USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 586 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 60 CYS SG : rot -131:sc= 0.707 USER MOD Set 1.2: A 62 ASN : amide:sc= 0 K(o=-1.4,f=-1.9) USER MOD Set 1.3: A 67 CYS SG : rot 142:sc= -0.405 USER MOD Set 1.4: A 79 HIS :FLIP no HD1:sc= -1.95 F(o=-3.2,f=-1.4) USER MOD Set 1.5: A 82 MET CE :methyl 178:sc= -0.317 (180deg=-0.000516) USER MOD Set 1.6: A 83 CYS SG : rot 149:sc= 0.568 USER MOD Set 1.7: A 86 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 33 CYS SG : rot 90:sc= -0.949 USER MOD Set 2.2: A 37 CYS SG : rot -153:sc= -0.076 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -11.2! C(o=-13!,f=-13!) USER MOD Set 2.4: A 53 CYS SG : rot 135:sc= -0.54 USER MOD Set 3.1: A 7 HIS :FLIP no HE2:sc= -0.586 X(o=-4.3,f=-4) USER MOD Set 3.2: A 9 HIS :FLIP no HD1:sc= -2.77 F(o=-5.3!,f=-4) USER MOD Set 3.3: A 10 CYS SG : rot -36:sc= -0.693 USER MOD Set 3.4: A 13 CYS SG : rot -161:sc= 0.0633 USER MOD Set 3.5: A 18 CYS SG : rot -56:sc= -0.286 USER MOD Set 3.6: A 20 THR OG1 : rot 97:sc= 0.052 USER MOD Set 3.7: A 28 CYS SG : rot -50:sc= 0.41 USER MOD Set 3.8: A 42 HIS : no HE2:sc= -0.154 K(o=-4,f=-8.7!) USER MOD Set 3.9: A 43 SER OG : rot -51:sc= 0.94 USER MOD Set 3.10: A 44 CYS SG : rot -101:sc= -0.935! USER MOD Single : A 6 GLN : amide:sc= -0.374 X(o=-0.37,f=-0.67) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -7.19! C(o=-7.2!,f=-10!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 158:sc= -0.139 (180deg=-0.753) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0192 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -0.0261 (180deg=-0.0261) USER MOD Single : A 63 SER OG : rot 180:sc= -0.136 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -159:sc= -3.08! (180deg=-3.76!) USER MOD Single : A 74 ASN : amide:sc= -1.05 K(o=-1.1,f=-2.2!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 6 -14.221 10.474 5.907 1.00 0.00 N ATOM 148 CA GLN A 6 -14.223 9.134 6.483 1.00 0.00 C ATOM 149 C GLN A 6 -15.622 8.529 6.448 1.00 0.00 C ATOM 150 O GLN A 6 -16.584 9.184 6.045 1.00 0.00 O ATOM 151 CB GLN A 6 -13.707 9.174 7.922 1.00 0.00 C ATOM 152 CG GLN A 6 -14.632 9.907 8.880 1.00 0.00 C ATOM 153 CD GLN A 6 -13.960 10.247 10.196 1.00 0.00 C ATOM 154 OE1 GLN A 6 -14.421 9.844 11.264 1.00 0.00 O ATOM 155 NE2 GLN A 6 -12.863 10.992 10.125 1.00 0.00 N ATOM 0 HA GLN A 6 -13.561 8.507 5.885 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.565 8.153 8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -12.729 9.655 7.935 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.984 10.825 8.408 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.510 9.291 9.074 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.516 11.304 9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.367 11.252 10.978 1.00 0.00 H new ATOM 164 N HIS A 7 -15.729 7.274 6.872 1.00 0.00 N ATOM 165 CA HIS A 7 -17.012 6.580 6.890 1.00 0.00 C ATOM 166 C HIS A 7 -17.383 6.160 8.309 1.00 0.00 C ATOM 167 O HIS A 7 -16.735 5.298 8.902 1.00 0.00 O ATOM 168 CB HIS A 7 -16.964 5.352 5.979 1.00 0.00 C ATOM 169 CG HIS A 7 -17.064 5.683 4.522 1.00 0.00 C ATOM 170 ND1 HIS A 7 -17.810 6.608 3.873 1.00 0.00 N flip ATOM 171 CD2 HIS A 7 -16.340 5.026 3.550 1.00 0.00 C flip ATOM 172 CE1 HIS A 7 -17.525 6.495 2.535 1.00 0.00 C flip ATOM 173 NE2 HIS A 7 -16.635 5.533 2.366 1.00 0.00 N flip ATOM 0 H HIS A 7 -14.943 6.717 7.208 1.00 0.00 H new ATOM 0 HA HIS A 7 -17.774 7.267 6.522 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.033 4.813 6.158 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.778 4.679 6.247 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -18.462 7.266 4.299 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -15.641 4.222 3.728 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -17.958 7.095 1.748 1.00 0.00 H new ATOM 181 N SER A 8 -18.431 6.777 8.848 1.00 0.00 N ATOM 182 CA SER A 8 -18.885 6.471 10.200 1.00 0.00 C ATOM 183 C SER A 8 -18.749 4.980 10.494 1.00 0.00 C ATOM 184 O SER A 8 -18.297 4.587 11.570 1.00 0.00 O ATOM 185 CB SER A 8 -20.340 6.907 10.382 1.00 0.00 C ATOM 186 OG SER A 8 -20.865 6.434 11.610 1.00 0.00 O ATOM 0 H SER A 8 -18.981 7.491 8.370 1.00 0.00 H new ATOM 0 HA SER A 8 -18.257 7.021 10.901 1.00 0.00 H new ATOM 0 HB2 SER A 8 -20.403 7.995 10.351 1.00 0.00 H new ATOM 0 HB3 SER A 8 -20.942 6.529 9.556 1.00 0.00 H new ATOM 0 HG SER A 8 -21.795 6.728 11.703 1.00 0.00 H new ATOM 192 N HIS A 9 -19.143 4.154 9.530 1.00 0.00 N ATOM 193 CA HIS A 9 -19.065 2.706 9.685 1.00 0.00 C ATOM 194 C HIS A 9 -17.613 2.237 9.677 1.00 0.00 C ATOM 195 O HIS A 9 -17.100 1.752 10.686 1.00 0.00 O ATOM 196 CB HIS A 9 -19.845 2.010 8.569 1.00 0.00 C ATOM 197 CG HIS A 9 -19.522 0.554 8.432 1.00 0.00 C ATOM 198 ND1 HIS A 9 -18.528 -0.073 7.760 1.00 0.00 N flip ATOM 199 CD2 HIS A 9 -20.268 -0.442 9.027 1.00 0.00 C flip ATOM 200 CE1 HIS A 9 -18.689 -1.422 7.961 1.00 0.00 C flip ATOM 201 NE2 HIS A 9 -19.745 -1.618 8.729 1.00 0.00 N flip ATOM 0 H HIS A 9 -19.519 4.463 8.634 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.508 2.443 10.646 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -20.913 2.121 8.759 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.636 2.511 7.624 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -21.143 -0.285 9.641 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.055 -2.197 7.556 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -20.097 -2.524 9.039 1.00 0.00 H new ATOM 209 N CYS A 10 -16.956 2.382 8.531 1.00 0.00 N ATOM 210 CA CYS A 10 -15.564 1.972 8.390 1.00 0.00 C ATOM 211 C CYS A 10 -14.738 2.431 9.588 1.00 0.00 C ATOM 212 O CYS A 10 -14.074 1.627 10.242 1.00 0.00 O ATOM 213 CB CYS A 10 -14.971 2.542 7.100 1.00 0.00 C ATOM 214 SG CYS A 10 -15.982 2.230 5.616 1.00 0.00 S ATOM 0 H CYS A 10 -17.366 2.781 7.686 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.535 0.883 8.346 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -14.839 3.618 7.217 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -13.980 2.114 6.948 1.00 0.00 H new ATOM 0 HG CYS A 10 -16.535 1.057 5.706 1.00 0.00 H new ATOM 219 N VAL A 11 -14.785 3.729 9.870 1.00 0.00 N ATOM 220 CA VAL A 11 -14.042 4.295 10.990 1.00 0.00 C ATOM 221 C VAL A 11 -14.229 3.460 12.251 1.00 0.00 C ATOM 222 O VAL A 11 -13.370 3.447 13.132 1.00 0.00 O ATOM 223 CB VAL A 11 -14.478 5.744 11.277 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.375 6.593 10.019 1.00 0.00 C ATOM 225 CG2 VAL A 11 -15.894 5.774 11.835 1.00 0.00 C ATOM 0 H VAL A 11 -15.330 4.408 9.339 1.00 0.00 H new ATOM 0 HA VAL A 11 -12.989 4.290 10.707 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.807 6.164 12.026 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.687 7.613 10.242 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.343 6.598 9.667 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.020 6.177 9.245 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.186 6.806 12.032 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.580 5.335 11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -15.932 5.203 12.763 1.00 0.00 H new ATOM 235 N ASN A 12 -15.358 2.764 12.332 1.00 0.00 N ATOM 236 CA ASN A 12 -15.659 1.926 13.487 1.00 0.00 C ATOM 237 C ASN A 12 -15.841 0.470 13.069 1.00 0.00 C ATOM 238 O ASN A 12 -16.678 -0.246 13.621 1.00 0.00 O ATOM 239 CB ASN A 12 -16.920 2.427 14.193 1.00 0.00 C ATOM 240 CG ASN A 12 -18.169 2.227 13.358 1.00 0.00 C ATOM 241 OD1 ASN A 12 -18.314 1.216 12.670 1.00 0.00 O ATOM 242 ND2 ASN A 12 -19.079 3.192 13.413 1.00 0.00 N ATOM 0 H ASN A 12 -16.080 2.764 11.611 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.817 1.986 14.177 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.034 1.904 15.142 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.807 3.486 14.424 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -19.940 3.113 12.872 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.917 4.013 13.997 1.00 0.00 H new ATOM 249 N CYS A 13 -15.053 0.037 12.091 1.00 0.00 N ATOM 250 CA CYS A 13 -15.126 -1.333 11.598 1.00 0.00 C ATOM 251 C CYS A 13 -13.755 -2.002 11.645 1.00 0.00 C ATOM 252 O CYS A 13 -12.744 -1.397 11.289 1.00 0.00 O ATOM 253 CB CYS A 13 -15.667 -1.354 10.167 1.00 0.00 C ATOM 254 SG CYS A 13 -15.850 -3.026 9.466 1.00 0.00 S ATOM 0 H CYS A 13 -14.355 0.616 11.624 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.805 -1.890 12.244 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.636 -0.856 10.149 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -14.999 -0.775 9.529 1.00 0.00 H new ATOM 0 HG CYS A 13 -15.923 -2.948 8.170 1.00 0.00 H new ATOM 259 N VAL A 14 -13.730 -3.255 12.087 1.00 0.00 N ATOM 260 CA VAL A 14 -12.484 -4.008 12.180 1.00 0.00 C ATOM 261 C VAL A 14 -12.629 -5.389 11.550 1.00 0.00 C ATOM 262 O VAL A 14 -11.674 -5.932 10.994 1.00 0.00 O ATOM 263 CB VAL A 14 -12.033 -4.168 13.644 1.00 0.00 C ATOM 264 CG1 VAL A 14 -11.743 -2.810 14.265 1.00 0.00 C ATOM 265 CG2 VAL A 14 -13.085 -4.917 14.447 1.00 0.00 C ATOM 0 H VAL A 14 -14.558 -3.770 12.386 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.729 -3.441 11.635 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.113 -4.752 13.660 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.426 -2.943 15.299 