3.724 1.00 0.00 N ATOM 1738 CA PHE A 108 4.272 -6.072 -3.917 1.00 0.00 C ATOM 1739 C PHE A 108 3.591 -5.685 -2.603 1.00 0.00 C ATOM 1740 O PHE A 108 3.347 -4.506 -2.350 1.00 0.00 O ATOM 1741 CB PHE A 108 3.206 -6.525 -4.917 1.00 0.00 C ATOM 1742 CG PHE A 108 1.917 -5.704 -4.866 1.00 0.00 C ATOM 1743 CD1 PHE A 108 1.968 -4.350 -4.982 1.00 0.00 C ATOM 1744 CD2 PHE A 108 0.719 -6.327 -4.706 1.00 0.00 C ATOM 1745 CE1 PHE A 108 0.771 -3.587 -4.936 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.478 -5.565 -4.659 1.00 0.00 C ATOM 1747 CZ PHE A 108 -0.427 -4.211 -4.775 1.00 0.00 C ATOM 0 H PHE A 108 5.140 -7.901 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 108 4.825 -5.205 -4.278 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.620 -6.470 -5.924 1.00 0.00 H new ATOM 0 HB3 PHE A 108 2.966 -7.571 -4.728 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.919 -3.855 -5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.678 -7.402 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 108 0.812 -2.512 -5.029 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.429 -6.061 -4.531 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.337 -3.631 -4.739 1.00 0.00 H new ATOM 1757 N LEU A 109 3.302 -6.700 -1.802 1.00 0.00 N ATOM 1758 CA LEU A 109 2.653 -6.480 -0.520 1.00 0.00 C ATOM 1759 C LEU A 109 3.714 -6.161 0.535 1.00 0.00 C ATOM 1760 O LEU A 109 3.597 -5.174 1.259 1.00 0.00 O ATOM 1761 CB LEU A 109 1.765 -7.672 -0.159 1.00 0.00 C ATOM 1762 CG LEU A 109 0.383 -7.702 -0.814 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.369 -6.392 -0.568 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.490 -8.029 -2.305 1.00 0.00 C ATOM 0 H LEU A 109 3.505 -7.677 -2.015 1.00 0.00 H new ATOM 0 HA LEU A 109 1.986 -5.619 -0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.292 -8.587 -0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.633 -7.687 0.923 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.198 -8.499 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.348 -6.440 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.494 -6.240 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.199 -5.562 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.506 -8.044 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.095 -7.271 -2.801 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.957 -9.006 -2.431 1.00 0.00 H new ATOM 1776 N GLU A 110 4.725 -7.015 0.589 1.00 0.00 N ATOM 1777 CA GLU A 110 5.806 -6.837 1.544 1.00 0.00 C ATOM 1778 C GLU A 110 6.359 -5.413 1.459 1.00 0.00 C ATOM 1779 O GLU A 110 6.902 -4.895 2.434 1.00 0.00 O ATOM 1780 CB GLU A 110 6.912 -7.869 1.319 1.00 0.00 C ATOM 1781 CG GLU A 110 6.800 -9.020 2.321 1.00 0.00 C ATOM 1782 CD GLU A 110 8.055 -9.113 3.193 1.00 0.00 C ATOM 1783 OE1 GLU A 110 9.045 -9.695 2.700 1.00 0.00 O ATOM 1784 OE2 GLU A 110 7.994 -8.600 4.331 1.00 0.00 O ATOM 0 H GLU A 110 4.819 -7.833 -0.013 1.00 0.00 H new ATOM 0 HA GLU A 110 5.408 -6.993 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.849 -8.259 0.303 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.886 -7.390 1.417 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.924 -8.873 2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 110 6.654 -9.959 1.787 1.00 0.00 H new ATOM 1791 N ARG A 111 6.202 -4.820 0.285 1.00 0.00 N ATOM 