USER MOD reduce.3.24.130724 H: found=0, std=0, add=601, rem=0, adj=21 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 -141:sc= 0.74 USER MOD Set 1.2: A 67 CYS SG : rot 146:sc= -0.732 USER MOD Set 1.3: A 71 MET CE :methyl -175:sc= -3.21 (180deg=-3.32) USER MOD Set 1.4: A 79 HIS : no HD1:sc= -4.28! K(o=-7.5!,f=-6.2) USER MOD Set 1.5: A 83 CYS SG : rot 149:sc= 0.003 USER MOD Set 2.1: A 62 ASN : amide:sc= -0.975 K(o=-1.1,f=0.02) USER MOD Set 2.2: A 86 SER OG : rot 170:sc= -0.0933 USER MOD Set 3.1: A 33 CYS SG : rot 177:sc= -1.47 USER MOD Set 3.2: A 37 CYS SG : rot -118:sc= 0.0585 USER MOD Set 3.3: A 49 HIS : no HD1:sc= -11.9! C(o=-14!,f=-14!) USER MOD Set 3.4: A 53 CYS SG : rot 96:sc= -0.561 USER MOD Set 4.1: A 7 HIS : no HD1:sc= -2.56! K(o=-13!,f=-12) USER MOD Set 4.2: A 9 HIS : no HD1:sc= -5.8! C(o=-13!,f=-12!) USER MOD Set 4.3: A 10 CYS SG : rot 148:sc= -1.69 USER MOD Set 4.4: A 13 CYS SG : rot 150:sc= 0.0183 USER MOD Set 4.5: A 18 CYS SG : rot -148:sc= -0.0981 USER MOD Set 4.6: A 20 THR OG1 : rot -170:sc= 0 USER MOD Set 4.7: A 28 CYS SG : rot -62:sc= -0.749 USER MOD Set 4.8: A 42 HIS : no HE2:sc= -0.335 K(o=-13,f=-16) USER MOD Set 4.9: A 43 SER OG : rot -55:sc= -0.118 USER MOD Set 4.10: A 44 CYS SG : rot -120:sc= -1.84! USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc=-0.00655 X(o=-0.0066,f=-0.17) 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 27 SER OG : rot -67:sc= -0.0255 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.115 USER MOD Single : A 70 THR OG1 : rot 43:sc= 0.0225 USER MOD Single : A 74 ASN : amide:sc= -0.812 K(o=-0.81,f=-0.006) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 147 N GLN A 6 -15.940 10.278 5.688 1.00 0.00 N ATOM 148 CA GLN A 6 -15.681 9.026 6.389 1.00 0.00 C ATOM 149 C GLN A 6 -16.944 8.176 6.470 1.00 0.00 C ATOM 150 O GLN A 6 -18.052 8.669 6.253 1.00 0.00 O ATOM 151 CB GLN A 6 -15.149 9.306 7.796 1.00 0.00 C ATOM 152 CG GLN A 6 -16.204 9.845 8.749 1.00 0.00 C ATOM 153 CD GLN A 6 -15.685 10.005 10.164 1.00 0.00 C ATOM 154 OE1 GLN A 6 -14.769 10.787 10.417 1.00 0.00 O ATOM 155 NE2 GLN A 6 -16.270 9.262 11.097 1.00 0.00 N ATOM 0 HA GLN A 6 -14.929 8.473 5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.735 8.386 8.209 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.331 10.023 7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.558 10.809 8.385 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.061 9.172 8.754 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.026 8.626 10.843 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -15.963 9.327 12.068 1.00 0.00 H new ATOM 164 N HIS A 7 -16.771 6.896 6.784 1.00 0.00 N ATOM 165 CA HIS A 7 -17.899 5.977 6.894 1.00 0.00 C ATOM 166 C HIS A 7 -18.003 5.412 8.308 1.00 0.00 C ATOM 167 O HIS A 7 -17.122 4.681 8.761 1.00 0.00 O ATOM 168 CB HIS A 7 -17.754 4.836 5.886 1.00 0.00 C ATOM 169 CG HIS A 7 -17.793 5.290 4.459 1.00 0.00 C ATOM 170 ND1 HIS A 7 -16.996 4.746 3.474 1.00 0.00 N ATOM 171 CD2 HIS A 7 -18.542 6.240 3.853 1.00 0.00 C ATOM 172 CE1 HIS A 7 -17.251 5.343 2.324 1.00 0.00 C ATOM 173 NE2 HIS A 7 -18.186 6.254 2.526 1.00 0.00 N ATOM 0 H HIS A 7 -15.862 6.472 6.967 1.00 0.00 H new ATOM 0 HA HIS A 7 -18.811 6.532 6.675 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -16.812 4.318 6.069 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -18.553 4.113 6.051 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -19.282 6.870 4.324 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.776 5.124 1.379 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -18.580 6.868 1.813 1.00 0.00 H new ATOM 181 N SER A 8 -19.085 5.756 8.999 1.00 0.00 N ATOM 182 CA SER A 8 -19.302 5.287 10.362 1.00 0.00 C ATOM 183 C SER A 8 -19.030 3.790 10.472 1.00 0.00 C ATOM 184 O SER A 8 -18.187 3.357 11.259 1.00 0.00 O ATOM 185 CB SER A 8 -20.735 5.590 10.806 1.00 0.00 C ATOM 186 OG SER A 8 -20.822 6.869 11.410 1.00 0.00 O ATOM 0 H SER A 8 -19.825 6.358 8.637 1.00 0.00 H new ATOM 0 HA SER A 8 -18.607 5.814 11.016 1.00 0.00 H new ATOM 0 HB2 SER A 8 -21.403 5.544 9.946 1.00 0.00 H new ATOM 0 HB3 SER A 8 -21.070 4.828 11.510 1.00 0.00 H new ATOM 0 HG SER A 8 -21.748 7.039 11.683 1.00 0.00 H new ATOM 192 N HIS A 9 -19.748 3.004 9.676 1.00 0.00 N ATOM 193 CA HIS A 9 -19.584 1.555 9.683 1.00 0.00 C ATOM 194 C HIS A 9 -18.119 1.173 9.498 1.00 0.00 C ATOM 195 O HIS A 9 -17.518 0.539 10.365 1.00 0.00 O ATOM 196 CB HIS A 9 -20.432 0.920 8.579 1.00 0.00 C ATOM 197 CG HIS A 9 -20.029 -0.484 8.249 1.00 0.00 C ATOM 198 ND1 HIS A 9 -20.632 -1.592 8.808 1.00 0.00 N ATOM 199 CD2 HIS A 9 -19.079 -0.959 7.409 1.00 0.00 C ATOM 200 CE1 HIS A 9 -20.069 -2.686 8.327 1.00 0.00 C ATOM 201 NE2 HIS A 9 -19.124 -2.329 7.476 1.00 0.00 N ATOM 0 H HIS A 9 -20.449 3.346 9.018 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.919 1.181 10.650 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -21.478 0.927 8.886 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.360 1.531 7.679 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.410 -0.369 6.800 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -20.336 -3.700 8.586 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -18.525 -2.968 6.953 1.00 0.00 H new ATOM 209 N CYS A 10 -17.549 1.563 8.362 1.00 0.00 N ATOM 210 CA CYS A 10 -16.155 1.261 8.063 1.00 0.00 C ATOM 211 C CYS A 10 -15.255 1.623 9.240 1.00 0.00 C ATOM 212 O CYS A 10 -14.617 0.756 9.838 1.00 0.00 O ATOM 213 CB CYS A 10 -15.705 2.018 6.811 1.00 0.00 C ATOM 214 SG CYS A 10 -16.821 1.825 5.384 1.00 0.00 S ATOM 0 H CYS A 10 -18.032 2.089 7.634 1.00 0.00 H new ATOM 0 HA CYS A 10 -16.072 0.189 7.882 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -15.620 3.078 7.051 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -14.710 1.674 6.529 1.00 0.00 H new ATOM 0 HG CYS A 10 -16.806 2.912 4.671 1.00 0.00 H new ATOM 219 N VAL A 11 -15.208 2.910 9.569 1.00 0.00 N ATOM 220 CA VAL A 11 -14.388 3.388 10.675 1.00 0.00 C ATOM 221 C VAL A 11 -14.603 2.540 11.924 1.00 0.00 C ATOM 222 O VAL A 11 -13.736 2.468 12.794 1.00 0.00 O ATOM 223 CB VAL A 11 -14.696 4.860 11.008 1.00 0.00 C ATOM 224 CG1 VAL A 11 -14.618 5.718 9.754 1.00 0.00 C ATOM 225 CG2 VAL A 11 -16.062 4.983 11.664 1.00 0.00 C ATOM 0 H VAL A 11 -15.729 3.641 9.084 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.349 3.306 10.357 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.947 5.220 11.713 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -14.838 6.755 10.008 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -13.616 5.653 9.331 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -15.344 5.361 9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -16.263 6.030 11.892 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.827 4.606 10.985 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -16.077 4.401 12.586 1.00 0.00 H new ATOM 235 N ASN A 12 -15.765 1.901 12.006 1.00 0.00 N ATOM 236 CA ASN A 12 -16.094 1.057 13.149 1.00 0.00 C ATOM 237 C ASN A 12 -16.307 -0.390 12.714 1.00 0.00 C ATOM 238 O ASN A 12 -17.141 -1.102 13.275 1.00 0.00 O ATOM 239 CB ASN A 12 -17.349 1.581 13.851 1.00 0.00 C ATOM 240 CG ASN A 12 -17.031 2.632 14.896 1.00 0.00 C ATOM 241 OD1 ASN A 12 -16.206 2.412 15.783 1.00 0.00 O ATOM 242 ND2 ASN A 12 -17.686 3.783 14.797 1.00 0.00 N ATOM 0 H ASN A 12 -16.495 1.951 11.295 1.00 0.00 H new ATOM 0 HA ASN A 12 -15.256 1.088 13.845 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -18.027 2.004 13.109 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -17.872 