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.951 -2.315 13.703 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.644 -2.198 14.238 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.749 -5.021 15.479 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.023 -4.362 14.425 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.238 -5.906 14.014 1.00 0.00 H new ATOM 275 N SER A 15 -13.829 -5.952 11.642 1.00 0.00 N ATOM 276 CA SER A 15 -14.098 -7.272 11.084 1.00 0.00 C ATOM 277 C SER A 15 -13.562 -7.380 9.660 1.00 0.00 C ATOM 278 O SER A 15 -13.939 -6.603 8.782 1.00 0.00 O ATOM 279 CB SER A 15 -15.601 -7.558 11.098 1.00 0.00 C ATOM 280 OG SER A 15 -16.042 -7.907 12.399 1.00 0.00 O ATOM 0 H SER A 15 -14.630 -5.515 12.097 1.00 0.00 H new ATOM 0 HA SER A 15 -13.588 -8.011 11.702 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.145 -6.680 10.750 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.827 -8.368 10.405 1.00 0.00 H new ATOM 0 HG SER A 15 -17.006 -8.083 12.381 1.00 0.00 H new ATOM 286 N ARG A 16 -12.679 -8.349 9.438 1.00 0.00 N ATOM 287 CA ARG A 16 -12.089 -8.558 8.122 1.00 0.00 C ATOM 288 C ARG A 16 -13.157 -8.938 7.101 1.00 0.00 C ATOM 289 O ARG A 16 -13.244 -8.342 6.028 1.00 0.00 O ATOM 290 CB ARG A 16 -11.019 -9.650 8.187 1.00 0.00 C ATOM 291 CG ARG A 16 -9.972 -9.543 7.091 1.00 0.00 C ATOM 292 CD ARG A 16 -8.802 -10.480 7.344 1.00 0.00 C ATOM 293 NE ARG A 16 -7.970 -10.029 8.457 1.00 0.00 N ATOM 294 CZ ARG A 16 -7.168 -10.831 9.148 1.00 0.00 C ATOM 295 NH1 ARG A 16 -7.090 -12.119 8.842 1.00 0.00 N ATOM 296 NH2 ARG A 16 -6.442 -10.345 10.147 1.00 0.00 N ATOM 0 H ARG A 16 -12.357 -9.001 10.153 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.626 -7.623 7.807 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.523 -9.604 9.157 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.502 -10.625 8.122 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.426 -9.778 6.128 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.611 -8.516 7.031 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -9.178 -11.481 7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.194 -10.552 6.442 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.007 -9.044 8.718 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.647 -12.495 8.075 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.473 -12.733 9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.500 -9.355 10.385 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.826 -10.962 10.677 1.00 0.00 H new ATOM 310 N ARG A 17 -13.968 -9.934 7.444 1.00 0.00 N ATOM 311 CA ARG A 17 -15.029 -10.395 6.557 1.00 0.00 C ATOM 312 C ARG A 17 -16.314 -9.605 6.790 1.00 0.00 C ATOM 313 O ARG A 17 -17.408 -10.169 6.804 1.00 0.00 O ATOM 314 CB ARG A 17 -15.290 -11.887 6.771 1.00 0.00 C ATOM 315 CG ARG A 17 -15.736 -12.614 5.513 1.00 0.00 C ATOM 316 CD ARG A 17 -14.550 -13.168 4.739 1.00 0.00 C ATOM 317 NE ARG A 17 -14.915 -14.332 3.937 1.00 0.00 N ATOM 318 CZ ARG A 17 -15.081 -15.549 4.442 1.00 0.00 C ATOM 319 NH1 ARG A 17 -14.916 -15.760 5.740 1.00 0.00 N ATOM 320 NH2 ARG A 17 -15.413 -16.559 3.647 1.00 0.00 N ATOM 0 H ARG A 17 -13.910 -10.437 8.330 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.704 -10.234 5.529 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.381 -12.356 7.148 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.053 -12.007 7.540 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.409 -13.428 5.781 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.300 -11.931 4.877 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.147 -12.392 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.758 -13.442 5.436 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.050 -14.204 2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.661 -14.987 6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.044 -16.696 6.125 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.541 -16.401 2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.540 -17.493 4.036 1.00 0.00 H new ATOM 334 N CYS A 18 -16.172 -8.297 6.974 1.00 0.00 N ATOM 335 CA CYS A 18 -17.320 -7.428 7.207 1.00 0.00 C ATOM 336 C CYS A 18 -18.266 -7.444 6.011 1.00 0.00 C ATOM 337 O CYS A 18 -17.990 -6.831 4.980 1.00 0.00 O ATOM 338 CB CYS A 18 -16.855 -5.997 7.485 1.00 0.00 C ATOM 339 SG CYS A 18 -18.055 -4.717 6.996 1.00 0.00 S ATOM 0 H CYS A 18 -15.273 -7.815 6.966 1.00 0.00 H new ATOM 0 HA CYS A 18 -17.858 -7.804 8.078 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.645 -5.895 8.550 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.918 -5.822 6.957 1.00 0.00 H new ATOM 0 HG CYS A 18 -18.347 -4.854 5.737 1.00 0.00 H new ATOM 344 N MET A 19 -19.384 -8.148 6.156 1.00 0.00 N ATOM 345 CA MET A 19 -20.372 -8.242 5.088 1.00 0.00 C ATOM 346 C MET A 19 -21.487 -7.221 5.287 1.00 0.00 C ATOM 347 O MET A 19 -22.669 -7.545 5.166 1.00 0.00 O ATOM 348 CB MET A 19 -20.961 -9.653 5.031 1.00 0.00 C ATOM 349 CG MET A 19 -21.671 -10.067 6.310 1.00 0.00 C ATOM 350 SD MET A 19 -22.108 -11.816 6.327 1.00 0.00 S ATOM 351 CE MET A 19 -20.484 -12.571 6.366 1.00 0.00 C ATOM 0 H MET A 19 -19.628 -8.662 7.003 1.00 0.00 H new ATOM 0 HA MET A 19 -19.871 -8.027 4.144 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.664 -9.711 4.200 1.00 0.00 H new ATOM 0 HB3 MET A 19 -20.161 -10.364 4.823 1.00 0.00 H new ATOM 0 HG2 MET A 19 -21.030 -9.848 7.164 1.00 0.00 H new ATOM 0 HG3 MET A 19 -22.575 -9.470 6.429 1.00 0.00 H new ATOM 0 HE1 MET A 19 -20.563 -13.583 6.764 1.00 0.00 H new ATOM 0 HE2 MET A 19 -20.076 -12.609 5.356 1.00 0.00 H new ATOM 0 HE3 MET A 19 -19.824 -11.981 7.002 1.00 0.00 H new ATOM 361 N THR A 20 -21.105 -5.986 5.595 1.00 0.00 N ATOM 362 CA THR A 20 -22.072 -4.918 5.813 1.00 0.00 C ATOM 363 C THR A 20 -22.371 -4.174 4.517 1.00 0.00 C ATOM 364 O THR A 20 -21.469 -3.629 3.881 1.00 0.00 O ATOM 365 CB THR A 20 -21.570 -3.911 6.866 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.383 -4.570 8.123 1.00 0.00 O ATOM 367 CG2 THR A 20 -22.555 -2.764 7.030 1.00 0.00 C ATOM 0 H THR A 20 -20.131 -5.700 5.699 1.00 0.00 H new ATOM 0 HA THR A 20 -22.985 -5.388 6.178 1.00 0.00 H new ATOM 0 HB THR A 20 -20.618 -3.505 6.524 1.00 0.00 H new ATOM 0 HG1 THR A 20 -20.441 -4.821 8.224 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.179 -2.066 7.778 1.00 0.00 H new ATOM 0 HG22 THR A 20 -22.673 -2.247 6.078 1.00 0.00 H new ATOM 0 HG23 THR A 20 -23.520 -3.156 7.352 1.00 0.00 H new ATOM 375 N ARG A 21 -23.642 -4.154 4.131 1.00 0.00 N ATOM 376 CA ARG A 21 -24.060 -3.477 2.909 1.00 0.00 C ATOM 377 C ARG A 21 -23.359 -2.128 2.769 1.00 0.00 C ATOM 378 O ARG A 21 -23.488 -1.243 3.615 1.00 0.00 O ATOM 379 CB ARG A 21 -25.577 -3.278 2.903 1.00 0.00 C ATOM 380 CG ARG A 21 -26.117 -2.751 1.584 1.00 0.00 C ATOM 381 CD ARG A 21 -27.609 -3.009 1.450 1.00 0.00 C ATOM 382 NE ARG A 21 -28.270 -1.992 0.638 1.00 0.00 N ATOM 383 CZ ARG A 21 -28.613 -0.793 1.097 1.00 0.00 C ATOM 384 NH1 ARG A 21 -28.357 -0.464 2.356 1.00 0.00 N ATOM 385 NH2 ARG A 21 -29.211 0.079 0.296 1.00 0.00 N ATOM 0 H ARG A 21 -24.401 -4.599 4.647 1.00 0.00 H new ATOM 0 HA ARG A 21 -23.780 -4.104 2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.060 -4.228 3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -25.847 -2.585 3.699 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -25.924 -1.681 1.512 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -25.589 -3.226 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -27.768 -3.990 1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -28.063 -3.033 2.441 1.00 0.00 H new ATOM 0 HE ARG A 21 -28.480 -2.214 -0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -27.896 -1.132 2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -28.621 0.457 2.706 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -29.408 -0.171 -0.673 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -29.474 0.999 0.649 1.00 0.00 H new ATOM 399 N PRO A 22 -22.599 -1.967 1.675 1.00 0.00 N ATOM 400 CA PRO A 22 -21.864 -0.730 1.398 1.00 0.00 C ATOM 401 C PRO A 22 -22.790 0.429 1.045 1.00 0.00 C ATOM 402 O PRO A 22 -23.341 0.482 -0.053 1.00 0.00 O ATOM 403 CB PRO A 22 -20.988 -1.099 0.198 1.00 0.00 C ATOM 404 CG PRO A 22 -21.715 -2.213 -0.472 1.00 0.00 C ATOM 405 CD PRO A 22 -22.401 -2.979 0.625 1.00 0.00 C ATOM 0 HA PRO A 22 -21.300 -0.388 2.266 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.858 -0.250 -0.474 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -19.992 -1.410 0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.438 -1.830 -1.192 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.026 -2.853 -1.023 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.349 -3.400 0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -21.790 -3.810 0.978 1.00 0.00 H new ATOM 413 N GLU A 23 -22.956 1.355 1.984 1.00 0.00 N ATOM 414 CA GLU A 23 -23.816 2.513 1.771 1.00 0.00 C ATOM 415 C GLU A 23 -22.992 3.744 1.404 1.00 0.00 C ATOM 416 O GLU A 23 -21.910 3.981 1.943 1.00 0.00 O ATOM 417 CB GLU A 23 -24.647 2.797 3.024 1.00 0.00 C ATOM 418 CG GLU A 23 -25.459 4.079 2.939 1.00 0.00 C ATOM 419 CD GLU A 23 -26.862 3.847 2.414 1.00 0.00 C ATOM 420 OE1 GLU A 23 -27.297 2.676 2.383 1.00 0.00 O ATOM 421 OE2 GLU A 23 -27.525 4.834 2.034 1.00 0.00 O ATOM 0 H GLU A 23 -22.506 