USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=15 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 58 SER OG : rot -160:sc= -0.164 USER MOD Set 1.2: A 60 ASN : amide:sc= -2.04 K(o=-2.2,f=-4!) USER MOD Set 2.1: A 49 SER OG : rot -52:sc= 0.0419 USER MOD Set 2.2: A 50 CYS SG : rot 62:sc= 0.125 USER MOD Set 3.1: A 11 MET CE :methyl -106:sc= -0.478 (180deg=0) USER MOD Set 3.2: A 121 HIS : no HE2:sc= -3.63! C(o=-4.1!,f=-5.5!) USER MOD Single : A 13 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1.2) USER MOD Single : A 20 GLN : amide:sc=-0.00177 X(o=-0.0018,f=-0.21) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.406 K(o=-0.41,f=-3.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc=-0.00604 X(o=-0.006,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= -4.13! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -2.73! C(o=-2.7!,f=-5.5!) USER MOD Single : A 53 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0222) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -11.3! C(o=-11!,f=-12!) USER MOD Single : A 69 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.26) USER MOD Single : A 71 SER OG : rot 120:sc= -1.2 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -128:sc= -1.37 (180deg=-3.5!) USER MOD Single : A 103 LYS NZ :NH3+ -141:sc= 0.198 (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= -0.345 X(o=-0.34,f=-0.045) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 MET CE :methyl -164:sc= -0.0341 (180deg=-0.737) USER MOD Single : A 122 GLN : amide:sc= -1.77 K(o=-1.8,f=-5.8!) USER MOD ----------------------------------------------------------------- ATOM 172 N MET A 11 -4.385 3.860 8.189 1.00 0.00 N ATOM 173 CA MET A 11 -3.068 3.280 7.992 1.00 0.00 C ATOM 174 C MET A 11 -2.966 1.909 8.665 1.00 0.00 C ATOM 175 O MET A 11 -2.450 0.961 8.075 1.00 0.00 O ATOM 176 CB MET A 11 -2.006 4.215 8.575 1.00 0.00 C ATOM 177 CG MET A 11 -2.100 4.268 10.101 1.00 0.00 C ATOM 178 SD MET A 11 -1.090 5.599 10.729 1.00 0.00 S ATOM 179 CE MET A 11 -0.279 4.761 12.081 1.00 0.00 C ATOM 0 HA MET A 11 -2.904 3.152 6.922 1.00 0.00 H new ATOM 0 HB2 MET A 11 -1.014 3.873 8.280 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.133 5.217 8.164 1.00 0.00 H new ATOM 0 HG2 MET A 11 -3.137 4.413 10.405 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.772 3.320 10.527 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.706 5.097 13.026 1.00 0.00 H new ATOM 0 HE2 MET A 11 -0.422 3.685 11.981 1.00 0.00 H new ATOM 0 HE3 MET A 11 0.787 4.988 12.063 1.00 0.00 H new ATOM 189 N ARG A 12 -3.465 1.849 9.890 1.00 0.00 N ATOM 190 CA ARG A 12 -3.437 0.610 10.650 1.00 0.00 C ATOM 191 C ARG A 12 -4.053 -0.527 9.833 1.00 0.00 C ATOM 192 O ARG A 12 -3.517 -1.634 9.801 1.00 0.00 O ATOM 193 CB ARG A 12 -4.201 0.754 11.967 1.00 0.00 C ATOM 194 CG ARG A 12 -3.289 0.475 13.163 1.00 0.00 C ATOM 195 CD ARG A 12 -4.078 0.508 14.474 1.00 0.00 C ATOM 196 NE ARG A 12 -3.721 -0.660 15.310 1.00 0.00 N ATOM 197 CZ ARG A 12 -2.558 -0.788 15.964 1.00 0.00 C ATOM 198 NH1 ARG A 12 -1.634 0.179 15.884 1.00 0.00 N ATOM 199 NH2 ARG A 12 -2.320 -1.883 16.699 1.00 0.00 N ATOM 0 H ARG A 12 -3.891 2.638 10.376 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.395 0.380 10.871 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.612 1.761 12.045 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.045 0.064 11.980 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.815 -0.499 13.044 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.490 1.216 13.196 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.864 1.431 15.014 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.148 0.502 14.264 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.402 -1.414 15.394 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.816 1.013 15.325 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.749 0.081 16.382 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.024 -2.619 16.761 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.435 -1.981 17.197 1.00 0.00 H new ATOM 213 N GLN A 13 -5.170 -0.215 9.192 1.00 0.00 N ATOM 214 CA GLN A 13 -5.864 -1.198 8.377 1.00 0.00 C ATOM 215 C GLN A 13 -5.018 -1.570 7.158 1.00 0.00 C ATOM 216 O GLN A 13 -4.772 -2.749 6.906 1.00 0.00 O ATOM 217 CB GLN A 13 -7.241 -0.683 7.952 1.00 0.00 C ATOM 218 CG GLN A 13 -8.235 -0.752 9.113 1.00 0.00 C ATOM 219 CD GLN A 13 -8.899 -2.128 9.186 1.00 0.00 C ATOM 220 OE1 GLN A 13 -8.529 -3.062 8.492 1.00 0.00 O ATOM 221 NE2 GLN A 13 -9.896 -2.202 10.062 1.00 0.00 N ATOM 0 H GLN A 13 -5.611 0.704 9.220 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.017 -2.096 8.976 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.156 0.346 7.602 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.612 -1.275 7.115 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.720 -0.543 10.050 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.997 0.017 8.990 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.154 -1.382 10.611 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.403 -3.079 10.185 1.00 0.00 H new ATOM 230 N LEU A 14 -4.596 -0.544 6.435 1.00 0.00 N ATOM 231 CA LEU A 14 -3.782 -0.749 5.249 1.00 0.00 C ATOM 232 C LEU A 14 -2.730 -1.822 5.536 1.00 0.00 C ATOM 233 O LEU A 14 -2.589 -2.778 4.775 1.00 0.00 O ATOM 234 CB LEU A 14 -3.191 0.578 4.768 1.00 0.00 C ATOM 235 CG LEU A 14 -3.894 1.234 3.578 1.00 0.00 C ATOM 236 CD1 LEU A 14 -3.468 0.580 2.262 1.00 0.00 C ATOM 237 CD2 LEU A 14 -5.413 1.217 3.760 1.00 0.00 C ATOM 0 H LEU A 14 -4.802 0.432 6.647 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.395 -1.115 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.200 1.280 5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.147 0.413 4.502 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.587 2.279 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.982 1.065 1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.391 0.687 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.727 -0.479 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.888 1.689 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.758 0.186 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.677 1.763 4.666 1.00 0.00 H new ATOM 249 N ILE A 15 -2.018 -1.627 6.637 1.00 0.00 N ATOM 250 CA ILE A 15 -0.983 -2.567 7.034 1.00 0.00 C ATOM 251 C ILE A 15 -1.634 -3.874 7.488 1.00 0.00 C ATOM 252 O ILE A 15 -1.066 -4.950 7.308 1.00 0.00 O ATOM 253 CB ILE A 15 -0.065 -1.939 8.085 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.770 -0.809 7.480 1.00 0.00 C ATOM 255 CG2 ILE A 15 0.809 -3.002 8.754 1.00 0.00 C ATOM 256 CD1 ILE A 15 0.127 0.553 7.751 1.00 0.00 C ATOM 0 H ILE A 15 -2.137 -0.833 7.266 1.00 0.00 H new ATOM 0 HA ILE A 15 -0.341 -2.808 6.187 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.688 -1.497 8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.776 -0.830 7.900 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.870 -0.961 6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.452 -2.530 9.497 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.174 -3.741 9.242 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.425 -3.493 8.001 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.740 1.339 7.310 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.869 0.579 7.309 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.051 0.712 8.827 1.00 0.00 H new ATOM 268 N ASP A 16 -2.818 -3.739 8.068 1.00 0.00 N ATOM 269 CA ASP A 16 -3.552 -4.896 8.549 1.00 0.00 C ATOM 270 C ASP A 16 -3.946 -5.775 7.361 1.00 0.00 C ATOM 271 O ASP A 16 -3.490 -6.912 7.247 1.00 0.00 O ATOM 272 CB ASP A 16 -4.834 -4.474 9.271 1.00 0.00 C ATOM 273 CG ASP A 16 -5.244 -5.372 10.440 1.00 0.00 C ATOM 274 OD1 ASP A 16 -5.886 -6.408 10.162 1.00 0.00 O ATOM 275 OD2 ASP A 16 -4.905 -5.002 11.585 1.00 0.00 O ATOM 0 H ASP A 16 -3.287 -2.845 8.215 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.909 -5.438 9.242 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.706 -3.457 9.641 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.649 -4.450 8.548 1.00 0.00 H new ATOM 280 N ILE A 17 -4.789 -5.215 6.505 1.00 0.00 N ATOM 281 CA ILE A 17 -5.249 -5.934 5.329 1.00 0.00 C ATOM 282 C ILE A 17 -4.050 -6.567 4.622 1.00 0.00 C ATOM 283 O ILE A 17 -4.034 -7.773 4.378 1.00 0.00 O ATOM 284 CB ILE A 17 -6.079 -5.015 4.430 1.00 0.00 C ATOM 285 CG1 ILE A 17 -5.379 -3.669 4.227 1.00 0.00 C ATOM 286 CG2 ILE A 17 -7.497 -4.847 4.978 1.00 0.00 C ATOM 287 CD1 ILE A 17 -4.863 -3.530 2.794 1.00 0.00 C ATOM 0 H ILE A 17 -5.165 -4.272 6.603 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.915 -6.747 5.616 1.00 0.00 H new ATOM 0 HB ILE A 17 -6.167 -5.484 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.072 -2.858 4.448 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.548 -3.578 4.927 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.066 -4.189 4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.985 -5.820 5.028 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.452 -4.411 5.976 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -4.370 -2.565 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.152 -4.329 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.699 -3.597 2.098 1.00 0.00 H new ATOM 299 N VAL A 18 -3.074 -5.726 4.312 1.00 0.00 N ATOM 300 CA VAL A 18 -1.873 -6.189 3.638 1.00 0.00 C ATOM 301 C VAL A 18 -1.399 -7.491 4.286 1.00 0.00 C ATOM 302 O VAL A 18 -1.358 -8.533 3.634 1.00 0.00 O ATOM 303 CB VAL A 18 -0.808 -5.090 3.654 1.00 0.00 C ATOM 304 CG1 VAL A 18 0.523 -5.609 3.107 1.00 0.00 C ATOM 305 CG2 VAL A 18 -1.278 -3.859 2.875 1.00 0.00 C ATOM 0 H VAL A 18 -3.091 -4.727 4.515 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.082 -6.405 2.590 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.651 -4.791 4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.262 -4.809 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.869 -6.440 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.387 -5.949 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.503 -3.093 2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.477 -4.137 1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.190 -3.468 3.327 1.00 0.00 H new ATOM 315 N ASP A 19 -1.052 -7.388 5.560 1.00 0.00 N ATOM 316 CA ASP A 19 -0.582 -8.545 6.304 1.00 0.00 C ATOM 317 C ASP A 19 -1.653 -9.637 6.270 1.00 0.00 C ATOM 318 O ASP A 19 -1.338 -10.816 6.122 1.00 0.00 O ATOM 319 CB ASP A 19 -0.316 -8.188 7.767 1.00 0.00 C ATOM 320 CG ASP A 19 0.165 -9.350 8.639 1.00 0.00 C ATOM 321 OD1 ASP A 19 0.453 -10.416 8.054 1.00 0.00 O ATOM 322 OD2 ASP A 19 0.233 -9.145 9.870 1.00 0.00 O ATOM 0 H ASP A 19 -1.087 -6.521 6.097 1.00 0.00 H new ATOM 0 HA ASP A 19 0.344 -8.889 5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 19 0.430 -7.394 7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.232 -7.784 8.199 1.00 0.00 H new ATOM 327 N GLN A 20 -2.898 -9.204 6.411 1.00 0.00 N ATOM 328 CA GLN A 20 -4.018 -10.130 6.399 1.00 0.00 C ATOM 329 C GLN A 20 -3.989 -10.981 5.127 1.00 0.00 C ATOM 330 O GLN A 20 -4.206 -12.191 5.180 1.00 0.00 O ATOM 331 CB GLN A 20 -5.347 -9.385 6.530 1.00 0.00 C ATOM 332 CG GLN A 20 -6.321 -10.155 7.424 1.00 0.00 C ATOM 333 CD GLN A 20 -7.148 -9.198 8.286 1.00 0.00 C ATOM 334 OE1 GLN A 20 -7.503 -8.104 7.878 1.00 0.00 