0.749 14.324 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -17.514 4.528 15.472 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -18.361 3.922 14.046 1.00 0.00 H new ATOM 249 N CYS A 13 -15.547 -0.818 11.712 1.00 0.00 N ATOM 250 CA CYS A 13 -15.652 -2.180 11.201 1.00 0.00 C ATOM 251 C CYS A 13 -14.277 -2.837 11.119 1.00 0.00 C ATOM 252 O CYS A 13 -13.552 -2.665 10.139 1.00 0.00 O ATOM 253 CB CYS A 13 -16.312 -2.180 9.821 1.00 0.00 C ATOM 254 SG CYS A 13 -16.312 -3.804 8.997 1.00 0.00 S ATOM 0 H CYS A 13 -14.852 -0.242 11.238 1.00 0.00 H new ATOM 0 HA CYS A 13 -16.270 -2.754 11.892 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -17.341 -1.836 9.922 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -15.797 -1.461 9.184 1.00 0.00 H new ATOM 0 HG CYS A 13 -17.355 -3.900 8.227 1.00 0.00 H new ATOM 259 N VAL A 14 -13.924 -3.590 12.156 1.00 0.00 N ATOM 260 CA VAL A 14 -12.637 -4.274 12.201 1.00 0.00 C ATOM 261 C VAL A 14 -12.761 -5.711 11.704 1.00 0.00 C ATOM 262 O VAL A 14 -12.033 -6.597 12.150 1.00 0.00 O ATOM 263 CB VAL A 14 -12.057 -4.285 13.628 1.00 0.00 C ATOM 264 CG1 VAL A 14 -11.917 -2.866 14.158 1.00 0.00 C ATOM 265 CG2 VAL A 14 -12.927 -5.124 14.551 1.00 0.00 C ATOM 0 H VAL A 14 -14.511 -3.742 12.976 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.962 -3.722 11.546 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.065 -4.735 13.594 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.506 -2.893 15.167 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -11.249 -2.300 13.509 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.896 -2.387 14.178 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.502 -5.120 15.555 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.933 -4.706 14.582 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.970 -6.148 14.179 1.00 0.00 H new ATOM 275 N SER A 15 -13.687 -5.933 10.777 1.00 0.00 N ATOM 276 CA SER A 15 -13.909 -7.262 10.222 1.00 0.00 C ATOM 277 C SER A 15 -13.310 -7.373 8.823 1.00 0.00 C ATOM 278 O SER A 15 -13.292 -6.403 8.065 1.00 0.00 O ATOM 279 CB SER A 15 -15.406 -7.576 10.174 1.00 0.00 C ATOM 280 OG SER A 15 -15.650 -8.798 9.500 1.00 0.00 O ATOM 0 H SER A 15 -14.296 -5.209 10.395 1.00 0.00 H new ATOM 0 HA SER A 15 -13.414 -7.986 10.870 1.00 0.00 H new ATOM 0 HB2 SER A 15 -15.802 -7.631 11.188 1.00 0.00 H new ATOM 0 HB3 SER A 15 -15.934 -6.767 9.669 1.00 0.00 H new ATOM 0 HG SER A 15 -16.614 -8.976 9.485 1.00 0.00 H new ATOM 286 N ARG A 16 -12.821 -8.562 8.488 1.00 0.00 N ATOM 287 CA ARG A 16 -12.220 -8.801 7.181 1.00 0.00 C ATOM 288 C ARG A 16 -13.247 -9.367 6.205 1.00 0.00 C ATOM 289 O ARG A 16 -13.366 -8.899 5.073 1.00 0.00 O ATOM 290 CB ARG A 16 -11.037 -9.763 7.308 1.00 0.00 C ATOM 291 CG ARG A 16 -9.739 -9.083 7.712 1.00 0.00 C ATOM 292 CD ARG A 16 -8.601 -10.083 7.838 1.00 0.00 C ATOM 293 NE ARG A 16 -7.504 -9.566 8.651 1.00 0.00 N ATOM 294 CZ ARG A 16 -7.562 -9.447 9.973 1.00 0.00 C ATOM 295 NH1 ARG A 16 -8.657 -9.807 10.627 1.00 0.00 N ATOM 296 NH2 ARG A 16 -6.522 -8.967 10.643 1.00 0.00 N ATOM 0 H ARG A 16 -12.829 -9.375 9.103 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.864 -7.847 6.793 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.280 -10.529 8.044 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.889 -10.272 6.355 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -9.479 -8.325 6.973 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -9.878 -8.567 8.662 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.977 -11.005 8.281 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -8.229 -10.335 6.845 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.646 -9.281 8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.458 -10.177 10.115 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.698 -9.714 11.642 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.677 -8.689 10.143 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.567 -8.876 11.658 1.00 0.00 H new ATOM 310 N ARG A 17 -13.987 -10.377 6.652 1.00 0.00 N ATOM 311 CA ARG A 17 -15.002 -11.008 5.818 1.00 0.00 C ATOM 312 C ARG A 17 -16.321 -10.243 5.895 1.00 0.00 C ATOM 313 O ARG A 17 -17.395 -10.819 5.722 1.00 0.00 O ATOM 314 CB ARG A 17 -15.216 -12.460 6.249 1.00 0.00 C ATOM 315 CG ARG A 17 -14.130 -13.405 5.764 1.00 0.00 C ATOM 316 CD ARG A 17 -13.937 -13.308 4.259 1.00 0.00 C ATOM 317 NE ARG A 17 -13.256 -14.481 3.717 1.00 0.00 N ATOM 318 CZ ARG A 17 -12.758 -14.538 2.487 1.00 0.00 C ATOM 319 NH1 ARG A 17 -12.863 -13.495 1.676 1.00 0.00 N ATOM 320 NH2 ARG A 17 -12.151 -15.641 2.067 1.00 0.00 N ATOM 0 H ARG A 17 -13.902 -10.775 7.587 1.00 0.00 H new ATOM 0 HA ARG A 17 -14.651 -10.991 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.265 -12.504 7.337 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.180 -12.804 5.873 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.192 -13.172 6.268 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.390 -14.429 6.033 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.908 -13.197 3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.360 -12.413 4.025 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.158 -15.301 4.316 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.327 -12.645 1.996 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.479 -13.542 0.732 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.067 -16.445 2.689 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.769 -15.685 1.122 1.00 0.00 H new ATOM 334 N CYS A 18 -16.231 -8.944 6.157 1.00 0.00 N ATOM 335 CA CYS A 18 -17.415 -8.100 6.259 1.00 0.00 C ATOM 336 C CYS A 18 -18.196 -8.098 4.948 1.00 0.00 C ATOM 337 O CYS A 18 -17.635 -7.857 3.879 1.00 0.00 O ATOM 338 CB CYS A 18 -17.018 -6.670 6.630 1.00 0.00 C ATOM 339 SG CYS A 18 -18.207 -5.402 6.085 1.00 0.00 S ATOM 0 H CYS A 18 -15.349 -8.452 6.303 1.00 0.00 H new ATOM 0 HA CYS A 18 -18.054 -8.507 7.042 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -16.905 -6.605 7.712 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -16.044 -6.450 6.194 1.00 0.00 H new ATOM 0 HG CYS A 18 -17.572 -4.303 5.807 1.00 0.00 H new ATOM 344 N MET A 19 -19.494 -8.369 5.038 1.00 0.00 N ATOM 345 CA MET A 19 -20.352 -8.398 3.859 1.00 0.00 C ATOM 346 C MET A 19 -21.580 -7.515 4.060 1.00 0.00 C ATOM 347 O MET A 19 -22.714 -7.961 3.882 1.00 0.00 O ATOM 348 CB MET A 19 -20.786 -9.832 3.552 1.00 0.00 C ATOM 349 CG MET A 19 -21.552 -10.492 4.687 1.00 0.00 C ATOM 350 SD MET A 19 -21.979 -12.208 4.333 1.00 0.00 S ATOM 351 CE MET A 19 -22.786 -12.678 5.861 1.00 0.00 C ATOM 0 H MET A 19 -19.975 -8.572 5.915 1.00 0.00 H new ATOM 0 HA MET A 19 -19.781 -8.011 3.015 1.00 0.00 H new ATOM 0 HB2 MET A 19 -21.408 -9.831 2.657 1.00 0.00 H new ATOM 0 HB3 MET A 19 -19.903 -10.429 3.325 1.00 0.00 H new ATOM 0 HG2 MET A 19 -20.952 -10.451 5.596 1.00 0.00 H new ATOM 0 HG3 MET A 19 -22.464 -9.927 4.881 1.00 0.00 H new ATOM 0 HE1 MET A 19 -23.109 -13.717 5.797 1.00 0.00 H new ATOM 0 HE2 MET A 19 -22.088 -12.565 6.691 1.00 0.00 H new ATOM 0 HE3 MET A 19 -23.653 -12.038 6.026 1.00 0.00 H new ATOM 361 N THR A 20 -21.347 -6.260 4.431 1.00 0.00 N ATOM 362 CA THR A 20 -22.434 -5.315 4.656 1.00 0.00 C ATOM 363 C THR A 20 -22.708 -4.484 3.408 1.00 0.00 C ATOM 364 O THR A 20 -21.792 -4.165 2.650 1.00 0.00 O ATOM 365 CB THR A 20 -22.122 -4.370 5.831 1.00 0.00 C ATOM 366 OG1 THR A 20 -22.169 -5.092 7.067 1.00 0.00 O ATOM 367 CG2 THR A 20 -23.111 -3.215 5.875 1.00 0.00 C ATOM 0 H THR A 20 -20.415 -5.874 4.582 1.00 0.00 H new ATOM 0 HA THR A 20 -23.319 -5.903 4.898 1.00 0.00 H new ATOM 0 HB THR A 20 -21.121 -3.965 5.685 1.00 0.00 H new ATOM 0 HG1 THR A 20 -22.127 -4.461 7.816 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.870 -2.561 6.713 1.00 0.00 H new ATOM 0 HG22 THR A 20 -23.051 -2.649 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 20 -24.121 -3.605 5.998 1.00 0.00 H new ATOM 375 N ARG A 21 -23.973 -4.134 3.202 1.00 0.00 N ATOM 376 CA ARG A 21 -24.367 -3.339 2.045 1.00 0.00 C ATOM 377 C ARG A 21 -23.684 -1.975 2.064 1.00 0.00 C ATOM 378 O ARG A 21 -23.844 -1.187 2.996 1.00 0.00 O ATOM 379 CB ARG A 21 -25.886 -3.160 2.015 1.00 0.00 C ATOM 380 CG ARG A 21 -26.606 -4.205 1.179 1.00 0.00 C ATOM 381 CD ARG A 21 -28.045 -3.801 0.901 1.00 0.00 C ATOM 382 NE ARG A 21 -28.133 -2.485 0.274 1.00 0.00 N ATOM 383 CZ ARG A 21 -28.017 -2.284 -1.034 1.00 0.00 C ATOM 384 NH1 ARG A 21 -27.811 -3.309 -1.849 1.00 0.00 N ATOM 385 NH2 ARG A 21 -28.108 -1.056 -1.528 1.00 0.00 N ATOM 0 H ARG A 21 -24.743 -4.388 3.821 1.00 0.00 H new ATOM 0 HA ARG A 21 -24.053 -3.871 1.147 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -26.268 -3.197 3.035 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -26.119 -2.170 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -26.078 -4.345 0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -26.590 -5.163 1.699 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -28.511 -4.543 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -28.607 -3.796 1.835 1.00 0.00 H new ATOM 0 HE ARG A 21 -28.292 -1.675 0.874 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -27.741 -4.254 -1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -27.722 -3.152 -2.853 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -28.267 -0.265 -0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -28.019 -0.902 -2.532 1.00 0.00 H new ATOM 399 N PRO A 22 -22.903 -1.689 1.012 1.00 0.00 N ATOM 400 CA PRO A 22 -22.180 -0.420 0.885 1.00 0.00 C ATOM 401 C PRO A 22 -23.115 0.758 0.635 1.00 0.00 C ATOM 402 O PRO A 22 -23.728 0.861 -0.427 1.00 0.00 O ATOM 403 CB PRO A 22 -21.273 -0.649 -0.327 1.00 0.00 C ATOM 404 CG PRO A 22 -21.968 -1.695 -1.128 1.00 0.00 C ATOM 405 CD PRO A 22 -22.666 -2.581 -0.135 1.00 0.00 C ATOM 0 HA PRO A 22 -21.640 -0.165 1.797 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -21.142 0.268 -0.902 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.280 -0.979 -0.022 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -22.681 -1.247 -1.820 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.257 -2.264 -1.727 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -23.599 -2.976 -0.536 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -22.050 -3.437 0.142 1.00 0.00 H new ATOM 413 N GLU A 23 -23.219 1.644 1.621 1.00 0.00 N ATOM 414 CA GLU A 23 -24.081 2.815 1.507 1.00 0.00 C ATOM 415 C GLU A 23 -23.264 4.063 1.188 1.00 0.00 C ATOM 416 O GLU A 23 -22.046 4.100 1.364 1.00 0.00 O ATOM 417 CB GLU A 23 -24.868 3.024 2.802 1.00 0.00 C ATOM 418 CG GLU A 23 -26.226 2.344 2.806 1.00 0.00 C ATOM 419 CD GLU A 23 -26.973 2.524 1.499 1.00 0.00 C ATOM 420 OE1 GLU A 23 -26.761 1.707 0.578 1.00 0.00 O ATOM 421 OE2 GLU A 23 -27.768 3.481 1.396 1.00 0.00 O ATOM 0 H GLU A 23 -22.718 1.573 2.507 1.00 0.00 H new ATOM 0 HA GLU A 23 -24.781 2.641 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -24.280 2.647 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -25.006 4.093 2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -26.095 1.280 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -26.827 2.746 3.622 1.00 0.00 H new ATOM 428 N PRO A 24 -23.948 5.111 0.706 1.00 0.00 N ATOM 429 CA PRO A 24 -23.307 6.381 0.352 1.00 0.00 C ATOM 430 C PRO A 24 -22.812 7.142 1.577 1.00 0.00 C ATOM 431 O PRO A 24 -22.386 8.291 1.475 1.00 0.00 O ATOM 432 CB PRO A 24 -24.424 7.160 -0.347 1.00 0.00 C ATOM 433 CG PRO A 24 -25.685 6.590 0.204 1.00 0.00 C ATOM 434 CD PRO A 24 -25.402 5.137 0.470 1.00 0.00 C ATOM 0 HA PRO A 24 -22.422 6.232 -0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -24.350 8.228 -0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -24.374 7.038 -1.429 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -25.978 7.104 1.119 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -26.507 6.704 -0.503 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -25.956 4.771 1.334 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -25.683 4.511 -0.377 1.00 0.00 H new ATOM 442 N GLY A 25 -22.873 6.493 2.736 1.00 0.00 N ATOM 443 CA GLY A 25 -22.427 7.125 3.964 1.00 0.00 C ATOM 444 C GLY A 25 -22.077 6.117 5.041 1.00 0.00 C ATOM 445 O GLY A 25 -20.945 6.083 5.524 1.00 0.00 O ATOM 0 H GLY A 25 -23.223 5.541 2.846 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -21.556 7.745 3.754 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -23.209 7.789 4.332 1.00 0.00 H new ATOM 449 N ILE A 26 -23.051 5.294 5.418 1.00 0.00 N ATOM 450 CA ILE A 26 -22.839 4.282 6.445 1.00 0.00 C ATOM 451 C ILE A 26 -21.574 3.476 6.170 1.00 0.00 C ATOM 452 O ILE A 26 -20.549 3.668 6.823 1.00 0.00 O ATOM 453 CB ILE A 26 -24.037 3.319 6.541 1.00 0.00 C ATOM 454 CG1 ILE A 26 -25.234 4.022 7.183 1.00 0.00 C ATOM 455 CG2 ILE A 26 -23.656 2.077 7.334 1.00 0.00 C ATOM 456 CD1 ILE A 26 -25.736 5.208 6.389 1.00 0.00 C ATOM 0 H ILE A 26 -23.993 5.309 5.028 1.00 0.00 H new ATOM 0 HA ILE A 26 -22.731 4.811 7.392 1.00 0.00 H new ATOM 0 HB ILE A 26 -24.318 3.011 5.534 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -26.046 3.304 7.301 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -24.956 4.356 8.183 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -24.513 1.406 7.393 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -22.830 1.568 6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -23.352 2.367 8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -26.585 5.657 6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -24.939 5.945 6.293 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -26.046 4.877 5.398 1.00 0.00 H new ATOM 468 N SER A 27 -21.653 2.574 5.197 1.00 0.00 N ATOM 469 CA SER A 27 -20.515 1.736 4.836 1.00 0.00 C ATOM 470 C SER A 27 -20.265 1.780 3.332 1.00 0.00 C ATOM 471 O SER A 27 -21.084 2.292 2.568 1.00 0.00 O ATOM 472 CB SER A 27 -20.755 0.293 5.283 1.00 0.00 C ATOM 473 OG SER A 27 -21.651 -0.370 4.409 1.00 0.00 O ATOM 0 H SER A 27 -22.493 2.405 4.644 1.00 0.00 H new ATOM 0 HA SER A 27 -19.633 2.124 5.345 1.00 0.00 H new ATOM 0 HB2 SER A 27 -19.807 -0.244 5.313 1.00 0.00 H new ATOM 0 HB3 SER A 27 -21.158 0.285 6.296 1.00 0.00 H new ATOM 0 HG SER A 27 -22.540 0.037 4.481 1.00 0.00 H new ATOM 479 N CYS A 28 -19.126 1.239 2.912 1.00 0.00 N ATOM 480 CA CYS A 28 -18.764 1.215 1.500 1.00 0.00 C ATOM 481 C CYS A 28 -18.292 -0.175 1.083 1.00 0.00 C ATOM 482 O CYS A 28 -18.233 -1.094 1.901 1.00 0.00 O ATOM 483 CB CYS A 28 -17.669 2.245 1.215 1.00 0.00 C ATOM 484 SG CYS A 28 -16.021 1.766 1.826 1.00 0.00 S ATOM 0 H CYS A 28 -18.437 0.811 3.531 1.00 0.00 H new ATOM 0 HA CYS A 28 -19.651 1.468 0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -17.612 2.411 0.139 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -17.951 3.195 1.669 1.00 0.00 H new ATOM 0 HG CYS A 28 -16.055 1.652 3.121 1.00 0.00 H new ATOM 489 N ASP A 29 -17.956 -0.321 -0.194 1.00 0.00 N ATOM 490 CA ASP A 29 -17.487 -1.598 -0.720 1.00 0.00 C ATOM 491 C ASP A 29 -16.141 -1.976 -0.109 1.00 0.00 C ATOM 492 O ASP A 29 -15.390 -1.113 0.347 