1.326 2.899 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.487 2.287 0.942 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -25.323 1.960 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -23.982 2.855 3.885 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -25.516 4.535 3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -24.945 4.788 2.290 1.00 0.00 H new ATOM 428 N PRO A 24 -23.513 4.547 0.465 1.00 0.00 N ATOM 429 CA PRO A 24 -22.843 5.766 0.004 1.00 0.00 C ATOM 430 C PRO A 24 -22.830 6.858 1.069 1.00 0.00 C ATOM 431 O PRO A 24 -23.735 7.688 1.132 1.00 0.00 O ATOM 432 CB PRO A 24 -23.684 6.202 -1.198 1.00 0.00 C ATOM 433 CG PRO A 24 -25.033 5.622 -0.945 1.00 0.00 C ATOM 434 CD PRO A 24 -24.798 4.326 -0.220 1.00 0.00 C ATOM 0 HA PRO A 24 -21.794 5.589 -0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -23.728 7.288 -1.277 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -23.262 5.831 -2.132 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.643 6.299 -0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -25.567 5.455 -1.880 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.599 4.110 0.487 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -24.746 3.483 -0.909 1.00 0.00 H new ATOM 442 N GLY A 25 -21.796 6.850 1.906 1.00 0.00 N ATOM 443 CA GLY A 25 -21.685 7.845 2.956 1.00 0.00 C ATOM 444 C GLY A 25 -21.465 7.224 4.322 1.00 0.00 C ATOM 445 O GLY A 25 -20.736 7.771 5.150 1.00 0.00 O ATOM 0 H GLY A 25 -21.034 6.172 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.858 8.518 2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -22.592 8.450 2.977 1.00 0.00 H new ATOM 449 N ILE A 26 -22.098 6.080 4.558 1.00 0.00 N ATOM 450 CA ILE A 26 -21.968 5.385 5.833 1.00 0.00 C ATOM 451 C ILE A 26 -20.842 4.357 5.787 1.00 0.00 C ATOM 452 O ILE A 26 -19.917 4.399 6.597 1.00 0.00 O ATOM 453 CB ILE A 26 -23.279 4.677 6.224 1.00 0.00 C ATOM 454 CG1 ILE A 26 -24.328 5.702 6.659 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.025 3.667 7.334 1.00 0.00 C ATOM 456 CD1 ILE A 26 -24.624 6.747 5.606 1.00 0.00 C ATOM 0 H ILE A 26 -22.706 5.615 3.884 1.00 0.00 H new ATOM 0 HA ILE A 26 -21.735 6.141 6.583 1.00 0.00 H new ATOM 0 HB ILE A 26 -23.660 4.143 5.353 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.251 5.180 6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -23.984 6.199 7.566 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -23.961 3.175 7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.308 2.922 6.991 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -22.624 4.180 8.208 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -25.376 7.440 5.983 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -23.711 7.295 5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -24.998 6.260 4.705 1.00 0.00 H new ATOM 468 N SER A 27 -20.927 3.437 4.832 1.00 0.00 N ATOM 469 CA SER A 27 -19.917 2.397 4.681 1.00 0.00 C ATOM 470 C SER A 27 -19.682 2.077 3.207 1.00 0.00 C ATOM 471 O SER A 27 -20.623 2.015 2.416 1.00 0.00 O ATOM 472 CB SER A 27 -20.342 1.131 5.427 1.00 0.00 C ATOM 473 OG SER A 27 -21.255 0.368 4.659 1.00 0.00 O ATOM 0 H SER A 27 -21.685 3.391 4.151 1.00 0.00 H new ATOM 0 HA SER A 27 -18.985 2.766 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 27 -19.463 0.528 5.657 1.00 0.00 H new ATOM 0 HB3 SER A 27 -20.800 1.402 6.378 1.00 0.00 H new ATOM 0 HG SER A 27 -21.510 -0.436 5.158 1.00 0.00 H new ATOM 479 N CYS A 28 -18.419 1.875 2.846 1.00 0.00 N ATOM 480 CA CYS A 28 -18.058 1.562 1.469 1.00 0.00 C ATOM 481 C CYS A 28 -17.775 0.071 1.306 1.00 0.00 C ATOM 482 O CYS A 28 -17.626 -0.654 2.289 1.00 0.00 O ATOM 483 CB CYS A 28 -16.834 2.374 1.043 1.00 0.00 C ATOM 484 SG CYS A 28 -15.339 2.038 2.029 1.00 0.00 S ATOM 0 H CYS A 28 -17.628 1.923 3.489 1.00 0.00 H new ATOM 0 HA CYS A 28 -18.901 1.826 0.830 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -16.620 2.165 -0.005 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.072 3.435 1.114 1.00 0.00 H new ATOM 0 HG CYS A 28 -15.626 2.121 3.294 1.00 0.00 H new ATOM 489 N ASP A 29 -17.702 -0.378 0.058 1.00 0.00 N ATOM 490 CA ASP A 29 -17.435 -1.782 -0.235 1.00 0.00 C ATOM 491 C ASP A 29 -15.988 -2.139 0.092 1.00 0.00 C ATOM 492 O ASP A 29 -15.083 -1.321 -0.072 1.00 0.00 O ATOM 493 CB ASP A 29 -17.728 -2.083 -1.706 1.00 0.00 C ATOM 494 CG ASP A 29 -18.883 -1.262 -2.245 1.00 0.00 C ATOM 495 OD1 ASP A 29 -18.793 -0.017 -2.213 1.00 0.00 O ATOM 496 OD2 ASP A 29 -19.877 -1.866 -2.701 1.00 0.00 O ATOM 0 H ASP A 29 -17.824 0.209 -0.767 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.090 -2.389 0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.836 -1.883 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.955 -3.143 -1.819 1.00 0.00 H new ATOM 501 N LEU A 30 -15.778 -3.366 0.556 1.00 0.00 N ATOM 502 CA LEU A 30 -14.441 -3.833 0.907 1.00 0.00 C ATOM 503 C LEU A 30 -13.656 -4.225 -0.341 1.00 0.00 C ATOM 504 O LEU A 30 -14.216 -4.772 -1.292 1.00 0.00 O ATOM 505 CB LEU A 30 -14.530 -5.024 1.862 1.00 0.00 C ATOM 506 CG LEU A 30 -14.621 -4.685 3.351 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.284 -5.819 4.117 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.239 -4.392 3.916 1.00 0.00 C ATOM 0 H LEU A 30 -16.516 -4.055 0.698 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.916 -3.016 1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.403 -5.617 1.591 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.655 -5.655 1.706 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.234 -3.791 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.340 -5.560 5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.290 -5.981 3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.698 -6.730 3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.323 -4.153 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.602 -5.267 3.791 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -12.801 -3.546 3.387 1.00 0.00 H new ATOM 520 N ILE A 31 -12.358 -3.944 -0.329 1.00 0.00 N ATOM 521 CA ILE A 31 -11.495 -4.271 -1.458 1.00 0.00 C ATOM 522 C ILE A 31 -10.171 -4.860 -0.986 1.00 0.00 C ATOM 523 O ILE A 31 -9.511 -4.307 -0.106 1.00 0.00 O ATOM 524 CB ILE A 31 -11.212 -3.031 -2.327 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.574 -1.925 -1.484 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.496 -2.535 -2.977 1.00 0.00 C ATOM 527 CD1 ILE A 31 -9.074 -2.061 -1.345 1.00 0.00 C ATOM 0 H ILE A 31 -11.880 -3.491 0.450 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.026 -5.011 -2.057 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.513 -3.310 -3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.803 -0.959 -1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.025 -1.930 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.280 -1.658 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.913 -3.322 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.216 -2.269 -2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.689 -1.243 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.838 -3.012 -0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.612 -2.026 -2.332 1.00 0.00 H new ATOM 539 N GLY A 32 -9.785 -5.986 -1.578 1.00 0.00 N ATOM 540 CA GLY A 32 -8.540 -6.631 -1.206 1.00 0.00 C ATOM 541 C GLY A 32 -7.333 -5.749 -1.457 1.00 0.00 C ATOM 542 O GLY A 32 -7.321 -4.952 -2.395 1.00 0.00 O ATOM 0 H GLY A 32 -10.313 -6.463 -2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.576 -6.901 -0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.432 -7.558 -1.769 1.00 0.00 H new ATOM 546 N CYS A 33 -6.313 -5.891 -0.616 1.00 0.00 N ATOM 547 CA CYS A 33 -5.096 -5.100 -0.750 1.00 0.00 C ATOM 548 C CYS A 33 -4.504 -5.244 -2.149 1.00 0.00 C ATOM 549 O CYS A 33 -4.395 -6.343 -2.693 1.00 0.00 O ATOM 550 CB CYS A 33 -4.067 -5.528 0.298 1.00 0.00 C ATOM 551 SG CYS A 33 -2.600 -4.451 0.384 1.00 0.00 S ATOM 0 H CYS A 33 -6.306 -6.547 0.165 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.354 -4.053 -0.590 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.547 -5.548 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.745 -6.546 0.080 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.813 -3.495 1.239 1.00 0.00 H new ATOM 556 N PRO A 34 -4.112 -4.109 -2.745 1.00 0.00 N ATOM 557 CA PRO A 34 -3.523 -4.082 -4.087 1.00 0.00 C ATOM 558 C PRO A 34 -2.128 -4.697 -4.121 1.00 0.00 C ATOM 559 O PRO A 34 -1.533 -4.853 -5.188 1.00 0.00 O ATOM 560 CB PRO A 34 -3.457 -2.588 -4.416 1.00 0.00 C ATOM 561 CG PRO A 34 -3.400 -1.911 -3.091 1.00 0.00 C ATOM 562 CD PRO A 34 -4.212 -2.763 -2.155 1.00 0.00 C ATOM 0 HA PRO A 34 -4.107 -4.664 -4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.579 -2.354 -5.018 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.329 -2.269 -4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.371 -1.821 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.806 -0.901 -3.151 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.813 -2.738 -1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.247 -2.425 -2.099 1.00 0.00 H new ATOM 570 N LEU A 35 -1.612 -5.045 -2.948 1.00 0.00 N ATOM 571 CA LEU A 35 -0.286 -5.644 -2.843 1.00 0.00 C ATOM 572 C LEU A 35 -0.379 -7.100 -2.399 1.00 0.00 C ATOM 573 O LEU A 35 0.601 -7.683 -1.937 1.00 0.00 