O ATOM 335 NE2 GLN A 20 -7.432 -9.669 9.496 1.00 0.00 N ATOM 0 H GLN A 20 -3.155 -8.225 6.534 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.925 -10.793 7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.172 -8.393 6.946 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.788 -9.244 5.543 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -6.985 -10.761 6.807 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.767 -10.841 8.065 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.103 -10.594 9.773 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -7.979 -9.106 10.147 1.00 0.00 H new ATOM 344 N LEU A 21 -3.719 -10.315 4.014 1.00 0.00 N ATOM 345 CA LEU A 21 -3.660 -10.995 2.731 1.00 0.00 C ATOM 346 C LEU A 21 -2.339 -11.761 2.626 1.00 0.00 C ATOM 347 O LEU A 21 -2.295 -12.856 2.066 1.00 0.00 O ATOM 348 CB LEU A 21 -3.889 -10.004 1.588 1.00 0.00 C ATOM 349 CG LEU A 21 -2.630 -9.466 0.905 1.00 0.00 C ATOM 350 CD1 LEU A 21 -2.440 -10.102 -0.474 1.00 0.00 C ATOM 351 CD2 LEU A 21 -2.656 -7.938 0.832 1.00 0.00 C ATOM 0 H LEU A 21 -3.539 -9.312 3.974 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.462 -11.729 2.651 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.510 -10.487 0.833 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.458 -9.159 1.975 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.768 -9.745 1.510 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.538 -9.702 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.344 -11.182 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.302 -9.875 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.750 -7.582 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.527 -7.616 0.262 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.709 -7.526 1.840 1.00 0.00 H new ATOM 363 N LYS A 22 -1.295 -11.155 3.172 1.00 0.00 N ATOM 364 CA LYS A 22 0.023 -11.766 3.147 1.00 0.00 C ATOM 365 C LYS A 22 -0.011 -13.075 3.939 1.00 0.00 C ATOM 366 O LYS A 22 0.636 -14.050 3.561 1.00 0.00 O ATOM 367 CB LYS A 22 1.082 -10.777 3.638 1.00 0.00 C ATOM 368 CG LYS A 22 2.347 -10.859 2.782 1.00 0.00 C ATOM 369 CD LYS A 22 3.472 -10.014 3.384 1.00 0.00 C ATOM 370 CE LYS A 22 3.929 -10.588 4.727 1.00 0.00 C ATOM 371 NZ LYS A 22 5.375 -10.905 4.689 1.00 0.00 N ATOM 0 H LYS A 22 -1.335 -10.247 3.635 1.00 0.00 H new ATOM 0 HA LYS A 22 0.306 -12.019 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.681 -9.764 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.328 -10.989 4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.670 -11.897 2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.129 -10.514 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.315 -9.979 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.129 -8.989 3.520 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.728 -9.871 5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.359 -11.488 4.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.669 -11.293 5.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.557 -11.606 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.915 -10.039 4.490 1.00 0.00 H new ATOM 385 N ASN A 23 -0.773 -13.054 5.023 1.00 0.00 N ATOM 386 CA ASN A 23 -0.899 -14.226 5.871 1.00 0.00 C ATOM 387 C ASN A 23 -1.576 -15.350 5.084 1.00 0.00 C ATOM 388 O ASN A 23 -1.573 -16.503 5.513 1.00 0.00 O ATOM 389 CB ASN A 23 -1.759 -13.926 7.101 1.00 0.00 C ATOM 390 CG ASN A 23 -1.083 -14.426 8.379 1.00 0.00 C ATOM 391 OD1 ASN A 23 0.046 -14.889 8.374 1.00 0.00 O ATOM 392 ND2 ASN A 23 -1.833 -14.306 9.470 1.00 0.00 N ATOM 0 H ASN A 23 -1.309 -12.243 5.333 1.00 0.00 H new ATOM 0 HA ASN A 23 0.101 -14.519 6.192 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.933 -12.853 7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.734 -14.401 6.992 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.471 -14.611 10.374 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.770 -13.909 9.403 1.00 0.00 H new ATOM 399 N TYR A 24 -2.140 -14.974 3.945 1.00 0.00 N ATOM 400 CA TYR A 24 -2.819 -15.936 3.094 1.00 0.00 C ATOM 401 C TYR A 24 -2.151 -16.020 1.720 1.00 0.00 C ATOM 402 O TYR A 24 -2.808 -16.317 0.723 1.00 0.00 O ATOM 403 CB TYR A 24 -4.247 -15.413 2.922 1.00 0.00 C ATOM 404 CG TYR A 24 -5.200 -15.825 4.046 1.00 0.00 C ATOM 405 CD1 TYR A 24 -5.151 -17.106 4.557 1.00 0.00 C ATOM 406 CD2 TYR A 24 -6.108 -14.916 4.548 1.00 0.00 C ATOM 407 CE1 TYR A 24 -6.047 -17.494 5.615 1.00 0.00 C ATOM 408 CE2 TYR A 24 -7.005 -15.304 5.606 1.00 0.00 C ATOM 409 CZ TYR A 24 -6.931 -16.574 6.087 1.00 0.00 C ATOM 410 OH TYR A 24 -7.778 -16.940 7.086 1.00 0.00 O ATOM 0 H TYR A 24 -2.140 -14.017 3.592 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.788 -16.931 3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.220 -14.325 2.863 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.643 -15.774 1.973 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.440 -17.818 4.163 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.146 -13.914 4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -6.018 -18.493 6.025 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -7.720 -14.602 6.008 1.00 0.00 H new ATOM 0 HH TYR A 24 -8.351 -16.181 7.323 1.00 0.00 H new ATOM 420 N VAL A 25 -0.853 -15.753 1.711 1.00 0.00 N ATOM 421 CA VAL A 25 -0.089 -15.794 0.476 1.00 0.00 C ATOM 422 C VAL A 25 -0.426 -17.078 -0.284 1.00 0.00 C ATOM 423 O VAL A 25 -0.315 -17.127 -1.509 1.00 0.00 O ATOM 424 CB VAL A 25 1.404 -15.653 0.779 1.00 0.00 C ATOM 425 CG1 VAL A 25 1.986 -16.972 1.291 1.00 0.00 C ATOM 426 CG2 VAL A 25 2.169 -15.156 -0.449 1.00 0.00 C ATOM 0 H VAL A 25 -0.311 -15.507 2.540 1.00 0.00 H new ATOM 0 HA VAL A 25 -0.357 -14.956 -0.167 1.00 0.00 H new ATOM 0 HB VAL A 25 1.517 -14.908 1.567 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.048 -16.845 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.470 -17.267 2.205 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.855 -17.746 0.535 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.228 -15.065 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.044 -15.866 -1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.781 -14.183 -0.750 1.00 0.00 H new ATOM 436 N ASN A 26 -0.831 -18.087 0.473 1.00 0.00 N ATOM 437 CA ASN A 26 -1.184 -19.369 -0.114 1.00 0.00 C ATOM 438 C ASN A 26 -2.255 -19.155 -1.187 1.00 0.00 C ATOM 439 O ASN A 26 -2.439 -20.000 -2.061 1.00 0.00 O ATOM 440 CB ASN A 26 -1.755 -20.319 0.940 1.00 0.00 C ATOM 441 CG ASN A 26 -1.601 -21.778 0.504 1.00 0.00 C ATOM 442 OD1 ASN A 26 -2.499 -22.382 -0.060 1.00 0.00 O ATOM 443 ND2 ASN A 26 -0.417 -22.308 0.795 1.00 0.00 N ATOM 0 H ASN A 26 -0.923 -18.043 1.488 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.281 -19.805 -0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.244 -20.164 1.890 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.809 -20.094 1.105 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -0.216 -23.276 0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.291 -21.746 1.269 1.00 0.00 H new ATOM 450 N ASP A 27 -2.933 -18.021 -1.083 1.00 0.00 N ATOM 451 CA ASP A 27 -3.980 -17.686 -2.033 1.00 0.00 C ATOM 452 C ASP A 27 -3.569 -16.440 -2.820 1.00 0.00 C ATOM 453 O ASP A 27 -4.387 -15.553 -3.056 1.00 0.00 O ATOM 454 CB ASP A 27 -5.296 -17.380 -1.317 1.00 0.00 C ATOM 455 CG ASP A 27 -6.135 -18.607 -0.952 1.00 0.00 C ATOM 456 OD1 ASP A 27 -5.721 -19.317 -0.010 1.00 0.00 O ATOM 457 OD2 ASP A 27 -7.170 -18.807 -1.623 1.00 0.00 O ATOM 0 H ASP A 27 -2.778 -17.323 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.120 -18.540 -2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.075 -16.825 -0.405 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.894 -16.726 -1.952 1.00 0.00 H new ATOM 462 N LEU A 28 -2.301 -16.414 -3.206 1.00 0.00 N ATOM 463 CA LEU A 28 -1.772 -15.292 -3.961 1.00 0.00 C ATOM 464 C LEU A 28 -1.212 -15.797 -5.292 1.00 0.00 C ATOM 465 O LEU A 28 -0.362 -16.686 -5.315 1.00 0.00 O ATOM 466 CB LEU A 28 -0.756 -14.513 -3.123 1.00 0.00 C ATOM 467 CG LEU A 28 -1.339 -13.527 -2.109 1.00 0.00 C ATOM 468 CD1 LEU A 28 -0.241 -12.651 -1.502 1.00 0.00 C ATOM 469 CD2 LEU A 28 -2.457 -12.692 -2.736 1.00 0.00 C ATOM 0 H LEU A 28 -1.625 -17.152 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.566 -14.584 -4.197 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.132 -15.228 -2.587 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.102 -13.963 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.783 -14.098 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.682 -11.959 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.489 -13.282 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.253 -12.087 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.854 -11.999 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.061 -12.130 -3.582 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.254 -13.351 -3.080 1.00 0.00 H new ATOM 481 N VAL A 29 -1.711 -15.209 -6.369 1.00 0.00 N ATOM 482 CA VAL A 29 -1.272 -15.588 -7.701 1.00 0.00 C ATOM 483 C VAL A 29 -0.114 -14.684 -8.128 1.00 0.00 C ATOM 484 O VAL A 29 -0.223 -13.460 -8.071 1.00 0.00 O ATOM 485 CB VAL A 29 -2.452 -15.547 -8.674 1.00 0.00 C ATOM 486 CG1 VAL A 29 -2.541 -14.188 -9.371 1.00 0.00 C ATOM 487 CG2 VAL A 29 -2.361 -16.683 -9.695 1.00 0.00 C ATOM 0 H VAL A 29 -2.416 -14.472 -6.346 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.903 -16.613 -7.703 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.366 -15.688 -8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.388 -14.186 -10.057 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -2.676 -13.405 -8.625 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.622 -14.004 -9.928 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.212 -16.631 -10.374 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.436 -16.588 -10.264 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.370 -17.641 -9.175 1.00 0.00 H new ATOM 497 N PRO A 30 0.998 -15.339 -8.559 1.00 0.00 N ATOM 498 CA PRO A 30 2.175 -14.607 -8.996 1.00 0.00 C ATOM 499 C PRO A 30 1.957 -13.995 -10.380 1.00 0.00 C ATOM 500 O PRO A 30 2.011 -14.696 -11.389 1.00 0.00 O ATOM 501 CB PRO A 30 3.304 -15.625 -8.967 1.00 0.00 C ATOM 502 CG PRO A 30 2.634 -16.990 -8.965 1.00 0.00 C ATOM 503 CD PRO A 30 1.163 -16.787 -8.641 1.00 0.00 C ATOM 0 HA PRO A 30 2.406 -13.758 -8.353 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.955 -15.511 -9.834 1.00 0.00 H new ATOM 0 HB3 PRO A 30 3.926 -15.494 -8.081 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.748 -17.473 -9.936 1.00 0.00 H new ATOM 0 HG3 PRO A 30 3.101 -17.643 -8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.525 -17.215 -9.414 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.894 -17.270 -7.702 1.00 0.00 H new ATOM 511 N GLU A 31 1.716 -12.692 -10.385 1.00 0.00 N ATOM 512 CA GLU A 31 1.490 -11.977 -11.629 1.00 0.00 C ATOM 513 C GLU A 31 2.379 -10.733 -11.695 1.00 0.00 C ATOM 514 O GLU A 31 2.901 -10.283 -10.676 1.00 0.00 O ATOM 515 CB GLU A 31 0.015 -11.605 -11.788 1.00 0.00 C ATOM 516 CG GLU A 31 -0.471 -11.888 -13.211 1.00 0.00 C ATOM 517 CD GLU A 31 -0.263 -13.358 -13.580 1.00 0.00 C ATOM 518 OE1 GLU A 31 -0.871 -14.207 -12.893 1.00 0.00 O ATOM 519 OE2 GLU A 31 0.500 -13.600 -14.540 1.00 0.00 O ATOM 0 H GLU A 