USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=24 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 -129:sc= 0.65 USER MOD Set 1.2: A 67 CYS SG : rot 145:sc= 0.0767 USER MOD Set 1.3: A 79 HIS : no HD1:sc= -3.71 K(o=-3.9,f=-3) USER MOD Set 1.4: A 83 CYS SG : rot 148:sc= -0.903 USER MOD Set 2.1: A 33 CYS SG : rot 83:sc= -0.329 USER MOD Set 2.2: A 37 CYS SG : rot -94:sc= 0.118 USER MOD Set 2.3: A 49 HIS : no HD1:sc= -15.5! C(o=-17!,f=-16!) USER MOD Set 2.4: A 53 CYS SG : rot 125:sc= -1.57 USER MOD Set 3.1: A 7 HIS : no HD1:sc= -2.88! K(o=-14!,f=-8.4) USER MOD Set 3.2: A 9 HIS : no HD1:sc= -5! C(o=-14!,f=-8.4!) USER MOD Set 3.3: A 10 CYS SG : rot 133:sc= -1.45 USER MOD Set 3.4: A 13 CYS SG : rot -155:sc= 0.00844 USER MOD Set 3.5: A 18 CYS SG : rot -139:sc= 0.323 USER MOD Set 3.6: A 20 THR OG1 : rot 92:sc= 0.016 USER MOD Set 3.7: A 27 SER OG : rot -170:sc= -2.19! USER MOD Set 3.8: A 28 CYS SG : rot -65:sc= 0.401 USER MOD Set 3.9: A 42 HIS : no HE2:sc= -2.21 K(o=-14,f=-14) USER MOD Set 3.10: A 43 SER OG : rot -51:sc=-0.00106 USER MOD Set 3.11: A 44 CYS SG : rot -150:sc= -1.46 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 156:sc= -1.48 (180deg=-2.22!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.125 USER MOD Single : A 70 THR OG1 : rot 44:sc= 0.00791 USER MOD Single : A 71 MET CE :methyl -156:sc= -0.476 (180deg=-0.784) USER MOD Single : A 74 ASN : amide:sc= -1.54! C(o=-1.5!,f=-2!) USER MOD Single : A 75 LYS NZ :NH3+ 162:sc= -0.0124 (180deg=-0.164) USER MOD Single : A 82 MET CE :methyl 179:sc= 0 (180deg=-0.00192) USER MOD Single : A 86 SER OG : rot -98:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 6 -15.014 10.095 5.867 1.00 0.00 N ATOM 148 CA GLN A 6 -15.000 8.883 6.677 1.00 0.00 C ATOM 149 C GLN A 6 -16.386 8.252 6.737 1.00 0.00 C ATOM 150 O GLN A 6 -17.384 8.885 6.389 1.00 0.00 O ATOM 151 CB GLN A 6 -14.507 9.196 8.091 1.00 0.00 C ATOM 152 CG GLN A 6 -13.000 9.370 8.186 1.00 0.00 C ATOM 153 CD GLN A 6 -12.547 9.794 9.569 1.00 0.00 C ATOM 154 OE1 GLN A 6 -12.404 8.967 10.470 1.00 0.00 O ATOM 155 NE2 GLN A 6 -12.319 11.091 9.746 1.00 0.00 N ATOM 0 HA GLN A 6 -14.318 8.172 6.211 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.992 10.107 8.443 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.814 8.392 8.760 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -12.512 8.432 7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.678 10.115 7.458 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -12.450 11.742 8.972 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.013 11.435 10.656 1.00 0.00 H new ATOM 164 N HIS A 7 -16.443 7.000 7.180 1.00 0.00 N ATOM 165 CA HIS A 7 -17.708 6.282 7.286 1.00 0.00 C ATOM 166 C HIS A 7 -17.964 5.841 8.724 1.00 0.00 C ATOM 167 O HIS A 7 -17.127 5.181 9.339 1.00 0.00 O ATOM 168 CB HIS A 7 -17.708 5.066 6.359 1.00 0.00 C ATOM 169 CG HIS A 7 -17.814 5.419 4.908 1.00 0.00 C ATOM 170 ND1 HIS A 7 -17.080 4.790 3.924 1.00 0.00 N ATOM 171 CD2 HIS A 7 -18.577 6.340 4.274 1.00 0.00 C ATOM 172 CE1 HIS A 7 -17.385 5.311 2.749 1.00 0.00 C ATOM 173 NE2 HIS A 7 -18.292 6.254 2.934 1.00 0.00 N ATOM 0 H HIS A 7 -15.627 6.462 7.471 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.508 6.959 6.985 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.792 4.497 6.520 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.540 4.415 6.628 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.280 7.017 4.737 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.965 5.016 1.799 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.712 6.825 2.201 1.00 0.00 H new ATOM 181 N SER A 8 -19.126 6.210 9.253 1.00 0.00 N ATOM 182 CA SER A 8 -19.490 5.856 10.620 1.00 0.00 C ATOM 183 C SER A 8 -19.232 4.376 10.885 1.00 0.00 C ATOM 184 O SER A 8 -18.835 3.990 11.985 1.00 0.00 O ATOM 185 CB SER A 8 -20.962 6.183 10.879 1.00 0.00 C ATOM 186 OG SER A 8 -21.175 7.584 10.915 1.00 0.00 O ATOM 0 H SER A 8 -19.831 6.754 8.756 1.00 0.00 H new ATOM 0 HA SER A 8 -18.870 6.442 11.298 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.579 5.738 10.099 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.275 5.740 11.824 1.00 0.00 H new ATOM 0 HG SER A 8 -22.124 7.767 11.080 1.00 0.00 H new ATOM 192 N HIS A 9 -19.461 3.550 9.869 1.00 0.00 N ATOM 193 CA HIS A 9 -19.254 2.112 9.990 1.00 0.00 C ATOM 194 C HIS A 9 -17.775 1.763 9.852 1.00 0.00 C ATOM 195 O HIS A 9 -17.128 1.361 10.820 1.00 0.00 O ATOM 196 CB HIS A 9 -20.067 1.366 8.931 1.00 0.00 C ATOM 197 CG HIS A 9 -19.628 -0.051 8.727 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.117 -1.105 9.470 1.00 0.00 N ATOM 199 CD2 HIS A 9 -18.740 -0.586 7.857 1.00 0.00 C ATOM 200 CE1 HIS A 9 -19.549 -2.227 9.066 1.00 0.00 C ATOM 201 NE2 HIS A 9 -18.709 -1.940 8.088 1.00 0.00 N ATOM 0 H HIS A 9 -19.790 3.853 8.952 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.592 1.804 10.979 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.118 1.374 9.219 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.992 1.901 7.984 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.163 -0.049 7.119 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -19.739 -3.212 9.467 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -18.131 -2.614 7.586 1.00 0.00 H new ATOM 209 N CYS A 10 -17.246 1.918 8.643 1.00 0.00 N ATOM 210 CA CYS A 10 -15.844 1.618 8.377 1.00 0.00 C ATOM 211 C CYS A 10 -14.952 2.156 9.493 1.00 0.00 C ATOM 212 O CYS A 10 -14.136 1.426 10.057 1.00 0.00 O ATOM 213 CB CYS A 10 -15.418 2.218 7.036 1.00 0.00 C ATOM 214 SG CYS A 10 -16.530 1.808 5.652 1.00 0.00 S ATOM 0 H CYS A 10 -17.767 2.250 7.831 1.00 0.00 H new ATOM 0 HA CYS A 10 -15.732 0.535 8.335 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.364 3.302 7.136 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.413 1.869 6.797 1.00 0.00 H new ATOM 0 HG CYS A 10 -16.796 2.885 4.975 1.00 0.00 H new ATOM 219 N VAL A 11 -15.113 3.437 9.806 1.00 0.00 N ATOM 220 CA VAL A 11 -14.324 4.073 10.855 1.00 0.00 C ATOM 221 C VAL A 11 -14.229 3.181 12.088 1.00 0.00 C ATOM 222 O VAL A 11 -13.205 3.154 12.770 1.00 0.00 O ATOM 223 CB VAL A 11 -14.923 5.432 11.262 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.935 6.387 10.079 1.00 0.00 C ATOM 225 CG2 VAL A 11 -16.325 5.249 11.824 1.00 0.00 C ATOM 0 H VAL A 11 -15.783 4.056 9.348 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.326 4.232 10.448 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.297 5.866 12.042 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.362 7.342 10.386 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.915 6.542 9.726 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.536 5.963 9.275 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.733 6.219 12.107 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.964 4.793 11.067 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.284 4.603 12.701 1.00 0.00 H new ATOM 235 N ASN A 12 -15.304 2.452 12.369 1.00 0.00 N ATOM 236 CA ASN A 12 -15.343 1.559 13.521 1.00 0.00 C ATOM 237 C ASN A 12 -15.483 0.106 13.077 1.00 0.00 C ATOM 238 O ASN A 12 -16.188 -0.682 13.709 1.00 0.00 O ATOM 239 CB ASN A 12 -16.501 1.936 14.446 1.00 0.00 C ATOM 240 CG ASN A 12 -16.142 3.064 15.393 1.00 0.00 C ATOM 241 OD1 ASN A 12 -14.968 3.390 15.570 1.00 0.00 O ATOM 242 ND2 ASN A 12 -17.153 3.667 16.006 1.00 0.00 N ATOM 0 H ASN A 12 -16.160 2.462 11.814 1.00 0.00 H new ATOM 0 HA ASN A 12 -14.404 1.666 14.065 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -17.361 2.230 13.845 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -16.800 1.062 15.024 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -16.972 4.434 16.654 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.111 3.364 15.829 1.00 0.00 H new ATOM 249 N CYS A 13 -14.807 -0.243 11.988 1.00 0.00 N ATOM 250 CA CYS A 13 -14.855 -1.600 11.459 1.00 0.00 C ATOM 251 C CYS A 13 -13.449 -2.168 11.289 1.00 0.00 C ATOM 252 O CYS A 13 -12.780 -1.909 10.288 1.00 0.00 O ATOM 253 CB CYS A 13 -15.591 -1.622 10.118 1.00 0.00 C ATOM 254 SG CYS A 13 -15.739 -3.280 9.378 1.00 0.00 S ATOM 0 H CYS A 13 -14.219 0.397 11.454 1.00 0.00 H new ATOM 0 HA CYS A 13 -15.395 -2.222 12.173 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -16.589 -1.207 10.257 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.069 -0.969 9.419 1.00 0.00 H new ATOM 0 HG CYS A 13 -15.876 -3.170 8.090 1.00 0.00 H new ATOM 259 N VAL A 14 -13.007 -2.944 12.273 1.00 0.00 N ATOM 260 CA VAL A 14 -11.681 -3.550 12.232 1.00 0.00 C ATOM 261 C VAL A 14 -11.755 -5.003 11.777 1.00 0.00 C ATOM 262 O VAL A 14 -10.946 -5.835 12.187 1.00 0.00 O ATOM 263 CB VAL A 14 -10.994 -3.490 13.610 1.00 0.00 C ATOM 264 CG1 VAL A 14 -10.913 -2.053 14.104 1.00 0.00 C ATOM 265 CG2 VAL A 14 -11.731 -4.366 14.611 1.00 0.00 C ATOM 0 H VAL A 14 -13.547 -3.168 13.109 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.093 -2.977 11.515 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.978 -3.871 13.507 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.425 -2.030 15.078 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.338 -1.457 13.396 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.918 -1.641 14.192 