1.00 0.00 O ATOM 493 CB ASP A 29 -17.370 -1.534 -2.243 1.00 0.00 C ATOM 494 CG ASP A 29 -18.462 -0.692 -2.873 1.00 0.00 C ATOM 495 OD1 ASP A 29 -19.616 -0.771 -2.404 1.00 0.00 O ATOM 496 OD2 ASP A 29 -18.163 0.046 -3.836 1.00 0.00 O ATOM 0 H ASP A 29 -18.000 0.429 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 29 -18.215 -2.363 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -16.397 -1.123 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -17.413 -2.544 -2.651 1.00 0.00 H new ATOM 501 N LEU A 30 -15.843 -3.270 -0.103 1.00 0.00 N ATOM 502 CA LEU A 30 -14.588 -3.764 0.453 1.00 0.00 C ATOM 503 C LEU A 30 -13.595 -4.097 -0.656 1.00 0.00 C ATOM 504 O LEU A 30 -13.976 -4.601 -1.713 1.00 0.00 O ATOM 505 CB LEU A 30 -14.841 -5.002 1.315 1.00 0.00 C ATOM 506 CG LEU A 30 -15.140 -4.741 2.792 1.00 0.00 C ATOM 507 CD1 LEU A 30 -15.762 -5.970 3.436 1.00 0.00 C ATOM 508 CD2 LEU A 30 -13.872 -4.334 3.529 1.00 0.00 C ATOM 0 H LEU A 30 -16.453 -3.997 -0.477 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.160 -2.977 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.678 -5.553 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -13.967 -5.650 1.251 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.854 -3.920 2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -15.968 -5.765 4.487 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.693 -6.217 2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -15.072 -6.810 3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -14.104 -4.152 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.135 -5.133 3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.468 -3.425 3.084 1.00 0.00 H new ATOM 520 N ILE A 31 -12.321 -3.815 -0.407 1.00 0.00 N ATOM 521 CA ILE A 31 -11.273 -4.088 -1.383 1.00 0.00 C ATOM 522 C ILE A 31 -10.019 -4.631 -0.706 1.00 0.00 C ATOM 523 O ILE A 31 -9.601 -4.134 0.339 1.00 0.00 O ATOM 524 CB ILE A 31 -10.906 -2.825 -2.183 1.00 0.00 C ATOM 525 CG1 ILE A 31 -10.349 -1.748 -1.249 1.00 0.00 C ATOM 526 CG2 ILE A 31 -12.120 -2.303 -2.937 1.00 0.00 C ATOM 527 CD1 ILE A 31 -8.856 -1.854 -1.027 1.00 0.00 C ATOM 0 H ILE A 31 -11.989 -3.397 0.462 1.00 0.00 H new ATOM 0 HA ILE A 31 -11.667 -4.839 -2.067 1.00 0.00 H new ATOM 0 HB ILE A 31 -10.136 -3.084 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.578 -0.766 -1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -10.857 -1.815 -0.287 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -11.844 -1.410 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -12.477 -3.068 -3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -12.910 -2.056 -2.228 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.531 -1.060 -0.355 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -8.622 -2.822 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.338 -1.757 -1.981 1.00 0.00 H new ATOM 539 N GLY A 32 -9.421 -5.653 -1.311 1.00 0.00 N ATOM 540 CA GLY A 32 -8.219 -6.245 -0.754 1.00 0.00 C ATOM 541 C GLY A 32 -6.991 -5.387 -0.983 1.00 0.00 C ATOM 542 O GLY A 32 -6.843 -4.770 -2.038 1.00 0.00 O ATOM 0 H GLY A 32 -9.748 -6.081 -2.177 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.356 -6.400 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.061 -7.227 -1.200 1.00 0.00 H new ATOM 546 N CYS A 33 -6.107 -5.347 0.008 1.00 0.00 N ATOM 547 CA CYS A 33 -4.885 -4.557 -0.088 1.00 0.00 C ATOM 548 C CYS A 33 -4.253 -4.699 -1.469 1.00 0.00 C ATOM 549 O CYS A 33 -4.119 -5.798 -2.008 1.00 0.00 O ATOM 550 CB CYS A 33 -3.888 -4.988 0.989 1.00 0.00 C ATOM 551 SG CYS A 33 -2.566 -3.775 1.307 1.00 0.00 S ATOM 0 H CYS A 33 -6.214 -5.853 0.887 1.00 0.00 H new ATOM 0 HA CYS A 33 -5.146 -3.510 0.067 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.429 -5.171 1.917 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -3.435 -5.934 0.692 1.00 0.00 H new ATOM 0 HG CYS A 33 -1.818 -4.195 2.284 1.00 0.00 H new ATOM 556 N PRO A 34 -3.853 -3.562 -2.057 1.00 0.00 N ATOM 557 CA PRO A 34 -3.227 -3.533 -3.382 1.00 0.00 C ATOM 558 C PRO A 34 -1.826 -4.137 -3.375 1.00 0.00 C ATOM 559 O PRO A 34 -1.158 -4.192 -4.408 1.00 0.00 O ATOM 560 CB PRO A 34 -3.163 -2.040 -3.712 1.00 0.00 C ATOM 561 CG PRO A 34 -3.149 -1.359 -2.387 1.00 0.00 C ATOM 562 CD PRO A 34 -3.980 -2.216 -1.473 1.00 0.00 C ATOM 0 HA PRO A 34 -3.787 -4.121 -4.110 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.270 -1.800 -4.290 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.021 -1.729 -4.308 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.131 -1.259 -2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.562 -0.353 -2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.610 -2.186 -0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.018 -1.886 -1.447 1.00 0.00 H new ATOM 570 N LEU A 35 -1.388 -4.589 -2.205 1.00 0.00 N ATOM 571 CA LEU A 35 -0.066 -5.190 -2.064 1.00 0.00 C ATOM 572 C LEU A 35 -0.174 -6.639 -1.600 1.00 0.00 C ATOM 573 O LEU A 35 0.787 -7.209 -1.082 1.00 0.00 O ATOM 574 CB LEU A 35 0.777 -4.387 -1.073 1.00 0.00 C ATOM 575 CG LEU A 35 1.188 -2.984 -1.524 1.00 0.00 C ATOM 576 CD1 LEU A 35 1.635 -2.150 -0.333 1.00 0.00 C ATOM 577 CD2 LEU A 35 2.293 -3.062 -2.567 1.00 0.00 C ATOM 0 H LEU A 35 -1.928 -4.551 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 35 0.419 -5.175 -3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.219 -4.298 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.681 -4.955 -0.851 1.00 0.00 H new ATOM 0 HG LEU A 35 0.322 -2.500 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.924 -1.155 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.815 -2.066 0.380 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.487 -2.630 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.573 -2.055 -2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.161 -3.565 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.938 -3.622 -3.432 1.00 0.00 H new ATOM 589 N VAL A 36 -1.349 -7.231 -1.791 1.00 0.00 N ATOM 590 CA VAL A 36 -1.581 -8.615 -1.395 1.00 0.00 C ATOM 591 C VAL A 36 -0.991 -8.899 -0.019 1.00 0.00 C ATOM 592 O VAL A 36 -0.480 -9.990 0.237 1.00 0.00 O ATOM 593 CB VAL A 36 -0.977 -9.599 -2.414 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.534 -9.337 -3.805 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.541 -9.502 -2.412 1.00 0.00 C ATOM 0 H VAL A 36 -2.155 -6.774 -2.217 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.661 -8.757 -1.360 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.254 -10.612 -2.123 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.096 -10.042 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.617 -9.462 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.289 -8.319 -4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.951 -10.204 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.841 -8.488 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.920 -9.744 -1.419 1.00 0.00 H new ATOM 605 N CYS A 37 -1.066 -7.911 0.867 1.00 0.00 N ATOM 606 CA CYS A 37 -0.540 -8.054 2.219 1.00 0.00 C ATOM 607 C CYS A 37 -1.281 -9.151 2.978 1.00 0.00 C ATOM 608 O CYS A 37 -0.734 -9.764 3.893 1.00 0.00 O ATOM 609 CB CYS A 37 -0.654 -6.728 2.975 1.00 0.00 C ATOM 610 SG CYS A 37 -2.251 -6.489 3.818 1.00 0.00 S ATOM 0 H CYS A 37 -1.486 -7.002 0.672 1.00 0.00 H new ATOM 0 HA CYS A 37 0.511 -8.334 2.146 1.00 0.00 H new ATOM 0 HB2 CYS A 37 0.146 -6.673 3.713 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.499 -5.908 2.274 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.853 -5.450 3.320 1.00 0.00 H new ATOM 615 N GLY A 38 -2.529 -9.392 2.590 1.00 0.00 N ATOM 616 CA GLY A 38 -3.325 -10.414 3.244 1.00 0.00 C ATOM 617 C GLY A 38 -4.316 -9.834 4.233 1.00 0.00 C ATOM 618 O GLY A 38 -4.474 -10.350 5.339 1.00 0.00 O ATOM 0 H GLY A 38 -3.003 -8.898 1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.863 -10.988 2.490 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.664 -11.109 3.762 1.00 0.00 H new ATOM 622 N ALA A 39 -4.983 -8.755 3.836 1.00 0.00 N ATOM 623 CA ALA A 39 -5.964 -8.104 4.696 1.00 0.00 C ATOM 624 C ALA A 39 -7.046 -7.416 3.871 1.00 0.00 C ATOM 625 O ALA A 39 -6.753 -6.727 2.894 1.00 0.00 O ATOM 626 CB ALA A 39 -5.279 -7.101 5.612 1.00 0.00 C ATOM 0 H ALA A 39 -4.862 -8.313 2.925 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.441 -8.871 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.023 -6.622 6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.547 -7.617 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.775 -6.344 5.011 1.00 0.00 H new ATOM 632 N VAL A 40 -8.300 -7.609 4.269 1.00 0.00 N ATOM 633 CA VAL A 40 -9.427 -7.007 3.567 1.00 0.00 C ATOM 634 C VAL A 40 -10.010 -5.843 4.360 1.00 0.00 C ATOM 635 O VAL A 40 -10.509 -6.023 5.471 1.00 0.00 O ATOM 636 CB VAL A 40 -10.538 -8.040 3.298 1.00 0.00 C ATOM 637 CG1 VAL A 40 -11.732 -7.378 2.628 1.00 0.00 C ATOM 638 CG2 VAL A 40 -10.006 -9.185 2.450 1.00 0.00 C ATOM 0 H VAL A 40 -8.561 -8.178 5.074 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.046 -6.639 2.614 1.00 0.00 H new ATOM 0 HB VAL A 40 -10.869 -8.449 4.252 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.506 -8.123 2.446 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.126 -6.596 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.420 -6.940 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -10.804 -9.905 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.646 -8.796 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.186 -9.676 2.974 1.00 0.00 H new ATOM 648 N PHE A 41 -9.946 -4.649 3.781 1.00 0.00 N ATOM 649 CA PHE A 41 -10.468 -3.454 4.434 1.00 0.00 C ATOM 650 C PHE A 41 -11.304 -2.625 3.464 1.00 0.00 C ATOM 651 O PHE A 41 -11.230 -2.809 2.249 1.00 0.00 O ATOM 652 CB PHE A 41 -9.320 -2.607 4.989 1.00 0.00 C ATOM 653 CG PHE A 41 -8.077 -2.658 4.147 1.00 0.00 C ATOM 654 CD1 PHE A 41 -7.899 -1.773 3.097 1.00 0.00 C ATOM 655 CD2 PHE A 41 -7.086 -3.592 4.407 1.00 0.00 C ATOM 656 CE1 PHE A 41 -6.756 -1.818 2.321 1.00 0.00 C ATOM 657 CE2 PHE A 41 -5.941 -3.642 3.634 1.00 0.00 C ATOM 658 CZ PHE A 41 -5.776 -2.753 2.590 1.00 0.00 C ATOM 0 H PHE A 41 -9.538 -4.483 2.861 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.108 -3.771 5.258 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -9.650 -1.572 5.073 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -9.081 -2.948 5.996 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.662 -1.039 2.882 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -7.210 -4.289 5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -6.629 -1.122 1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.177 -4.375 3.846 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.882 -2.789 1.985 1.00 0.00 H new ATOM 668 N HIS A 42 -12.100 -1.711 4.009 1.00 0.00 N ATOM 669 CA HIS A 42 -12.950 -0.852 3.193 1.00 0.00 C ATOM 670 C HIS A 42 -12.110 0.110 2.359 1.00 0.00 C ATOM 671 O HIS A 42 -11.257 0.823 2.888 1.00 0.00 O ATOM 672 CB HIS A 42 -13.919 -0.067 4.078 1.00 0.00 C ATOM 673 CG HIS A 42 -15.070 -0.884 4.578 1.00 0.00 C ATOM 674 ND1 HIS A 42 -16.238 -1.055 3.865 1.00 0.00 N ATOM 675 CD2 HIS A 42 -15.228 -1.582 5.727 1.00 0.00 C ATOM 676 CE1 HIS A 42 -17.065 -1.820 4.555 1.00 0.00 C ATOM 677 NE2 HIS A 42 -16.475 -2.154 5.689 1.00 0.00 N ATOM 0 H HIS A 42 -12.174 -1.546 5.013 1.00 0.00 H new ATOM 0 HA HIS A 42 -13.522 -1.487 2.516 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -13.373 0.337 4.931 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.305 0.783 3.515 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -16.433 -0.653 2.948 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -14.507 -1.672 6.526 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -18.055 -2.121 4.245 1.00 0.00 H new ATOM 685 N SER A 43 -12.357 0.125 1.053 1.00 0.00 N ATOM 686 CA SER A 43 -11.620 0.997 0.146 1.00 0.00 C ATOM 687 C SER A 43 -11.264 2.314 0.827 1.00 0.00 C ATOM 688 O SER A 43 -10.146 2.814 0.694 1.00 0.00 O ATOM 689 CB SER A 43 -12.444 1.269 -1.115 1.00 0.00 C ATOM 690 OG SER A 43 -13.488 2.189 -0.854 1.00 0.00 O ATOM 0 H SER A 43 -13.062 -0.457 0.599 1.00 0.00 H new ATOM 0 HA SER A 43 -10.696 0.491 -0.133 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.796 1.662 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.864 0.334 -1.487 1.00 0.00 H new ATOM 0 HG SER A 43 -14.039 1.858 -0.114 1.00 0.00 H new ATOM 696 N CYS A 44 -12.223 2.873 1.559 1.00 0.00 N ATOM 697 CA CYS A 44 -12.013 4.132 2.263 1.00 0.00 C ATOM 698 C CYS A 44 -10.905 3.996 3.304 1.00 0.00 C ATOM 699 O CYS A 44 -10.018 4.844 3.398 1.00 0.00 O ATOM 700 CB CYS A 44 -13.309 4.586 2.937 1.00 0.00 C ATOM 701 SG CYS A 44 -13.785 3.584 4.382 1.00 0.00 S ATOM 0 H CYS A 44 -13.154 2.473 1.680 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.710 4.882 1.532 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.200 5.625 3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -14.116 4.556 2.205 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.947 3.041 4.170 1.00 0.00 H new ATOM 706 N LYS A 45 -10.964 2.922 4.084 1.00 0.00 N ATOM 707 CA LYS A 45 -9.967 2.672 5.118 1.00 0.00 C ATOM 708 C LYS A 45 -8.592 2.433 4.501 1.00 0.00 C ATOM 709 O LYS A 45 -7.571 2.822 5.068 1.00 0.00 O ATOM 710 CB LYS A 45 -10.373 1.465 5.966 1.00 0.00 C ATOM 711 CG LYS A 45 -11.722 1.626 6.646 1.00 0.00 C ATOM 712 CD LYS A 45 -11.660 2.639 7.776 1.00 0.00 C ATOM 713 CE LYS A 45 -11.325 1.975 9.103 1.00 0.00 C ATOM 714 NZ LYS A 45 -10.571 2.888 10.006 1.00 0.00 N ATOM 0 H LYS A 45 -11.692 2.211 4.020 1.00 0.00 H new ATOM 0 HA LYS A 45 -9.912 3.554 5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -10.398 0.578 5.332 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.611 1.292 6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -12.464 1.942 5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.050 0.663 7.037 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -10.909 3.396 7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.617 3.154 7.857 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.246 1.658 9.593 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -10.736 1.076 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.362 2.398 10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -9.680 3.170 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.143 3.734 10.201 1.00 0.00 H new ATOM 728 N ALA A 46 -8.574 1.791 3.337 1.00 0.00 N ATOM 729 CA ALA A 46 -7.325 1.504 2.643 1.00 0.00 C ATOM 730 C ALA A 46 -6.309 2.622 2.855 1.00 0.00 C ATOM 731 O ALA A 46 -5.165 2.370 3.234 1.00 0.00 O ATOM 732 CB ALA A 46 -7.582 1.298 1.157 1.00 0.00 C ATOM 0 H ALA A 46 -9.410 1.460 2.855 1.00 0.00 H new ATOM 0 HA ALA A 46 -6.909 0.587 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.640 1.084 0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.266 0.461 1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.024 2.201 0.736 1.00 0.00 H new ATOM 738 N ASP A 47 -6.734 3.856 2.609 1.00 0.00 N ATOM 739 CA ASP A 47 -5.861 5.012 2.774 1.00 0.00 