O ATOM 574 CB LEU A 35 0.576 -4.853 -1.857 1.00 0.00 C ATOM 575 CG LEU A 35 0.873 -3.402 -2.239 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.476 -2.653 -1.061 1.00 0.00 C ATOM 577 CD2 LEU A 35 1.804 -3.347 -3.441 1.00 0.00 C ATOM 0 H LEU A 35 -2.091 -4.923 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 35 0.178 -5.613 -3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.080 -4.858 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.524 -5.376 -1.733 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.066 -2.918 -2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.681 -1.623 -1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.775 -2.662 -0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.405 -3.136 -0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.004 -2.307 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.741 -3.848 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.334 -3.847 -4.288 1.00 0.00 H new ATOM 589 N VAL A 36 -1.565 -7.682 -2.545 1.00 0.00 N ATOM 590 CA VAL A 36 -1.787 -9.072 -2.163 1.00 0.00 C ATOM 591 C VAL A 36 -1.108 -9.391 -0.835 1.00 0.00 C ATOM 592 O VAL A 36 -0.608 -10.498 -0.632 1.00 0.00 O ATOM 593 CB VAL A 36 -1.264 -10.041 -3.240 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.895 -9.730 -4.589 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.253 -9.975 -3.324 1.00 0.00 C ATOM 0 H VAL A 36 -2.387 -7.213 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.864 -9.204 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.545 -11.056 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.514 -10.424 -5.338 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.978 -9.833 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.646 -8.710 -4.881 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.605 -10.666 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.559 -8.961 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.683 -10.251 -2.361 1.00 0.00 H new ATOM 605 N CYS A 37 -1.096 -8.415 0.066 1.00 0.00 N ATOM 606 CA CYS A 37 -0.479 -8.591 1.375 1.00 0.00 C ATOM 607 C CYS A 37 -1.224 -9.644 2.191 1.00 0.00 C ATOM 608 O CYS A 37 -0.661 -10.254 3.099 1.00 0.00 O ATOM 609 CB CYS A 37 -0.458 -7.263 2.135 1.00 0.00 C ATOM 610 SG CYS A 37 -1.962 -6.941 3.111 1.00 0.00 S ATOM 0 H CYS A 37 -1.507 -7.494 -0.086 1.00 0.00 H new ATOM 0 HA CYS A 37 0.545 -8.932 1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.404 -7.252 2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.320 -6.451 1.422 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.125 -5.658 3.247 1.00 0.00 H new ATOM 615 N GLY A 38 -2.495 -9.852 1.859 1.00 0.00 N ATOM 616 CA GLY A 38 -3.296 -10.832 2.569 1.00 0.00 C ATOM 617 C GLY A 38 -4.155 -10.205 3.649 1.00 0.00 C ATOM 618 O GLY A 38 -4.152 -10.657 4.794 1.00 0.00 O ATOM 0 H GLY A 38 -2.984 -9.359 1.111 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.935 -11.357 1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.639 -11.577 3.018 1.00 0.00 H new ATOM 622 N ALA A 39 -4.891 -9.160 3.286 1.00 0.00 N ATOM 623 CA ALA A 39 -5.758 -8.470 4.232 1.00 0.00 C ATOM 624 C ALA A 39 -6.944 -7.826 3.522 1.00 0.00 C ATOM 625 O ALA A 39 -6.836 -7.402 2.372 1.00 0.00 O ATOM 626 CB ALA A 39 -4.970 -7.422 5.004 1.00 0.00 C ATOM 0 H ALA A 39 -4.904 -8.773 2.343 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.146 -9.207 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.631 -6.915 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.161 -7.905 5.551 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.553 -6.694 4.308 1.00 0.00 H new ATOM 632 N VAL A 40 -8.077 -7.757 4.215 1.00 0.00 N ATOM 633 CA VAL A 40 -9.283 -7.164 3.650 1.00 0.00 C ATOM 634 C VAL A 40 -9.702 -5.923 4.429 1.00 0.00 C ATOM 635 O VAL A 40 -10.038 -6.003 5.611 1.00 0.00 O ATOM 636 CB VAL A 40 -10.450 -8.169 3.640 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.682 -7.551 2.997 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.047 -9.447 2.919 1.00 0.00 C ATOM 0 H VAL A 40 -8.184 -8.104 5.168 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.047 -6.882 2.624 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.696 -8.423 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.496 -8.276 2.999 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.982 -6.667 3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.452 -7.266 1.970 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.884 -10.146 2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.773 -9.213 1.890 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.196 -9.899 3.428 1.00 0.00 H new ATOM 648 N PHE A 41 -9.681 -4.776 3.760 1.00 0.00 N ATOM 649 CA PHE A 41 -10.059 -3.516 4.389 1.00 0.00 C ATOM 650 C PHE A 41 -10.989 -2.713 3.485 1.00 0.00 C ATOM 651 O PHE A 41 -11.130 -3.011 2.298 1.00 0.00 O ATOM 652 CB PHE A 41 -8.812 -2.692 4.718 1.00 0.00 C ATOM 653 CG PHE A 41 -7.692 -2.881 3.736 1.00 0.00 C ATOM 654 CD1 PHE A 41 -6.746 -3.875 3.927 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.585 -2.065 2.621 1.00 0.00 C ATOM 656 CE1 PHE A 41 -5.714 -4.053 3.025 1.00 0.00 C ATOM 657 CE2 PHE A 41 -6.556 -2.238 1.715 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.618 -3.232 1.918 1.00 0.00 C ATOM 0 H PHE A 41 -9.406 -4.693 2.781 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.589 -3.745 5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.082 -1.636 4.750 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.461 -2.962 5.714 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -6.816 -4.519 4.791 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.314 -1.285 2.458 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.984 -4.833 3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.485 -1.597 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.811 -3.367 1.213 1.00 0.00 H new ATOM 668 N HIS A 42 -11.623 -1.692 4.054 1.00 0.00 N ATOM 669 CA HIS A 42 -12.540 -0.845 3.300 1.00 0.00 C ATOM 670 C HIS A 42 -11.779 0.039 2.317 1.00 0.00 C ATOM 671 O HIS A 42 -10.793 0.680 2.680 1.00 0.00 O ATOM 672 CB HIS A 42 -13.366 0.021 4.251 1.00 0.00 C ATOM 673 CG HIS A 42 -14.553 -0.687 4.829 1.00 0.00 C ATOM 674 ND1 HIS A 42 -15.730 -0.873 4.136 1.00 0.00 N ATOM 675 CD2 HIS A 42 -14.738 -1.257 6.043 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.589 -1.526 4.898 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.011 -1.771 6.060 1.00 0.00 N ATOM 0 H HIS A 42 -11.518 -1.432 5.035 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.211 -1.491 2.734 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -12.727 0.364 5.064 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -13.707 0.908 3.717 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -15.910 -0.556 3.183 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.019 -1.299 6.848 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.593 -1.811 4.619 1.00 0.00 H new ATOM 685 N SER A 43 -12.245 0.069 1.073 1.00 0.00 N ATOM 686 CA SER A 43 -11.605 0.872 0.037 1.00 0.00 C ATOM 687 C SER A 43 -11.026 2.155 0.624 1.00 0.00 C ATOM 688 O SER A 43 -9.909 2.554 0.293 1.00 0.00 O ATOM 689 CB SER A 43 -12.608 1.211 -1.068 1.00 0.00 C ATOM 690 OG SER A 43 -13.565 2.153 -0.616 1.00 0.00 O ATOM 0 H SER A 43 -13.063 -0.453 0.758 1.00 0.00 H new ATOM 0 HA SER A 43 -10.790 0.287 -0.389 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.079 1.611 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.114 0.303 -1.396 1.00 0.00 H new ATOM 0 HG SER A 43 -13.951 1.846 0.231 1.00 0.00 H new ATOM 696 N CYS A 44 -11.793 2.798 1.498 1.00 0.00 N ATOM 697 CA CYS A 44 -11.359 4.036 2.132 1.00 0.00 C ATOM 698 C CYS A 44 -10.241 3.770 3.136 1.00 0.00 C ATOM 699 O CYS A 44 -9.230 4.473 3.158 1.00 0.00 O ATOM 700 CB CYS A 44 -12.537 4.716 2.833 1.00 0.00 C ATOM 701 SG CYS A 44 -13.000 3.951 4.420 1.00 0.00 S ATOM 0 H CYS A 44 -12.720 2.481 1.783 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.977 4.698 1.355 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.288 5.763 3.006 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -13.401 4.699 2.168 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.048 3.201 4.251 1.00 0.00 H new ATOM 706 N LYS A 45 -10.429 2.750 3.966 1.00 0.00 N ATOM 707 CA LYS A 45 -9.438 2.388 4.972 1.00 0.00 C ATOM 708 C LYS A 45 -8.099 2.056 4.321 1.00 0.00 C ATOM 709 O LYS A 45 -7.040 2.378 4.859 1.00 0.00 O ATOM 710 CB LYS A 45 -9.928 1.194 5.794 1.00 0.00 C ATOM 711 CG LYS A 45 -11.024 1.546 6.785 1.00 0.00 C ATOM 712 CD LYS A 45 -10.470 2.290 7.989 1.00 0.00 C ATOM 713 CE LYS A 45 -11.401 2.182 9.187 1.00 0.00 C ATOM 714 NZ LYS A 45 -10.808 2.797 10.407 1.00 0.00 N ATOM 0 H LYS A 45 -11.260 2.159 3.962 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.299 3.243 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.296 0.424 5.116 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.084 0.766 6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.778 2.160 6.292 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.522 0.635 7.117 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.492 1.886 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.324 3.340 7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.347 2.671 8.957 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.624 1.133 9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.473 2.703 11.