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -11.232 -4.312 15.579 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -12.759 -4.017 14.712 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -11.731 -5.398 14.260 1.00 0.00 H new ATOM 275 N SER A 15 -12.730 -5.301 10.924 1.00 0.00 N ATOM 276 CA SER A 15 -12.912 -6.655 10.414 1.00 0.00 C ATOM 277 C SER A 15 -12.424 -6.763 8.973 1.00 0.00 C ATOM 278 O SER A 15 -12.478 -5.795 8.214 1.00 0.00 O ATOM 279 CB SER A 15 -14.385 -7.061 10.498 1.00 0.00 C ATOM 280 OG SER A 15 -14.606 -8.311 9.868 1.00 0.00 O ATOM 0 H SER A 15 -13.406 -4.623 10.572 1.00 0.00 H new ATOM 0 HA SER A 15 -12.321 -7.332 11.031 1.00 0.00 H new ATOM 0 HB2 SER A 15 -14.691 -7.118 11.543 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.003 -6.298 10.026 1.00 0.00 H new ATOM 0 HG SER A 15 -15.554 -8.549 9.937 1.00 0.00 H new ATOM 286 N ARG A 16 -11.946 -7.947 8.604 1.00 0.00 N ATOM 287 CA ARG A 16 -11.447 -8.182 7.254 1.00 0.00 C ATOM 288 C ARG A 16 -12.568 -8.658 6.335 1.00 0.00 C ATOM 289 O ARG A 16 -12.888 -8.006 5.341 1.00 0.00 O ATOM 290 CB ARG A 16 -10.319 -9.215 7.278 1.00 0.00 C ATOM 291 CG ARG A 16 -8.969 -8.633 7.664 1.00 0.00 C ATOM 292 CD ARG A 16 -7.955 -9.728 7.962 1.00 0.00 C ATOM 293 NE ARG A 16 -6.584 -9.278 7.741 1.00 0.00 N ATOM 294 CZ ARG A 16 -5.519 -9.895 8.241 1.00 0.00 C ATOM 295 NH1 ARG A 16 -5.667 -10.982 8.986 1.00 0.00 N ATOM 296 NH2 ARG A 16 -4.302 -9.425 7.995 1.00 0.00 N ATOM 0 H ARG A 16 -11.894 -8.758 9.220 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.060 -7.239 6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.578 -10.007 7.980 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.239 -9.676 6.293 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.599 -8.003 6.856 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.084 -7.994 8.539 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.067 -10.055 8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.159 -10.593 7.331 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.436 -8.445 7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.600 -11.347 9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.847 -11.454 9.369 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.184 -8.590 7.422 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.485 -9.899 8.379 1.00 0.00 H new ATOM 310 N ARG A 17 -13.160 -9.799 6.674 1.00 0.00 N ATOM 311 CA ARG A 17 -14.243 -10.363 5.878 1.00 0.00 C ATOM 312 C ARG A 17 -15.574 -9.702 6.226 1.00 0.00 C ATOM 313 O ARG A 17 -16.608 -10.367 6.306 1.00 0.00 O ATOM 314 CB ARG A 17 -14.338 -11.873 6.104 1.00 0.00 C ATOM 315 CG ARG A 17 -13.419 -12.682 5.202 1.00 0.00 C ATOM 316 CD ARG A 17 -14.111 -13.067 3.904 1.00 0.00 C ATOM 317 NE ARG A 17 -13.167 -13.569 2.909 1.00 0.00 N ATOM 318 CZ ARG A 17 -12.359 -12.787 2.203 1.00 0.00 C ATOM 319 NH1 ARG A 17 -12.379 -11.473 2.381 1.00 0.00 N ATOM 320 NH2 ARG A 17 -11.527 -13.319 1.316 1.00 0.00 N ATOM 0 H ARG A 17 -12.908 -10.350 7.494 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.025 -10.173 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -14.098 -12.092 7.144 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.367 -12.192 5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -12.523 -12.103 4.980 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.095 -13.582 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.864 -13.829 4.107 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.635 -12.200 3.502 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.126 -14.575 2.748 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.016 -11.060 3.062 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.757 -10.875 1.837 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.508 -14.329 1.176 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.907 -12.718 0.774 1.00 0.00 H new ATOM 334 N CYS A 18 -15.541 -8.390 6.431 1.00 0.00 N ATOM 335 CA CYS A 18 -16.743 -7.638 6.771 1.00 0.00 C ATOM 336 C CYS A 18 -17.790 -7.759 5.668 1.00 0.00 C ATOM 337 O CYS A 18 -17.530 -7.426 4.512 1.00 0.00 O ATOM 338 CB CYS A 18 -16.400 -6.165 7.005 1.00 0.00 C ATOM 339 SG CYS A 18 -17.792 -5.024 6.725 1.00 0.00 S ATOM 0 H CYS A 18 -14.694 -7.825 6.368 1.00 0.00 H new ATOM 0 HA CYS A 18 -17.157 -8.057 7.688 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.045 -6.044 8.028 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -15.577 -5.886 6.347 1.00 0.00 H new ATOM 0 HG CYS A 18 -17.366 -3.963 6.107 1.00 0.00 H new ATOM 344 N MET A 19 -18.975 -8.237 6.034 1.00 0.00 N ATOM 345 CA MET A 19 -20.062 -8.400 5.075 1.00 0.00 C ATOM 346 C MET A 19 -21.231 -7.482 5.418 1.00 0.00 C ATOM 347 O MET A 19 -22.385 -7.911 5.442 1.00 0.00 O ATOM 348 CB MET A 19 -20.533 -9.855 5.048 1.00 0.00 C ATOM 349 CG MET A 19 -19.638 -10.768 4.225 1.00 0.00 C ATOM 350 SD MET A 19 -20.450 -12.313 3.774 1.00 0.00 S ATOM 351 CE MET A 19 -20.214 -12.314 1.998 1.00 0.00 C ATOM 0 H MET A 19 -19.207 -8.518 6.987 1.00 0.00 H new ATOM 0 HA MET A 19 -19.686 -8.129 4.088 1.00 0.00 H new ATOM 0 HB2 MET A 19 -20.581 -10.232 6.070 1.00 0.00 H new ATOM 0 HB3 MET A 19 -21.545 -9.893 4.646 1.00 0.00 H new ATOM 0 HG2 MET A 19 -19.328 -10.247 3.319 1.00 0.00 H new ATOM 0 HG3 MET A 19 -18.733 -10.989 4.791 1.00 0.00 H new ATOM 0 HE1 MET A 19 -20.663 -13.211 1.572 1.00 0.00 H new ATOM 0 HE2 MET A 19 -20.687 -11.431 1.568 1.00 0.00 H new ATOM 0 HE3 MET A 19 -19.148 -12.300 1.773 1.00 0.00 H new ATOM 361 N THR A 20 -20.926 -6.215 5.682 1.00 0.00 N ATOM 362 CA THR A 20 -21.950 -5.237 6.024 1.00 0.00 C ATOM 363 C THR A 20 -22.459 -4.516 4.782 1.00 0.00 C ATOM 364 O THR A 20 -21.673 -4.061 3.951 1.00 0.00 O ATOM 365 CB THR A 20 -21.420 -4.195 7.027 1.00 0.00 C ATOM 366 OG1 THR A 20 -21.037 -4.840 8.247 1.00 0.00 O ATOM 367 CG2 THR A 20 -22.473 -3.137 7.316 1.00 0.00 C ATOM 0 H THR A 20 -19.977 -5.843 5.665 1.00 0.00 H new ATOM 0 HA THR A 20 -22.771 -5.788 6.483 1.00 0.00 H new ATOM 0 HB THR A 20 -20.551 -3.708 6.585 1.00 0.00 H new ATOM 0 HG1 THR A 20 -20.087 -5.077 8.208 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.075 -2.413 8.027 1.00 0.00 H new ATOM 0 HG22 THR A 20 -22.741 -2.628 6.390 1.00 0.00 H new ATOM 0 HG23 THR A 20 -23.359 -3.611 7.739 1.00 0.00 H new ATOM 375 N ARG A 21 -23.779 -4.414 4.661 1.00 0.00 N ATOM 376 CA ARG A 21 -24.392 -3.748 3.518 1.00 0.00 C ATOM 377 C ARG A 21 -23.788 -2.363 3.307 1.00 0.00 C ATOM 378 O ARG A 21 -23.861 -1.489 4.172 1.00 0.00 O ATOM 379 CB ARG A 21 -25.904 -3.632 3.720 1.00 0.00 C ATOM 380 CG ARG A 21 -26.668 -3.330 2.441 1.00 0.00 C ATOM 381 CD ARG A 21 -28.097 -2.900 2.734 1.00 0.00 C ATOM 382 NE ARG A 21 -28.927 -4.019 3.170 1.00 0.00 N ATOM 383 CZ ARG A 21 -29.579 -4.820 2.335 1.00 0.00 C ATOM 384 NH1 ARG A 21 -29.497 -4.627 1.026 1.00 0.00 N ATOM 385 NH2 ARG A 21 -30.314 -5.818 2.809 1.00 0.00 N ATOM 0 H ARG A 21 -24.444 -4.784 5.340 1.00 0.00 H new ATOM 0 HA ARG A 21 -24.196 -4.349 2.630 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.278 -4.564 4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -26.106 -2.846 4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -26.156 -2.543 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -26.676 -4.214 1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -28.093 -2.130 3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -28.532 -2.453 1.840 1.00 0.00 H new ATOM 0 HE ARG A 21 -29.011 -4.195 4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -28.932 -3.862 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -29.999 -5.244 0.387 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -30.379 -5.970 3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -30.814 -6.433 2.167 1.00 0.00 H new ATOM 399 N PRO A 22 -23.177 -2.156 2.132 1.00 0.00 N ATOM 400 CA PRO A 22 -22.548 -0.879 1.780 1.00 0.00 C ATOM 401 C PRO A 22 -23.572 0.228 1.554 1.00 0.00 C ATOM 402 O PRO A 22 -24.264 0.247 0.536 1.00 0.00 O ATOM 403 CB PRO A 22 -21.807 -1.196 0.479 1.00 0.00 C ATOM 404 CG PRO A 22 -22.548 -2.346 -0.110 1.00 0.00 C ATOM 405 CD PRO A 22 -23.053 -3.153 1.055 1.00 0.00 C ATOM 0 HA PRO A 22 -21.901 -0.510 2.576 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.806 -0.339 -0.195 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.765 -1.453 0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -23.373 -2.001 -0.733 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.897 -2.945 -0.747 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -24.010 -3.625 0.832 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.359 -3.950 1.323 1.00 0.00 H new ATOM 413 N GLU A 23 -23.662 1.148 2.508 1.00 0.00 N ATOM 414 CA GLU A 23 -24.602 2.259 2.412 1.00 0.00 C ATOM 415 C GLU A 23 -23.938 3.482 1.786 1.00 0.00 C ATOM 416 O GLU A 23 -22.713 3.578 1.699 1.00 0.00 O ATOM 417 CB GLU A 23 -25.150 2.614 3.796 1.00 0.00 C ATOM 418 CG GLU A 23 -26.458 1.917 4.130 1.00 0.00 C ATOM 419 CD GLU A 23 -27.428 1.906 2.964 1.00 0.00 C ATOM 420 OE1 GLU A 23 -27.352 0.972 2.139 1.00 0.00 O ATOM 421 OE2 GLU A 23 -28.262 2.831 2.877 1.00 0.00 O ATOM 0 H GLU A 23 -23.096 1.147 3.356 1.00 0.00 H new ATOM 0 HA GLU A 23 -25.427 1.948 1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -24.407 2.354 