1792 CA ARG A 111 6.680 -3.466 0.060 1.00 0.00 C ATOM 1793 C ARG A 111 5.575 -2.455 0.376 1.00 0.00 C ATOM 1794 O ARG A 111 5.804 -1.487 1.099 1.00 0.00 O ATOM 1795 CB ARG A 111 7.137 -3.276 -1.387 1.00 0.00 C ATOM 1796 CG ARG A 111 8.334 -2.327 -1.464 1.00 0.00 C ATOM 1797 CD ARG A 111 9.357 -2.816 -2.492 1.00 0.00 C ATOM 1798 NE ARG A 111 10.490 -1.867 -2.569 1.00 0.00 N ATOM 1799 CZ ARG A 111 11.469 -1.791 -1.656 1.00 0.00 C ATOM 1800 NH1 ARG A 111 11.458 -2.606 -0.593 1.00 0.00 N ATOM 1801 NH2 ARG A 111 12.458 -0.899 -1.808 1.00 0.00 N ATOM 0 H ARG A 111 5.750 -5.252 -0.521 1.00 0.00 H new ATOM 0 HA ARG A 111 7.530 -3.300 0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.405 -4.241 -1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.315 -2.879 -1.983 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.993 -1.327 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.806 -2.251 -0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 111 9.719 -3.806 -2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.885 -2.912 -3.470 1.00 0.00 H new ATOM 0 HE ARG A 111 10.529 -1.231 -3.366 1.00 0.00 H new ATOM 0 HH11 ARG A 111 10.705 -3.284 -0.478 1.00 0.00 H new ATOM 0 HH12 ARG A 111 12.203 -2.548 0.102 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.465 -0.279 -2.618 1.00 0.00 H new ATOM 0 HH22 ARG A 111 13.203 -0.840 -1.114 1.00 0.00 H new ATOM 1815 N PHE A 112 4.402 -2.715 -0.183 1.00 0.00 N ATOM 1816 CA PHE A 112 3.262 -1.839 0.030 1.00 0.00 C ATOM 1817 C PHE A 112 3.126 -1.466 1.507 1.00 0.00 C ATOM 1818 O PHE A 112 3.197 -0.290 1.863 1.00 0.00 O ATOM 1819 CB PHE A 112 2.016 -2.614 -0.405 1.00 0.00 C ATOM 1820 CG PHE A 112 0.716 -1.816 -0.291 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.493 -0.758 -1.117 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.217 -2.163 0.635 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.713 -0.017 -1.011 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.424 -1.423 0.740 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.646 -0.365 -0.085 1.00 0.00 C ATOM 0 H PHE A 112 4.216 -3.519 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 112 3.388 -0.918 -0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.143 -2.936 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.931 -3.516 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 112 1.233 -0.482 -1.853 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -0.040 -3.002 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.890 0.823 -1.666 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -2.166 -1.700 1.475 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.564 0.199 -0.005 1.00 0.00 H new ATOM 1835 N LYS A 113 2.933 -2.488 2.328 1.00 0.00 N ATOM 1836 CA LYS A 113 2.787 -2.281 3.759 1.00 0.00 C ATOM 1837 C LYS A 113 3.866 -1.311 4.243 1.00 0.00 C ATOM 1838 O LYS A 113 3.569 -0.345 4.944 1.00 0.00 O ATOM 1839 CB LYS A 113 2.789 -3.621 4.497 1.00 0.00 C ATOM 1840 CG LYS A 113 2.901 -3.415 6.009 1.00 0.00 C ATOM 1841 CD LYS A 113 3.515 -4.642 6.685 1.00 0.00 C ATOM 1842 CE LYS A 113 3.952 -4.318 8.115 1.00 0.00 C ATOM 1843 NZ LYS A 113 5.232 -4.991 8.431 1.00 0.00 N ATOM 0 H LYS A 113 2.874 -3.462 2.030 1.00 0.00 H new ATOM 0 HA LYS A 113 1.823 -1.822 3.981 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.874 -4.168 