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.918 2.314 10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.619 3.804 10.231 1.00 0.00 H new ATOM 728 N ALA A 46 -8.154 1.411 3.161 1.00 0.00 N ATOM 729 CA ALA A 46 -6.946 1.038 2.435 1.00 0.00 C ATOM 730 C ALA A 46 -5.846 2.076 2.632 1.00 0.00 C ATOM 731 O ALA A 46 -4.692 1.731 2.888 1.00 0.00 O ATOM 732 CB ALA A 46 -7.251 0.864 0.955 1.00 0.00 C ATOM 0 H ALA A 46 -9.023 1.136 2.703 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.590 0.088 2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.340 0.586 0.426 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.998 0.081 0.827 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.634 1.801 0.550 1.00 0.00 H new ATOM 738 N ASP A 47 -6.210 3.348 2.509 1.00 0.00 N ATOM 739 CA ASP A 47 -5.253 4.436 2.674 1.00 0.00 C ATOM 740 C ASP A 47 -4.519 4.317 4.006 1.00 0.00 C ATOM 741 O ASP A 47 -3.292 4.389 4.057 1.00 0.00 O ATOM 742 CB ASP A 47 -5.966 5.787 2.589 1.00 0.00 C ATOM 743 CG ASP A 47 -6.068 6.299 1.166 1.00 0.00 C ATOM 744 OD1 ASP A 47 -6.343 5.484 0.260 1.00 0.00 O ATOM 745 OD2 ASP A 47 -5.874 7.515 0.958 1.00 0.00 O ATOM 0 H ASP A 47 -7.160 3.651 2.296 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.521 4.369 1.869 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.967 5.694 3.011 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.430 6.516 3.197 1.00 0.00 H new ATOM 750 N GLU A 48 -5.280 4.137 5.081 1.00 0.00 N ATOM 751 CA GLU A 48 -4.700 4.010 6.413 1.00 0.00 C ATOM 752 C GLU A 48 -4.059 2.638 6.600 1.00 0.00 C ATOM 753 O GLU A 48 -3.078 2.492 7.330 1.00 0.00 O ATOM 754 CB GLU A 48 -5.771 4.235 7.483 1.00 0.00 C ATOM 755 CG GLU A 48 -6.680 3.037 7.695 1.00 0.00 C ATOM 756 CD GLU A 48 -7.376 3.064 9.042 1.00 0.00 C ATOM 757 OE1 GLU A 48 -8.088 4.052 9.321 1.00 0.00 O ATOM 758 OE2 GLU A 48 -7.210 2.099 9.817 1.00 0.00 O ATOM 0 H GLU A 48 -6.298 4.076 5.056 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.926 4.770 6.518 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.284 4.482 8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -6.378 5.096 7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.429 3.009 6.904 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.094 2.122 7.611 1.00 0.00 H new ATOM 765 N HIS A 49 -4.622 1.633 5.936 1.00 0.00 N ATOM 766 CA HIS A 49 -4.107 0.272 6.028 1.00 0.00 C ATOM 767 C HIS A 49 -2.650 0.211 5.579 1.00 0.00 C ATOM 768 O HIS A 49 -1.788 -0.287 6.303 1.00 0.00 O ATOM 769 CB HIS A 49 -4.954 -0.675 5.178 1.00 0.00 C ATOM 770 CG HIS A 49 -4.264 -1.963 4.847 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.223 -3.038 5.709 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.586 -2.345 3.739 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.549 -4.025 5.147 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.151 -3.630 3.951 1.00 0.00 N ATOM 0 H HIS A 49 -5.435 1.736 5.329 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.161 -0.041 7.071 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.881 -0.895 5.708 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.228 -0.171 4.251 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.647 -3.067 6.636 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.419 -1.750 2.853 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.356 -4.991 5.590 1.00 0.00 H new ATOM 782 N ARG A 50 -2.383 0.720 4.381 1.00 0.00 N ATOM 783 CA ARG A 50 -1.031 0.722 3.835 1.00 0.00 C ATOM 784 C ARG A 50 -0.003 0.993 4.930 1.00 0.00 C ATOM 785 O ARG A 50 0.985 0.269 5.063 1.00 0.00 O ATOM 786 CB ARG A 50 -0.905 1.773 2.731 1.00 0.00 C ATOM 787 CG ARG A 50 -1.313 1.266 1.358 1.00 0.00 C ATOM 788 CD ARG A 50 -0.985 2.277 0.270 1.00 0.00 C ATOM 789 NE ARG A 50 -1.410 1.819 -1.049 1.00 0.00 N ATOM 790 CZ ARG A 50 -1.660 2.636 -2.066 1.00 0.00 C ATOM 791 NH1 ARG A 50 -1.528 3.947 -1.915 1.00 0.00 N ATOM 792 NH2 ARG A 50 -2.043 2.143 -3.237 1.00 0.00 N ATOM 0 H ARG A 50 -3.085 1.137 3.770 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.835 -0.264 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.521 2.634 2.989 1.00 0.00 H new ATOM 0 HB3 ARG A 50 0.127 2.121 2.688 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.801 0.326 1.149 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -2.382 1.055 1.350 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.471 3.226 0.498 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.089 2.463 0.260 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.521 0.816 -1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.234 4.330 -1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.721 4.572 -2.697 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.146 1.135 -3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -2.235 2.772 -4.017 1.00 0.00 H new ATOM 806 N LEU A 51 -0.242 2.040 5.712 1.00 0.00 N ATOM 807 CA LEU A 51 0.663 2.408 6.796 1.00 0.00 C ATOM 808 C LEU A 51 1.178 1.168 7.520 1.00 0.00 C ATOM 809 O LEU A 51 2.380 1.024 7.750 1.00 0.00 O ATOM 810 CB LEU A 51 -0.046 3.333 7.786 1.00 0.00 C ATOM 811 CG LEU A 51 -0.687 4.588 7.192 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.685 5.190 8.168 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.380 5.607 6.820 1.00 0.00 C ATOM 0 H LEU A 51 -1.054 2.649 5.616 1.00 0.00 H new ATOM 0 HA LEU A 51 1.515 2.933 6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.821 2.761 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.674 3.641 8.544 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.222 4.305 6.285 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.131 6.082 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.467 4.462 8.384 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.173 5.458 9.092 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.094 6.493 6.399 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.943 5.885 7.711 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.056 5.173 6.084 1.00 0.00 H new ATOM 825 N LEU A 52 0.262 0.274 7.875 1.00 0.00 N ATOM 826 CA LEU A 52 0.623 -0.956 8.571 1.00 0.00 C ATOM 827 C LEU A 52 0.996 -2.054 7.580 1.00 0.00 C ATOM 828 O LEU A 52 1.926 -2.827 7.813 1.00 0.00 O ATOM 829 CB LEU A 52 -0.534 -1.424 9.455 1.00 0.00 C ATOM 830 CG LEU A 52 -1.216 -0.344 10.295 1.00 0.00 C ATOM 831 CD1 LEU A 52 -2.324 0.330 9.501 1.00 0.00 C ATOM 832 CD2 LEU A 52 -1.766 -0.938 11.584 1.00 0.00 C ATOM 0 H LEU A 52 -0.736 0.378 7.692 1.00 0.00 H new ATOM 0 HA LEU A 52 1.490 -0.748 9.198 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.286 -1.890 8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.162 -2.198 10.127 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.473 0.410 10.554 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.798 1.096 10.115 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.903 0.791 8.608 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.067 -0.413 9.210 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.248 -0.155 12.169 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.494 -1.713 11.346 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.950 -1.372 12.162 1.00 0.00 H new ATOM 844 N CYS A 53 0.267 -2.115 6.471 1.00 0.00 N ATOM 845 CA CYS A 53 0.521 -3.116 5.442 1.00 0.00 C ATOM 846 C CYS A 53 2.009 -3.444 5.358 1.00 0.00 C ATOM 847 O CYS A 53 2.840 -2.597 5.029 1.00 0.00 O ATOM 848 CB CYS A 53 0.020 -2.620 4.084 1.00 0.00 C ATOM 849 SG CYS A 53 0.132 -3.859 2.752 1.00 0.00 S ATOM 0 H CYS A 53 -0.505 -1.482 6.262 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.019 -4.024 5.712 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.018 -2.304 4.185 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.595 -1.740 3.796 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.973 -3.861 2.067 1.00 0.00 H new ATOM 854 N PRO A 54 2.355 -4.703 5.663 1.00 0.00 N ATOM 855 CA PRO A 54 3.744 -5.173 5.629 1.00 0.00 C ATOM 856 C PRO A 54 4.291 -5.263 4.208 1.00 0.00 C ATOM 857 O PRO A 54 5.444 -5.641 3.999 1.00 0.00 O ATOM 858 CB PRO A 54 3.662 -6.565 6.260 1.00 0.00 C ATOM 859 CG PRO A 54 2.261 -7.010 6.017 1.00 0.00 C ATOM 860 CD PRO A 54 1.418 -5.766 6.064 1.00 0.00 C ATOM 0 HA PRO A 54 4.418 -4.493 6.150 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.379 -7.249 5.805 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.887 -6.530 7.326 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.171 -7.506 5.051 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.942 -7.726 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.569 -5.830 5.384 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.015 -5.591 7.062 1.00 0.00 H new ATOM 868 N PHE A 55 3.457 -4.912 3.235 1.00 0.00 N ATOM 869 CA PHE A 55 3.857 -4.954 1.833 1.00 0.00 C ATOM 870 C PHE A 55 4.163 -3.552 1.313 1.00 0.00 C ATOM 871 O PHE A 55 5.196 -3.325 0.684 1.00 0.00 O ATOM 872 CB PHE A 55 2.757 -5.596 0.985 1.00 0.00 C ATOM 873 CG PHE A 55 2.732 -7.095 1.072 1.00 0.00 C ATOM 874 CD1 PHE A 55 2.798 -7.733 2.300 1.00 0.00 C ATOM 875 CD2 PHE A 55 2.641 -7.867 -0.075 1.00 0.00 C ATOM 876 CE1 PHE A 55 2.776 -9.112 2.383 1.00 0.00 C ATOM 877 CE2 PHE A 55 2.618 -9.247 0.001 