4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -25.298 3.692 3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -26.251 0.891 4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.924 2.415 4.980 1.00 0.00 H new ATOM 428 N PRO A 24 -24.763 4.440 1.340 1.00 0.00 N ATOM 429 CA PRO A 24 -24.279 5.674 0.715 1.00 0.00 C ATOM 430 C PRO A 24 -23.589 6.597 1.713 1.00 0.00 C ATOM 431 O PRO A 24 -23.215 7.721 1.378 1.00 0.00 O ATOM 432 CB PRO A 24 -25.556 6.325 0.179 1.00 0.00 C ATOM 433 CG PRO A 24 -26.646 5.791 1.043 1.00 0.00 C ATOM 434 CD PRO A 24 -26.233 4.392 1.411 1.00 0.00 C ATOM 0 HA PRO A 24 -23.531 5.476 -0.053 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -25.501 7.412 0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -25.720 6.071 -0.868 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -26.776 6.407 1.933 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -27.599 5.790 0.514 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -26.578 4.120 2.409 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -26.645 3.657 0.720 1.00 0.00 H new ATOM 442 N GLY A 25 -23.423 6.116 2.941 1.00 0.00 N ATOM 443 CA GLY A 25 -22.778 6.911 3.969 1.00 0.00 C ATOM 444 C GLY A 25 -22.296 6.071 5.135 1.00 0.00 C ATOM 445 O GLY A 25 -21.122 6.125 5.503 1.00 0.00 O ATOM 0 H GLY A 25 -23.724 5.189 3.242 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.932 7.443 3.535 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -23.476 7.665 4.333 1.00 0.00 H new ATOM 449 N ILE A 26 -23.203 5.295 5.718 1.00 0.00 N ATOM 450 CA ILE A 26 -22.864 4.441 6.849 1.00 0.00 C ATOM 451 C ILE A 26 -21.632 3.594 6.549 1.00 0.00 C ATOM 452 O ILE A 26 -20.563 3.809 7.120 1.00 0.00 O ATOM 453 CB ILE A 26 -24.033 3.512 7.224 1.00 0.00 C ATOM 454 CG1 ILE A 26 -25.070 4.271 8.055 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.522 2.298 7.985 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.845 5.299 7.262 1.00 0.00 C ATOM 0 H ILE A 26 -24.179 5.240 5.426 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.652 5.101 7.690 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.512 3.167 6.308 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -25.769 3.556 8.489 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.566 4.768 8.884 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.360 1.651 8.243 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.817 1.748 7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -23.022 2.624 8.897 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.561 5.798 7.915 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -25.156 6.036 6.850 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -26.377 4.806 6.449 1.00 0.00 H new ATOM 468 N SER A 27 -21.789 2.631 5.646 1.00 0.00 N ATOM 469 CA SER A 27 -20.690 1.749 5.270 1.00 0.00 C ATOM 470 C SER A 27 -20.507 1.725 3.755 1.00 0.00 C ATOM 471 O SER A 27 -21.422 2.062 3.002 1.00 0.00 O ATOM 472 CB SER A 27 -20.946 0.332 5.787 1.00 0.00 C ATOM 473 OG SER A 27 -19.871 -0.531 5.460 1.00 0.00 O ATOM 0 H SER A 27 -22.666 2.442 5.161 1.00 0.00 H new ATOM 0 HA SER A 27 -19.776 2.134 5.723 1.00 0.00 H new ATOM 0 HB2 SER A 27 -21.082 0.355 6.868 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.870 -0.054 5.357 1.00 0.00 H new ATOM 0 HG SER A 27 -20.123 -1.457 5.658 1.00 0.00 H new ATOM 479 N CYS A 28 -19.319 1.324 3.316 1.00 0.00 N ATOM 480 CA CYS A 28 -19.013 1.256 1.892 1.00 0.00 C ATOM 481 C CYS A 28 -18.534 -0.140 1.505 1.00 0.00 C ATOM 482 O CYS A 28 -18.235 -0.966 2.367 1.00 0.00 O ATOM 483 CB CYS A 28 -17.948 2.292 1.527 1.00 0.00 C ATOM 484 SG CYS A 28 -16.257 1.822 2.014 1.00 0.00 S ATOM 0 H CYS A 28 -18.552 1.041 3.926 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.927 1.474 1.339 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.972 2.458 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -18.201 3.240 2.001 1.00 0.00 H new ATOM 0 HG CYS A 28 -16.177 1.770 3.311 1.00 0.00 H new ATOM 489 N ASP A 29 -18.464 -0.396 0.203 1.00 0.00 N ATOM 490 CA ASP A 29 -18.019 -1.691 -0.299 1.00 0.00 C ATOM 491 C ASP A 29 -16.578 -1.970 0.117 1.00 0.00 C ATOM 492 O ASP A 29 -15.780 -1.047 0.285 1.00 0.00 O ATOM 493 CB ASP A 29 -18.143 -1.741 -1.822 1.00 0.00 C ATOM 494 CG ASP A 29 -19.463 -1.182 -2.315 1.00 0.00 C ATOM 495 OD1 ASP A 29 -20.470 -1.919 -2.279 1.00 0.00 O ATOM 496 OD2 ASP A 29 -19.489 -0.006 -2.737 1.00 0.00 O ATOM 0 H ASP A 29 -18.710 0.276 -0.524 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.658 -2.460 0.135 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.324 -1.178 -2.269 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -18.041 -2.773 -2.158 1.00 0.00 H new ATOM 501 N LEU A 30 -16.252 -3.247 0.283 1.00 0.00 N ATOM 502 CA LEU A 30 -14.907 -3.648 0.680 1.00 0.00 C ATOM 503 C LEU A 30 -14.056 -3.984 -0.541 1.00 0.00 C ATOM 504 O LEU A 30 -14.576 -4.406 -1.574 1.00 0.00 O ATOM 505 CB LEU A 30 -14.970 -4.853 1.620 1.00 0.00 C ATOM 506 CG LEU A 30 -15.097 -4.536 3.110 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.569 -5.761 3.878 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.771 -4.035 3.664 1.00 0.00 C ATOM 0 H LEU A 30 -16.901 -4.023 0.149 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.444 -2.811 1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.818 -5.473 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -14.071 -5.452 1.472 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.840 -3.748 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.654 -5.516 4.937 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.542 -6.075 3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.851 -6.570 3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.880 -3.814 4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.008 -4.801 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.474 -3.130 3.134 1.00 0.00 H new ATOM 520 N ILE A 31 -12.747 -3.796 -0.413 1.00 0.00 N ATOM 521 CA ILE A 31 -11.825 -4.082 -1.504 1.00 0.00 C ATOM 522 C ILE A 31 -10.541 -4.720 -0.986 1.00 0.00 C ATOM 523 O ILE A 31 -10.002 -4.310 0.042 1.00 0.00 O ATOM 524 CB ILE A 31 -11.469 -2.807 -2.291 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.836 -1.769 -1.362 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.709 -2.237 -2.964 1.00 0.00 C ATOM 527 CD1 ILE A 31 -9.336 -1.910 -1.232 1.00 0.00 C ATOM 0 H ILE A 31 -12.301 -3.447 0.436 1.00 0.00 H new ATOM 0 HA ILE A 31 -12.333 -4.780 -2.170 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.745 -3.065 -3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -11.068 -0.771 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -11.288 -1.854 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -12.442 -1.336 -3.516 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -13.122 -2.975 -3.652 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -13.453 -1.991 -2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.955 -1.142 -0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.097 -2.895 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.873 -1.795 -2.212 1.00 0.00 H new ATOM 539 N GLY A 32 -10.053 -5.727 -1.705 1.00 0.00 N ATOM 540 CA GLY A 32 -8.835 -6.405 -1.303 1.00 0.00 C ATOM 541 C GLY A 32 -7.607 -5.528 -1.454 1.00 0.00 C ATOM 542 O GLY A 32 -7.620 -4.552 -2.205 1.00 0.00 O ATOM 0 H GLY A 32 -10.480 -6.085 -2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.925 -6.723 -0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.710 -7.307 -1.902 1.00 0.00 H new ATOM 546 N CYS A 33 -6.543 -5.875 -0.738 1.00 0.00 N ATOM 547 CA CYS A 33 -5.302 -5.113 -0.793 1.00 0.00 C ATOM 548 C CYS A 33 -4.663 -5.213 -2.176 1.00 0.00 C ATOM 549 O CYS A 33 -4.603 -6.282 -2.783 1.00 0.00 O ATOM 550 CB CYS A 33 -4.323 -5.614 0.270 1.00 0.00 C ATOM 551 SG CYS A 33 -2.697 -4.792 0.231 1.00 0.00 S ATOM 0 H CYS A 33 -6.516 -6.680 -0.112 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.538 -4.067 -0.595 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.768 -5.470 1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.179 -6.687 0.139 1.00 0.00 H new ATOM 0 HG CYS A 33 -2.764 -3.667 0.879 1.00 0.00 H new ATOM 556 N PRO A 34 -4.173 -4.073 -2.685 1.00 0.00 N ATOM 557 CA PRO A 34 -3.529 -4.006 -4.000 1.00 0.00 C ATOM 558 C PRO A 34 -2.177 -4.710 -4.020 1.00 0.00 C ATOM 559 O PRO A 34 -1.749 -5.225 -5.054 1.00 0.00 O ATOM 560 CB PRO A 34 -3.353 -2.503 -4.233 1.00 0.00 C ATOM 561 CG PRO A 34 -3.307 -1.911 -2.866 1.00 0.00 C ATOM 562 CD PRO A 34 -4.210 -2.761 -2.016 1.00 0.00 C ATOM 0 HA PRO A 34 -4.120 -4.504 -4.769 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.438 -2.293 -4.787 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.179 -2.093 -4.814 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.290 -1.911 -2.475 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.644 -0.875 -2.878 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.852 -2.824 -0.988 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.222 -2.358 -1.977 1.00 0.00 H new ATOM 570 N LEU A 35 -1.509 -4.730 -2.873 1.00 0.00 N ATOM 571 CA LEU A 35 -0.204 -5.373 -2.758 1.00 0.00 C ATOM 572 C LEU A 35 -0.350 -6.831 -2.335 1.00 0.00 C ATOM 573 O LEU A 35 0.618 -7.469 -1.922 1.00 0.00 O ATOM 574 CB LEU A 35 0.669 -4.623 -1.751 1.00 0.00 C ATOM 575 CG LEU A 35 1.044 -3.188 -2.125 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.621 -2.456 -0.923 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.033 -3.180 -3.282 1.00 0.00 C ATOM 0 H LEU A 35 -1.849 -4.308 -2.009 1.00 0.00 H new ATOM 0 HA LEU A 35 0.275 -5.345 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.149 -4.603 -0.793 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.588 -5.191 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 35 0.140 -2.667 -2.442 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.882 -1.437 -1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.881 -2.431 -0.123 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.514 -2.975 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.289 -2.151 -3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.936 -3.718 -2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.584 -3.665 -4.148 1.00 0.00 H new ATOM 589 N VAL A 36 -1.568 -7.353 -2.442 1.00 0.00 N ATOM 590 CA VAL A 36 -1.841 -8.737 -2.073 1.00 0.00 C ATOM 591 C VAL A 36 -1.127 -9.113 -0.779 1.00 0.00 C ATOM 592 O VAL A 36 -0.638 -10.233 -0.629 1.00 0.00 O ATOM 593 CB VAL A 36 -1.408 -9.710 -3.186 1.00 0.00 C ATOM 594 CG1 VAL A 36 -2.085 -9.353 -4.500 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.105 -9.707 -3.338 1.00 0.00 C ATOM 0 H VAL A 36 -2.381 -6.839 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.918 -8.819 -1.927 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.719 -10.716 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.767 -10.051 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -3.167 -9.412 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.807 -8.339 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.393 -10.400 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.443 -8.703 -3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.566 -10.016 -2.400 1.00 0.00 H new ATOM 605 N CYS A 37 -1.070 -8.169 0.154 1.00 0.00 N ATOM 606 CA CYS A 37 -0.416 -8.398 1.436 1.00 0.00 C ATOM 607 C CYS A 37 -1.181 -9.431 2.260 1.00 0.00 C ATOM 608 O CYS A 37 -0.612 -10.097 3.123 1.00 0.00 O ATOM 609 CB CYS A 37 -0.304 -7.088 2.218 1.00 0.00 C ATOM 610 SG CYS A 37 -1.765 -6.702 3.235 1.00 0.00 S ATOM 0 H CYS A 37 -1.470 -7.237 0.046 1.00 0.00 H new ATOM 0 HA CYS A 37 0.585 -8.783 1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.573 -7.137 2.864 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.137 -6.271 1.516 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.568 -5.929 2.566 1.00 0.00 H new ATOM 615 N GLY A 38 -2.476 -9.556 1.986 1.00 0.00 N ATOM 616 CA GLY A 38 -3.298 -10.509 2.709 1.00 0.00 C ATOM 617 C GLY A 38 -4.185 -9.842 3.742 1.00 0.00 C ATOM 618 O GLY A 38 -4.131 -10.176 4.925 1.00 0.00 O ATOM 0 H GLY A 38 -2.970 -9.015 1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.919 -11.059 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.655 -11.238 3.203 1.00 0.00 H new ATOM 622 N ALA A 39 -5.004 -8.896 3.294 1.00 0.00 N ATOM 623 CA ALA A 39 -5.907 -8.181 4.187 1.00 0.00 C ATOM 624 C ALA A 39 -7.024 -7.497 3.407 1.00 0.00 C ATOM 625 O ALA A 39 -6.822 -7.047 2.279 1.00 0.00 O ATOM 626 CB ALA A 39 -5.135 -7.160 5.011 1.00 0.00 C ATOM 0 H ALA A 39 -5.061 -8.607 2.317 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.362 -8.907 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -5.822 -6.633 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.377 -7.670 5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.653 -6.444 4.345 1.00 0.00 H new ATOM 632 N VAL A 40 -8.204 -7.423 4.015 1.00 0.00 N ATOM 633 CA VAL A 40 -9.354 -6.794 3.376 1.00 0.00 C ATOM 634 C VAL A 40 -9.836 -5.588 4.177 1.00 0.00 C ATOM 635 O VAL A 40 -10.242 -5.719 5.332 1.00 0.00 O ATOM 636 CB VAL A 40 -10.520 -7.787 3.215 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.688 -7.128 2.497 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.059 -9.031 2.470 1.00 0.00 C ATOM 0 H VAL A 40 -8.388 -7.791 4.948 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.027 -6.466 2.389 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.858 -8.088 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.502 -7.845 2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.032 -6.270 3.074 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.368 -6.796 1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.895 -9.723 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.694 -8.749 1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.257 -9.513 3.029 1.00 0.00 H new ATOM 648 N PHE A 41 -9.788 -4.415 3.555 1.00 0.00 N ATOM 649 CA PHE A 41 -10.219 -3.185 4.210 1.00 0.00 C ATOM 650 C PHE A 41 -11.154 -2.387 3.306 1.00 0.00 C ATOM 651 O PHE A 41 -11.214 -2.617 2.098 1.00 0.00 O ATOM 652 CB PHE A 41 -9.006 -2.332 4.588 1.00 0.00 C ATOM 653 CG PHE A 41 -7.865 -2.448 3.618 1.00 0.00 C ATOM 654 CD1 PHE A 41 -6.930 -3.462 3.748 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.728 -1.544 2.578 1.00 0.00 C ATOM 656 CE1 PHE A 41 -5.878 -3.572 2.857 1.00 0.00 C ATOM 657 CE2 PHE A 41 -6.680 -1.649 1.684 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.753 -2.663 1.824 1.00 0.00 C ATOM 0 H PHE A 41 -9.455 -4.290 2.599 1.00 0.00 H new ATOM 0 HA PHE A 41 -10.761 -3.455 5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.312 -1.288 4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.661 -2.625 5.579 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.024 -4.175 4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -8.449 -0.748 2.464 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.156 -4.367 2.968 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -6.586 -0.939 0.876 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.932 -2.745 1.127 1.00 0.00 H new ATOM 668 N HIS A 42 -11.884 -1.449 3.901 1.00 0.00 N ATOM 669 CA HIS A 42 -12.817 -0.616 3.150 1.00 0.00 C ATOM 670 C HIS A 42 -12.070 0.326 2.211 1.00 0.00 C ATOM 671 O HIS A 42 -11.125 1.002 2.617 1.00 0.00 O ATOM 672 CB HIS A 42 -13.697 0.190 4.107 1.00 0.00 C ATOM 673 CG HIS A 42 -14.801 -0.611 4.724 1.00 0.00 C ATOM 674 ND1 HIS A 42 -16.012 -0.828 4.101 1.00 0.00 N ATOM 675 CD2 HIS A 42 -14.873 -1.250 5.915 1.00 0.00 C ATOM 676 CE1 HIS A 42 -16.781 -1.565 4.883 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.113 -1.835 5.989 1.00 0.00 N ATOM 0 H HIS A 42 -11.848 -1.247 4.900 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.450 -1.271 2.551 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.073 0.604 4.899 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.129 1.033 3.568 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.273 -0.475 3.180 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.099 -1.292 6.667 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -17.785 -1.891 4.656 1.00 0.00 H new ATOM 685 N SER A 43 -12.501 0.365 0.954 1.00 0.00 N ATOM 686 CA SER A 43 -11.870 1.220 -0.044 1.00 0.00 C ATOM 687 C SER A 43 -11.451 2.553 0.569 1.00 0.00 C ATOM 688 O SER A 43 -10.399 3.100 0.235 1.00 0.00 O ATOM 689 CB SER A 43 -12.824 1.462 -1.216 1.00 0.00 C ATOM 690 OG SER A 43 -13.942 2.234 -0.812 1.00 0.00 O ATOM 0 H SER A 43 -13.285 -0.186 0.603 1.00 0.00 H new ATOM 0 HA SER A 43 -10.978 0.712 -0.410 1.00 0.00 H new ATOM 0 HB2 SER A 43 -12.295 1.975 -2.020 1.00 0.00 H new ATOM 0 HB3 SER A 43 -13.163 0.507 -1.616 1.00 0.00 H new ATOM 0 HG SER A 43 -14.349 1.830 -0.018 1.00 0.00 H new ATOM 696 N CYS A 44 -12.281 3.070 1.468 1.00 0.00 N ATOM 697 CA CYS A 44 -12.000 4.339 2.129 1.00 0.00 C ATOM 698 C CYS A 44 -10.805 4.209 3.069 1.00 0.00 C ATOM 699 O CYS A 44 -9.940 5.084 3.118 1.00 0.00 O ATOM 700 CB CYS A 44 -13.227 4.814 2.909 1.00 0.00 C ATOM 701 SG CYS A 44 -13.738 3.690 4.249 1.00 0.00 S ATOM 0 H CYS A 44 -13.155 2.629 1.756 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.758 5.075 1.362 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.017 5.796 3.333 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -14.059 4.938 2.216 1.00 0.00 H new ATOM 0 HG CYS A 44 -15.023 3.778 4.423 1.00 0.00 H new ATOM 706 N LYS A 45 -10.762 3.110 3.815 1.00 0.00 N ATOM 707 CA LYS A 45 -9.674 2.862 4.753 1.00 0.00 C ATOM 708 C LYS A 45 -8.370 2.583 4.012 1.00 0.00 C ATOM 709 O LYS A 45 -7.285 2.864 4.519 1.00 0.00 O ATOM 710 CB LYS A 45 -10.017 1.683 5.665 1.00 0.00 C ATOM 711 CG LYS A 45 -11.270 1.901 6.496 1.00 0.00 C ATOM 712 CD LYS A 45 -11.039 2.925 7.595 1.00 0.00 C ATOM 713 CE LYS A 45 -12.324 3.653 7.958 1.00 0.00 C ATOM 714 NZ LYS A 45 -12.055 5.001 8.531 1.00 0.00 N ATOM 0 H LYS A 45 -11.470 2.376 3.788 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.542 3.757 5.361 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.146 0.789 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.176 1.495 6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.082 2.236 5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.583 0.955 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.639 2.428 8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -10.290 3.647 7.269 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.948 3.754 7.070 