4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.621 -4.232 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.513 -2.537 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 113 1.913 -3.221 6.427 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.790 -5.456 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 113 4.373 -4.988 6.108 1.00 0.00 H new ATOM 0 HE2 LYS A 113 4.062 -3.240 8.232 1.00 0.00 H new ATOM 0 HE3 LYS A 113 3.183 -4.638 8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.514 -4.761 9.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 5.115 -6.020 8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 5.967 -4.666 7.771 1.00 0.00 H new ATOM 1857 N SER A 114 5.098 -1.602 3.850 1.00 0.00 N ATOM 1858 CA SER A 114 6.223 -0.768 4.235 1.00 0.00 C ATOM 1859 C SER A 114 5.972 0.680 3.806 1.00 0.00 C ATOM 1860 O SER A 114 6.021 1.592 4.630 1.00 0.00 O ATOM 1861 CB SER A 114 7.527 -1.284 3.623 1.00 0.00 C ATOM 1862 OG SER A 114 8.667 -0.877 4.374 1.00 0.00 O ATOM 0 H SER A 114 5.341 -2.404 3.269 1.00 0.00 H new ATOM 0 HA SER A 114 6.322 -0.807 5.320 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.497 -2.372 3.571 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.617 -0.918 2.600 1.00 0.00 H new ATOM 0 HG SER A 114 9.479 -1.228 3.952 1.00 0.00 H new ATOM 1868 N LEU A 115 5.710 0.845 2.518 1.00 0.00 N ATOM 1869 CA LEU A 115 5.452 2.165 1.970 1.00 0.00 C ATOM 1870 C LEU A 115 4.425 2.885 2.847 1.00 0.00 C ATOM 1871 O LEU A 115 4.532 4.089 3.074 1.00 0.00 O ATOM 1872 CB LEU A 115 5.041 2.064 0.500 1.00 0.00 C ATOM 1873 CG LEU A 115 5.075 3.370 -0.297 1.00 0.00 C ATOM 1874 CD1 LEU A 115 3.897 4.271 0.077 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.418 4.083 -0.126 1.00 0.00 C ATOM 0 H LEU A 115 5.671 0.086 1.838 1.00 0.00 H new ATOM 0 HA LEU A 115 6.361 2.767 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.696 1.344 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.030 1.659 0.453 1.00 0.00 H new ATOM 0 HG LEU A 115 4.972 3.127 -1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.945 5.192 -0.504 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.961 3.755 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.944 4.509 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.415 5.008 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.576 4.313 0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.221 3.437 -0.481 1.00 0.00 H new ATOM 1887 N LEU A 116 3.453 2.116 3.317 1.00 0.00 N ATOM 1888 CA LEU A 116 2.408 2.665 4.164 1.00 0.00 C ATOM 1889 C LEU A 116 2.997 3.010 5.534 1.00 0.00 C ATOM 1890 O LEU A 116 2.990 4.171 5.941 1.00 0.00 O ATOM 1891 CB LEU A 116 1.215 1.709 4.231 1.00 0.00 C ATOM 1892 CG LEU A 116 0.726 1.152 2.892 1.00 0.00 C ATOM 1893 CD1 LEU A 116 0.217 -0.282 3.048 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.327 2.070 2.269 1.00 0.00 C ATOM 0 H LEU A 116 3.368 1.117 3.127 1.00 0.00 H new ATOM 0 HA LEU A 116 2.021 3.592 3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.482 0.871 4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.385 2.228 4.711 1.00 0.00 H new ATOM 0 HG LEU A 116 1.572 1.120 2.205 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.125 -0.654 2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.023 -0.916 3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.611 -0.299 3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -0.658 1.652 1.318 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.179 2.157 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.104 3.057 2.100 1.00 0.00 H new ATOM 1906 N GLN A 117 3.491 1.981 6.206 1.00 0.00 N ATOM 1907 CA GLN A 117 4.082 2.161 7.521 1.00 0.00 C ATOM 1908 C GLN A 117 5.295 3.090 7.436 1.00 0.00 C ATOM 1909 O GLN A 117 5.857 3.479 8.458 1.00 0.00 O ATOM 1910 CB GLN A 117 4.465 0.815 8.140 1.00 0.00 C ATOM 1911 CG GLN A 117 5.793 0.309 7.573 1.00 0.00 C ATOM 1912 CD GLN A 117 6.894 0.353 8.635 1.00 0.00 C ATOM 1913 OE1 GLN A 117 6.640 0.404 9.828 1.00 0.00 O ATOM 1914 NE2 GLN A 117 8.127 0.331 8.138 1.00 0.00 N ATOM 0 H GLN A 117 3.494 1.020 5.865 1.00 0.00 H new ATOM 0 HA GLN A 117 3.339 2.624 8.170 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.543 0.917 9.222 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.680 0.084 7.945 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.673 -0.712 7.211 1.00 0.00 H new ATOM 0 HG3 GLN A 117 6.083 0.919 6.717 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.269 0.288 7.129 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.930 0.357 8.766 1.00 0.00 H new ATOM 1923 N LYS A 118 5.663 3.418 6.206 1.00 0.00 N ATOM 1924 CA LYS A 118 6.800 4.293 5.973 1.00 0.00 C ATOM 1925 C LYS A 118 6.318 5.744 5.924 1.00 0.00 C ATOM 1926 O LYS A 118 6.593 6.525 6.834 1.00 0.00 O ATOM 1927 CB LYS A 118 7.566 3.856 4.723 1.00 0.00 C ATOM 1928 CG LYS A 118 8.592 2.772 5.060 1.00 0.00 C ATOM 1929 CD LYS A 118 9.920 3.034 4.347 1.00 0.00 C ATOM 1930 CE LYS A 118 11.100 2.862 5.305 1.00 0.00 C ATOM 1931 NZ LYS A 118 11.706 4.175 5.622 1.00 0.00 N ATOM 0 H LYS A 118 5.194 3.094 5.360 1.00 0.00 H new ATOM 0 HA LYS A 118 7.512 4.220 6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.867 3.480 3.976 1.00 0.00 H new ATOM 0 HB3 LYS A 118 8.071 4.716 4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 118 8.753 2.741 6.138 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.205 1.796 4.768 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.027 2.349 3.506 1.00 0.00 H new ATOM 0 HD3 LYS A 118 9.924 4.044 3.937 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.764 2.379 6.222 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.848 2.208 4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 12.505 4.040 6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 12.045 4.622 4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 10.994 4.787 6.070 1.00 0.00 H new ATOM 1945 N MET A 119 5.607 6.062 4.851 1.00 0.00 N ATOM 1946 CA MET A 119 5.085 7.406 4.671 1.00 0.00 C ATOM 1947 C MET A 119 3.736 7.568 5.374 1.00 0.00 C ATOM 1948 O MET A 119 3.627 8.305 6.354 1.00 0.00 O ATOM 1949 CB MET A 119 4.920 7.693 3.177 1.00 0.00 C ATOM 1950 CG MET A 119 4.538 9.156 2.939 1.00 0.00 C ATOM 1951 SD MET A 119 5.974 10.200 3.124 1.00 0.00 S ATOM 1952 CE MET A 119 5.193 11.706 3.679 1.00 0.00 C ATOM 0 H MET A 119 5.381 5.412 4.098 1.00 0.00 H new ATOM 0 HA MET A 119 5.790 8.112 5.110 1.00 0.00 H new ATOM 0 HB2 MET A 119 5.849 7.466 2.655 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.153 7.041 2.760 1.00 0.00 H new ATOM 0 HG2 MET A 119 4.119 9.273 1.939 1.00 0.00 H new ATOM 0 HG3 MET A 119 3.765 9.458 3.646 1.00 