31 1.672 -12.113 -9.547 1.00 0.00 H new ATOM 0 HA GLU A 31 1.756 -12.635 -12.457 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.585 -12.171 -11.076 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.125 -10.549 -11.555 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.528 -11.634 -13.295 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.066 -11.253 -13.915 1.00 0.00 H new ATOM 526 N PHE A 32 2.523 -10.211 -12.905 1.00 0.00 N ATOM 527 CA PHE A 32 3.339 -9.028 -13.117 1.00 0.00 C ATOM 528 C PHE A 32 2.737 -7.812 -12.410 1.00 0.00 C ATOM 529 O PHE A 32 1.884 -7.124 -12.969 1.00 0.00 O ATOM 530 CB PHE A 32 3.364 -8.766 -14.624 1.00 0.00 C ATOM 531 CG PHE A 32 4.234 -9.747 -15.413 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.588 -9.615 -15.403 1.00 0.00 C ATOM 533 CD2 PHE A 32 3.654 -10.751 -16.123 1.00 0.00 C ATOM 534 CE1 PHE A 32 6.395 -10.525 -16.134 1.00 0.00 C ATOM 535 CE2 PHE A 32 4.462 -11.662 -16.854 1.00 0.00 C ATOM 536 CZ PHE A 32 5.816 -11.529 -16.845 1.00 0.00 C ATOM 0 H PHE A 32 2.088 -10.586 -13.748 1.00 0.00 H new ATOM 0 HA PHE A 32 4.339 -9.190 -12.715 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.345 -8.812 -15.007 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.726 -7.753 -14.800 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.049 -8.818 -14.839 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.579 -10.856 -16.131 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.470 -10.420 -16.126 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.002 -12.460 -17.417 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.431 -12.220 -17.402 1.00 0.00 H new ATOM 546 N LEU A 33 3.205 -7.585 -11.191 1.00 0.00 N ATOM 547 CA LEU A 33 2.723 -6.465 -10.402 1.00 0.00 C ATOM 548 C LEU A 33 3.835 -5.422 -10.271 1.00 0.00 C ATOM 549 O LEU A 33 4.957 -5.751 -9.889 1.00 0.00 O ATOM 550 CB LEU A 33 2.176 -6.951 -9.058 1.00 0.00 C ATOM 551 CG LEU A 33 0.679 -6.735 -8.825 1.00 0.00 C ATOM 552 CD1 LEU A 33 -0.119 -7.002 -10.103 1.00 0.00 C ATOM 553 CD2 LEU A 33 0.180 -7.579 -7.651 1.00 0.00 C ATOM 0 H LEU A 33 3.913 -8.158 -10.731 1.00 0.00 H new ATOM 0 HA LEU A 33 1.886 -5.979 -10.904 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.388 -8.016 -8.966 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.724 -6.447 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 33 0.522 -5.689 -8.560 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.180 -6.841 -9.910 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.214 -6.323 -10.888 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.040 -8.032 -10.423 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.887 -7.407 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.352 -8.634 -7.863 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.719 -7.298 -6.746 1.00 0.00 H new ATOM 565 N PRO A 34 3.477 -4.154 -10.606 1.00 0.00 N ATOM 566 CA PRO A 34 4.432 -3.062 -10.530 1.00 0.00 C ATOM 567 C PRO A 34 4.676 -2.647 -9.077 1.00 0.00 C ATOM 568 O PRO A 34 3.730 -2.432 -8.322 1.00 0.00 O ATOM 569 CB PRO A 34 3.826 -1.950 -11.371 1.00 0.00 C ATOM 570 CG PRO A 34 2.349 -2.286 -11.504 1.00 0.00 C ATOM 571 CD PRO A 34 2.157 -3.728 -11.063 1.00 0.00 C ATOM 0 HA PRO A 34 5.417 -3.338 -10.907 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.964 -0.980 -10.894 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.304 -1.895 -12.349 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.748 -1.616 -10.889 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.019 -2.155 -12.535 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.418 -3.803 -10.265 1.00 0.00 H new ATOM 0 HD3 PRO A 34 1.803 -4.350 -11.885 1.00 0.00 H new ATOM 579 N ALA A 35 5.951 -2.546 -8.731 1.00 0.00 N ATOM 580 CA ALA A 35 6.332 -2.161 -7.383 1.00 0.00 C ATOM 581 C ALA A 35 7.457 -1.126 -7.451 1.00 0.00 C ATOM 582 O ALA A 35 8.585 -1.453 -7.816 1.00 0.00 O ATOM 583 CB ALA A 35 6.732 -3.406 -6.589 1.00 0.00 C ATOM 0 H ALA A 35 6.733 -2.724 -9.361 1.00 0.00 H new ATOM 0 HA ALA A 35 5.491 -1.700 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.018 -3.116 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.889 -4.096 -6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 35 7.575 -3.894 -7.078 1.00 0.00 H new ATOM 589 N PRO A 36 7.101 0.135 -7.084 1.00 0.00 N ATOM 590 CA PRO A 36 8.068 1.219 -7.101 1.00 0.00 C ATOM 591 C PRO A 36 9.034 1.111 -5.919 1.00 0.00 C ATOM 592 O PRO A 36 8.662 0.627 -4.851 1.00 0.00 O ATOM 593 CB PRO A 36 7.234 2.490 -7.071 1.00 0.00 C ATOM 594 CG PRO A 36 5.859 2.075 -6.573 1.00 0.00 C ATOM 595 CD PRO A 36 5.775 0.559 -6.646 1.00 0.00 C ATOM 0 HA PRO A 36 8.708 1.198 -7.983 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.680 3.234 -6.411 1.00 0.00 H new ATOM 0 HB3 PRO A 36 7.171 2.939 -8.062 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.704 2.417 -5.550 1.00 0.00 H new ATOM 0 HG3 PRO A 36 5.079 2.530 -7.183 1.00 0.00 H new ATOM 0 HD2 PRO A 36 5.522 0.129 -5.677 1.00 0.00 H new ATOM 0 HD3 PRO A 36 5.005 0.238 -7.348 1.00 0.00 H new ATOM 603 N GLU A 37 10.255 1.569 -6.150 1.00 0.00 N ATOM 604 CA GLU A 37 11.277 1.530 -5.118 1.00 0.00 C ATOM 605 C GLU A 37 12.168 2.770 -5.206 1.00 0.00 C ATOM 606 O GLU A 37 12.551 3.188 -6.298 1.00 0.00 O ATOM 607 CB GLU A 37 12.108 0.249 -5.218 1.00 0.00 C ATOM 608 CG GLU A 37 12.519 -0.247 -3.831 1.00 0.00 C ATOM 609 CD GLU A 37 14.038 -0.183 -3.653 1.00 0.00 C ATOM 610 OE1 GLU A 37 14.703 -1.138 -4.109 1.00 0.00 O ATOM 611 OE2 GLU A 37 14.499 0.819 -3.066 1.00 0.00 O ATOM 0 H GLU A 37 10.560 1.969 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 37 10.784 1.529 -4.146 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.532 -0.523 -5.729 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.997 0.434 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.034 0.359 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.176 -1.272 -3.691 1.00 0.00 H new ATOM 618 N ASP A 38 12.473 3.324 -4.042 1.00 0.00 N ATOM 619 CA ASP A 38 13.312 4.509 -3.974 1.00 0.00 C ATOM 620 C ASP A 38 12.437 5.757 -4.104 1.00 0.00 C ATOM 621 O ASP A 38 12.948 6.874 -4.168 1.00 0.00 O ATOM 622 CB ASP A 38 14.333 4.527 -5.113 1.00 0.00 C ATOM 623 CG ASP A 38 15.630 5.279 -4.808 1.00 0.00 C ATOM 624 OD1 ASP A 38 16.254 4.941 -3.778 1.00 0.00 O ATOM 625 OD2 ASP A 38 15.968 6.176 -5.610 1.00 0.00 O ATOM 0 H ASP A 38 12.154 2.975 -3.138 1.00 0.00 H new ATOM 0 HA ASP A 38 13.837 4.496 -3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.580 3.498 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.868 4.976 -5.990 1.00 0.00 H new ATOM 630 N VAL A 39 11.133 5.525 -4.139 1.00 0.00 N ATOM 631 CA VAL A 39 10.182 6.617 -4.260 1.00 0.00 C ATOM 632 C VAL A 39 10.658 7.798 -3.412 1.00 0.00 C ATOM 633 O VAL A 39 10.987 7.632 -2.238 1.00 0.00 O ATOM 634 CB VAL A 39 8.781 6.135 -3.881 1.00 0.00 C ATOM 635 CG1 VAL A 39 8.036 5.596 -5.105 1.00 0.00 C ATOM 636 CG2 VAL A 39 8.844 5.083 -2.771 1.00 0.00 C ATOM 0 H VAL A 39 10.713 4.597 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 39 10.124 6.961 -5.293 1.00 0.00 H new ATOM 0 HB VAL A 39 8.225 6.991 -3.500 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.043 5.260 -4.808 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.944 6.385 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 39 8.590 4.759 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.834 4.757 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.427 4.228 -3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.316 5.514 -1.888 1.00 0.00 H new ATOM 646 N GLU A 40 10.679 8.965 -4.039 1.00 0.00 N ATOM 647 CA GLU A 40 11.108 10.174 -3.356 1.00 0.00 C ATOM 648 C GLU A 40 10.297 10.377 -2.075 1.00 0.00 C ATOM 649 O GLU A 40 9.194 9.849 -1.945 1.00 0.00 O ATOM 650 CB GLU A 40 10.996 11.392 -4.276 1.00 0.00 C ATOM 651 CG GLU A 40 11.529 12.650 -3.587 1.00 0.00 C ATOM 652 CD GLU A 40 11.973 13.692 -4.615 1.00 0.00 C ATOM 653 OE1 GLU A 40 11.112 14.085 -5.432 1.00 0.00 O ATOM 654 OE2 GLU A 40 13.162 14.073 -4.561 1.00 0.00 O ATOM 0 H GLU A 40 10.406 9.099 -5.013 1.00 0.00 H new ATOM 0 HA GLU A 40 12.157 10.061 -3.083 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.555 11.211 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.955 11.543 -4.561 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.756 13.073 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.369 12.388 -2.943 1.00 0.00 H new ATOM 661 N THR A 41 10.875 11.144 -1.162 1.00 0.00 N ATOM 662 CA THR A 41 10.219 11.424 0.104 1.00 0.00 C ATOM 663 C THR A 41 8.740 11.746 -0.121 1.00 0.00 C ATOM 664 O THR A 41 7.878 11.267 0.614 1.00 0.00 O ATOM 665 CB THR A 41 10.988 12.551 0.796 1.00 0.00 C ATOM 666 OG1 THR A 41 11.854 11.874 1.703 1.00 0.00 O ATOM 667 CG2 THR A 41 10.093 13.401 1.699 1.00 0.00 C ATOM 0 H THR A 41 11.790 11.580 -1.274 1.00 0.00 H new ATOM 0 HA THR A 41 10.233 10.552 0.758 1.00 0.00 H new ATOM 0 HB THR A 41 11.454 13.188 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.392 12.530 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 41 10.688 14.186 2.166 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.299 13.852 1.104 1.00 0.00 H new ATOM 0 HG23 THR A 41 9.653 12.771 2.472 1.00 0.00 H new ATOM 675 N ASN A 42 8.492 12.555 -1.141 1.00 0.00 N ATOM 676 CA ASN A 42 7.133 12.946 -1.472 1.00 0.00 C ATOM 677 C ASN A 42 6.652 12.136 -2.677 1.00 0.00 C ATOM 678 O ASN A 42 5.964 12.664 -3.550 1.00 0.00 O ATOM 679 CB ASN A 42 7.061 14.430 -1.840 1.00 0.00 C ATOM 680 CG ASN A 42 7.203 15.311 -0.597 1.00 0.00 C ATOM 681 OD1 ASN A 42 6.339 15.359 0.263 1.00 0.00 O ATOM 682 ND2 ASN A 42 8.338 16.003 -0.552 1.00 0.00 N ATOM 0 H ASN A 42 9.210 12.950 -1.749 1.00 0.00 H new ATOM 0 HA ASN A 42 6.507 12.760 -0.599 1.00 0.00 H new ATOM 0 HB2 ASN A 42 7.850 14.670 -2.552 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.112 14.640 -2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.528 16.621 0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 42 9.019 15.916 -1.307 1.00 0.00 H new ATOM 689 N CYS A 43 7.034 10.867 -2.687 1.00 0.00 N ATOM 690 CA CYS A 43 6.651 9.979 -3.772 1.00 0.00 C ATOM 691 C CYS A 43 5.863 8.809 -3.179 1.00 0.00 C ATOM 692 O CYS A 43 4.892 8.345 -3.774 1.00 0.00 O ATOM 693 CB CYS A 43 7.867 9.502 -4.569 1.00 0.00 C ATOM 694 SG CYS A 43 7.468 8.594 -6.106 1.00 0.00 S ATOM 0 H CYS A 43 7.604 10.433 -1.961 1.00 0.00 H new ATOM 0 HA CYS A 43 6.023 10.517 -4.481 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.479 10.367 -4.823 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.473 8.859 -3.931 1.00 0.00 H new ATOM 0 HG CYS A 43 8.569 8.240 -6.699 1.00 0.00 H new ATOM 699 N GLU A 44 6.310 8.367 -2.013 1.00 0.00 N ATOM 700 CA GLU A 44 5.659 7.260 -1.333 1.00 0.00 C ATOM 701 C GLU A 44 4.142 7.347 -1.510 1.00 0.00 C ATOM 702 O GLU A 44 3.456 6.326 -1.533 1.00 0.00 O ATOM 703 CB GLU A 44 6.037 7.229 0.150 1.00 0.00 C ATOM 704 CG GLU A 44 7.512 6.866 0.332 1.00 0.00 C ATOM 705 CD GLU A 44 8.082 7.507 1.599 1.00 0.00 C ATOM 706 OE1 GLU A 44 8.531 8.668 1.494 1.00 0.00 O ATOM 707 OE2 GLU A 44 8.055 6.821 2.643 1.00 0.00 O ATOM 0 H GLU A 44 7.115 8.755 -1.522 1.00 0.00 H new ATOM 0 HA GLU A 44 6.005 6.329 -1.782 1.00 0.00 H new ATOM 0 HB2 GLU A 44 5.840 8.202 0.600 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.413 6.504 0.673 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.619 5.783 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.082 7.198 -0.536 1.00 0.00 H new ATOM 714 N TRP A 45 3.662 8.576 -1.631 1.00 0.00 N ATOM 715 CA TRP A 45 2.238 8.809 -1.806 1.00 0.00 C ATOM 716 C TRP A 45 1.885 8.505 -3.263 1.00 0.00 C ATOM 717 O TRP A 45 1.036 7.657 -3.536 1.00 0.00 O ATOM 718 CB TRP A 45 1.860 10.230 -1.383 1.00 0.00 C ATOM 719 CG TRP A 45 1.821 10.439 0.132 1.00 0.00 C ATOM 720 CD1 TRP A 45 2.728 11.053 0.904 1.00 0.00 C ATOM 721 CD2 TRP A 45 0.780 10.005 1.033 1.00 0.00 C ATOM 722 NE1 TRP A 45 2.349 11.048 2.231 1.00 0.00 N ATOM 723 CE2 TRP A 45 1.127 10.390 2.312 1.00 0.00 C ATOM 724 CE3 TRP A 45 -0.415 9.311 0.776 1.00 0.00 C ATOM 725 CZ2 TRP A 45 0.334 10.125 3.435 1.00 0.00 C ATOM 726 CZ3 TRP A 45 -1.197 9.054 1.908 1.00 0.00 C ATOM 727 CH2 TRP A 45 -0.862 9.435 3.202 1.00 0.00 C ATOM 0 H TRP A 45 4.233 9.421 -1.611 1.00 0.00 H new ATOM 0 HA TRP A 45 1.657 8.149 -1.162 1.00 0.00 H new ATOM 0 HB2 TRP A 45 2.574 10.929 -1.818 1.00 0.00 H new ATOM 0 HB3 TRP A 45 0.882 10.474 -1.798 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.641 11.496 0.534 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.870 11.453 3.009 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -0.707 9.001 -0.