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.887 3.059 8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.886 5.610 8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.858 4.913 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.233 5.423 8.054 1.00 0.00 H new ATOM 728 N ALA A 46 -8.485 2.030 2.809 1.00 0.00 N ATOM 729 CA ALA A 46 -7.316 1.716 1.997 1.00 0.00 C ATOM 730 C ALA A 46 -6.222 2.761 2.184 1.00 0.00 C ATOM 731 O ALA A 46 -5.145 2.461 2.701 1.00 0.00 O ATOM 732 CB ALA A 46 -7.705 1.612 0.530 1.00 0.00 C ATOM 0 H ALA A 46 -9.376 1.790 2.375 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.923 0.754 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.822 1.377 -0.065 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.447 0.823 0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.125 2.561 0.197 1.00 0.00 H new ATOM 738 N ASP A 47 -6.503 3.988 1.760 1.00 0.00 N ATOM 739 CA ASP A 47 -5.542 5.078 1.881 1.00 0.00 C ATOM 740 C ASP A 47 -4.707 4.929 3.149 1.00 0.00 C ATOM 741 O ASP A 47 -3.479 4.980 3.104 1.00 0.00 O ATOM 742 CB ASP A 47 -6.266 6.426 1.887 1.00 0.00 C ATOM 743 CG ASP A 47 -5.384 7.558 1.399 1.00 0.00 C ATOM 744 OD1 ASP A 47 -4.552 7.317 0.499 1.00 0.00 O ATOM 745 OD2 ASP A 47 -5.527 8.686 1.915 1.00 0.00 O ATOM 0 H ASP A 47 -7.389 4.253 1.329 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.873 5.037 1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.153 6.362 1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.609 6.646 2.898 1.00 0.00 H new ATOM 750 N GLU A 48 -5.384 4.744 4.278 1.00 0.00 N ATOM 751 CA GLU A 48 -4.704 4.589 5.559 1.00 0.00 C ATOM 752 C GLU A 48 -3.956 3.260 5.621 1.00 0.00 C ATOM 753 O GLU A 48 -2.862 3.176 6.179 1.00 0.00 O ATOM 754 CB GLU A 48 -5.709 4.675 6.709 1.00 0.00 C ATOM 755 CG GLU A 48 -6.345 6.047 6.860 1.00 0.00 C ATOM 756 CD GLU A 48 -6.758 6.345 8.288 1.00 0.00 C ATOM 757 OE1 GLU A 48 -7.838 5.877 8.704 1.00 0.00 O ATOM 758 OE2 GLU A 48 -5.999 7.046 8.991 1.00 0.00 O ATOM 0 H GLU A 48 -6.402 4.698 4.332 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.980 5.398 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.494 3.935 6.551 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.207 4.412 7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.642 6.808 6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.219 6.111 6.212 1.00 0.00 H new ATOM 765 N HIS A 49 -4.555 2.224 5.043 1.00 0.00 N ATOM 766 CA HIS A 49 -3.947 0.898 5.032 1.00 0.00 C ATOM 767 C HIS A 49 -2.530 0.955 4.471 1.00 0.00 C ATOM 768 O HIS A 49 -1.633 0.262 4.951 1.00 0.00 O ATOM 769 CB HIS A 49 -4.796 -0.069 4.206 1.00 0.00 C ATOM 770 CG HIS A 49 -4.217 -1.447 4.115 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.433 -2.418 5.070 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.428 -2.016 3.174 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.799 -3.524 4.722 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.182 -3.306 3.574 1.00 0.00 N ATOM 0 H HIS A 49 -5.460 2.277 4.576 1.00 0.00 H new ATOM 0 HA HIS A 49 -3.898 0.540 6.060 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -5.792 -0.131 4.645 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.915 0.333 3.200 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.060 -1.543 2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.787 -4.448 5.281 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.615 -3.986 3.067 1.00 0.00 H new ATOM 782 N ARG A 50 -2.335 1.785 3.451 1.00 0.00 N ATOM 783 CA ARG A 50 -1.027 1.931 2.824 1.00 0.00 C ATOM 784 C ARG A 50 0.031 2.314 3.855 1.00 0.00 C ATOM 785 O ARG A 50 1.231 2.248 3.584 1.00 0.00 O ATOM 786 CB ARG A 50 -1.083 2.987 1.719 1.00 0.00 C ATOM 787 CG ARG A 50 -1.797 2.517 0.462 1.00 0.00 C ATOM 788 CD ARG A 50 -3.307 2.637 0.602 1.00 0.00 C ATOM 789 NE ARG A 50 -3.982 2.573 -0.692 1.00 0.00 N ATOM 790 CZ ARG A 50 -4.359 1.437 -1.268 1.00 0.00 C ATOM 791 NH1 ARG A 50 -4.127 0.277 -0.669 1.00 0.00 N ATOM 792 NH2 ARG A 50 -4.969 1.460 -2.446 1.00 0.00 N ATOM 0 H ARG A 50 -3.066 2.366 3.042 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.752 0.971 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -1.586 3.875 2.102 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.067 3.284 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.461 3.107 -0.391 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.531 1.480 0.257 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.677 1.837 1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.552 3.579 1.093 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.174 3.448 -1.180 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.658 0.255 0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -4.418 -0.594 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.149 2.350 -2.910 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.258 0.587 -2.888 1.00 0.00 H new ATOM 806 N LEU A 51 -0.422 2.716 5.038 1.00 0.00 N ATOM 807 CA LEU A 51 0.485 3.110 6.110 1.00 0.00 C ATOM 808 C LEU A 51 0.836 1.917 6.994 1.00 0.00 C ATOM 809 O LEU A 51 1.850 1.924 7.692 1.00 0.00 O ATOM 810 CB LEU A 51 -0.145 4.218 6.956 1.00 0.00 C ATOM 811 CG LEU A 51 -0.668 5.433 6.189 1.00 0.00 C ATOM 812 CD1 LEU A 51 -1.663 6.211 7.035 1.00 0.00 C ATOM 813 CD2 LEU A 51 0.485 6.329 5.759 1.00 0.00 C ATOM 0 H LEU A 51 -1.411 2.777 5.279 1.00 0.00 H new ATOM 0 HA LEU A 51 1.403 3.484 5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.971 3.789 7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.595 4.561 7.679 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.181 5.080 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.024 7.072 6.472 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.504 5.567 7.292 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.175 6.553 7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.094 7.189 5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.027 6.673 6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.161 5.768 5.114 1.00 0.00 H new ATOM 825 N LEU A 52 -0.009 0.893 6.957 1.00 0.00 N ATOM 826 CA LEU A 52 0.212 -0.310 7.753 1.00 0.00 C ATOM 827 C LEU A 52 0.762 -1.441 6.890 1.00 0.00 C ATOM 828 O LEU A 52 1.732 -2.103 7.260 1.00 0.00 O ATOM 829 CB LEU A 52 -1.093 -0.751 8.420 1.00 0.00 C ATOM 830 CG LEU A 52 -1.821 0.315 9.240 1.00 0.00 C ATOM 831 CD1 LEU A 52 -0.869 0.971 10.228 1.00 0.00 C ATOM 832 CD2 LEU A 52 -2.445 1.358 8.325 1.00 0.00 C ATOM 0 H LEU A 52 -0.853 0.871 6.385 1.00 0.00 H new ATOM 0 HA LEU A 52 0.946 -0.076 8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.770 -1.110 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.877 -1.597 9.072 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.619 -0.169 9.803 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.405 1.727 10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.470 0.216 10.905 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.049 1.441 9.686 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.959 2.108 8.926 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.664 1.838 7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.160 0.876 7.658 1.00 0.00 H new ATOM 844 N CYS A 53 0.139 -1.655 5.736 1.00 0.00 N ATOM 845 CA CYS A 53 0.566 -2.704 4.819 1.00 0.00 C ATOM 846 C CYS A 53 2.077 -2.908 4.892 1.00 0.00 C ATOM 847 O CYS A 53 2.865 -2.006 4.609 1.00 0.00 O ATOM 848 CB CYS A 53 0.157 -2.355 3.386 1.00 0.00 C ATOM 849 SG CYS A 53 0.173 -3.773 2.242 1.00 0.00 S ATOM 0 H CYS A 53 -0.664 -1.115 5.414 1.00 0.00 H new ATOM 0 HA CYS A 53 0.076 -3.632 5.114 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -0.844 -1.924 3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.829 -1.586 3.005 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.991 -3.885 1.674 1.00 0.00 H new ATOM 854 N PRO A 54 2.491 -4.123 5.282 1.00 0.00 N ATOM 855 CA PRO A 54 3.909 -4.476 5.401 1.00 0.00 C ATOM 856 C PRO A 54 4.599 -4.567 4.044 1.00 0.00 C ATOM 857 O PRO A 54 5.820 -4.710 3.966 1.00 0.00 O ATOM 858 CB PRO A 54 3.877 -5.848 6.079 1.00 0.00 C ATOM 859 CG PRO A 54 2.548 -6.416 5.722 1.00 0.00 C ATOM 860 CD PRO A 54 1.607 -5.247 5.635 1.00 0.00 C ATOM 0 HA PRO A 54 4.472 -3.725 5.956 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.688 -6.484 5.724 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.992 -5.759 7.159 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.594 -6.951 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.214 -7.130 6.475 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.838 -5.406 4.879 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.094 -5.073 6.581 1.00 0.00 H new ATOM 868 N PHE A 55 3.811 -4.484 2.978 1.00 0.00 N ATOM 869 CA PHE A 55 4.347 -4.558 1.624 1.00 0.00 C ATOM 870 C PHE A 55 4.750 -3.175 1.121 1.00 0.00 C ATOM 871 O PHE A 55 5.793 -3.012 0.490 1.00 0.00 O ATOM 872 CB PHE A 55 3.316 -5.177 0.677 1.00 0.00 C ATOM 873 CG PHE A 55 3.239 -6.674 0.772 1.00 0.00 C ATOM 874 CD1 PHE A 55 3.226 -7.304 2.006 1.00 0.00 C ATOM 875 CD2 PHE A 55 3.177 -7.451 -0.373 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.155 -8.681 2.095 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.106 -8.829 -0.290 1.00 