1.00 0.00 C ATOM 878 CZ PHE A 55 2.684 -9.870 1.232 1.00 0.00 C ATOM 0 H PHE A 55 2.500 -4.595 3.391 1.00 0.00 H new ATOM 0 HA PHE A 55 4.762 -5.557 1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.790 -5.205 1.302 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.894 -5.303 -0.056 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.867 -7.145 3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.587 -7.385 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.831 -9.597 3.347 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.549 -9.837 -0.901 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.664 -10.948 1.294 1.00 0.00 H new ATOM 888 N GLU A 56 3.257 -2.617 1.581 1.00 0.00 N ATOM 889 CA GLU A 56 3.429 -1.239 1.139 1.00 0.00 C ATOM 890 C GLU A 56 4.900 -0.835 1.176 1.00 0.00 C ATOM 891 O GLU A 56 5.655 -1.282 2.040 1.00 0.00 O ATOM 892 CB GLU A 56 2.607 -0.292 2.016 1.00 0.00 C ATOM 893 CG GLU A 56 3.266 0.032 3.346 1.00 0.00 C ATOM 894 CD GLU A 56 2.930 1.426 3.839 1.00 0.00 C ATOM 895 OE1 GLU A 56 2.604 2.291 2.999 1.00 0.00 O ATOM 896 OE2 GLU A 56 2.993 1.652 5.066 1.00 0.00 O ATOM 0 H GLU A 56 2.397 -2.789 2.102 1.00 0.00 H new ATOM 0 HA GLU A 56 3.076 -1.168 0.110 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.433 0.636 1.471 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.631 -0.739 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.951 -0.699 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.347 -0.063 3.244 1.00 0.00 H new ATOM 903 N ARG A 57 5.299 0.011 0.233 1.00 0.00 N ATOM 904 CA ARG A 57 6.680 0.474 0.156 1.00 0.00 C ATOM 905 C ARG A 57 7.037 1.325 1.371 1.00 0.00 C ATOM 906 O ARG A 57 6.323 2.268 1.713 1.00 0.00 O ATOM 907 CB ARG A 57 6.899 1.280 -1.126 1.00 0.00 C ATOM 908 CG ARG A 57 8.329 1.765 -1.303 1.00 0.00 C ATOM 909 CD ARG A 57 8.623 2.113 -2.754 1.00 0.00 C ATOM 910 NE ARG A 57 8.435 0.969 -3.641 1.00 0.00 N ATOM 911 CZ ARG A 57 9.320 -0.013 -3.772 1.00 0.00 C ATOM 912 NH1 ARG A 57 10.449 0.010 -3.076 1.00 0.00 N ATOM 913 NH2 ARG A 57 9.078 -1.021 -4.600 1.00 0.00 N ATOM 0 H ARG A 57 4.686 0.390 -0.489 1.00 0.00 H new ATOM 0 HA ARG A 57 7.330 -0.401 0.143 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.624 0.665 -1.983 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.230 2.141 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.498 2.641 -0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.021 0.993 -0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.971 2.928 -3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.648 2.473 -2.840 1.00 0.00 H new ATOM 0 HE ARG A 57 7.577 0.921 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.639 0.783 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.127 -0.745 -3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.211 -1.043 -5.137 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.759 -1.774 -4.699 1.00 0.00 H new ATOM 927 N VAL A 58 8.145 0.984 2.021 1.00 0.00 N ATOM 928 CA VAL A 58 8.598 1.716 3.198 1.00 0.00 C ATOM 929 C VAL A 58 10.116 1.845 3.215 1.00 0.00 C ATOM 930 O VAL A 58 10.843 0.981 2.723 1.00 0.00 O ATOM 931 CB VAL A 58 8.137 1.030 4.497 1.00 0.00 C ATOM 932 CG1 VAL A 58 6.628 0.838 4.494 1.00 0.00 C ATOM 933 CG2 VAL A 58 8.851 -0.301 4.678 1.00 0.00 C ATOM 0 H VAL A 58 8.746 0.205 1.752 1.00 0.00 H new ATOM 0 HA VAL A 58 8.153 2.710 3.143 1.00 0.00 H new ATOM 0 HB VAL A 58 8.395 1.673 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.321 0.352 5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.138 1.808 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.342 0.216 3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.513 -0.772 5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 58 8.625 -0.953 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 58 9.927 -0.133 4.729 1.00 0.00 H new ATOM 943 N PRO A 59 10.610 2.949 3.795 1.00 0.00 N ATOM 944 CA PRO A 59 12.048 3.217 3.892 1.00 0.00 C ATOM 945 C PRO A 59 12.750 2.274 4.863 1.00 0.00 C ATOM 946 O PRO A 59 12.172 1.860 5.869 1.00 0.00 O ATOM 947 CB PRO A 59 12.107 4.657 4.408 1.00 0.00 C ATOM 948 CG PRO A 59 10.820 4.852 5.133 1.00 0.00 C ATOM 949 CD PRO A 59 9.803 4.020 4.402 1.00 0.00 C ATOM 0 HA PRO A 59 12.555 3.070 2.938 1.00 0.00 H new ATOM 0 HB2 PRO A 59 12.961 4.806 5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.211 5.368 3.588 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.906 4.538 6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.532 5.903 5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.049 3.620 5.080 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.275 4.603 3.647 1.00 0.00 H new ATOM 957 N CYS A 60 13.998 1.937 4.557 1.00 0.00 N ATOM 958 CA CYS A 60 14.779 1.043 5.402 1.00 0.00 C ATOM 959 C CYS A 60 14.705 1.474 6.864 1.00 0.00 C ATOM 960 O CYS A 60 14.872 2.651 7.186 1.00 0.00 O ATOM 961 CB CYS A 60 16.237 1.015 4.941 1.00 0.00 C ATOM 962 SG CYS A 60 17.374 0.212 6.117 1.00 0.00 S ATOM 0 H CYS A 60 14.491 2.270 3.728 1.00 0.00 H new ATOM 0 HA CYS A 60 14.358 0.041 5.314 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.294 0.496 3.984 1.00 0.00 H new ATOM 0 HB3 CYS A 60 16.572 2.038 4.769 1.00 0.00 H new ATOM 0 HG CYS A 60 18.407 0.976 6.312 1.00 0.00 H new ATOM 967 N LEU A 61 14.452 0.513 7.746 1.00 0.00 N ATOM 968 CA LEU A 61 14.356 0.792 9.175 1.00 0.00 C ATOM 969 C LEU A 61 15.420 1.795 9.607 1.00 0.00 C ATOM 970 O LEU A 61 15.139 2.729 10.356 1.00 0.00 O ATOM 971 CB LEU A 61 14.502 -0.502 9.978 1.00 0.00 C ATOM 972 CG LEU A 61 13.291 -1.436 9.974 1.00 0.00 C ATOM 973 CD1 LEU A 61 13.670 -2.803 10.520 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.151 -0.833 10.781 1.00 0.00 C ATOM 0 H LEU A 61 14.310 -0.466 7.497 1.00 0.00 H new ATOM 0 HA LEU A 61 13.375 1.225 9.370 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.360 -1.051 9.591 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.731 -0.241 11.011 1.00 0.00 H new ATOM 0 HG LEU A 61 12.954 -1.560 8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.796 -3.454 10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.454 -3.238 9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 61 14.032 -2.699 11.543 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.297 -1.511 10.768 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.476 -0.679 11.810 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.862 0.123 10.344 1.00 0.00 H new ATOM 986 N ASN A 62 16.644 1.596 9.127 1.00 0.00 N ATOM 987 CA ASN A 62 17.750 2.484 9.463 1.00 0.00 C ATOM 988 C ASN A 62 17.746 3.720 8.568 1.00 0.00 C ATOM 989 O ASN A 62 18.798 4.184 8.128 1.00 0.00 O ATOM 990 CB ASN A 62 19.084 1.746 9.326 1.00 0.00 C ATOM 991 CG ASN A 62 19.187 0.561 10.266 1.00 0.00 C ATOM 992 OD1 ASN A 62 18.830 0.653 11.441 1.00 0.00 O ATOM 993 ND2 ASN A 62 19.678 -0.561 9.752 1.00 0.00 N ATOM 0 H ASN A 62 16.894 0.828 8.504 1.00 0.00 H new ATOM 0 HA ASN A 62 17.624 2.805 10.497 1.00 0.00 H new ATOM 0 HB2 ASN A 62 19.202 1.403 8.298 1.00 0.00 H new ATOM 0 HB3 ASN A 62 19.902 2.438 9.527 1.00 0.00 H new ATOM 0 HD21 ASN A 62 19.772 -1.392 10.337 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.961 -0.592 8.773 1.00 0.00 H new ATOM 1000 N SER A 63 16.556 4.248 8.303 1.00 0.00 N ATOM 1001 CA SER A 63 16.414 5.428 7.458 1.00 0.00 C ATOM 1002 C SER A 63 17.182 6.610 8.042 1.00 0.00 C ATOM 1003 O SER A 63 17.895 7.315 7.329 1.00 0.00 O ATOM 1004 CB SER A 63 14.937 5.793 7.300 1.00 0.00 C ATOM 1005 OG SER A 63 14.388 6.245 8.526 1.00 0.00 O ATOM 0 H SER A 63 15.676 3.877 8.661 1.00 0.00 H new ATOM 0 HA SER A 63 16.830 5.195 6.478 1.00 0.00 H new ATOM 0 HB2 SER A 63 14.830 6.569 6.542 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.381 4.925 6.947 1.00 0.00 H new ATOM 0 HG SER A 63 13.444 6.473 8.397 1.00 0.00 H new ATOM 1011 N ASP A 64 17.029 6.820 9.345 1.00 0.00 N ATOM 1012 CA ASP A 64 17.708 7.916 10.027 1.00 0.00 C ATOM 1013 C ASP A 64 19.168 8.004 9.594 1.00 0.00 C ATOM 1014 O ASP A 64 19.665 9.082 9.267 1.00 0.00 O ATOM 1015 CB ASP A 64 17.624 7.731 11.543 1.00 0.00 C ATOM 1016 CG ASP A 64 16.273 8.134 12.101 1.00 0.00 C ATOM 1017 OD1 ASP A 64 15.255 7.561 11.661 1.00 0.00 O ATOM 1018 OD2 ASP A 64 16.234 9.024 12.977 1.00 0.00 O ATOM 0 H ASP A 64 16.441 6.246 9.950 1.00 0.00 H new ATOM 0 HA ASP A 64 17.210 8.846 9.753 1.00 0.00 H new ATOM 0 HB2 ASP A 64 17.819 6.688 11.790 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.403 8.324 12.022 1.00 0.00 H new ATOM 1023 N PHE A 65 19.850 6.864 9.594 1.00 0.00 N ATOM 1024 CA PHE A 65 21.254 6.812 9.203 1.00 0.00 C ATOM 1025 C PHE A 65 21.455 7.418 7.817 1.00 0.00 C ATOM 1026 O PHE A 65 22.475 8.050 7.546 1.00 0.00 O ATOM 1027 CB PHE A 65 21.757 5.367 9.218 1.00 0.00 C ATOM 1028 CG PHE A 65 22.031 4.842 10.599 1.00 0.00 C ATOM 1029 CD1 PHE A 65 21.023 4.247 11.340 1.00 0.00 C ATOM 1030 CD2 PHE A 65 23.296 4.944 11.155 1.00 0.00 C ATOM 1031 CE1 PHE A 65 21.272 3.763 12.611 1.00 0.00 C ATOM 1032 CE2 PHE A 65 23.551 4.461 12.424 1.00 0.00 C ATOM 1033 CZ PHE A 65 22.537 3.871 13.154 1.00 0.00 C ATOM 0 H PHE A 65 19.453 5.963 9.861 1.00 0.00 H new ATOM 0 HA PHE A 65 21.827 7.396 9.923 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.017 4.728 8.735 1.00 0.00 H new ATOM 0 HB3 PHE A 65 22.670 5.302 8.626 