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.629 10.436 4.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.126 8.522 1.766 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.521 9.200 4.024 1.00 0.00 H new ATOM 738 N SER A 46 2.553 9.214 -4.161 1.00 0.00 N ATOM 739 CA SER A 46 2.320 9.031 -5.584 1.00 0.00 C ATOM 740 C SER A 46 2.491 7.556 -5.956 1.00 0.00 C ATOM 741 O SER A 46 2.011 7.116 -6.999 1.00 0.00 O ATOM 742 CB SER A 46 3.265 9.901 -6.414 1.00 0.00 C ATOM 743 OG SER A 46 2.668 11.143 -6.776 1.00 0.00 O ATOM 0 H SER A 46 3.256 9.916 -3.931 1.00 0.00 H new ATOM 0 HA SER A 46 1.298 9.340 -5.806 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.177 10.089 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.556 9.362 -7.316 1.00 0.00 H new ATOM 0 HG SER A 46 3.304 11.670 -7.304 1.00 0.00 H new ATOM 749 N ALA A 47 3.177 6.834 -5.083 1.00 0.00 N ATOM 750 CA ALA A 47 3.418 5.419 -5.307 1.00 0.00 C ATOM 751 C ALA A 47 2.186 4.622 -4.873 1.00 0.00 C ATOM 752 O ALA A 47 1.958 3.513 -5.355 1.00 0.00 O ATOM 753 CB ALA A 47 4.682 4.991 -4.559 1.00 0.00 C ATOM 0 H ALA A 47 3.574 7.203 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 47 3.583 5.221 -6.366 1.00 0.00 H new ATOM 0 HB1 ALA A 47 4.862 3.929 -4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.533 5.566 -4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 47 4.552 5.172 -3.492 1.00 0.00 H new ATOM 759 N PHE A 48 1.424 5.217 -3.968 1.00 0.00 N ATOM 760 CA PHE A 48 0.221 4.577 -3.464 1.00 0.00 C ATOM 761 C PHE A 48 -0.725 4.209 -4.608 1.00 0.00 C ATOM 762 O PHE A 48 -1.124 3.053 -4.743 1.00 0.00 O ATOM 763 CB PHE A 48 -0.473 5.586 -2.548 1.00 0.00 C ATOM 764 CG PHE A 48 -1.367 4.948 -1.482 1.00 0.00 C ATOM 765 CD1 PHE A 48 -2.110 3.851 -1.786 1.00 0.00 C ATOM 766 CD2 PHE A 48 -1.417 5.478 -0.230 1.00 0.00 C ATOM 767 CE1 PHE A 48 -2.939 3.258 -0.797 1.00 0.00 C ATOM 768 CE2 PHE A 48 -2.246 4.886 0.759 1.00 0.00 C ATOM 769 CZ PHE A 48 -2.989 3.788 0.455 1.00 0.00 C ATOM 0 H PHE A 48 1.616 6.136 -3.570 1.00 0.00 H new ATOM 0 HA PHE A 48 0.482 3.660 -2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.285 6.195 -2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.076 6.259 -3.157 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.070 3.430 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.826 6.349 0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.530 2.387 -1.039 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -2.287 5.307 1.753 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.619 3.337 1.208 1.00 0.00 H new ATOM 779 N SER A 49 -1.058 5.215 -5.405 1.00 0.00 N ATOM 780 CA SER A 49 -1.950 5.012 -6.533 1.00 0.00 C ATOM 781 C SER A 49 -1.401 3.911 -7.443 1.00 0.00 C ATOM 782 O SER A 49 -2.147 3.307 -8.212 1.00 0.00 O ATOM 783 CB SER A 49 -2.141 6.308 -7.324 1.00 0.00 C ATOM 784 OG SER A 49 -0.960 6.682 -8.029 1.00 0.00 O ATOM 0 H SER A 49 -0.726 6.173 -5.291 1.00 0.00 H new ATOM 0 HA SER A 49 -2.923 4.705 -6.149 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.961 6.184 -8.031 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.426 7.110 -6.643 1.00 0.00 H new ATOM 0 HG SER A 49 -0.200 6.697 -7.410 1.00 0.00 H new ATOM 790 N CYS A 50 -0.101 3.683 -7.325 1.00 0.00 N ATOM 791 CA CYS A 50 0.556 2.666 -8.127 1.00 0.00 C ATOM 792 C CYS A 50 0.273 1.301 -7.497 1.00 0.00 C ATOM 793 O CYS A 50 -0.179 0.381 -8.177 1.00 0.00 O ATOM 794 CB CYS A 50 2.057 2.933 -8.260 1.00 0.00 C ATOM 795 SG CYS A 50 2.493 4.647 -8.728 1.00 0.00 S ATOM 0 H CYS A 50 0.515 4.186 -6.686 1.00 0.00 H new ATOM 0 HA CYS A 50 0.159 2.686 -9.142 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.539 2.696 -7.312 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.468 2.252 -9.005 1.00 0.00 H new ATOM 0 HG CYS A 50 2.076 5.467 -7.809 1.00 0.00 H new ATOM 800 N PHE A 51 0.550 1.212 -6.205 1.00 0.00 N ATOM 801 CA PHE A 51 0.331 -0.026 -5.475 1.00 0.00 C ATOM 802 C PHE A 51 -1.137 -0.449 -5.543 1.00 0.00 C ATOM 803 O PHE A 51 -1.444 -1.585 -5.901 1.00 0.00 O ATOM 804 CB PHE A 51 0.705 0.243 -4.016 1.00 0.00 C ATOM 805 CG PHE A 51 2.172 -0.045 -3.687 1.00 0.00 C ATOM 806 CD1 PHE A 51 2.557 -1.303 -3.341 1.00 0.00 C ATOM 807 CD2 PHE A 51 3.090 0.957 -3.740 1.00 0.00 C ATOM 808 CE1 PHE A 51 3.917 -1.570 -3.036 1.00 0.00 C ATOM 809 CE2 PHE A 51 4.451 0.690 -3.434 1.00 0.00 C ATOM 810 CZ PHE A 51 4.836 -0.568 -3.089 1.00 0.00 C ATOM 0 H PHE A 51 0.924 1.977 -5.644 1.00 0.00 H new ATOM 0 HA PHE A 51 0.932 -0.825 -5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 51 0.489 1.285 -3.782 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.072 -0.366 -3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.828 -2.098 -3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.784 1.956 -4.015 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.223 -2.569 -2.762 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.180 1.486 -3.475 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.871 -0.772 -2.857 1.00 0.00 H new ATOM 820 N GLN A 52 -2.007 0.487 -5.193 1.00 0.00 N ATOM 821 CA GLN A 52 -3.436 0.225 -5.210 1.00 0.00 C ATOM 822 C GLN A 52 -3.900 -0.099 -6.631 1.00 0.00 C ATOM 823 O GLN A 52 -5.011 -0.587 -6.829 1.00 0.00 O ATOM 824 CB GLN A 52 -4.217 1.408 -4.634 1.00 0.00 C ATOM 825 CG GLN A 52 -4.153 2.616 -5.572 1.00 0.00 C ATOM 826 CD GLN A 52 -5.235 2.530 -6.651 1.00 0.00 C ATOM 827 OE1 GLN A 52 -6.128 1.700 -6.606 1.00 0.00 O ATOM 828 NE2 GLN A 52 -5.105 3.431 -7.620 1.00 0.00 N ATOM 0 H GLN A 52 -1.750 1.428 -4.896 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.634 -0.641 -4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.256 1.120 -4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.810 1.678 -3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.279 3.534 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.170 2.666 -6.041 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.333 4.098 -7.596 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.777 3.456 -8.387 1.00 0.00 H new ATOM 837 N LYS A 53 -3.025 0.186 -7.584 1.00 0.00 N ATOM 838 CA LYS A 53 -3.331 -0.069 -8.982 1.00 0.00 C ATOM 839 C LYS A 53 -2.822 -1.460 -9.365 1.00 0.00 C ATOM 840 O LYS A 53 -3.424 -2.138 -10.195 1.00 0.00 O ATOM 841 CB LYS A 53 -2.779 1.053 -9.864 1.00 0.00 C ATOM 842 CG LYS A 53 -2.724 0.620 -11.331 1.00 0.00 C ATOM 843 CD LYS A 53 -1.972 1.648 -12.178 1.00 0.00 C ATOM 844 CE LYS A 53 -2.004 1.266 -13.659 1.00 0.00 C ATOM 845 NZ LYS A 53 -1.141 0.090 -13.910 1.00 0.00 N ATOM 0 H LYS A 53 -2.104 0.591 -7.416 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.409 -0.068 -9.143 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.406 1.939 -9.766 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.781 1.329 -9.525 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.233 -0.350 -11.409 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.736 0.497 -11.716 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.419 2.633 -12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.938 1.718 -11.839 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.028 1.044 -13.961 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.668 2.107 -14.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.107 -0.104 -14.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.180 0.284 -13.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.529 -0.737 -13.413 1.00 0.00 H new ATOM 859 N ALA A 54 -1.717 -1.843 -8.742 1.00 0.00 N ATOM 860 CA ALA A 54 -1.120 -3.141 -9.008 1.00 0.00 C ATOM 861 C ALA A 54 -2.226 -4.192 -9.127 1.00 0.00 C ATOM 862 O ALA A 54 -2.162 -5.071 -9.985 1.00 0.00 O ATOM 863 CB ALA A 54 -0.115 -3.476 -7.904 1.00 0.00 C ATOM 0 H ALA A 54 -1.220 -1.277 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.576 -3.127 -9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.333 -4.450 -8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.665 -2.715 -7.879 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.627 -3.502 -6.942 1.00 0.00 H new ATOM 869 N GLN A 55 -3.215 -4.065 -8.254 1.00 0.00 N ATOM 870 CA GLN A 55 -4.333 -4.993 -8.251 1.00 0.00 C ATOM 871 C GLN A 55 -3.875 -6.375 -7.781 1.00 0.00 C ATOM 872 O GLN A 55 -3.256 -7.119 -8.540 1.00 0.00 O ATOM 873 CB GLN A 55 -4.985 -5.071 -9.633 1.00 0.00 C ATOM 874 CG GLN A 55 -6.277 -5.889 -9.584 1.00 0.00 C ATOM 875 CD GLN A 55 -6.834 -6.118 -10.991 1.00 0.00 C ATOM 876 OE1 GLN A 55 -6.368 -5.559 -11.970 1.00 0.00 O ATOM 877 NE2 GLN A 55 -7.855 -6.969 -11.037 1.00 0.00 N ATOM 0 H GLN A 55 -3.265 -3.334 -7.544 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.084 -4.624 -7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.200 -4.066 -9.995 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.291 -5.523 -10.342 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.086 -6.849 -9.104 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.018 -5.370 -8.976 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.197 -7.403 -10.179 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.296 -7.188 -11.930 1.00 0.00 H new ATOM 886 N LEU A 56 -4.197 -6.677 -6.532 1.00 0.00 N ATOM 887 CA LEU A 56 -3.827 -7.957 -5.952 1.00 0.00 C ATOM 888 C LEU A 56 -4.795 -9.035 -6.445 1.00 0.00 C ATOM 889 O LEU A 56 -6.006 -8.820 -6.473 1.00 0.00 O ATOM 890 CB LEU A 56 -3.747 -7.852 -4.428 1.00 0.00 C ATOM 891 CG LEU A 56 -3.541 -9.168 -3.675 1.00 0.00 C ATOM 892 CD1 LEU A 56 -4.855 -9.942 -3.553 1.00 0.00 C ATOM 893 CD2 LEU A 56 -2.440 -10.007 -4.327 1.00 0.00 C ATOM 0 H LEU A 56 -4.710 -6.057 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.830 -8.250 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.929 -7.178 -4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.666 -7.390 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.210 -8.934 -2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.680 -10.873 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.583 -9.339 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.239 -10.166 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.314 -10.937 -3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.717 -10.234 -5.357 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.504 -9.449 -4.317 1.00 0.00 H new ATOM 905 N LYS A 57 -4.225 -10.170 -6.820 1.00 0.00 N ATOM 906 CA LYS A 57 -5.023 -11.282 -7.310 1.00 0.00 C ATOM 907 C LYS A 57 -4.612 -12.561 -6.577 1.00 0.00 C ATOM 908 O LYS A 57 -3.424 -12.822 -6.395 1.00 0.00 O ATOM 909 CB LYS A 57 -4.919 -11.386 -8.833 1.00 0.00 C ATOM 910 CG LYS A 57 -6.268 -11.763 -9.449 1.00 0.00 C ATOM 911 CD LYS A 57 -7.132 -10.522 -9.680 1.00 0.00 C ATOM 912 CE LYS A 57 -8.219 -10.797 -10.721 1.00 0.00 C ATOM 913 NZ LYS A 57 -9.538 -10.343 -10.225 1.00 0.00 N ATOM 0 H LYS A 57 -3.220 -10.344 -6.795 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.079 -11.116 -7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.580 -10.435 -9.244 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.171 -12.133 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.108 -12.280 -10.395 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.791 -12.457 -8.791 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.592 -10.215 -8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -6.505 -9.695 -10.013 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.978 -10.284 -11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.255 -11.863 -10.