0.00 C ATOM 878 CZ PHE A 55 3.094 -9.445 0.946 1.00 0.00 C ATOM 0 H PHE A 55 2.799 -4.365 3.025 1.00 0.00 H new ATOM 0 HA PHE A 55 5.235 -5.190 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.335 -4.756 0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.562 -4.898 -0.348 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.272 -6.712 2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.184 -6.975 -1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.147 -9.160 3.063 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.060 -9.423 -1.191 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.037 -10.521 1.014 1.00 0.00 H new ATOM 888 N GLU A 56 3.913 -2.182 1.407 1.00 0.00 N ATOM 889 CA GLU A 56 4.180 -0.812 0.983 1.00 0.00 C ATOM 890 C GLU A 56 5.679 -0.526 0.984 1.00 0.00 C ATOM 891 O GLU A 56 6.399 -0.934 1.896 1.00 0.00 O ATOM 892 CB GLU A 56 3.459 0.179 1.899 1.00 0.00 C ATOM 893 CG GLU A 56 3.094 1.485 1.214 1.00 0.00 C ATOM 894 CD GLU A 56 4.184 1.980 0.283 1.00 0.00 C ATOM 895 OE1 GLU A 56 5.149 2.600 0.775 1.00 0.00 O ATOM 896 OE2 GLU A 56 4.070 1.747 -0.939 1.00 0.00 O ATOM 0 H GLU A 56 3.045 -2.300 1.930 1.00 0.00 H new ATOM 0 HA GLU A 56 3.805 -0.693 -0.034 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.551 -0.287 2.282 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.094 0.394 2.759 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.172 1.349 0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.895 2.244 1.970 1.00 0.00 H new ATOM 903 N ARG A 57 6.142 0.179 -0.044 1.00 0.00 N ATOM 904 CA ARG A 57 7.554 0.519 -0.163 1.00 0.00 C ATOM 905 C ARG A 57 7.987 1.447 0.969 1.00 0.00 C ATOM 906 O ARG A 57 7.657 2.633 0.973 1.00 0.00 O ATOM 907 CB ARG A 57 7.829 1.182 -1.514 1.00 0.00 C ATOM 908 CG ARG A 57 9.241 1.729 -1.648 1.00 0.00 C ATOM 909 CD ARG A 57 9.605 1.981 -3.103 1.00 0.00 C ATOM 910 NE ARG A 57 9.558 0.757 -3.898 1.00 0.00 N ATOM 911 CZ ARG A 57 10.169 0.618 -5.069 1.00 0.00 C ATOM 912 NH1 ARG A 57 10.871 1.621 -5.578 1.00 0.00 N ATOM 913 NH2 ARG A 57 10.079 -0.527 -5.734 1.00 0.00 N ATOM 0 H ARG A 57 5.559 0.525 -0.806 1.00 0.00 H new ATOM 0 HA ARG A 57 8.131 -0.403 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.653 0.456 -2.308 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.118 1.995 -1.662 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.328 2.658 -1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.948 1.024 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.919 2.715 -3.526 1.00 0.00 H new ATOM 0 HD3 ARG A 57 10.605 2.411 -3.157 1.00 0.00 H new ATOM 0 HE ARG A 57 9.027 -0.034 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 57 10.943 2.503 -5.070 1.00 0.00 H new ATOM 0 HH12 ARG A 57 11.339 1.511 -6.478 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.540 -1.301 -5.346 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.549 -0.633 -6.633 1.00 0.00 H new ATOM 927 N VAL A 58 8.728 0.899 1.927 1.00 0.00 N ATOM 928 CA VAL A 58 9.206 1.677 3.063 1.00 0.00 C ATOM 929 C VAL A 58 10.730 1.723 3.095 1.00 0.00 C ATOM 930 O VAL A 58 11.412 0.756 2.755 1.00 0.00 O ATOM 931 CB VAL A 58 8.693 1.099 4.395 1.00 0.00 C ATOM 932 CG1 VAL A 58 7.181 0.931 4.358 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.377 -0.225 4.700 1.00 0.00 C ATOM 0 H VAL A 58 9.010 -0.081 1.939 1.00 0.00 H new ATOM 0 HA VAL A 58 8.817 2.688 2.941 1.00 0.00 H new ATOM 0 HB VAL A 58 8.937 1.800 5.193 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.837 0.521 5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 58 6.711 1.900 4.189 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.910 0.251 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.002 -0.619 5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.166 -0.936 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.453 -0.070 4.773 1.00 0.00 H new ATOM 943 N PRO A 59 11.278 2.873 3.514 1.00 0.00 N ATOM 944 CA PRO A 59 12.728 3.073 3.602 1.00 0.00 C ATOM 945 C PRO A 59 13.360 2.250 4.719 1.00 0.00 C ATOM 946 O PRO A 59 12.748 2.032 5.766 1.00 0.00 O ATOM 947 CB PRO A 59 12.862 4.569 3.897 1.00 0.00 C ATOM 948 CG PRO A 59 11.579 4.942 4.556 1.00 0.00 C ATOM 949 CD PRO A 59 10.526 4.066 3.935 1.00 0.00 C ATOM 0 HA PRO A 59 13.239 2.757 2.693 1.00 0.00 H new ATOM 0 HB2 PRO A 59 13.714 4.770 4.547 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.018 5.140 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.633 4.784 5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.352 5.997 4.400 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.741 3.815 4.648 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.044 4.556 3.089 1.00 0.00 H new ATOM 957 N CYS A 60 14.587 1.796 4.492 1.00 0.00 N ATOM 958 CA CYS A 60 15.303 0.997 5.479 1.00 0.00 C ATOM 959 C CYS A 60 14.979 1.464 6.895 1.00 0.00 C ATOM 960 O CYS A 60 14.911 2.663 7.165 1.00 0.00 O ATOM 961 CB CYS A 60 16.811 1.079 5.236 1.00 0.00 C ATOM 962 SG CYS A 60 17.788 -0.104 6.219 1.00 0.00 S ATOM 0 H CYS A 60 15.107 1.968 3.632 1.00 0.00 H new ATOM 0 HA CYS A 60 14.981 -0.039 5.374 1.00 0.00 H new ATOM 0 HB2 CYS A 60 17.008 0.906 4.178 1.00 0.00 H new ATOM 0 HB3 CYS A 60 17.150 2.090 5.462 1.00 0.00 H new ATOM 0 HG CYS A 60 18.747 0.527 6.829 1.00 0.00 H new ATOM 967 N LEU A 61 14.779 0.508 7.796 1.00 0.00 N ATOM 968 CA LEU A 61 14.462 0.820 9.185 1.00 0.00 C ATOM 969 C LEU A 61 15.440 1.844 9.750 1.00 0.00 C ATOM 970 O LEU A 61 15.062 2.709 10.540 1.00 0.00 O ATOM 971 CB LEU A 61 14.491 -0.453 10.034 1.00 0.00 C ATOM 972 CG LEU A 61 13.170 -1.214 10.148 1.00 0.00 C ATOM 973 CD1 LEU A 61 13.383 -2.553 10.837 1.00 0.00 C ATOM 974 CD2 LEU A 61 12.139 -0.383 10.899 1.00 0.00 C ATOM 0 H LEU A 61 14.831 -0.489 7.589 1.00 0.00 H new ATOM 0 HA LEU A 61 13.460 1.247 9.216 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.240 -1.126 9.618 1.00 0.00 H new ATOM 0 HB3 LEU A 61 14.823 -0.189 11.038 1.00 0.00 H new ATOM 0 HG LEU A 61 12.793 -1.402 9.143 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.432 -3.080 10.909 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.087 -3.152 10.259 1.00 0.00 H new ATOM 0 HD13 LEU A 61 13.783 -2.388 11.837 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.205 -0.940 10.971 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.508 -0.163 11.901 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.964 0.550 10.364 1.00 0.00 H new ATOM 986 N ASN A 62 16.700 1.742 9.338 1.00 0.00 N ATOM 987 CA ASN A 62 17.733 2.661 9.802 1.00 0.00 C ATOM 988 C ASN A 62 17.889 3.834 8.840 1.00 0.00 C ATOM 989 O ASN A 62 19.004 4.273 8.556 1.00 0.00 O ATOM 990 CB ASN A 62 19.068 1.927 9.951 1.00 0.00 C ATOM 991 CG ASN A 62 18.947 0.674 10.796 1.00 0.00 C ATOM 992 OD1 ASN A 62 18.856 0.744 12.022 1.00 0.00 O ATOM 993 ND2 ASN A 62 18.948 -0.482 10.142 1.00 0.00 N ATOM 0 H ASN A 62 17.030 1.032 8.684 1.00 0.00 H new ATOM 0 HA ASN A 62 17.429 3.050 10.774 1.00 0.00 H new ATOM 0 HB2 ASN A 62 19.446 1.661 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 62 19.800 2.597 10.402 1.00 0.00 H new ATOM 0 HD21 ASN A 62 18.871 -1.359 10.657 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.025 -0.493 9.125 1.00 0.00 H new ATOM 1000 N SER A 63 16.764 4.338 8.342 1.00 0.00 N ATOM 1001 CA SER A 63 16.776 5.459 7.409 1.00 0.00 C ATOM 1002 C SER A 63 17.616 6.610 7.954 1.00 0.00 C ATOM 1003 O SER A 63 18.388 7.230 7.222 1.00 0.00 O ATOM 1004 CB SER A 63 15.349 5.937 7.136 1.00 0.00 C ATOM 1005 OG SER A 63 14.855 6.711 8.216 1.00 0.00 O ATOM 0 H SER A 63 15.833 3.988 8.569 1.00 0.00 H new ATOM 0 HA SER A 63 17.222 5.118 6.475 1.00 0.00 H new ATOM 0 HB2 SER A 63 15.329 6.529 6.221 1.00 0.00 H new ATOM 0 HB3 SER A 63 14.699 5.077 6.973 1.00 0.00 H new ATOM 0 HG SER A 63 13.942 7.006 8.016 1.00 0.00 H new ATOM 1011 N ASP A 64 17.458 6.891 9.242 1.00 0.00 N ATOM 1012 CA ASP A 64 18.202 7.967 9.887 1.00 0.00 C ATOM 1013 C ASP A 64 19.650 7.990 9.408 1.00 0.00 C ATOM 1014 O ASP A 64 20.153 9.024 8.968 1.00 0.00 O ATOM 1015 CB ASP A 64 18.157 7.807 11.407 1.00 0.00 C ATOM 1016 CG ASP A 64 16.755 7.542 11.921 1.00 0.00 C ATOM 1017 OD1 ASP A 64 16.249 6.420 11.710 1.00 0.00 O ATOM 1018 OD2 ASP A 64 16.164 8.457 12.532 1.00 0.00 O ATOM 0 H ASP A 64 16.821 6.389 9.861 1.00 0.00 H new ATOM 0 HA ASP A 64 17.733 8.913 9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 64 18.810 6.986 11.702 1.00 0.00 H new ATOM 0 HB3 ASP A 64 18.548 8.710 11.876 1.00 0.00 H new ATOM 1023 N PHE A 65 20.316 6.843 9.498 1.00 0.00 N ATOM 1024 CA PHE A 65 21.707 6.732 9.076 1.00 0.00 C ATOM 1025 C PHE A 65 21.893 7.285 7.665 1.00 0.00 C ATOM 1026 O PHE A 65 22.862 7.989 7.386 1.00 0.00 O ATOM 1027 CB PHE A 65 22.163 5.272 9.128 1.00 0.00 C ATOM 1028 CG PHE A 65 22.545 4.812 10.505 1.00 0.00 C ATOM 1029 CD1 PHE A 65 21.602 4.760 11.519 1.00 0.00 C ATOM 1030 CD2 PHE A 65 23.847 4.433 10.787 1.00 0.00 C ATOM 1031 CE1 PHE A 65 21.950 4.337 12.788 1.00 0.00 C ATOM 1032 CE2 PHE A 65 24.201 4.008 12.054 1.00 0.00 C ATOM 1033 CZ PHE A 65 23.252 3.962 13.056 1.00 0.00 C ATOM 0 H PHE A 65 19.915 5.978 9.859 1.00 0.00 H new ATOM 0 HA PHE A 65 22.317 7.320 9.761 1.00 0.00 H new ATOM 0 HB2 PHE A 65 21.362 4.636 8.750 1.00 0.00 H new ATOM 0 