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.032 4.160 10.920 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.092 5.406 10.590 1.00 0.00 H new ATOM 0 HE1 PHE A 65 20.478 3.301 13.179 1.00 0.00 H new ATOM 0 HE2 PHE A 65 24.542 4.545 12.845 1.00 0.00 H new ATOM 0 HZ PHE A 65 22.733 3.495 14.147 1.00 0.00 H new ATOM 1043 N GLY A 66 20.473 7.220 6.943 1.00 0.00 N ATOM 1044 CA GLY A 66 20.561 7.752 5.596 1.00 0.00 C ATOM 1045 C GLY A 66 20.578 6.662 4.542 1.00 0.00 C ATOM 1046 O GLY A 66 21.387 6.698 3.615 1.00 0.00 O ATOM 0 H GLY A 66 19.618 6.701 7.144 1.00 0.00 H new ATOM 0 HA2 GLY A 66 19.715 8.415 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 66 21.464 8.355 5.505 1.00 0.00 H new ATOM 1050 N CYS A 67 19.684 5.690 4.685 1.00 0.00 N ATOM 1051 CA CYS A 67 19.600 4.583 3.740 1.00 0.00 C ATOM 1052 C CYS A 67 18.553 4.863 2.665 1.00 0.00 C ATOM 1053 O CYS A 67 17.349 4.862 2.922 1.00 0.00 O ATOM 1054 CB CYS A 67 19.260 3.284 4.472 1.00 0.00 C ATOM 1055 SG CYS A 67 19.733 1.775 3.569 1.00 0.00 S ATOM 0 H CYS A 67 19.007 5.646 5.447 1.00 0.00 H new ATOM 0 HA CYS A 67 20.571 4.476 3.257 1.00 0.00 H new ATOM 0 HB2 CYS A 67 19.758 3.285 5.442 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.187 3.258 4.664 1.00 0.00 H new ATOM 0 HG CYS A 67 20.168 0.884 4.410 1.00 0.00 H new ATOM 1060 N PRO A 68 19.021 5.110 1.433 1.00 0.00 N ATOM 1061 CA PRO A 68 18.143 5.396 0.295 1.00 0.00 C ATOM 1062 C PRO A 68 17.348 4.171 -0.146 1.00 0.00 C ATOM 1063 O PRO A 68 16.439 4.272 -0.970 1.00 0.00 O ATOM 1064 CB PRO A 68 19.116 5.826 -0.805 1.00 0.00 C ATOM 1065 CG PRO A 68 20.406 5.172 -0.447 1.00 0.00 C ATOM 1066 CD PRO A 68 20.444 5.128 1.055 1.00 0.00 C ATOM 0 HA PRO A 68 17.393 6.149 0.538 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.769 5.506 -1.788 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.219 6.911 -0.841 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.465 4.169 -0.869 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.252 5.734 -0.843 1.00 0.00 H new ATOM 0 HD2 PRO A 68 20.967 4.243 1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 68 20.959 5.995 1.469 1.00 0.00 H new ATOM 1074 N PHE A 69 17.696 3.014 0.408 1.00 0.00 N ATOM 1075 CA PHE A 69 17.015 1.770 0.072 1.00 0.00 C ATOM 1076 C PHE A 69 15.583 1.773 0.598 1.00 0.00 C ATOM 1077 O PHE A 69 15.321 2.223 1.715 1.00 0.00 O ATOM 1078 CB PHE A 69 17.779 0.575 0.646 1.00 0.00 C ATOM 1079 CG PHE A 69 19.003 0.210 -0.144 1.00 0.00 C ATOM 1080 CD1 PHE A 69 18.915 -0.651 -1.226 1.00 0.00 C ATOM 1081 CD2 PHE A 69 20.243 0.728 0.196 1.00 0.00 C ATOM 1082 CE1 PHE A 69 20.040 -0.989 -1.954 1.00 0.00 C ATOM 1083 CE2 PHE A 69 21.371 0.394 -0.529 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.270 -0.465 -1.606 1.00 0.00 C ATOM 0 H PHE A 69 18.446 2.913 1.092 1.00 0.00 H new ATOM 0 HA PHE A 69 16.983 1.685 -1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.072 0.800 1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.112 -0.286 0.687 1.00 0.00 H new ATOM 0 HD1 PHE A 69 17.956 -1.063 -1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 69 20.328 1.400 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 69 19.958 -1.662 -2.794 1.00 0.00 H new ATOM 0 HE2 PHE A 69 22.331 0.804 -0.254 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.150 -0.726 -2.175 1.00 0.00 H new ATOM 1094 N THR A 70 14.659 1.270 -0.214 1.00 0.00 N ATOM 1095 CA THR A 70 13.254 1.216 0.168 1.00 0.00 C ATOM 1096 C THR A 70 12.605 -0.081 -0.303 1.00 0.00 C ATOM 1097 O THR A 70 12.797 -0.504 -1.442 1.00 0.00 O ATOM 1098 CB THR A 70 12.469 2.409 -0.410 1.00 0.00 C ATOM 1099 OG1 THR A 70 12.731 2.535 -1.812 1.00 0.00 O ATOM 1100 CG2 THR A 70 12.846 3.700 0.300 1.00 0.00 C ATOM 0 H THR A 70 14.859 0.894 -1.141 1.00 0.00 H new ATOM 0 HA THR A 70 13.220 1.261 1.257 1.00 0.00 H new ATOM 0 HB THR A 70 11.406 2.225 -0.255 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.227 3.294 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.279 4.528 -0.125 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.617 3.611 1.362 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.912 3.887 0.173 1.00 0.00 H new ATOM 1108 N MET A 71 11.836 -0.707 0.581 1.00 0.00 N ATOM 1109 CA MET A 71 11.157 -1.956 0.254 1.00 0.00 C ATOM 1110 C MET A 71 10.007 -2.219 1.222 1.00 0.00 C ATOM 1111 O MET A 71 9.700 -1.389 2.076 1.00 0.00 O ATOM 1112 CB MET A 71 12.146 -3.123 0.288 1.00 0.00 C ATOM 1113 CG MET A 71 13.082 -3.091 1.485 1.00 0.00 C ATOM 1114 SD MET A 71 14.570 -2.120 1.177 1.00 0.00 S ATOM 1115 CE MET A 71 14.431 -0.872 2.454 1.00 0.00 C ATOM 0 H MET A 71 11.667 -0.371 1.529 1.00 0.00 H new ATOM 0 HA MET A 71 10.748 -1.866 -0.752 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.589 -4.060 0.297 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.739 -3.113 -0.627 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.554 -2.677 2.344 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.366 -4.110 1.747 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.035 -0.006 2.183 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.389 -0.570 2.556 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.785 -1.279 3.401 1.00 0.00 H new ATOM 1125 N ALA A 72 9.376 -3.381 1.081 1.00 0.00 N ATOM 1126 CA ALA A 72 8.262 -3.754 1.944 1.00 0.00 C ATOM 1127 C ALA A 72 8.713 -3.892 3.394 1.00 0.00 C ATOM 1128 O ALA A 72 9.829 -4.335 3.667 1.00 0.00 O ATOM 1129 CB ALA A 72 7.630 -5.050 1.459 1.00 0.00 C ATOM 0 H ALA A 72 9.617 -4.079 0.378 1.00 0.00 H new ATOM 0 HA ALA A 72 7.517 -2.960 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.800 -5.317 2.113 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.263 -4.917 0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.374 -5.846 1.475 1.00 0.00 H new ATOM 1135 N ARG A 73 7.839 -3.512 4.320 1.00 0.00 N ATOM 1136 CA ARG A 73 8.149 -3.592 5.742 1.00 0.00 C ATOM 1137 C ARG A 73 8.657 -4.983 6.110 1.00 0.00 C ATOM 1138 O ARG A 73 9.419 -5.144 7.062 1.00 0.00 O ATOM 1139 CB ARG A 73 6.912 -3.252 6.576 1.00 0.00 C ATOM 1140 CG ARG A 73 6.868 -1.805 7.038 1.00 0.00 C ATOM 1141 CD ARG A 73 7.765 -1.578 8.245 1.00 0.00 C ATOM 1142 NE ARG A 73 8.001 -0.158 8.492 1.00 0.00 N ATOM 1143 CZ ARG A 73 7.128 0.636 9.103 1.00 0.00 C ATOM 1144 NH1 ARG A 73 5.969 0.152 9.526 1.00 0.00 N ATOM 1145 NH2 ARG A 73 7.415 1.918 9.291 1.00 0.00 N ATOM 0 H ARG A 73 6.910 -3.146 4.111 1.00 0.00 H new ATOM 0 HA ARG A 73 8.934 -2.868 5.958 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.019 -3.464 5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.882 -3.904 7.449 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.181 -1.152 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 73 5.843 -1.533 7.289 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.308 -2.028 9.126 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.719 -2.082 8.088 1.00 0.00 H new ATOM 0 HE ARG A 73 8.884 0.246 8.179 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.745 -0.833 9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.301 0.764 9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.306 2.294 8.966 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.745 2.527 9.760 1.00 0.00 H new ATOM 1159 N ASN A 74 8.228 -5.984 5.349 1.00 0.00 N ATOM 1160 CA ASN A 74 8.639 -7.362 5.595 1.00 0.00 C ATOM 1161 C ASN A 74 9.868 -7.720 4.766 1.00 0.00 C ATOM 1162 O ASN A 74 10.529 -8.727 5.019 1.00 0.00 O ATOM 1163 CB ASN A 74 7.493 -8.323 5.272 1.00 0.00 C ATOM 1164 CG ASN A 74 7.975 -9.743 5.046 1.00 0.00 C ATOM 1165 OD1 ASN A 74 8.784 -10.265 5.814 1.00 0.00 O ATOM 1166 ND2 ASN A 74 7.481 -10.375 3.988 1.00 0.00 N ATOM 0 H ASN A 74 7.596 -5.867 4.557 1.00 0.00 H new ATOM 0 HA ASN A 74 8.896 -7.455 6.650 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.773 -8.313 6.090 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.970 -7.974 4.382 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.770 -11.332 3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.813 -9.904 3.378 1.00 0.00 H new ATOM 1173 N LYS A 75 10.168 -6.889 3.774 1.00 0.00 N ATOM 1174 CA LYS A 75 11.318 -7.115 2.907 1.00 0.00 C ATOM 1175 C LYS A 75 12.500 -6.251 3.335 1.00 0.00 C ATOM 1176 O LYS A 75 13.499 -6.151 2.622 1.00 0.00 O ATOM 1177 CB LYS A 75 10.953 -6.814 1.452 1.00 0.00 C ATOM 1178 CG LYS A 75 10.377 -8.007 0.710 1.00 0.00 C ATOM 1179 CD LYS A 75 11.414 -9.102 0.522 1.00 0.00 C ATOM 1180 CE LYS A 75 11.004 -10.076 -0.572 1.00 0.00 C ATOM 1181 NZ LYS A 75 12.173 -10.822 -1.116 1.00 0.00 N ATOM 0 H LYS A 75 9.630 -6.052 3.550 1.00 0.00 H new ATOM 0 HA LYS A 75 11.606 -8.163 2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.230 -5.999 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.843 -6.466 0.928 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.525 -8.403 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.005 -7.686 -0.263 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.376 -8.655 0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.549 -9.642 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 75 10.275 -10.782 -0.175 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.513 -9.531 -1.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.853 -11.475 -1.