0.00 H new ATOM 0 HE1 MET A 119 5.952 12.470 3.844 1.00 0.00 H new ATOM 0 HE2 MET A 119 4.489 12.051 2.922 1.00 0.00 H new ATOM 0 HE3 MET A 119 4.660 11.517 4.611 1.00 0.00 H new ATOM 1962 N ILE A 120 2.741 6.869 4.847 1.00 0.00 N ATOM 1963 CA ILE A 120 1.404 6.927 5.412 1.00 0.00 C ATOM 1964 C ILE A 120 1.503 7.067 6.932 1.00 0.00 C ATOM 1965 O ILE A 120 0.983 8.023 7.506 1.00 0.00 O ATOM 1966 CB ILE A 120 0.578 5.721 4.958 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.005 5.946 3.557 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.513 5.389 5.978 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.047 6.579 2.633 1.00 0.00 C ATOM 0 H ILE A 120 2.834 6.259 4.035 1.00 0.00 H new ATOM 0 HA ILE A 120 0.873 7.805 5.045 1.00 0.00 H new ATOM 0 HB ILE A 120 1.238 4.856 4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.327 4.996 3.139 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.872 6.591 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.085 4.529 5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.054 5.156 6.939 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.178 6.245 6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.614 6.728 1.644 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.359 7.540 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.912 5.920 2.555 1.00 0.00 H new ATOM 1981 N HIS A 121 2.174 6.100 7.541 1.00 0.00 N ATOM 1982 CA HIS A 121 2.347 6.104 8.984 1.00 0.00 C ATOM 1983 C HIS A 121 2.613 7.532 9.465 1.00 0.00 C ATOM 1984 O HIS A 121 1.909 8.038 10.337 1.00 0.00 O ATOM 1985 CB HIS A 121 3.445 5.124 9.402 1.00 0.00 C ATOM 1986 CG HIS A 121 3.134 4.354 10.663 1.00 0.00 C ATOM 1987 ND1 HIS A 121 3.088 4.948 11.912 1.00 0.00 N ATOM 1988 CD2 HIS A 121 2.853 3.033 10.854 1.00 0.00 C ATOM 1989 CE1 HIS A 121 2.792 4.017 12.807 1.00 0.00 C ATOM 1990 NE2 HIS A 121 2.648 2.831 12.150 1.00 0.00 N ATOM 0 H HIS A 121 2.604 5.309 7.062 1.00 0.00 H new ATOM 0 HA HIS A 121 1.431 5.760 9.465 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.615 4.417 8.590 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.374 5.675 9.545 1.00 0.00 H new ATOM 0 HD2 HIS A 121 2.805 2.279 10.082 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.684 4.171 13.871 1.00 0.00 H new ATOM 0 HE2 HIS A 121 2.420 1.936 12.583 1.00 0.00 H new ATOM 1998 N GLN A 122 3.631 8.141 8.876 1.00 0.00 N ATOM 1999 CA GLN A 122 3.999 9.500 9.233 1.00 0.00 C ATOM 2000 C GLN A 122 2.745 10.353 9.437 1.00 0.00 C ATOM 2001 O GLN A 122 2.682 11.159 10.364 1.00 0.00 O ATOM 2002 CB GLN A 122 4.916 10.117 8.175 1.00 0.00 C ATOM 2003 CG GLN A 122 6.004 9.129 7.749 1.00 0.00 C ATOM 2004 CD GLN A 122 6.572 8.385 8.959 1.00 0.00 C ATOM 2005 OE1 GLN A 122 5.969 7.473 9.499 1.00 0.00 O ATOM 2006 NE2 GLN A 122 7.765 8.824 9.353 1.00 0.00 N ATOM 0 H GLN A 122 4.213 7.718 8.153 1.00 0.00 H new ATOM 0 HA GLN A 122 4.552 9.471 10.172 1.00 0.00 H new ATOM 0 HB2 GLN A 122 4.328 10.412 7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 122 5.376 11.022 8.571 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.592 8.413 7.038 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.805 9.663 7.237 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.215 9.593 8.856 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.229 8.392 10.152 1.00 0.00 H new