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -10.265 -10.537 -10.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.773 -10.851 -9.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.504 -9.321 -10.034 1.00 0.00 H new ATOM 927 N SER A 58 -5.618 -13.324 -6.176 1.00 0.00 N ATOM 928 CA SER A 58 -5.376 -14.569 -5.467 1.00 0.00 C ATOM 929 C SER A 58 -5.255 -15.724 -6.463 1.00 0.00 C ATOM 930 O SER A 58 -5.702 -15.613 -7.604 1.00 0.00 O ATOM 931 CB SER A 58 -6.490 -14.853 -4.457 1.00 0.00 C ATOM 932 OG SER A 58 -7.770 -14.472 -4.954 1.00 0.00 O ATOM 0 H SER A 58 -6.602 -13.104 -6.329 1.00 0.00 H new ATOM 0 HA SER A 58 -4.440 -14.473 -4.917 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.497 -15.916 -4.214 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.286 -14.315 -3.531 1.00 0.00 H new ATOM 0 HG SER A 58 -8.393 -14.365 -4.205 1.00 0.00 H new ATOM 938 N ALA A 59 -4.650 -16.806 -5.996 1.00 0.00 N ATOM 939 CA ALA A 59 -4.465 -17.980 -6.832 1.00 0.00 C ATOM 940 C ALA A 59 -5.833 -18.521 -7.252 1.00 0.00 C ATOM 941 O ALA A 59 -5.926 -19.341 -8.165 1.00 0.00 O ATOM 942 CB ALA A 59 -3.633 -19.018 -6.077 1.00 0.00 C ATOM 0 H ALA A 59 -4.281 -16.894 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.919 -17.724 -7.740 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.494 -19.899 -6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -2.661 -18.593 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.151 -19.303 -5.161 1.00 0.00 H new ATOM 948 N ASN A 60 -6.860 -18.041 -6.567 1.00 0.00 N ATOM 949 CA ASN A 60 -8.218 -18.468 -6.858 1.00 0.00 C ATOM 950 C ASN A 60 -8.416 -19.901 -6.360 1.00 0.00 C ATOM 951 O ASN A 60 -9.202 -20.140 -5.444 1.00 0.00 O ATOM 952 CB ASN A 60 -8.491 -18.448 -8.363 1.00 0.00 C ATOM 953 CG ASN A 60 -7.968 -17.159 -8.999 1.00 0.00 C ATOM 954 OD1 ASN A 60 -7.912 -16.109 -8.380 1.00 0.00 O ATOM 955 ND2 ASN A 60 -7.587 -17.296 -10.266 1.00 0.00 N ATOM 0 H ASN A 60 -6.779 -17.361 -5.811 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.901 -17.781 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.016 -19.309 -8.834 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.562 -18.538 -8.543 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.222 -16.493 -10.778 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.660 -18.204 -10.725 1.00 0.00 H new ATOM 997 N ASN A 64 -8.644 -18.960 0.773 1.00 0.00 N ATOM 998 CA ASN A 64 -8.774 -17.567 1.166 1.00 0.00 C ATOM 999 C ASN A 64 -8.910 -16.699 -0.087 1.00 0.00 C ATOM 1000 O ASN A 64 -8.241 -15.674 -0.212 1.00 0.00 O ATOM 1001 CB ASN A 64 -7.540 -17.095 1.936 1.00 0.00 C ATOM 1002 CG ASN A 64 -7.025 -18.190 2.872 1.00 0.00 C ATOM 1003 OD1 ASN A 64 -7.670 -18.575 3.833 1.00 0.00 O ATOM 1004 ND2 ASN A 64 -5.830 -18.669 2.538 1.00 0.00 N ATOM 0 HA ASN A 64 -9.653 -17.477 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -6.755 -16.813 1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -7.786 -16.204 2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.400 -19.404 3.100 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -5.344 -18.302 1.720 1.00 0.00 H new ATOM 1011 N GLU A 65 -9.781 -17.141 -0.983 1.00 0.00 N ATOM 1012 CA GLU A 65 -10.013 -16.418 -2.221 1.00 0.00 C ATOM 1013 C GLU A 65 -11.067 -15.329 -2.010 1.00 0.00 C ATOM 1014 O GLU A 65 -10.772 -14.141 -2.139 1.00 0.00 O ATOM 1015 CB GLU A 65 -10.427 -17.371 -3.344 1.00 0.00 C ATOM 1016 CG GLU A 65 -10.491 -16.641 -4.687 1.00 0.00 C ATOM 1017 CD GLU A 65 -11.654 -15.648 -4.717 1.00 0.00 C ATOM 1018 OE1 GLU A 65 -12.809 -16.125 -4.699 1.00 0.00 O ATOM 1019 OE2 GLU A 65 -11.362 -14.433 -4.756 1.00 0.00 O ATOM 0 H GLU A 65 -10.334 -17.991 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 65 -9.080 -15.941 -2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -9.716 -18.195 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.400 -17.807 -3.116 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.553 -16.114 -4.863 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -10.606 -17.365 -5.493 1.00 0.00 H new ATOM 1026 N ARG A 66 -12.273 -15.772 -1.689 1.00 0.00 N ATOM 1027 CA ARG A 66 -13.372 -14.850 -1.459 1.00 0.00 C ATOM 1028 C ARG A 66 -13.011 -13.859 -0.350 1.00 0.00 C ATOM 1029 O ARG A 66 -13.519 -12.739 -0.324 1.00 0.00 O ATOM 1030 CB ARG A 66 -14.647 -15.599 -1.068 1.00 0.00 C ATOM 1031 CG ARG A 66 -15.732 -14.628 -0.597 1.00 0.00 C ATOM 1032 CD ARG A 66 -16.210 -13.740 -1.748 1.00 0.00 C ATOM 1033 NE ARG A 66 -17.124 -12.695 -1.235 1.00 0.00 N ATOM 1034 CZ ARG A 66 -17.986 -12.010 -1.998 1.00 0.00 C ATOM 1035 NH1 ARG A 66 -18.057 -12.256 -3.314 1.00 0.00 N ATOM 1036 NH2 ARG A 66 -18.777 -11.080 -1.447 1.00 0.00 N ATOM 0 H ARG A 66 -12.514 -16.757 -1.583 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.552 -14.311 -2.389 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.012 -16.172 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -14.425 -16.313 -0.275 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -16.574 -15.188 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -15.343 -14.006 0.210 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -15.355 -13.277 -2.240 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.720 -14.345 -2.497 1.00 0.00 H new ATOM 0 HE ARG A 66 -17.096 -12.483 -0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -17.455 -12.964 -3.734 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -18.713 -11.735 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -18.723 -10.893 -0.446 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -19.433 -10.559 -2.029 1.00 0.00 H new ATOM 1050 N ILE A 67 -12.135 -14.307 0.537 1.00 0.00 N ATOM 1051 CA ILE A 67 -11.700 -13.474 1.645 1.00 0.00 C ATOM 1052 C ILE A 67 -10.727 -12.413 1.128 1.00 0.00 C ATOM 1053 O ILE A 67 -10.886 -11.227 1.415 1.00 0.00 O ATOM 1054 CB ILE A 67 -11.127 -14.337 2.772 1.00 0.00 C ATOM 1055 CG1 ILE A 67 -11.408 -13.711 4.139 1.00 0.00 C ATOM 1056 CG2 ILE A 67 -9.635 -14.598 2.557 1.00 0.00 C ATOM 1057 CD1 ILE A 67 -10.309 -12.719 4.525 1.00 0.00 C ATOM 0 H ILE A 67 -11.715 -15.236 0.511 1.00 0.00 H new ATOM 0 HA ILE A 67 -12.548 -12.945 2.080 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.630 -15.304 2.752 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -12.371 -13.202 4.118 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.477 -14.494 4.894 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -9.252 -15.213 3.371 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -9.489 -15.118 1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -9.099 -13.649 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -10.534 -12.289 5.501 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.351 -13.236 4.568 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -10.259 -11.924 3.781 1.00 0.00 H new ATOM 1069 N ILE A 68 -9.741 -12.877 0.374 1.00 0.00 N ATOM 1070 CA ILE A 68 -8.742 -11.982 -0.186 1.00 0.00 C ATOM 1071 C ILE A 68 -9.440 -10.770 -0.805 1.00 0.00 C ATOM 1072 O ILE A 68 -8.953 -9.646 -0.697 1.00 0.00 O ATOM 1073 CB ILE A 68 -7.835 -12.735 -1.161 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -6.407 -12.827 -0.621 1.00 0.00 C ATOM 1075 CG2 ILE A 68 -7.882 -12.101 -2.553 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -6.372 -13.576 0.713 1.00 0.00 C ATOM 0 H ILE A 68 -9.613 -13.861 0.138 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.085 -11.605 0.598 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.208 -13.754 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.773 -13.338 -1.346 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.999 -11.825 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.229 -12.655 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -8.904 -12.130 -2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.547 -11.065 -2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -5.345 -13.627 1.075 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.988 -13.049 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -6.758 -14.586 0.574 1.00 0.00 H new ATOM 1088 N ASN A 69 -10.571 -11.039 -1.441 1.00 0.00 N ATOM 1089 CA ASN A 69 -11.341 -9.984 -2.079 1.00 0.00 C ATOM 1090 C ASN A 69 -11.575 -8.853 -1.076 1.00 0.00 C ATOM 1091 O ASN A 69 -11.824 -7.714 -1.467 1.00 0.00 O ATOM 1092 CB ASN A 69 -12.707 -10.500 -2.537 1.00 0.00 C ATOM 1093 CG ASN A 69 -13.652 -9.339 -2.854 1.00 0.00 C ATOM 1094 OD1 ASN A 69 -14.466 -8.928 -2.043 1.00 0.00 O ATOM 1095 ND2 ASN A 69 -13.500 -8.836 -4.076 1.00 0.00 N ATOM 0 H ASN A 69 -10.973 -11.972 -1.528 1.00 0.00 H new ATOM 0 HA ASN A 69 -10.780 -9.632 -2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.586 -11.127 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.143 -11.127 -1.759 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.084 -8.059 -4.384 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -12.799 -9.227 -4.705 1.00 0.00 H new ATOM 1102 N VAL A 70 -11.486 -9.206 0.198 1.00 0.00 N ATOM 1103 CA VAL A 70 -11.685 -8.234 1.260 1.00 0.00 C ATOM 1104 C VAL A 70 -10.450 -7.335 1.360 1.00 0.00 C ATOM 1105 O VAL A 70 -10.563 -6.154 1.684 1.00 0.00 O ATOM 1106 CB VAL A 70 -12.010 -8.951 2.571 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -13.013 -10.084 2.342 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -10.738 -9.472 3.242 1.00 0.00 C ATOM 0 H VAL A 70 -11.279 -10.152 0.519 1.00 0.00 H new ATOM 0 HA VAL A 70 -12.537 -7.592 1.036 1.00 0.00 H new ATOM 0 HB VAL A 70 -12.470 -8.227 3.243 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -13.227 -10.578 3.290 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -13.935 -9.675 1.929 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -12.592 -10.807 1.643 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -10.998 -9.977 4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -10.236 -10.174 2.576 