HB3 PHE A 65 23.015 5.142 8.461 1.00 0.00 H new ATOM 0 HD1 PHE A 65 20.583 5.054 11.315 1.00 0.00 H new ATOM 0 HD2 PHE A 65 24.594 4.470 10.008 1.00 0.00 H new ATOM 0 HE1 PHE A 65 21.205 4.300 13.569 1.00 0.00 H new ATOM 0 HE2 PHE A 65 25.219 3.712 12.260 1.00 0.00 H new ATOM 0 HZ PHE A 65 23.527 3.633 14.047 1.00 0.00 H new ATOM 1043 N GLY A 66 20.957 6.958 6.780 1.00 0.00 N ATOM 1044 CA GLY A 66 21.036 7.429 5.409 1.00 0.00 C ATOM 1045 C GLY A 66 21.097 6.292 4.408 1.00 0.00 C ATOM 1046 O GLY A 66 21.916 6.309 3.488 1.00 0.00 O ATOM 0 H GLY A 66 20.146 6.376 6.987 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.170 8.054 5.192 1.00 0.00 H new ATOM 0 HA3 GLY A 66 21.919 8.058 5.294 1.00 0.00 H new ATOM 1050 N CYS A 67 20.231 5.301 4.587 1.00 0.00 N ATOM 1051 CA CYS A 67 20.191 4.149 3.694 1.00 0.00 C ATOM 1052 C CYS A 67 19.257 4.407 2.515 1.00 0.00 C ATOM 1053 O CYS A 67 18.036 4.464 2.659 1.00 0.00 O ATOM 1054 CB CYS A 67 19.736 2.903 4.456 1.00 0.00 C ATOM 1055 SG CYS A 67 20.412 1.343 3.800 1.00 0.00 S ATOM 0 H CYS A 67 19.547 5.272 5.343 1.00 0.00 H new ATOM 0 HA CYS A 67 21.197 3.984 3.308 1.00 0.00 H new ATOM 0 HB2 CYS A 67 20.028 3.002 5.501 1.00 0.00 H new ATOM 0 HB3 CYS A 67 18.647 2.853 4.433 1.00 0.00 H new ATOM 0 HG CYS A 67 20.644 0.523 4.782 1.00 0.00 H new ATOM 1060 N PRO A 68 19.844 4.567 1.320 1.00 0.00 N ATOM 1061 CA PRO A 68 19.084 4.821 0.092 1.00 0.00 C ATOM 1062 C PRO A 68 18.281 3.604 -0.355 1.00 0.00 C ATOM 1063 O PRO A 68 17.622 3.630 -1.394 1.00 0.00 O ATOM 1064 CB PRO A 68 20.169 5.153 -0.935 1.00 0.00 C ATOM 1065 CG PRO A 68 21.393 4.473 -0.426 1.00 0.00 C ATOM 1066 CD PRO A 68 21.295 4.512 1.074 1.00 0.00 C ATOM 0 HA PRO A 68 18.348 5.614 0.225 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.899 4.791 -1.927 1.00 0.00 H new ATOM 0 HB3 PRO A 68 20.320 6.229 -1.018 1.00 0.00 H new ATOM 0 HG2 PRO A 68 21.447 3.446 -0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 68 22.294 4.980 -0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.747 3.631 1.529 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.806 5.381 1.488 1.00 0.00 H new ATOM 1074 N PHE A 69 18.342 2.538 0.437 1.00 0.00 N ATOM 1075 CA PHE A 69 17.621 1.310 0.122 1.00 0.00 C ATOM 1076 C PHE A 69 16.157 1.416 0.540 1.00 0.00 C ATOM 1077 O PHE A 69 15.837 1.986 1.584 1.00 0.00 O ATOM 1078 CB PHE A 69 18.277 0.116 0.817 1.00 0.00 C ATOM 1079 CG PHE A 69 19.527 -0.363 0.135 1.00 0.00 C ATOM 1080 CD1 PHE A 69 19.464 -1.327 -0.858 1.00 0.00 C ATOM 1081 CD2 PHE A 69 20.764 0.152 0.487 1.00 0.00 C ATOM 1082 CE1 PHE A 69 20.612 -1.769 -1.486 1.00 0.00 C ATOM 1083 CE2 PHE A 69 21.916 -0.287 -0.138 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.840 -1.248 -1.127 1.00 0.00 C ATOM 0 H PHE A 69 18.883 2.500 1.301 1.00 0.00 H new ATOM 0 HA PHE A 69 17.662 1.161 -0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.516 0.390 1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.561 -0.705 0.864 1.00 0.00 H new ATOM 0 HD1 PHE A 69 18.507 -1.737 -1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 69 20.829 0.905 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 69 20.550 -2.522 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 69 22.875 0.121 0.147 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.738 -1.591 -1.618 1.00 0.00 H new ATOM 1094 N THR A 70 15.271 0.863 -0.282 1.00 0.00 N ATOM 1095 CA THR A 70 13.842 0.896 0.001 1.00 0.00 C ATOM 1096 C THR A 70 13.170 -0.410 -0.408 1.00 0.00 C ATOM 1097 O THR A 70 13.360 -0.894 -1.524 1.00 0.00 O ATOM 1098 CB THR A 70 13.152 2.064 -0.727 1.00 0.00 C ATOM 1099 OG1 THR A 70 13.610 2.136 -2.082 1.00 0.00 O ATOM 1100 CG2 THR A 70 13.432 3.383 -0.022 1.00 0.00 C ATOM 0 H THR A 70 15.518 0.387 -1.149 1.00 0.00 H new ATOM 0 HA THR A 70 13.736 1.035 1.077 1.00 0.00 H new ATOM 0 HB THR A 70 12.077 1.885 -0.716 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.638 1.235 -2.466 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.934 4.193 -0.555 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.056 3.336 1.000 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.506 3.566 -0.006 1.00 0.00 H new ATOM 1108 N MET A 71 12.384 -0.976 0.502 1.00 0.00 N ATOM 1109 CA MET A 71 11.682 -2.226 0.233 1.00 0.00 C ATOM 1110 C MET A 71 10.481 -2.386 1.161 1.00 0.00 C ATOM 1111 O MET A 71 10.255 -1.560 2.045 1.00 0.00 O ATOM 1112 CB MET A 71 12.631 -3.415 0.400 1.00 0.00 C ATOM 1113 CG MET A 71 13.427 -3.380 1.694 1.00 0.00 C ATOM 1114 SD MET A 71 14.962 -2.446 1.541 1.00 0.00 S ATOM 1115 CE MET A 71 14.713 -1.178 2.782 1.00 0.00 C ATOM 0 H MET A 71 12.217 -0.590 1.431 1.00 0.00 H new ATOM 0 HA MET A 71 11.323 -2.198 -0.796 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.053 -4.338 0.363 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.323 -3.438 -0.442 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.815 -2.939 2.481 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.656 -4.400 2.003 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.323 -0.308 2.540 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.662 -0.890 2.802 1.00 0.00 H new ATOM 0 HE3 MET A 71 15.002 -1.564 3.760 1.00 0.00 H new ATOM 1125 N ALA A 72 9.716 -3.452 0.952 1.00 0.00 N ATOM 1126 CA ALA A 72 8.540 -3.719 1.771 1.00 0.00 C ATOM 1127 C ALA A 72 8.914 -3.853 3.243 1.00 0.00 C ATOM 1128 O ALA A 72 9.848 -4.575 3.592 1.00 0.00 O ATOM 1129 CB ALA A 72 7.835 -4.978 1.287 1.00 0.00 C ATOM 0 H ALA A 72 9.889 -4.144 0.223 1.00 0.00 H new ATOM 0 HA ALA A 72 7.860 -2.873 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.959 -5.166 1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.524 -4.845 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.516 -5.826 1.356 1.00 0.00 H new ATOM 1135 N ARG A 73 8.181 -3.152 4.101 1.00 0.00 N ATOM 1136 CA ARG A 73 8.438 -3.191 5.536 1.00 0.00 C ATOM 1137 C ARG A 73 8.691 -4.621 6.004 1.00 0.00 C ATOM 1138 O ARG A 73 9.338 -4.845 7.026 1.00 0.00 O ATOM 1139 CB ARG A 73 7.258 -2.593 6.304 1.00 0.00 C ATOM 1140 CG ARG A 73 7.577 -2.267 7.754 1.00 0.00 C ATOM 1141 CD ARG A 73 6.396 -1.607 8.449 1.00 0.00 C ATOM 1142 NE ARG A 73 6.213 -0.223 8.021 1.00 0.00 N ATOM 1143 CZ ARG A 73 7.042 0.763 8.348 1.00 0.00 C ATOM 1144 NH1 ARG A 73 8.105 0.518 9.101 1.00 0.00 N ATOM 1145 NH2 ARG A 73 6.808 1.997 7.920 1.00 0.00 N ATOM 0 H ARG A 73 7.404 -2.550 3.828 1.00 0.00 H new ATOM 0 HA ARG A 73 9.330 -2.598 5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.931 -1.684 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.423 -3.293 6.273 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.847 -3.181 8.283 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.442 -1.606 7.798 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.489 -2.174 8.240 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.548 -1.636 9.528 1.00 0.00 H new ATOM 0 HE ARG A 73 5.405 -0.001 7.439 1.00 0.00 H new ATOM 0 HH11 ARG A 73 8.289 -0.429 9.431 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.739 1.277 9.350 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.991 2.189 7.340 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.445 2.753 8.171 1.00 0.00 H new ATOM 1159 N ASN A 74 8.176 -5.586 5.248 1.00 0.00 N ATOM 1160 CA ASN A 74 8.345 -6.994 5.586 1.00 0.00 C ATOM 1161 C ASN A 74 9.639 -7.544 4.995 1.00 0.00 C ATOM 1162 O ASN A 74 10.327 -8.351 5.621 1.00 0.00 O ATOM 1163 CB ASN A 74 7.153 -7.809 5.079 1.00 0.00 C ATOM 1164 CG ASN A 74 7.449 -9.295 5.025 1.00 0.00 C ATOM 1165 OD1 ASN A 74 8.352 -9.784 5.704 1.00 0.00 O ATOM 1166 ND2 ASN A 74 6.688 -10.021 4.215 1.00 0.00 N ATOM 0 H ASN A 74 7.638 -5.418 4.398 1.00 0.00 H new ATOM 0 HA ASN A 74 8.398 -7.077 6.672 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.295 -7.636 5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.875 -7.460 4.084 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.841 -11.026 4.137 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.951 -9.573 3.671 1.00 0.00 H new ATOM 1173 N LYS A 75 9.966 -7.101 3.786 1.00 0.00 N ATOM 1174 CA LYS A 75 11.178 -7.546 3.109 1.00 0.00 C ATOM 1175 C LYS A 75 12.369 -6.676 3.499 1.00 0.00 C ATOM 1176 O LYS A 75 13.329 -6.545 2.740 1.00 0.00 O ATOM 1177 CB LYS A 75 10.982 -7.511 1.591 1.00 0.00 C ATOM 1178 CG LYS A 75 10.480 -8.822 1.012 1.00 0.00 C ATOM 1179 CD LYS A 75 9.114 -9.191 1.568 1.00 0.00 C ATOM 1180 CE LYS A 75 7.993 -8.648 0.695 1.00 0.00 C ATOM 1181 NZ LYS A 75 7.886 -9.386 -0.594 1.00 0.00 N ATOM 0 H LYS A 75 9.408 -6.433 3.254 1.00 0.00 H new ATOM 0 HA LYS A 75 11.382 -8.571 3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.275 -6.719 1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.929 -7.253 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.423 -8.743 -0.074 1.00 0.00 H new ATOM 0 HG3 LYS A 75 11.192 -9.616 1.237 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.029 -10.275 1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 75 9.013 -8.797 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.048 -8.718 1.233 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.168 -7.591 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.954 -9.208 -1.