C ATOM 740 C ASP A 47 -5.126 4.953 4.110 1.00 0.00 C ATOM 741 O ASP A 47 -3.909 5.123 4.167 1.00 0.00 O ATOM 742 CB ASP A 47 -6.671 6.307 2.680 1.00 0.00 C ATOM 743 CG ASP A 47 -7.167 6.579 1.274 1.00 0.00 C ATOM 744 OD1 ASP A 47 -7.683 5.638 0.634 1.00 0.00 O ATOM 745 OD2 ASP A 47 -7.041 7.732 0.814 1.00 0.00 O ATOM 0 H ASP A 47 -7.678 4.082 2.295 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.122 4.995 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.523 6.249 3.358 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.055 7.142 3.013 1.00 0.00 H new ATOM 750 N GLU A 48 -5.875 4.711 5.181 1.00 0.00 N ATOM 751 CA GLU A 48 -5.295 4.631 6.516 1.00 0.00 C ATOM 752 C GLU A 48 -4.525 3.326 6.697 1.00 0.00 C ATOM 753 O GLU A 48 -3.370 3.327 7.124 1.00 0.00 O ATOM 754 CB GLU A 48 -6.389 4.743 7.580 1.00 0.00 C ATOM 755 CG GLU A 48 -7.111 6.080 7.572 1.00 0.00 C ATOM 756 CD GLU A 48 -7.791 6.383 8.893 1.00 0.00 C ATOM 757 OE1 GLU A 48 -7.241 5.997 9.945 1.00 0.00 O ATOM 758 OE2 GLU A 48 -8.873 7.006 8.874 1.00 0.00 O ATOM 0 H GLU A 48 -6.884 4.567 5.150 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.600 5.462 6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.116 3.946 7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.946 4.585 8.563 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.398 6.872 7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.855 6.082 6.776 1.00 0.00 H new ATOM 765 N HIS A 49 -5.174 2.213 6.370 1.00 0.00 N ATOM 766 CA HIS A 49 -4.552 0.900 6.496 1.00 0.00 C ATOM 767 C HIS A 49 -3.134 0.913 5.931 1.00 0.00 C ATOM 768 O HIS A 49 -2.178 0.558 6.620 1.00 0.00 O ATOM 769 CB HIS A 49 -5.390 -0.157 5.776 1.00 0.00 C ATOM 770 CG HIS A 49 -4.667 -1.451 5.560 1.00 0.00 C ATOM 771 ND1 HIS A 49 -4.659 -2.472 6.487 1.00 0.00 N ATOM 772 CD2 HIS A 49 -3.925 -1.887 4.515 1.00 0.00 C ATOM 773 CE1 HIS A 49 -3.943 -3.480 6.022 1.00 0.00 C ATOM 774 NE2 HIS A 49 -3.487 -3.151 4.826 1.00 0.00 N ATOM 0 H HIS A 49 -6.130 2.194 6.016 1.00 0.00 H new ATOM 0 HA HIS A 49 -4.500 0.651 7.556 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.294 -0.348 6.354 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.707 0.238 4.811 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -3.716 -1.342 3.606 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.761 -4.414 6.532 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -2.905 -3.740 4.231 1.00 0.00 H new ATOM 782 N ARG A 50 -3.008 1.325 4.674 1.00 0.00 N ATOM 783 CA ARG A 50 -1.708 1.383 4.017 1.00 0.00 C ATOM 784 C ARG A 50 -0.634 1.885 4.978 1.00 0.00 C ATOM 785 O ARG A 50 0.486 1.373 4.997 1.00 0.00 O ATOM 786 CB ARG A 50 -1.774 2.293 2.788 1.00 0.00 C ATOM 787 CG ARG A 50 -2.214 1.577 1.523 1.00 0.00 C ATOM 788 CD ARG A 50 -1.699 2.280 0.277 1.00 0.00 C ATOM 789 NE ARG A 50 -0.310 1.933 -0.013 1.00 0.00 N ATOM 790 CZ ARG A 50 0.336 2.335 -1.102 1.00 0.00 C ATOM 791 NH1 ARG A 50 -0.279 3.093 -1.999 1.00 0.00 N ATOM 792 NH2 ARG A 50 1.599 1.978 -1.294 1.00 0.00 N ATOM 0 H ARG A 50 -3.790 1.623 4.091 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.444 0.374 3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.464 3.113 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.792 2.736 2.622 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -1.849 0.550 1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.302 1.528 1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.325 2.013 -0.575 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.783 3.359 0.409 1.00 0.00 H new ATOM 0 HE ARG A 50 0.191 1.350 0.657 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.250 3.369 -1.854 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.219 3.400 -2.834 1.00 0.00 H new ATOM 0 HH21 ARG A 50 2.074 1.395 -0.605 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.095 2.287 -2.130 1.00 0.00 H new ATOM 806 N LEU A 51 -0.983 2.890 5.773 1.00 0.00 N ATOM 807 CA LEU A 51 -0.049 3.463 6.737 1.00 0.00 C ATOM 808 C LEU A 51 0.496 2.387 7.672 1.00 0.00 C ATOM 809 O LEU A 51 1.699 2.324 7.928 1.00 0.00 O ATOM 810 CB LEU A 51 -0.735 4.562 7.551 1.00 0.00 C ATOM 811 CG LEU A 51 -1.296 5.738 6.751 1.00 0.00 C ATOM 812 CD1 LEU A 51 -2.267 6.545 7.598 1.00 0.00 C ATOM 813 CD2 LEU A 51 -0.168 6.622 6.240 1.00 0.00 C ATOM 0 H LEU A 51 -1.905 3.325 5.770 1.00 0.00 H new ATOM 0 HA LEU A 51 0.785 3.896 6.185 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.550 4.112 8.117 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.019 4.950 8.276 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.838 5.343 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.656 7.378 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.092 5.907 7.913 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.750 6.930 8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.586 7.454 5.673 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.402 7.009 7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.489 6.038 5.596 1.00 0.00 H new ATOM 825 N LEU A 52 -0.396 1.543 8.177 1.00 0.00 N ATOM 826 CA LEU A 52 -0.005 0.468 9.082 1.00 0.00 C ATOM 827 C LEU A 52 0.564 -0.717 8.307 1.00 0.00 C ATOM 828 O LEU A 52 1.643 -1.218 8.623 1.00 0.00 O ATOM 829 CB LEU A 52 -1.204 0.016 9.918 1.00 0.00 C ATOM 830 CG LEU A 52 -2.155 1.121 10.379 1.00 0.00 C ATOM 831 CD1 LEU A 52 -3.333 0.529 11.138 1.00 0.00 C ATOM 832 CD2 LEU A 52 -1.418 2.134 11.241 1.00 0.00 C ATOM 0 H LEU A 52 -1.395 1.582 7.975 1.00 0.00 H new ATOM 0 HA LEU A 52 0.770 0.850 9.746 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.775 -0.708 9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.831 -0.506 10.799 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.538 1.635 9.498 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.999 1.330 11.458 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.877 -0.157 10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.968 -0.011 12.012 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.111 2.913 11.560 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.006 1.634 12.117 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.609 2.582 10.664 1.00 0.00 H new ATOM 844 N CYS A 53 -0.168 -1.157 7.289 1.00 0.00 N ATOM 845 CA CYS A 53 0.264 -2.281 6.467 1.00 0.00 C ATOM 846 C CYS A 53 1.785 -2.315 6.347 1.00 0.00 C ATOM 847 O CYS A 53 2.434 -1.304 6.079 1.00 0.00 O ATOM 848 CB CYS A 53 -0.366 -2.193 5.075 1.00 0.00 C ATOM 849 SG CYS A 53 -0.002 -3.620 4.003 1.00 0.00 S ATOM 0 H CYS A 53 -1.063 -0.752 7.014 1.00 0.00 H new ATOM 0 HA CYS A 53 -0.065 -3.200 6.951 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -1.447 -2.099 5.182 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -0.014 -1.285 4.585 1.00 0.00 H new ATOM 0 HG CYS A 53 -0.980 -4.474 4.070 1.00 0.00 H new ATOM 854 N PRO A 54 2.368 -3.506 6.551 1.00 0.00 N ATOM 855 CA PRO A 54 3.818 -3.701 6.471 1.00 0.00 C ATOM 856 C PRO A 54 4.342 -3.579 5.044 1.00 0.00 C ATOM 857 O PRO A 54 5.293 -2.843 4.781 1.00 0.00 O ATOM 858 CB PRO A 54 4.013 -5.127 6.992 1.00 0.00 C ATOM 859 CG PRO A 54 2.716 -5.809 6.725 1.00 0.00 C ATOM 860 CD PRO A 54 1.655 -4.753 6.875 1.00 0.00 C ATOM 0 HA PRO A 54 4.363 -2.947 7.039 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.836 -5.626 6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.251 -5.131 8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.700 -6.239 5.724 1.00 0.00 H new ATOM 0 HG3 PRO A 54 2.554 -6.628 7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.818 -4.925 6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.248 -4.732 7.886 1.00 0.00 H new ATOM 868 N PHE A 55 3.715 -4.306 4.124 1.00 0.00 N ATOM 869 CA PHE A 55 4.118 -4.279 2.723 1.00 0.00 C ATOM 870 C PHE A 55 4.389 -2.850 2.262 1.00 0.00 C ATOM 871 O PHE A 55 5.297 -2.605 1.468 1.00 0.00 O ATOM 872 CB PHE A 55 3.035 -4.912 1.847 1.00 0.00 C ATOM 873 CG PHE A 55 3.171 -6.401 1.708 1.00 0.00 C ATOM 874 CD1 PHE A 55 3.308 -7.205 2.829 1.00 0.00 C ATOM 875 CD2 PHE A 55 3.161 -6.998 0.458 1.00 0.00 C ATOM 876 CE1 PHE A 55 3.434 -8.576 2.704 1.00 0.00 C ATOM 877 CE2 PHE A 55 3.287 -8.368 0.327 1.00 0.00 C ATOM 878 CZ PHE A 55 3.422 -9.158 1.452 1.00 0.00 C ATOM 0 H PHE A 55 2.926 -4.921 4.324 1.00 0.00 H new ATOM 0 HA PHE A 55 5.038 -4.855 2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.057 -4.682 2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.069 -4.458 0.857 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.316 -6.755 3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.053 -6.385 -0.425 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.542 -9.191 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.280 -8.820 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.518 -10.229 1.352 1.00 0.00 H new ATOM 888 N GLU A 56 3.595 -1.911 2.767 1.00 0.00 N ATOM 889 CA GLU A 56 3.749 -0.506 2.406 1.00 0.00 C ATOM 890 C GLU A 56 5.223 -0.144 2.245 1.00 0.00 C ATOM 891 O GLU A 56 6.059 -0.523 3.065 1.00 0.00 O ATOM 892 CB GLU A 56 3.106 0.389 3.467 1.00 0.00 C ATOM 893 CG GLU A 56 2.815 1.799 2.979 1.00 0.00 C ATOM 894 CD GLU A 56 2.861 2.824 4.096 1.00 0.00 C ATOM 895 OE1 GLU A 56 2.683 2.433 5.268 1.00 0.00 O ATOM 896 OE2 GLU A 56 3.076 4.017 3.796 1.00 0.00 O ATOM 0 H GLU A 56 2.839 -2.097 3.426 1.00 0.00 H new ATOM 0 HA GLU A 56 3.247 -0.345 1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.176 -0.070 3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.765 0.442 4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.540 2.071 2.212 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.831 1.822 2.511 1.00 0.00 H new ATOM 903 N ARG A 57 5.533 0.591 1.182 1.00 0.00 N ATOM 904 CA ARG A 57 6.905 1.003 0.912 1.00 0.00 C ATOM 905 C ARG A 57 7.488 1.764 2.099 1.00 0.00 C ATOM 906 O ARG A 57 6.916 2.752 2.558 1.00 0.00 O ATOM 907 CB ARG A 57 6.960 1.875 -0.343 1.00 0.00 C ATOM 908 CG ARG A 57 8.333 2.469 -0.613 1.00 0.00 C ATOM 909 CD ARG A 57 8.367 3.217 -1.937 1.00 0.00 C ATOM 910 NE ARG A 57 8.107 2.334 -3.071 1.00 0.00 N ATOM 911 CZ ARG A 57 8.472 2.612 -4.317 1.00 0.00 C ATOM 912 NH1 ARG A 57 9.109 3.743 -4.588 1.00 0.00 N ATOM 913 NH2 ARG A 57 8.201 1.758 -5.296 1.00 0.00 N ATOM 0 H ARG A 57 4.853 0.913 0.494 1.00 0.00 H new ATOM 0 HA ARG A 57 7.502 0.106 0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.656 1.278 -1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.236 2.684 -0.245 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.602 3.148 0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 57 9.079 1.674 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.625 4.015 -1.922 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.341 3.690 -2.061 1.00 0.00 H new ATOM 0 HE ARG A 57 7.618 1.456 -2.896 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.320 4.402 -3.838 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.388 3.954 -5.546 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.712 0.887 -5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.482 1.973 -6.253 1.00 0.00 H new ATOM 927 N VAL A 58 8.630 1.295 2.592 1.00 0.00 N ATOM 928 CA VAL A 58 9.291 1.931 3.725 1.00 0.00 C ATOM 929 C VAL A 58 10.805 1.946 3.541 1.00 0.00 C ATOM 930 O VAL A 58 11.400 1.007 3.012 1.00 0.00 O ATOM 931 CB VAL A 58 8.953 1.216 5.047 1.00 0.00 C ATOM 932 CG1 VAL A 58 7.448 1.174 5.261 1.00 0.00 C ATOM 933 CG2 VAL A 58 9.540 -0.188 5.057 1.00 0.00 C ATOM 0 H VAL A 58 9.116 0.477 2.225 1.00 0.00 H new ATOM 0 HA VAL A 58 8.923 2.956 3.771 1.00 0.00 H new ATOM 0 HB VAL A 58 9.397 1.778 5.869 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.228 0.665 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.057 2.191 5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.978 0.636 4.438 1.00 0.00 H new ATOM 0 HG21 VAL A 58 9.292 -0.679 5.998 1.00 0.00 H new ATOM 0 HG22 VAL A 58 9.126 -0.762 4.228 1.00 0.00 H new ATOM 0 HG23 VAL A 58 10.623 -0.130 4.952 1.00 0.00 H new ATOM 943 N PRO A 59 11.445 3.037 3.988 1.00 0.00 N ATOM 944 CA PRO A 59 12.898 3.200 3.885 1.00 0.00 C ATOM 945 C PRO A 59 13.655 2.256 4.812 1.00 0.00 C ATOM 946 O PRO A 59 13.141 1.850 5.856 1.00 0.00 O ATOM 947 CB PRO A 59 13.122 4.655 4.304 1.00 0.00 C ATOM 948 CG PRO A 59 11.958 4.982 5.174 1.00 0.00 C ATOM 949 CD PRO A 59 10.799 4.194 4.629 1.00 0.00 C ATOM 0 HA PRO A 59 13.264 2.969 2.885 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.063 4.772 4.841 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.166 5.314 3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.159 4.714 6.211 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.746 6.051 5.156 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.115 3.885 5.420 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.217 4.777 3.914 1.00 0.00 H new ATOM 957 N CYS A 60 14.878 1.909 4.426 1.00 0.00 N ATOM 958 CA CYS A 60 15.707 1.013 5.223 1.00 0.00 C ATOM 959 C CYS A 60 15.856 1.534 6.650 1.00 0.00 C ATOM 960 O CYS A 60 16.156 2.709 6.866 1.00 0.00 O ATOM 961 CB CYS A 60 17.086 0.853 4.581 1.00 0.00 C ATOM 962 SG CYS A 60 18.310 0.023 5.644 1.00 0.00 S ATOM 0 H CYS A 60 15.317 2.235 3.565 1.00 0.00 H new ATOM 0 HA CYS A 60 15.215 0.041 5.259 1.00 0.00 H new ATOM 0 HB2 CYS A 60 16.981 0.286 3.656 1.00 0.00 H new ATOM 0 HB3 CYS A 60 17.465 1.838 4.310 1.00 0.00 H new ATOM 0 HG CYS A 60 19.469 0.592 5.497 1.00 0.00 H new ATOM 967 N LEU A 61 15.644 0.652 7.621 1.00 0.00 N ATOM 968 CA LEU A 61 15.755 1.022 9.027 1.00 0.00 C ATOM 969 C LEU A 61 16.906 1.999 9.245 1.00 0.00 C ATOM 970 O LEU A 61 16.757 3.005 9.937 1.00 0.00 O ATOM 971 CB LEU A 61 15.960 -0.226 9.888 1.00 0.00 C ATOM 972 CG LEU A 61 14.689 -0.911 10.392 1.00 0.00 C ATOM 973 CD1 LEU A 61 15.015 -2.273 10.984 1.00 0.00 C ATOM 974 CD2 LEU A 61 13.983 -0.036 11.418 1.00 0.00 C ATOM 0 H LEU A 61 15.394 -0.324 7.460 1.00 0.00 H new ATOM 0 HA LEU A 61 14.827 1.512 9.322 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.535 -0.951 9.311 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.567 0.048 10.751 1.00 0.00 H new ATOM 0 HG LEU A 61 14.018 -1.057 9.546 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.098 -2.745 11.337 1.00 0.00 H new ATOM 0 HD12 LEU A 61 15.476 -2.901 10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.705 -2.151 11.819 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.081 -0.539 11.766 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.648 0.142 12.263 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.714 0.916 10.961 1.00 0.00 H new ATOM 986 N ASN A 62 18.053 1.695 8.647 1.00 0.00 N ATOM 987 CA ASN A 62 19.230 2.548 8.774 1.00 0.00 C ATOM 988 C ASN A 62 19.148 3.734 7.818 1.00 0.00 C ATOM 989 O ASN A 62 20.125 4.078 7.153 1.00 0.00 O ATOM 990 CB ASN A 62 20.501 1.743 8.496 1.00 0.00 C ATOM 991 CG ASN A 62 20.583 0.484 9.338 1.00 0.00 C ATOM 992 OD1 ASN A 62 21.062 0.512 10.472 1.00 0.00 O ATOM 993 ND2 ASN A 62 20.114 -0.629 8.786 1.00 0.00 N ATOM 0 H ASN A 62 18.193 0.865 8.070 1.00 0.00 H new ATOM 0 HA ASN A 62 19.264 2.928 9.795 1.00 0.00 H new