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -10.072 -8.637 3.457 1.00 0.00 H new ATOM 1118 N SER A 71 -9.300 -7.929 1.077 1.00 0.00 N ATOM 1119 CA SER A 71 -8.046 -7.198 1.131 1.00 0.00 C ATOM 1120 C SER A 71 -7.917 -6.289 -0.093 1.00 0.00 C ATOM 1121 O SER A 71 -7.037 -5.431 -0.144 1.00 0.00 O ATOM 1122 CB SER A 71 -6.854 -8.153 1.211 1.00 0.00 C ATOM 1123 OG SER A 71 -6.401 -8.330 2.550 1.00 0.00 O ATOM 0 H SER A 71 -9.211 -8.909 0.809 1.00 0.00 H new ATOM 0 HA SER A 71 -8.046 -6.585 2.032 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.135 -9.119 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.038 -7.766 0.600 1.00 0.00 H new ATOM 0 HG SER A 71 -6.470 -9.276 2.796 1.00 0.00 H new ATOM 1129 N ILE A 72 -8.808 -6.508 -1.050 1.00 0.00 N ATOM 1130 CA ILE A 72 -8.804 -5.720 -2.270 1.00 0.00 C ATOM 1131 C ILE A 72 -9.375 -4.331 -1.977 1.00 0.00 C ATOM 1132 O ILE A 72 -8.690 -3.325 -2.150 1.00 0.00 O ATOM 1133 CB ILE A 72 -9.537 -6.462 -3.390 1.00 0.00 C ATOM 1134 CG1 ILE A 72 -9.183 -7.951 -3.383 1.00 0.00 C ATOM 1135 CG2 ILE A 72 -9.264 -5.813 -4.748 1.00 0.00 C ATOM 1136 CD1 ILE A 72 -7.691 -8.161 -3.649 1.00 0.00 C ATOM 0 H ILE A 72 -9.537 -7.220 -1.004 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.784 -5.577 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.609 -6.385 -3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.449 -8.387 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.768 -8.471 -4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -9.797 -6.360 -5.526 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -9.606 -4.778 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.194 -5.838 -4.955 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.466 -9.228 -3.639 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -7.433 -7.745 -4.623 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.109 -7.660 -2.875 1.00 0.00 H new ATOM 1148 N LYS A 73 -10.625 -4.321 -1.538 1.00 0.00 N ATOM 1149 CA LYS A 73 -11.297 -3.072 -1.219 1.00 0.00 C ATOM 1150 C LYS A 73 -10.315 -2.137 -0.510 1.00 0.00 C ATOM 1151 O LYS A 73 -9.960 -1.086 -1.040 1.00 0.00 O ATOM 1152 CB LYS A 73 -12.575 -3.339 -0.423 1.00 0.00 C ATOM 1153 CG LYS A 73 -13.759 -3.601 -1.357 1.00 0.00 C ATOM 1154 CD LYS A 73 -14.533 -2.311 -1.635 1.00 0.00 C ATOM 1155 CE LYS A 73 -14.178 -1.743 -3.010 1.00 0.00 C ATOM 1156 NZ LYS A 73 -14.036 -0.271 -2.942 1.00 0.00 N ATOM 0 H LYS A 73 -11.190 -5.158 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.617 -2.568 -2.131 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.427 -4.198 0.232 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.794 -2.484 0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.400 -4.024 -2.295 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.424 -4.339 -0.909 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -15.604 -2.507 -1.584 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.307 -1.574 -0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.248 -2.188 -3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.953 -2.007 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.795 0.098 -3.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.932 0.150 -2.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.281 -0.026 -2.270 1.00 0.00 H new ATOM 1170 N LYS A 74 -9.903 -2.554 0.678 1.00 0.00 N ATOM 1171 CA LYS A 74 -8.969 -1.767 1.465 1.00 0.00 C ATOM 1172 C LYS A 74 -7.742 -1.438 0.614 1.00 0.00 C ATOM 1173 O LYS A 74 -7.445 -0.269 0.371 1.00 0.00 O ATOM 1174 CB LYS A 74 -8.635 -2.485 2.775 1.00 0.00 C ATOM 1175 CG LYS A 74 -8.855 -1.564 3.976 1.00 0.00 C ATOM 1176 CD LYS A 74 -10.341 -1.470 4.330 1.00 0.00 C ATOM 1177 CE LYS A 74 -10.730 -0.034 4.687 1.00 0.00 C ATOM 1178 NZ LYS A 74 -11.637 -0.018 5.856 1.00 0.00 N ATOM 0 H LYS A 74 -10.199 -3.427 1.115 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.420 -0.818 1.754 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.257 -3.374 2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.598 -2.822 2.755 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.296 -1.939 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.467 -0.570 3.753 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.942 -1.815 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.561 -2.130 5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.835 0.548 4.906 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.217 0.440 3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.891 0.964 6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -12.499 -0.556 5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.159 -0.451 6.672 1.00 0.00 H new ATOM 1192 N LEU A 75 -7.061 -2.490 0.182 1.00 0.00 N ATOM 1193 CA LEU A 75 -5.872 -2.327 -0.637 1.00 0.00 C ATOM 1194 C LEU A 75 -6.093 -1.181 -1.626 1.00 0.00 C ATOM 1195 O LEU A 75 -5.172 -0.416 -1.910 1.00 0.00 O ATOM 1196 CB LEU A 75 -5.497 -3.652 -1.306 1.00 0.00 C ATOM 1197 CG LEU A 75 -4.408 -3.577 -2.378 1.00 0.00 C ATOM 1198 CD1 LEU A 75 -3.119 -4.248 -1.898 1.00 0.00 C ATOM 1199 CD2 LEU A 75 -4.901 -4.164 -3.702 1.00 0.00 C ATOM 0 H LEU A 75 -7.310 -3.458 0.384 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.017 -2.055 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.170 -4.347 -0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.395 -4.075 -1.757 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.177 -2.527 -2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.361 -4.181 -2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.760 -3.746 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.316 -5.296 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.108 -4.098 -4.447 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.177 -5.208 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.770 -3.604 -4.047 1.00 0.00 H new ATOM 1211 N LYS A 76 -7.318 -1.097 -2.122 1.00 0.00 N ATOM 1212 CA LYS A 76 -7.671 -0.056 -3.073 1.00 0.00 C ATOM 1213 C LYS A 76 -7.982 1.236 -2.315 1.00 0.00 C ATOM 1214 O LYS A 76 -9.050 1.820 -2.489 1.00 0.00 O ATOM 1215 CB LYS A 76 -8.808 -0.525 -3.982 1.00 0.00 C ATOM 1216 CG LYS A 76 -8.276 -1.399 -5.120 1.00 0.00 C ATOM 1217 CD LYS A 76 -9.366 -1.669 -6.160 1.00 0.00 C ATOM 1218 CE LYS A 76 -8.775 -1.731 -7.570 1.00 0.00 C ATOM 1219 NZ LYS A 76 -9.592 -0.931 -8.510 1.00 0.00 N ATOM 0 H LYS A 76 -8.079 -1.733 -1.884 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.832 0.157 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -9.537 -1.087 -3.398 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.328 0.339 -4.395 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.428 -0.906 -5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.911 -2.344 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.868 -2.609 -5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.121 -0.885 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -7.752 -1.356 -7.559 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.731 -2.767 -7.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.177 -0.984 -9.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.562 -1.306 -8.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.612 0.060 -8.196 1.00 0.00 H new ATOM 1233 N ARG A 77 -7.029 1.645 -1.491 1.00 0.00 N ATOM 1234 CA ARG A 77 -7.187 2.858 -0.706 1.00 0.00 C ATOM 1235 C ARG A 77 -6.528 4.041 -1.418 1.00 0.00 C ATOM 1236 O ARG A 77 -5.358 3.971 -1.792 1.00 0.00 O ATOM 1237 CB ARG A 77 -6.569 2.699 0.684 1.00 0.00 C ATOM 1238 CG ARG A 77 -7.164 3.708 1.668 1.00 0.00 C ATOM 1239 CD ARG A 77 -7.984 3.002 2.749 1.00 0.00 C ATOM 1240 NE ARG A 77 -9.374 3.510 2.743 1.00 0.00 N ATOM 1241 CZ ARG A 77 -10.326 3.086 1.899 1.00 0.00 C ATOM 1242 NH1 ARG A 77 -10.043 2.144 0.989 1.00 0.00 N ATOM 1243 NH2 ARG A 77 -11.560 3.604 1.966 1.00 0.00 N ATOM 0 H ARG A 77 -6.144 1.158 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.255 3.045 -0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.740 1.686 1.048 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -5.490 2.838 0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -6.363 4.284 2.132 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.796 4.415 1.131 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -7.981 1.926 2.575 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -7.532 3.168 3.727 1.00 0.00 H new ATOM 0 HE ARG A 77 -9.624 4.228 3.424 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.104 1.750 0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -10.767 1.821 0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -11.775 4.321 2.659 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -12.284 3.281 1.324 1.00 0.00 H new ATOM 1257 N LYS A 78 -7.307 5.099 -1.584 1.00 0.00 N ATOM 1258 CA LYS A 78 -6.814 6.295 -2.245 1.00 0.00 C ATOM 1259 C LYS A 78 -6.152 7.207 -1.210 1.00 0.00 C ATOM 1260 O LYS A 78 -6.467 7.137 -0.023 1.00 0.00 O ATOM 1261 CB LYS A 78 -7.936 6.973 -3.034 1.00 0.00 C ATOM 1262 CG LYS A 78 -7.845 6.629 -4.522 1.00 0.00 C ATOM 1263 CD LYS A 78 -7.407 7.846 -5.340 1.00 0.00 C ATOM 1264 CE LYS A 78 -8.202 7.945 -6.643 1.00 0.00 C ATOM 1265 NZ LYS A 78 -7.312 8.313 -7.767 1.00 0.00 N ATOM 0 H LYS A 78 -8.277 5.153 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 78 -6.051 6.038 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.903 6.657 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.876 8.053 -2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.136 5.814 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.813 6.277 -4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.549 8.753 -4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -6.343 7.774 -5.564 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.687 6.992 -6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.992 8.689 -6.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.868 8.376 -8.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.868 9.233 -7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.574 7.589 -7.877 1.00 0.00 H new ATOM 1279 N PRO A 79 -5.222 8.065 -1.711 1.00 0.00 N ATOM 1280 CA PRO A 79 -4.513 8.990 -0.844 1.00 0.00 C ATOM 1281 C PRO A 79 -5.414 10.154 -0.430 1.00 0.00 C ATOM 1282 O PRO A 79 -6.363 10.491 -1.136 1.00 0.00 O ATOM 1283 CB PRO A 79 -3.302 9.433 -1.648 1.00 0.00 C ATOM 1284 CG PRO A 79 -3.621 9.106 -3.098 1.00 0.00 C ATOM 1285 CD PRO A 79 -4.824 8.176 -3.111 1.00 0.00 C ATOM 0 HA PRO A 79 -4.205 8.533 0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.117 10.500 -1.520 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.403 8.912 -1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -3.836 10.017 -3.657 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.766 8.631 -3.580 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -5.631 8.581 -3.721 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.567 7.202 -3.528 1.00 0.00 H new ATOM 1628 N LYS A 102 8.660 -5.347 -12.546 1.00 0.00 N ATOM 1629 CA LYS A 102 7.566 -6.164 -12.047 1.00 0.00 C ATOM 1630 C LYS A 102 8.047 -6.971 -10.840 1.00 0.00 C ATOM 1631 O LYS A 102 9.216 -7.346 -10.765 1.00 0.00 O ATOM 1632 CB LYS A 102 6.985 -7.024 -13.171 1.00 0.00 C ATOM 1633 CG LYS A 102 5.861 -6.286 -13.901 1.00 0.00 C ATOM 1634 CD LYS A 102 6.344 -4.933 -14.426 1.00 0.00 C ATOM 1635 CE LYS A 102 5.795 -3.787 -13.575 1.00 0.00 C ATOM 1636 NZ LYS A 102 4.855 -2.959 -14.363 1.00 0.00 N ATOM 0 HA LYS A 102 6.746 -5.534 -11.702 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.772 -7.285 -13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.604 -7.958 -12.759 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.501 -6.894 -14.731 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.019 -6.138 -13.225 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.434 -4.905 -14.421 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.027 -4.806 -15.461 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.287 -4.189 -12.698 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.617 -3.169 -13.