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.630 -9.060 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.999 -10.405 -0.421 1.00 0.00 H new ATOM 1195 N VAL A 76 12.300 -6.085 4.687 1.00 0.00 N ATOM 1196 CA VAL A 76 13.374 -5.230 5.179 1.00 0.00 C ATOM 1197 C VAL A 76 14.478 -6.054 5.832 1.00 0.00 C ATOM 1198 O VAL A 76 15.660 -5.735 5.710 1.00 0.00 O ATOM 1199 CB VAL A 76 12.850 -4.198 6.195 1.00 0.00 C ATOM 1200 CG1 VAL A 76 11.812 -3.293 5.549 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.272 -4.899 7.415 1.00 0.00 C ATOM 0 H VAL A 76 11.512 -6.182 5.327 1.00 0.00 H new ATOM 0 HA VAL A 76 13.780 -4.704 4.315 1.00 0.00 H new ATOM 0 HB VAL A 76 13.685 -3.578 6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 76 11.453 -2.570 6.282 1.00 0.00 H new ATOM 0 HG12 VAL A 76 12.262 -2.765 4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.976 -3.895 5.193 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.906 -4.155 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.448 -5.544 7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.047 -5.501 7.890 1.00 0.00 H new ATOM 1211 N ALA A 77 14.084 -7.117 6.525 1.00 0.00 N ATOM 1212 CA ALA A 77 15.040 -7.990 7.195 1.00 0.00 C ATOM 1213 C ALA A 77 16.085 -8.514 6.216 1.00 0.00 C ATOM 1214 O ALA A 77 17.285 -8.348 6.428 1.00 0.00 O ATOM 1215 CB ALA A 77 14.316 -9.147 7.868 1.00 0.00 C ATOM 0 H ALA A 77 13.109 -7.395 6.637 1.00 0.00 H new ATOM 0 HA ALA A 77 15.556 -7.406 7.957 1.00 0.00 H new ATOM 0 HB1 ALA A 77 15.042 -9.791 8.364 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.613 -8.757 8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.774 -9.723 7.118 1.00 0.00 H new ATOM 1221 N GLU A 78 15.619 -9.149 5.144 1.00 0.00 N ATOM 1222 CA GLU A 78 16.515 -9.699 4.134 1.00 0.00 C ATOM 1223 C GLU A 78 17.588 -8.684 3.748 1.00 0.00 C ATOM 1224 O GLU A 78 18.682 -9.053 3.319 1.00 0.00 O ATOM 1225 CB GLU A 78 15.724 -10.119 2.893 1.00 0.00 C ATOM 1226 CG GLU A 78 15.242 -11.559 2.937 1.00 0.00 C ATOM 1227 CD GLU A 78 14.380 -11.922 1.744 1.00 0.00 C ATOM 1228 OE1 GLU A 78 13.436 -11.164 1.441 1.00 0.00 O ATOM 1229 OE2 GLU A 78 14.651 -12.965 1.112 1.00 0.00 O ATOM 0 H GLU A 78 14.628 -9.295 4.953 1.00 0.00 H new ATOM 0 HA GLU A 78 17.005 -10.576 4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.863 -9.460 2.781 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.348 -9.981 2.010 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.104 -12.226 2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.674 -11.720 3.853 1.00 0.00 H new ATOM 1236 N HIS A 79 17.266 -7.404 3.902 1.00 0.00 N ATOM 1237 CA HIS A 79 18.201 -6.335 3.570 1.00 0.00 C ATOM 1238 C HIS A 79 19.013 -5.923 4.795 1.00 0.00 C ATOM 1239 O HIS A 79 20.208 -5.644 4.695 1.00 0.00 O ATOM 1240 CB HIS A 79 17.450 -5.126 3.012 1.00 0.00 C ATOM 1241 CG HIS A 79 18.240 -3.855 3.061 1.00 0.00 C ATOM 1242 ND1 HIS A 79 19.203 -3.531 2.129 1.00 0.00 N ATOM 1243 CD2 HIS A 79 18.204 -2.823 3.936 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.727 -2.356 2.430 1.00 0.00 C ATOM 1245 NE2 HIS A 79 19.137 -1.905 3.522 1.00 0.00 N ATOM 0 H HIS A 79 16.365 -7.082 4.255 1.00 0.00 H new ATOM 0 HA HIS A 79 18.887 -6.710 2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 79 17.168 -5.329 1.979 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.526 -4.992 3.574 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.561 -2.738 4.799 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.505 -1.851 1.877 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.341 -1.018 3.983 1.00 0.00 H new ATOM 1253 N LEU A 80 18.356 -5.887 5.949 1.00 0.00 N ATOM 1254 CA LEU A 80 19.016 -5.508 7.193 1.00 0.00 C ATOM 1255 C LEU A 80 20.287 -6.325 7.406 1.00 0.00 C ATOM 1256 O LEU A 80 21.336 -5.779 7.745 1.00 0.00 O ATOM 1257 CB LEU A 80 18.067 -5.704 8.377 1.00 0.00 C ATOM 1258 CG LEU A 80 17.029 -4.602 8.594 1.00 0.00 C ATOM 1259 CD1 LEU A 80 15.963 -5.059 9.577 1.00 0.00 C ATOM 1260 CD2 LEU A 80 17.700 -3.327 9.086 1.00 0.00 C ATOM 0 H LEU A 80 17.367 -6.116 6.049 1.00 0.00 H new ATOM 0 HA LEU A 80 19.289 -4.455 7.124 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.541 -6.649 8.243 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.664 -5.797 9.284 1.00 0.00 H new ATOM 0 HG LEU A 80 16.547 -4.390 7.640 1.00 0.00 H new ATOM 0 HD11 LEU A 80 15.233 -4.262 9.719 1.00 0.00 H new ATOM 0 HD12 LEU A 80 15.462 -5.944 9.185 1.00 0.00 H new ATOM 0 HD13 LEU A 80 16.428 -5.299 10.533 1.00 0.00 H new ATOM 0 HD21 LEU A 80 16.947 -2.554 9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 80 18.209 -3.524 10.029 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.426 -2.989 8.346 1.00 0.00 H new ATOM 1272 N GLU A 81 20.184 -7.634 7.201 1.00 0.00 N ATOM 1273 CA GLU A 81 21.326 -8.525 7.370 1.00 0.00 C ATOM 1274 C GLU A 81 22.495 -8.082 6.494 1.00 0.00 C ATOM 1275 O GLU A 81 23.652 -8.134 6.912 1.00 0.00 O ATOM 1276 CB GLU A 81 20.935 -9.964 7.026 1.00 0.00 C ATOM 1277 CG GLU A 81 20.442 -10.136 5.599 1.00 0.00 C ATOM 1278 CD GLU A 81 20.334 -11.593 5.192 1.00 0.00 C ATOM 1279 OE1 GLU A 81 19.997 -12.428 6.057 1.00 0.00 O ATOM 1280 OE2 GLU A 81 20.586 -11.897 4.007 1.00 0.00 O ATOM 0 H GLU A 81 19.322 -8.101 6.918 1.00 0.00 H new ATOM 0 HA GLU A 81 21.637 -8.480 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 81 21.796 -10.613 7.185 1.00 0.00 H new ATOM 0 HB3 GLU A 81 20.156 -10.294 7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 81 19.467 -9.660 5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 81 21.121 -9.622 4.919 1.00 0.00 H new ATOM 1287 N MET A 82 22.184 -7.647 5.278 1.00 0.00 N ATOM 1288 CA MET A 82 23.208 -7.194 4.343 1.00 0.00 C ATOM 1289 C MET A 82 23.189 -5.675 4.210 1.00 0.00 C ATOM 1290 O MET A 82 23.722 -5.119 3.249 1.00 0.00 O ATOM 1291 CB MET A 82 23.000 -7.841 2.972 1.00 0.00 C ATOM 1292 CG MET A 82 21.686 -7.456 2.312 1.00 0.00 C ATOM 1293 SD MET A 82 21.679 -7.778 0.538 1.00 0.00 S ATOM 1294 CE MET A 82 21.722 -9.568 0.519 1.00 0.00 C ATOM 0 H MET A 82 21.231 -7.598 4.916 1.00 0.00 H new ATOM 0 HA MET A 82 24.180 -7.494 4.734 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.823 -7.557 2.317 1.00 0.00 H new ATOM 0 HB3 MET A 82 23.039 -8.925 3.081 1.00 0.00 H new ATOM 0 HG2 MET A 82 20.873 -8.010 2.781 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.493 -6.397 2.486 1.00 0.00 H new ATOM 0 HE1 MET A 82 21.704 -9.921 -0.512 1.00 0.00 H new ATOM 0 HE2 MET A 82 22.633 -9.915 1.006 1.00 0.00 H new ATOM 0 HE3 MET A 82 20.855 -9.958 1.052 1.00 0.00 H new ATOM 1304 N CYS A 83 22.571 -5.008 5.179 1.00 0.00 N ATOM 1305 CA CYS A 83 22.481 -3.553 5.169 1.00 0.00 C ATOM 1306 C CYS A 83 23.712 -2.928 5.820 1.00 0.00 C ATOM 1307 O CYS A 83 24.211 -3.398 6.842 1.00 0.00 O ATOM 1308 CB CYS A 83 21.217 -3.094 5.899 1.00 0.00 C ATOM 1309 SG CYS A 83 21.224 -1.333 6.362 1.00 0.00 S ATOM 0 H CYS A 83 22.125 -5.452 5.981 1.00 0.00 H new ATOM 0 HA CYS A 83 22.433 -3.224 4.131 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.353 -3.288 5.264 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.092 -3.695 6.800 1.00 0.00 H new ATOM 0 HG CYS A 83 20.011 -0.868 6.317 1.00 0.00 H new ATOM 1314 N PRO A 84 24.214 -1.842 5.213 1.00 0.00 N ATOM 1315 CA PRO A 84 25.392 -1.128 5.716 1.00 0.00 C ATOM 1316 C PRO A 84 25.110 -0.391 7.020 1.00 0.00 C ATOM 1317 O PRO A 84 25.948 -0.361 7.921 1.00 0.00 O ATOM 1318 CB PRO A 84 25.709 -0.134 4.597 1.00 0.00 C ATOM 1319 CG PRO A 84 24.409 0.081 3.901 1.00 0.00 C ATOM 1320 CD PRO A 84 23.671 -1.227 3.991 1.00 0.00 C ATOM 0 HA PRO A 84 26.213 -1.807 5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.103 0.800 4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.462 -0.531 3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.841 0.883 4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.566 0.370 2.862 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.594 -1.076 4.062 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.849 -1.850 3.114 1.00 0.00 H new ATOM 1328 N ALA A 85 23.925 0.204 7.114 1.00 0.00 N ATOM 1329 CA ALA A 85 23.532 0.940 8.310 1.00 0.00 C ATOM 1330 C ALA A 85 23.575 0.045 9.544 1.00 0.00 C ATOM 1331 O ALA A 85 23.896 0.500 10.641 1.00 0.00 O ATOM 1332 CB ALA A 85 22.142 1.531 8.132 1.00 0.00 C ATOM 0 H ALA A 85 23.221 0.191 6.376 1.00 0.00 H new ATOM 0 HA ALA A 85 24.244 1.752 8.458 1.00 0.00 H new ATOM 0 HB1 ALA A 85 21.861 2.078 9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 85 22.142 2.211 7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 85 21.425 0.729 7.956 1.00 0.00 H new ATOM 1338 N SER A 86 23.249 -1.230 9.356 1.00 0.00 N ATOM 1339 CA SER A 86 23.245 -2.188 10.456 1.00 0.00 C ATOM 1340 C SER A 86 24.632 -2.301 11.081 1.00 0.00 C ATOM 1341 O SER A 86 24.780 -2.766 12.212 1.00 0.00 O ATOM 1342 CB SER A 86 22.782 -3.560 9.963 1.00 0.00 C ATOM 1343 OG SER A 86 23.843 -4.264 9.341 1.00 0.00 O ATOM 0 H SER A 86 22.984 -1.623 8.453 1.00 0.00 H new ATOM 0 HA SER A 86 22.551 -1.830 11.216 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.399 -4.141 10.802 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.960 -3.438 9.258 1.00 0.00 H new ATOM 0 HG SER A 86 23.783 -4.154 8.369 1.00 0.00 H new