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.857 -10.150 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.626 -11.362 -0.352 1.00 0.00 H new ATOM 1195 N VAL A 76 12.381 -5.629 4.503 1.00 0.00 N ATOM 1196 CA VAL A 76 13.441 -4.776 5.027 1.00 0.00 C ATOM 1197 C VAL A 76 14.564 -5.606 5.638 1.00 0.00 C ATOM 1198 O VAL A 76 15.726 -5.201 5.627 1.00 0.00 O ATOM 1199 CB VAL A 76 12.902 -3.801 6.091 1.00 0.00 C ATOM 1200 CG1 VAL A 76 11.757 -2.973 5.526 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.459 -4.559 7.333 1.00 0.00 C ATOM 0 H VAL A 76 11.561 -5.700 5.105 1.00 0.00 H new ATOM 0 HA VAL A 76 13.832 -4.205 4.185 1.00 0.00 H new ATOM 0 HB VAL A 76 13.705 -3.121 6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.389 -2.290 6.292 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.111 -2.400 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.950 -3.635 5.212 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.081 -3.854 8.074 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.671 -5.264 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.307 -5.103 7.749 1.00 0.00 H new ATOM 1211 N ALA A 77 14.209 -6.772 6.169 1.00 0.00 N ATOM 1212 CA ALA A 77 15.187 -7.661 6.782 1.00 0.00 C ATOM 1213 C ALA A 77 16.212 -8.139 5.758 1.00 0.00 C ATOM 1214 O ALA A 77 17.398 -7.828 5.862 1.00 0.00 O ATOM 1215 CB ALA A 77 14.489 -8.849 7.427 1.00 0.00 C ATOM 0 H ALA A 77 13.251 -7.122 6.187 1.00 0.00 H new ATOM 0 HA ALA A 77 15.716 -7.102 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.232 -9.505 7.881 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.801 -8.494 8.194 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.933 -9.400 6.668 1.00 0.00 H new ATOM 1221 N GLU A 78 15.746 -8.898 4.771 1.00 0.00 N ATOM 1222 CA GLU A 78 16.623 -9.420 3.730 1.00 0.00 C ATOM 1223 C GLU A 78 17.627 -8.361 3.284 1.00 0.00 C ATOM 1224 O GLU A 78 18.771 -8.675 2.952 1.00 0.00 O ATOM 1225 CB GLU A 78 15.801 -9.896 2.531 1.00 0.00 C ATOM 1226 CG GLU A 78 15.317 -11.331 2.656 1.00 0.00 C ATOM 1227 CD GLU A 78 14.214 -11.487 3.685 1.00 0.00 C ATOM 1228 OE1 GLU A 78 13.033 -11.300 3.321 1.00 0.00 O ATOM 1229 OE2 GLU A 78 14.530 -11.794 4.853 1.00 0.00 O ATOM 0 H GLU A 78 14.767 -9.165 4.671 1.00 0.00 H new ATOM 0 HA GLU A 78 17.172 -10.266 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.939 -9.240 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.404 -9.802 1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 78 14.956 -11.674 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.156 -11.971 2.928 1.00 0.00 H new ATOM 1236 N HIS A 79 17.191 -7.105 3.277 1.00 0.00 N ATOM 1237 CA HIS A 79 18.051 -5.999 2.872 1.00 0.00 C ATOM 1238 C HIS A 79 18.962 -5.571 4.018 1.00 0.00 C ATOM 1239 O HIS A 79 20.121 -5.214 3.803 1.00 0.00 O ATOM 1240 CB HIS A 79 17.206 -4.813 2.406 1.00 0.00 C ATOM 1241 CG HIS A 79 17.867 -3.486 2.621 1.00 0.00 C ATOM 1242 ND1 HIS A 79 17.758 -2.597 3.635 1.00 0.00 N flip ATOM 1243 CD2 HIS A 79 18.760 -2.937 1.726 1.00 0.00 C flip ATOM 1244 CE1 HIS A 79 18.581 -1.538 3.338 1.00 0.00 C flip ATOM 1245 NE2 HIS A 79 19.175 -1.768 2.181 1.00 0.00 N flip ATOM 0 H HIS A 79 16.247 -6.828 3.547 1.00 0.00 H new ATOM 0 HA HIS A 79 18.674 -6.339 2.045 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.982 -4.931 1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.254 -4.825 2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 79 19.072 -3.392 0.797 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.720 -0.660 3.951 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.840 -1.149 1.718 1.00 0.00 H new ATOM 1253 N LEU A 80 18.431 -5.608 5.235 1.00 0.00 N ATOM 1254 CA LEU A 80 19.196 -5.224 6.416 1.00 0.00 C ATOM 1255 C LEU A 80 20.541 -5.943 6.452 1.00 0.00 C ATOM 1256 O LEU A 80 21.574 -5.334 6.728 1.00 0.00 O ATOM 1257 CB LEU A 80 18.404 -5.537 7.686 1.00 0.00 C ATOM 1258 CG LEU A 80 17.402 -4.471 8.132 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.522 -5.001 9.253 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.128 -3.208 8.573 1.00 0.00 C ATOM 0 H LEU A 80 17.473 -5.900 5.430 1.00 0.00 H new ATOM 0 HA LEU A 80 19.380 -4.151 6.365 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.865 -6.472 7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.111 -5.706 8.499 1.00 0.00 H new ATOM 0 HG LEU A 80 16.764 -4.222 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.816 -4.229 9.557 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.974 -5.876 8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.144 -5.279 10.104 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.400 -2.460 8.887 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.791 -3.441 9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.715 -2.816 7.742 1.00 0.00 H new ATOM 1272 N GLU A 81 20.519 -7.242 6.168 1.00 0.00 N ATOM 1273 CA GLU A 81 21.737 -8.043 6.167 1.00 0.00 C ATOM 1274 C GLU A 81 22.819 -7.387 5.314 1.00 0.00 C ATOM 1275 O GLU A 81 23.978 -7.303 5.719 1.00 0.00 O ATOM 1276 CB GLU A 81 21.447 -9.452 5.646 1.00 0.00 C ATOM 1277 CG GLU A 81 20.384 -10.189 6.444 1.00 0.00 C ATOM 1278 CD GLU A 81 20.407 -11.686 6.204 1.00 0.00 C ATOM 1279 OE1 GLU A 81 21.232 -12.377 6.837 1.00 0.00 O ATOM 1280 OE2 GLU A 81 19.599 -12.166 5.381 1.00 0.00 O ATOM 0 H GLU A 81 19.672 -7.761 5.936 1.00 0.00 H new ATOM 0 HA GLU A 81 22.098 -8.110 7.193 1.00 0.00 H new ATOM 0 HB2 GLU A 81 21.129 -9.387 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 81 22.369 -10.033 5.662 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.531 -9.993 7.506 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.401 -9.798 6.181 1.00 0.00 H new ATOM 1287 N MET A 82 22.432 -6.925 4.130 1.00 0.00 N ATOM 1288 CA MET A 82 23.368 -6.275 3.219 1.00 0.00 C ATOM 1289 C MET A 82 23.388 -4.767 3.445 1.00 0.00 C ATOM 1290 O MET A 82 24.263 -4.065 2.936 1.00 0.00 O ATOM 1291 CB MET A 82 22.995 -6.581 1.767 1.00 0.00 C ATOM 1292 CG MET A 82 21.593 -6.129 1.392 1.00 0.00 C ATOM 1293 SD MET A 82 21.173 -6.516 -0.318 1.00 0.00 S ATOM 1294 CE MET A 82 19.991 -5.220 -0.678 1.00 0.00 C ATOM 0 H MET A 82 21.477 -6.988 3.778 1.00 0.00 H new ATOM 0 HA MET A 82 24.365 -6.667 3.421 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.713 -6.096 1.106 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.080 -7.654 1.597 1.00 0.00 H new ATOM 0 HG2 MET A 82 20.872 -6.606 2.056 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.508 -5.054 1.549 1.00 0.00 H new ATOM 0 HE1 MET A 82 19.664 -5.303 -1.715 1.00 0.00 H new ATOM 0 HE2 MET A 82 19.130 -5.319 -0.017 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.458 -4.248 -0.522 1.00 0.00 H new ATOM 1304 N CYS A 83 22.420 -4.275 4.210 1.00 0.00 N ATOM 1305 CA CYS A 83 22.326 -2.849 4.503 1.00 0.00 C ATOM 1306 C CYS A 83 23.570 -2.363 5.241 1.00 0.00 C ATOM 1307 O CYS A 83 23.938 -2.879 6.297 1.00 0.00 O ATOM 1308 CB CYS A 83 21.078 -2.561 5.339 1.00 0.00 C ATOM 1309 SG CYS A 83 20.914 -0.821 5.854 1.00 0.00 S ATOM 0 H CYS A 83 21.689 -4.842 4.639 1.00 0.00 H new ATOM 0 HA CYS A 83 22.253 -2.312 3.557 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.196 -2.844 4.765 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.095 -3.192 6.228 1.00 0.00 H new ATOM 0 HG CYS A 83 19.654 -0.514 5.950 1.00 0.00 H new ATOM 1314 N PRO A 84 24.234 -1.344 4.674 1.00 0.00 N ATOM 1315 CA PRO A 84 25.445 -0.765 5.261 1.00 0.00 C ATOM 1316 C PRO A 84 25.156 0.010 6.542 1.00 0.00 C ATOM 1317 O PRO A 84 25.941 -0.023 7.489 1.00 0.00 O ATOM 1318 CB PRO A 84 25.952 0.180 4.168 1.00 0.00 C ATOM 1319 CG PRO A 84 24.737 0.535 3.381 1.00 0.00 C ATOM 1320 CD PRO A 84 23.852 -0.680 3.416 1.00 0.00 C ATOM 0 HA PRO A 84 26.164 -1.532 5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.419 1.067 4.597 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.702 -0.304 3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 84 24.231 1.399 3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.999 0.798 2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.796 -0.409 3.409 1.00 0.00 H new ATOM 0 HD3 PRO A 84 24.021 -1.325 2.554 1.00 0.00 H new ATOM 1328 N ALA A 85 24.023 0.705 6.565 1.00 0.00 N ATOM 1329 CA ALA A 85 23.629 1.485 7.732 1.00 0.00 C ATOM 1330 C ALA A 85 23.579 0.614 8.983 1.00 0.00 C ATOM 1331 O ALA A 85 23.757 1.103 10.098 1.00 0.00 O ATOM 1332 CB ALA A 85 22.280 2.147 7.492 1.00 0.00 C ATOM 0 H ALA A 85 23.362 0.744 5.789 1.00 0.00 H new ATOM 0 HA ALA A 85 24.379 2.260 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.997 2.726 8.371 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.348 2.808 6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.527 1.381 7.305 1.00 0.00 H new ATOM 1338 N SER A 86 23.334 -0.678 8.790 1.00 0.00 N ATOM 1339 CA SER A 86 23.255 -1.616 9.904 1.00 0.00 C ATOM 1340 C SER A 86 24.646 -2.095 10.309 1.00 0.00 C ATOM 1341 O SER A 86 24.835 -3.259 10.664 1.00 0.00 O ATOM 1342 CB SER A 86 22.379 -2.813 9.529 1.00 0.00 C ATOM 1343 OG SER A 86 21.737 -3.352 10.671 1.00 0.00 O ATOM 0 H SER A 86 23.187 -1.099 7.873 1.00 0.00 H new ATOM 0 HA SER A 86 22.806 -1.099 10.752 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.631 -2.505 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 86 22.990 -3.581 9.055 1.00 0.00 H new ATOM 0 HG SER A 86 21.182 -4.115 10.405 1.00 0.00 H new