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.133 -1.959 -14.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.879 -3.259 -15.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.892 -3.076 -13.989 1.00 0.00 H new ATOM 1650 N LYS A 103 7.120 -7.215 -9.925 1.00 0.00 N ATOM 1651 CA LYS A 103 7.435 -7.971 -8.725 1.00 0.00 C ATOM 1652 C LYS A 103 6.254 -8.879 -8.374 1.00 0.00 C ATOM 1653 O LYS A 103 5.145 -8.679 -8.869 1.00 0.00 O ATOM 1654 CB LYS A 103 7.844 -7.030 -7.590 1.00 0.00 C ATOM 1655 CG LYS A 103 9.339 -6.712 -7.655 1.00 0.00 C ATOM 1656 CD LYS A 103 10.130 -7.591 -6.684 1.00 0.00 C ATOM 1657 CE LYS A 103 11.636 -7.392 -6.866 1.00 0.00 C ATOM 1658 NZ LYS A 103 12.380 -8.018 -5.750 1.00 0.00 N ATOM 0 H LYS A 103 6.151 -6.903 -9.991 1.00 0.00 H new ATOM 0 HA LYS A 103 8.295 -8.618 -8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.269 -6.106 -7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.607 -7.488 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.703 -6.867 -8.671 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.502 -5.661 -7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 103 9.849 -7.350 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.876 -8.638 -6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.955 -7.828 -7.813 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.865 -6.327 -6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.180 -7.410 -5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 11.747 -8.136 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.736 -8.948 -6.049 1.00 0.00 H new ATOM 1672 N PRO A 104 6.539 -9.882 -7.502 1.00 0.00 N ATOM 1673 CA PRO A 104 5.513 -10.821 -7.080 1.00 0.00 C ATOM 1674 C PRO A 104 4.557 -10.174 -6.076 1.00 0.00 C ATOM 1675 O PRO A 104 4.766 -9.036 -5.659 1.00 0.00 O ATOM 1676 CB PRO A 104 6.274 -12.001 -6.499 1.00 0.00 C ATOM 1677 CG PRO A 104 7.671 -11.485 -6.191 1.00 0.00 C ATOM 1678 CD PRO A 104 7.840 -10.149 -6.897 1.00 0.00 C ATOM 0 HA PRO A 104 4.874 -11.142 -7.902 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.788 -12.374 -5.598 1.00 0.00 H new ATOM 0 HB3 PRO A 104 6.311 -12.829 -7.207 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.807 -11.369 -5.116 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.424 -12.195 -6.532 1.00 0.00 H new ATOM 0 HD2 PRO A 104 8.119 -9.363 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.625 -10.196 -7.651 1.00 0.00 H new ATOM 1686 N PRO A 105 3.500 -10.946 -5.709 1.00 0.00 N ATOM 1687 CA PRO A 105 2.511 -10.460 -4.762 1.00 0.00 C ATOM 1688 C PRO A 105 3.063 -10.476 -3.335 1.00 0.00 C ATOM 1689 O PRO A 105 2.925 -9.499 -2.601 1.00 0.00 O ATOM 1690 CB PRO A 105 1.310 -11.374 -4.944 1.00 0.00 C ATOM 1691 CG PRO A 105 1.833 -12.616 -5.646 1.00 0.00 C ATOM 1692 CD PRO A 105 3.220 -12.299 -6.182 1.00 0.00 C ATOM 0 HA PRO A 105 2.235 -9.421 -4.939 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.863 -11.628 -3.983 1.00 0.00 H new ATOM 0 HB3 PRO A 105 0.535 -10.887 -5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.874 -13.457 -4.954 1.00 0.00 H new ATOM 0 HG3 PRO A 105 1.166 -12.904 -6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 105 3.959 -13.009 -5.812 1.00 0.00 H new ATOM 0 HD3 PRO A 105 3.245 -12.351 -7.270 1.00 0.00 H new ATOM 1700 N LYS A 106 3.678 -11.596 -2.985 1.00 0.00 N ATOM 1701 CA LYS A 106 4.252 -11.752 -1.659 1.00 0.00 C ATOM 1702 C LYS A 106 5.114 -10.530 -1.335 1.00 0.00 C ATOM 1703 O LYS A 106 5.028 -9.980 -0.238 1.00 0.00 O ATOM 1704 CB LYS A 106 5.004 -13.080 -1.554 1.00 0.00 C ATOM 1705 CG LYS A 106 5.719 -13.411 -2.865 1.00 0.00 C ATOM 1706 CD LYS A 106 7.065 -14.088 -2.599 1.00 0.00 C ATOM 1707 CE LYS A 106 7.081 -15.513 -3.156 1.00 0.00 C ATOM 1708 NZ LYS A 106 8.114 -16.325 -2.474 1.00 0.00 N ATOM 0 H LYS A 106 3.791 -12.404 -3.597 1.00 0.00 H new ATOM 0 HA LYS A 106 3.465 -11.797 -0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 106 5.730 -13.027 -0.743 1.00 0.00 H new ATOM 0 HB3 LYS A 106 4.305 -13.879 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 106 5.092 -14.066 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 106 5.874 -12.498 -3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 106 7.865 -13.506 -3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 106 7.259 -14.111 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.102 -15.973 -3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 106 7.278 -15.489 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.111 -17.289 -2.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.049 -15.894 -2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 7.909 -16.363 -1.455 1.00 0.00 H new ATOM 1722 N GLU A 107 5.924 -10.142 -2.308 1.00 0.00 N ATOM 1723 CA GLU A 107 6.800 -8.995 -2.140 1.00 0.00 C ATOM 1724 C GLU A 107 6.003 -7.695 -2.262 1.00 0.00 C ATOM 1725 O GLU A 107 6.033 -6.857 -1.362 1.00 0.00 O ATOM 1726 CB GLU A 107 7.950 -9.030 -3.149 1.00 0.00 C ATOM 1727 CG GLU A 107 8.958 -10.125 -2.794 1.00 0.00 C ATOM 1728 CD GLU A 107 10.345 -9.532 -2.540 1.00 0.00 C ATOM 1729 OE1 GLU A 107 10.621 -8.464 -3.127 1.00 0.00 O ATOM 1730 OE2 GLU A 107 11.098 -10.161 -1.765 1.00 0.00 O ATOM 0 H GLU A 107 5.992 -10.601 -3.216 1.00 0.00 H new ATOM 0 HA GLU A 107 7.235 -9.039 -1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 107 7.555 -9.205 -4.150 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.451 -8.062 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.620 -10.662 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.012 -10.851 -3.605 1.00 0.00 H new ATOM 1737 N PHE A 108 5.308 -7.568 -3.383 1.00 0.00 N ATOM 1738 CA PHE A 108 4.504 -6.384 -3.635 1.00 0.00 C ATOM 1739 C PHE A 108 3.735 -5.966 -2.380 1.00 0.00 C ATOM 1740 O PHE A 108 3.550 -4.777 -2.128 1.00 0.00 O ATOM 1741 CB PHE A 108 3.504 -6.747 -4.734 1.00 0.00 C ATOM 1742 CG PHE A 108 2.283 -5.828 -4.793 1.00 0.00 C ATOM 1743 CD1 PHE A 108 2.446 -4.492 -4.990 1.00 0.00 C ATOM 1744 CD2 PHE A 108 1.034 -6.347 -4.650 1.00 0.00 C ATOM 1745 CE1 PHE A 108 1.313 -3.639 -5.044 1.00 0.00 C ATOM 1746 CE2 PHE A 108 -0.100 -5.493 -4.705 1.00 0.00 C ATOM 1747 CZ PHE A 108 0.063 -4.157 -4.901 1.00 0.00 C ATOM 0 H PHE A 108 5.285 -8.265 -4.127 1.00 0.00 H new ATOM 0 HA PHE A 108 5.147 -5.554 -3.928 1.00 0.00 H new ATOM 0 HB2 PHE A 108 4.013 -6.720 -5.697 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.167 -7.772 -4.580 1.00 0.00 H new ATOM 0 HD1 PHE A 108 3.438 -4.080 -5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 108 0.904 -7.408 -4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 108 1.443 -2.578 -5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -1.092 -5.905 -4.591 1.00 0.00 H new ATOM 0 HZ PHE A 108 -0.799 -3.508 -4.943 1.00 0.00 H new ATOM 1757 N LEU A 109 3.308 -6.969 -1.626 1.00 0.00 N ATOM 1758 CA LEU A 109 2.563 -6.721 -0.403 1.00 0.00 C ATOM 1759 C LEU A 109 3.540 -6.392 0.727 1.00 0.00 C ATOM 1760 O LEU A 109 3.352 -5.415 1.451 1.00 0.00 O ATOM 1761 CB LEU A 109 1.636 -7.898 -0.092 1.00 0.00 C ATOM 1762 CG LEU A 109 0.253 -7.854 -0.745 1.00 0.00 C ATOM 1763 CD1 LEU A 109 -0.366 -6.461 -0.624 1.00 0.00 C ATOM 1764 CD2 LEU A 109 0.318 -8.329 -2.198 1.00 0.00 C ATOM 0 H LEU A 109 3.464 -7.954 -1.838 1.00 0.00 H new ATOM 0 HA LEU A 109 1.911 -5.855 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.133 -8.818 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.504 -7.955 0.988 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.400 -8.543 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.348 -6.457 -1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -0.468 -6.199 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 109 0.277 -5.733 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.678 -8.288 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.991 -7.684 -2.762 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.687 -9.354 -2.229 1.00 0.00 H new ATOM 1776 N GLU A 110 4.563 -7.226 0.843 1.00 0.00 N ATOM 1777 CA GLU A 110 5.570 -7.037 1.873 1.00 0.00 C ATOM 1778 C GLU A 110 6.062 -5.588 1.874 1.00 0.00 C ATOM 1779 O GLU A 110 6.435 -5.056 2.918 1.00 0.00 O ATOM 1780 CB GLU A 110 6.735 -8.011 1.686 1.00 0.00 C ATOM 1781 CG GLU A 110 7.594 -8.087 2.950 1.00 0.00 C ATOM 1782 CD GLU A 110 8.657 -6.986 2.958 1.00 0.00 C ATOM 1783 OE1 GLU A 110 9.300 -6.811 1.900 1.00 0.00 O ATOM 1784 OE2 GLU A 110 8.802 -6.345 4.021 1.00 0.00 O ATOM 0 H GLU A 110 4.716 -8.035 0.240 1.00 0.00 H new ATOM 0 HA GLU A 110 5.116 -7.247 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.350 -9.002 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.349 -7.692 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.960 -7.991 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.076 -9.063 3.008 1.00 0.00 H new ATOM 1791 N ARG A 111 6.046 -4.990 0.691 1.00 0.00 N ATOM 1792 CA ARG A 111 6.486 -3.613 0.543 1.00 0.00 C ATOM 1793 C ARG A 111 5.323 -2.654 0.805 1.00 0.00 C ATOM 1794 O ARG A 111 5.462 -1.696 1.564 1.00 0.00 O ATOM 1795 CB ARG A 111 7.040 -3.361 -0.860 1.00 0.00 C ATOM 1796 CG ARG A 111 8.152 -2.310 -0.829 1.00 0.00 C ATOM 1797 CD ARG A 111 8.763 -2.117 -2.219 1.00 0.00 C ATOM 1798 NE ARG A 111 10.241 -2.117 -2.126 1.00 0.00 N ATOM 1799 CZ ARG A 111 10.973 -3.187 -1.790 1.00 0.00 C ATOM 1800 NH1 ARG A 111 10.370 -4.351 -1.511 1.00 0.00 N ATOM 1801 NH2 ARG A 111 12.308 -3.094 -1.731 1.00 0.00 N ATOM 0 H ARG A 111 5.735 -5.434 -0.173 1.00 0.00 H new ATOM 0 HA ARG A 111 7.278 -3.437 1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.426 -4.292 -1.275 1.00 0.00 H new ATOM 0 HB3 ARG A 111 6.237 -3.027 -1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 111 7.752 -1.362 -0.469 1.00 0.00 H new ATOM 0 HG3 ARG A 111 8.927 -2.616 -0.126 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.432 -2.914 -2.885 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.417 -1.177 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 111 10.733 -1.247 -2.331 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.353 -4.422 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.928 -5.166 -1.255 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.767 -2.208 -1.942 1.00 0.00 H new ATOM 0 HH22 ARG A 111 12.865 -3.909 -1.475 1.00 0.00 H new ATOM 1815 N PHE A 112 4.202 -2.944 0.161 1.00 0.00 N ATOM 1816 CA PHE A 112 3.016 -2.119 0.314 1.00 0.00 C ATOM 1817 C PHE A 112 2.812 -1.718 1.777 1.00 0.00 C ATOM 1818 O PHE A 112 2.798 -0.532 2.103 1.00 0.00 O ATOM 1819 CB PHE A 112 1.823 -2.961 -0.143 1.00 0.00 C ATOM 1820 CG PHE A 112 0.613 -2.136 -0.587 1.00 0.00 C ATOM 1821 CD1 PHE A 112 0.341 -0.948 0.017 1.00 0.00 C ATOM 1822 CD2 PHE A 112 -0.191 -2.591 -1.585 1.00 0.00 C ATOM 1823 CE1 PHE A 112 -0.782 -0.183 -0.395 1.00 0.00 C ATOM 1824 CE2 PHE A 112 -1.314 -1.826 -1.997 1.00 0.00 C ATOM 1825 CZ PHE A 112 -1.586 -0.638 -1.394 1.00 0.00 C ATOM 0 H PHE A 112 4.090 -3.739 -0.468 1.00 0.00 H new ATOM 0 HA PHE A 112 3.119 -1.207 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.137 -3.600 -0.969 1.00 0.00 H new ATOM 0 HB3 PHE A 112 1.522 -3.619 0.672 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.979 -0.587 0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 112 0.025 -3.534 -2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -0.998 0.760 0.085 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -1.952 -2.188 -2.790 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.440 -0.056 -1.708 1.00 0.00 H new ATOM 1835 N LYS A 113 2.659 -2.730 2.618 1.00 0.00 N ATOM 1836 CA LYS A 113 2.456 -2.499 4.038 1.00 0.00 C ATOM 1837 C LYS A 113 3.527 -1.533 4.551 1.00 0.00 C ATOM 1838 O LYS A 113 3.211 -0.547 5.215 1.00 0.00 O ATOM 1839 CB LYS A 113 2.412 -3.827 4.797 1.00 0.00 C ATOM 1840 CG LYS A 113 2.899 -3.652 6.236 1.00 0.00 C ATOM 1841 CD LYS A 113 3.057 -5.007 6.930 1.00 0.00 C ATOM 1842 CE LYS A 113 4.527 -5.296 7.242 1.00 0.00 C ATOM 1843 NZ LYS A 113 4.886 -6.668 6.821 1.00 0.00 N ATOM 0 H LYS A 113 2.672 -3.712 2.343 1.00 0.00 H new ATOM 0 HA LYS A 113 1.489 -2.027 4.212 1.00 0.00 H new ATOM 0 HB2 LYS A 113 1.394 -4.215 4.799 1.00 0.00 H new ATOM 0 HB3 LYS A 113 3.033 -4.563 4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 113 3.853 -3.124 6.239 1.00 0.00 H new ATOM 0 HG3 LYS A 113 2.192 -3.036 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 113 2.477 -5.017 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 113 2.655 -5.795 6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 113 5.162 -4.574 6.729 1.00 0.00 H new ATOM 0 HE3 LYS A 113 4.708 -5.178 8.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 5.887 -6.848 7.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 4.292 -7.354 7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 4.732 -6.768 5.797 1.00 0.00 H new ATOM 1857 N SER A 114 4.770 -1.851 4.223 1.00 0.00 N ATOM 1858 CA SER A 114 5.889 -1.024 4.642 1.00 0.00 C ATOM 1859 C SER A 114 5.720 0.398 4.103 1.00 0.00 C ATOM 1860 O SER A 114 5.600 1.348 4.875 1.00 0.00 O ATOM 1861 CB SER A 114 7.219 -1.616 4.170 1.00 0.00 C ATOM 1862 OG SER A 114 7.985 -2.139 5.251 1.00 0.00 O ATOM 0 H SER A 114 5.027 -2.670 3.672 1.00 0.00 H new ATOM 0 HA SER A 114 5.902 -0.993 5.731 1.00 0.00 H new ATOM 0 HB2 SER A 114 7.027 -2.408 3.446 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.796 -0.847 3.656 1.00 0.00 H new ATOM 0 HG SER A 114 8.825 -2.509 4.908 1.00 0.00 H new ATOM 1868 N LEU A 115 5.715 0.499 2.782 1.00 0.00 N ATOM 1869 CA LEU A 115 5.562 1.789 2.131 1.00 0.00 C ATOM 1870 C LEU A 115 4.580 2.647 2.932 1.00 0.00 C ATOM 1871 O LEU A 115 4.841 3.821 3.187 1.00 0.00 O ATOM 1872 CB LEU A 115 5.164 1.606 0.665 1.00 0.00 C ATOM 1873 CG LEU A 115 4.956 2.891 -0.139 1.00 0.00 C ATOM 1874 CD1 LEU A 115 3.704 3.634 0.330 1.00 0.00 C ATOM 1875 CD2 LEU A 115 6.202 3.777 -0.089 1.00 0.00 C ATOM 0 H LEU A 115 5.814 -0.291 2.145 1.00 0.00 H new ATOM 0 HA LEU A 115 6.513 2.322 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.934 1.013 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 115 4.242 1.025 0.629 1.00 0.00 H new ATOM 0 HG LEU A 115 4.797 2.619 -1.183 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.579 4.544 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.831 2.995 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.808 3.894 1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 115 6.027 4.684 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.418 4.044 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 115 7.050 3.236 -0.509 1.00 0.00 H new ATOM 1887 N LEU A 116 3.471 2.026 3.306 1.00 0.00 N ATOM 1888 CA LEU A 116 2.448 2.717 4.073 1.00 0.00 C ATOM 1889 C LEU A 116 3.048 3.201 5.395 1.00 0.00 C ATOM 1890 O LEU A 116 3.181 4.403 5.618 1.00 0.00 O ATOM 1891 CB LEU A 116 1.215 1.828 4.246 1.00 0.00 C ATOM 1892 CG LEU A 116 0.535 1.367 2.955 1.00 0.00 C ATOM 1893 CD1 LEU A 116 -0.011 -0.054 3.101 1.00 0.00 C ATOM 1894 CD2 LEU A 116 -0.550 2.357 2.524 1.00 0.00 C ATOM 0 H LEU A 116 3.258 1.052 3.092 1.00 0.00 H new ATOM 0 HA LEU A 116 2.102 3.601 3.537 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.505 0.945 4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.483 2.369 4.846 1.00 0.00 H new ATOM 0 HG LEU A 116 1.284 1.344 2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.489 -0.357 2.170 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.808 -0.737 3.328 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.741 -0.082 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.018 2.006 1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.304 2.435 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.102 3.336 2.353 1.00 0.00 H new ATOM 1906 N GLN A 117 3.394 2.239 6.238 1.00 0.00 N ATOM 1907 CA GLN A 117 3.977 2.551 7.532 1.00 0.00 C ATOM 1908 C GLN A 117 5.250 3.381 7.354 1.00 0.00 C ATOM 1909 O GLN A 117 5.810 3.881 8.329 1.00 0.00 O ATOM 1910 CB GLN A 117 4.260 1.276 8.328 1.00 0.00 C ATOM 1911 CG GLN A 117 5.569 0.626 7.874 1.00 0.00 C ATOM 1912 CD GLN A 117 6.606 0.638 9.000 1.00 0.00 C ATOM 1913 OE1 GLN A 117 6.721 -0.291 9.783 1.00 0.00 O ATOM 1914 NE2 GLN A 117 7.352 1.738 9.037 1.00 0.00 N ATOM 0 H GLN A 117 3.282 1.243 6.050 1.00 0.00 H new ATOM 0 HA GLN A 117 3.258 3.142 8.100 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.316 1.511 9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 117 3.437 0.573 8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 117 5.380 -0.400 7.560 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.962 1.157 7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.204 2.478 8.351 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.073 1.842 9.751 1.00 0.00 H new ATOM 1923 N LYS A 118 5.669 3.503 6.104 1.00 0.00 N ATOM 1924 CA LYS A 118 6.866 4.263 5.786 1.00 0.00 C ATOM 1925 C LYS A 118 6.534 5.757 5.802 1.00 0.00 C ATOM 1926 O LYS A 118 7.074 6.508 6.613 1.00 0.00 O ATOM 1927 CB LYS A 118 7.473 3.782 4.467 1.00 0.00 C ATOM 1928 CG LYS A 118 8.989 3.620 4.587 1.00 0.00 C ATOM 1929 CD LYS A 118 9.486 2.452 3.733 1.00 0.00 C ATOM 1930 CE LYS A 118 10.386 1.521 4.547 1.00 0.00 C ATOM 1931 NZ LYS A 118 10.967 0.472 3.679 1.00 0.00 N ATOM 0 H LYS A 118 5.201 3.088 5.298 1.00 0.00 H new ATOM 0 HA LYS A 118 7.634 4.098 6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 118 7.024 2.831 4.182 1.00 0.00 H new ATOM 0 HB3 LYS A 118 7.242 4.494 3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 118 9.482 4.540 4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 118 9.259 3.453 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 118 8.635 1.893 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 118 10.035 2.834 2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 118 11.184 2.096 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 118 9.811 1.060 5.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 11.575 -0.151 4.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.202 -0.087 3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 11.533 0.917 2.928 1.00 0.00 H new ATOM 1945 N MET A 119 5.648 6.143 4.895 1.00 0.00 N ATOM 1946 CA MET A 119 5.238 7.534 4.795 1.00 0.00 C ATOM 1947 C MET A 119 3.912 7.768 5.520 1.00 0.00 C ATOM 1948 O MET A 119 3.846 8.557 6.462 1.00 0.00 O ATOM 1949 CB MET A 119 5.089 7.917 3.321 1.00 0.00 C ATOM 1950 CG MET A 119 4.652 9.376 3.175 1.00 0.00 C ATOM 1951 SD MET A 119 5.847 10.452 3.951 1.00 0.00 S ATOM 1952 CE MET A 119 5.681 11.896 2.916 1.00 0.00 C ATOM 0 H MET A 119 5.203 5.517 4.223 1.00 0.00 H new ATOM 0 HA MET A 119 6.002 8.153 5.265 1.00 0.00 H new ATOM 0 HB2 MET A 119 6.036 7.764 2.804 1.00 0.00 H new ATOM 0 HB3 MET A 119 4.357 7.265 2.844 1.00 0.00 H new ATOM 0 HG2 MET A 119 4.552 9.631 2.120 1.00 0.00 H new ATOM 0 HG3 MET A 119 3.672 9.518 3.631 1.00 0.00 H new ATOM 0 HE1 MET A 119 6.536 12.554 3.070 1.00 0.00 H new ATOM 0 HE2 MET A 119 5.641 11.591 1.870 1.00 0.00 H new ATOM 0 HE3 MET A 119 4.764 12.426 3.175 1.00 0.00 H new ATOM 1962 N ILE A 120 2.888 7.069 5.054 1.00 0.00 N ATOM 1963 CA ILE A 120 1.566 7.191 5.646 1.00 0.00 C ATOM 1964 C ILE A 120 1.703 7.326 7.164 1.00 0.00 C ATOM 1965 O ILE A 120 1.403 8.378 7.726 1.00 0.00 O ATOM 1966 CB ILE A 120 0.674 6.027 5.211 1.00 0.00 C ATOM 1967 CG1 ILE A 120 0.121 6.257 3.803 1.00 0.00 C ATOM 1968 CG2 ILE A 120 -0.439 5.777 6.231 1.00 0.00 C ATOM 1969 CD1 ILE A 120 1.254 6.385 2.783 1.00 0.00 C ATOM 0 H ILE A 120 2.947 6.416 4.273 1.00 0.00 H new ATOM 0 HA ILE A 120 1.070 8.093 5.288 1.00 0.00 H new ATOM 0 HB ILE A 120 1.284 5.125 5.174 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -0.532 5.429 3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -0.488 7.161 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -1.058 4.944 5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 120 0.002 5.536 7.199 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.054 6.672 6.325 1.00 0.00 H new ATOM 0 HD11 ILE A 120 0.834 6.548 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.891 7.228 3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.846 5.470 2.780 1.00 0.00 H new ATOM 1981 N HIS A 121 2.157 6.247 7.784 1.00 0.00 N ATOM 1982 CA HIS A 121 2.337 6.232 9.226 1.00 0.00 C ATOM 1983 C HIS A 121 2.815 7.607 9.697 1.00 0.00 C ATOM 1984 O HIS A 121 2.190 8.223 10.559 1.00 0.00 O ATOM 1985 CB HIS A 121 3.280 5.101 9.644 1.00 0.00 C ATOM 1986 CG HIS A 121 2.572 3.877 10.173 1.00 0.00 C ATOM 1987 ND1 HIS A 121 3.005 3.186 11.292 1.00 0.00 N ATOM 1988 CD2 HIS A 121 1.459 3.228 9.727 1.00 0.00 C ATOM 1989 CE1 HIS A 121 2.182 2.169 11.500 1.00 0.00 C ATOM 1990 NE2 HIS A 121 1.225 2.196 10.528 1.00 0.00 N ATOM 0 H HIS A 121 2.406 5.376 7.314 1.00 0.00 H new ATOM 0 HA HIS A 121 1.383 6.030 9.714 1.00 0.00 H new ATOM 0 HB2 HIS A 121 3.889 4.814 8.787 1.00 0.00 H new ATOM 0 HB3 HIS A 121 3.961 5.473 10.409 1.00 0.00 H new ATOM 0 HD1 HIS A 121 3.819 3.420 11.860 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.868 3.507 8.867 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.256 1.446 12.299 1.00 0.00 H new ATOM 1998 N GLN A 122 3.919 8.047 9.111 1.00 0.00 N ATOM 1999 CA GLN A 122 4.488 9.338 9.461 1.00 0.00 C ATOM 2000 C GLN A 122 3.376 10.338 9.783 1.00 0.00 C ATOM 2001 O GLN A 122 3.501 11.131 10.715 1.00 0.00 O ATOM 2002 CB GLN A 122 5.389 9.861 8.340 1.00 0.00 C ATOM 2003 CG GLN A 122 6.321 8.762 7.827 1.00 0.00 C ATOM 2004 CD GLN A 122 6.948 7.988 8.989 1.00 0.00 C ATOM 2005 OE1 GLN A 122 6.346 7.103 9.576 1.00 0.00 O ATOM 2006 NE2 GLN A 122 8.186 8.370 9.287 1.00 0.00 N ATOM 0 H GLN A 122 4.435 7.533 8.397 1.00 0.00 H new ATOM 0 HA GLN A 122 5.106 9.213 10.350 1.00 0.00 H new ATOM 0 HB2 GLN A 122 4.776 10.234 7.520 1.00 0.00 H new ATOM 0 HB3 GLN A 122 5.979 10.702 8.705 1.00 0.00 H new ATOM 0 HG2 GLN A 122 5.764 8.077 7.188 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.106 9.203 7.213 1.00 0.00 H new ATOM 0 HE21 GLN A 122 8.631 9.118 8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 122 8.691 7.915 10.048 1.00 0.00 H new