ATOM 0 HB2 ASN A 62 20.534 1.474 7.440 1.00 0.00 H new ATOM 0 HB3 ASN A 62 21.373 2.366 8.693 1.00 0.00 H new ATOM 0 HD21 ASN A 62 20.142 -1.507 9.305 1.00 0.00 H new ATOM 0 HD22 ASN A 62 19.726 -0.606 7.843 1.00 0.00 H new ATOM 1000 N SER A 63 17.975 4.357 7.756 1.00 0.00 N ATOM 1001 CA SER A 63 17.764 5.503 6.880 1.00 0.00 C ATOM 1002 C SER A 63 18.708 6.646 7.242 1.00 0.00 C ATOM 1003 O SER A 63 19.311 7.268 6.368 1.00 0.00 O ATOM 1004 CB SER A 63 16.312 5.979 6.968 1.00 0.00 C ATOM 1005 OG SER A 63 16.052 6.595 8.218 1.00 0.00 O ATOM 0 H SER A 63 17.157 4.087 8.302 1.00 0.00 H new ATOM 0 HA SER A 63 17.976 5.190 5.857 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.108 6.684 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.639 5.133 6.829 1.00 0.00 H new ATOM 0 HG SER A 63 15.119 6.892 8.249 1.00 0.00 H new ATOM 1011 N ASP A 64 18.831 6.915 8.537 1.00 0.00 N ATOM 1012 CA ASP A 64 19.702 7.981 9.017 1.00 0.00 C ATOM 1013 C ASP A 64 21.040 7.960 8.285 1.00 0.00 C ATOM 1014 O ASP A 64 21.459 8.964 7.707 1.00 0.00 O ATOM 1015 CB ASP A 64 19.928 7.844 10.524 1.00 0.00 C ATOM 1016 CG ASP A 64 18.645 7.992 11.318 1.00 0.00 C ATOM 1017 OD1 ASP A 64 17.898 6.998 11.428 1.00 0.00 O ATOM 1018 OD2 ASP A 64 18.388 9.103 11.829 1.00 0.00 O ATOM 0 H ASP A 64 18.338 6.409 9.273 1.00 0.00 H new ATOM 0 HA ASP A 64 19.214 8.935 8.816 1.00 0.00 H new ATOM 0 HB2 ASP A 64 20.372 6.871 10.735 1.00 0.00 H new ATOM 0 HB3 ASP A 64 20.643 8.599 10.851 1.00 0.00 H new ATOM 1023 N PHE A 65 21.707 6.812 8.315 1.00 0.00 N ATOM 1024 CA PHE A 65 23.000 6.661 7.656 1.00 0.00 C ATOM 1025 C PHE A 65 22.943 7.181 6.223 1.00 0.00 C ATOM 1026 O PHE A 65 23.859 7.860 5.761 1.00 0.00 O ATOM 1027 CB PHE A 65 23.430 5.193 7.662 1.00 0.00 C ATOM 1028 CG PHE A 65 24.032 4.749 8.965 1.00 0.00 C ATOM 1029 CD1 PHE A 65 23.232 4.237 9.973 1.00 0.00 C ATOM 1030 CD2 PHE A 65 25.397 4.846 9.182 1.00 0.00 C ATOM 1031 CE1 PHE A 65 23.782 3.827 11.174 1.00 0.00 C ATOM 1032 CE2 PHE A 65 25.953 4.438 10.380 1.00 0.00 C ATOM 1033 CZ PHE A 65 25.144 3.929 11.377 1.00 0.00 C ATOM 0 H PHE A 65 21.374 5.972 8.788 1.00 0.00 H new ATOM 0 HA PHE A 65 23.733 7.249 8.208 1.00 0.00 H new ATOM 0 HB2 PHE A 65 22.565 4.569 7.439 1.00 0.00 H new ATOM 0 HB3 PHE A 65 24.154 5.032 6.863 1.00 0.00 H new ATOM 0 HD1 PHE A 65 22.166 4.157 9.819 1.00 0.00 H new ATOM 0 HD2 PHE A 65 26.034 5.245 8.406 1.00 0.00 H new ATOM 0 HE1 PHE A 65 23.147 3.428 11.951 1.00 0.00 H new ATOM 0 HE2 PHE A 65 27.019 4.517 10.536 1.00 0.00 H new ATOM 0 HZ PHE A 65 25.576 3.611 12.314 1.00 0.00 H new ATOM 1043 N GLY A 66 21.860 6.855 5.524 1.00 0.00 N ATOM 1044 CA GLY A 66 21.703 7.296 4.150 1.00 0.00 C ATOM 1045 C GLY A 66 21.576 6.138 3.180 1.00 0.00 C ATOM 1046 O GLY A 66 22.266 6.093 2.161 1.00 0.00 O ATOM 0 H GLY A 66 21.089 6.293 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 66 20.819 7.929 4.074 1.00 0.00 H new ATOM 0 HA3 GLY A 66 22.559 7.909 3.869 1.00 0.00 H new ATOM 1050 N CYS A 67 20.693 5.197 3.498 1.00 0.00 N ATOM 1051 CA CYS A 67 20.479 4.031 2.649 1.00 0.00 C ATOM 1052 C CYS A 67 19.357 4.287 1.646 1.00 0.00 C ATOM 1053 O CYS A 67 18.180 4.364 2.000 1.00 0.00 O ATOM 1054 CB CYS A 67 20.145 2.806 3.503 1.00 0.00 C ATOM 1055 SG CYS A 67 20.425 1.215 2.662 1.00 0.00 S ATOM 0 H CYS A 67 20.114 5.219 4.338 1.00 0.00 H new ATOM 0 HA CYS A 67 21.400 3.841 2.097 1.00 0.00 H new ATOM 0 HB2 CYS A 67 20.746 2.835 4.412 1.00 0.00 H new ATOM 0 HB3 CYS A 67 19.101 2.864 3.810 1.00 0.00 H new ATOM 0 HG CYS A 67 20.815 0.329 3.529 1.00 0.00 H new ATOM 1060 N PRO A 68 19.728 4.423 0.365 1.00 0.00 N ATOM 1061 CA PRO A 68 18.768 4.671 -0.715 1.00 0.00 C ATOM 1062 C PRO A 68 17.886 3.460 -0.997 1.00 0.00 C ATOM 1063 O PRO A 68 17.046 3.487 -1.897 1.00 0.00 O ATOM 1064 CB PRO A 68 19.662 4.973 -1.921 1.00 0.00 C ATOM 1065 CG PRO A 68 20.947 4.283 -1.623 1.00 0.00 C ATOM 1066 CD PRO A 68 21.113 4.343 -0.129 1.00 0.00 C ATOM 0 HA PRO A 68 18.075 5.475 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.219 4.602 -2.845 1.00 0.00 H new ATOM 0 HB3 PRO A 68 19.809 6.046 -2.046 1.00 0.00 H new ATOM 0 HG2 PRO A 68 20.926 3.251 -1.972 1.00 0.00 H new ATOM 0 HG3 PRO A 68 21.779 4.773 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 68 21.626 3.461 0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 68 21.699 5.210 0.176 1.00 0.00 H new ATOM 1074 N PHE A 69 18.081 2.398 -0.221 1.00 0.00 N ATOM 1075 CA PHE A 69 17.302 1.177 -0.388 1.00 0.00 C ATOM 1076 C PHE A 69 15.921 1.321 0.245 1.00 0.00 C ATOM 1077 O PHE A 69 15.798 1.581 1.442 1.00 0.00 O ATOM 1078 CB PHE A 69 18.039 -0.011 0.234 1.00 0.00 C ATOM 1079 CG PHE A 69 19.149 -0.545 -0.626 1.00 0.00 C ATOM 1080 CD1 PHE A 69 20.368 0.110 -0.693 1.00 0.00 C ATOM 1081 CD2 PHE A 69 18.973 -1.702 -1.367 1.00 0.00 C ATOM 1082 CE1 PHE A 69 21.391 -0.378 -1.483 1.00 0.00 C ATOM 1083 CE2 PHE A 69 19.993 -2.196 -2.159 1.00 0.00 C ATOM 1084 CZ PHE A 69 21.203 -1.533 -2.218 1.00 0.00 C ATOM 0 H PHE A 69 18.771 2.359 0.529 1.00 0.00 H new ATOM 0 HA PHE A 69 17.175 1.000 -1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 69 18.450 0.291 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 69 17.324 -0.810 0.428 1.00 0.00 H new ATOM 0 HD1 PHE A 69 20.520 1.013 -0.121 1.00 0.00 H new ATOM 0 HD2 PHE A 69 18.028 -2.224 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 69 22.336 0.142 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 69 19.844 -3.100 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 69 22.001 -1.916 -2.837 1.00 0.00 H new ATOM 1094 N THR A 70 14.883 1.150 -0.568 1.00 0.00 N ATOM 1095 CA THR A 70 13.511 1.263 -0.090 1.00 0.00 C ATOM 1096 C THR A 70 12.704 0.017 -0.436 1.00 0.00 C ATOM 1097 O THR A 70 12.712 -0.441 -1.578 1.00 0.00 O ATOM 1098 CB THR A 70 12.809 2.498 -0.685 1.00 0.00 C ATOM 1099 OG1 THR A 70 12.969 2.514 -2.108 1.00 0.00 O ATOM 1100 CG2 THR A 70 13.372 3.780 -0.091 1.00 0.00 C ATOM 0 H THR A 70 14.967 0.933 -1.561 1.00 0.00 H new ATOM 0 HA THR A 70 13.561 1.370 0.994 1.00 0.00 H new ATOM 0 HB THR A 70 11.749 2.439 -0.440 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.836 1.610 -2.462 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.860 4.638 -0.527 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.222 3.778 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.438 3.844 -0.309 1.00 0.00 H new ATOM 1108 N MET A 71 12.008 -0.526 0.557 1.00 0.00 N ATOM 1109 CA MET A 71 11.194 -1.719 0.356 1.00 0.00 C ATOM 1110 C MET A 71 10.164 -1.869 1.471 1.00 0.00 C ATOM 1111 O MET A 71 10.043 -1.004 2.338 1.00 0.00 O ATOM 1112 CB MET A 71 12.081 -2.964 0.294 1.00 0.00 C ATOM 1113 CG MET A 71 13.090 -3.048 1.427 1.00 0.00 C ATOM 1114 SD MET A 71 14.640 -2.210 1.041 1.00 0.00 S ATOM 1115 CE MET A 71 14.758 -1.068 2.415 1.00 0.00 C ATOM 0 H MET A 71 11.991 -0.159 1.509 1.00 0.00 H new ATOM 0 HA MET A 71 10.665 -1.612 -0.591 1.00 0.00 H new ATOM 0 HB2 MET A 71 11.449 -3.852 0.315 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.613 -2.974 -0.657 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.658 -2.609 2.326 1.00 0.00 H new ATOM 0 HG3 MET A 71 13.294 -4.095 1.650 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.620 -0.416 2.273 1.00 0.00 H new ATOM 0 HE2 MET A 71 13.851 -0.465 2.466 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.875 -1.627 3.344 1.00 0.00 H new ATOM 1125 N ALA A 72 9.424 -2.973 1.443 1.00 0.00 N ATOM 1126 CA ALA A 72 8.406 -3.236 2.453 1.00 0.00 C ATOM 1127 C ALA A 72 9.030 -3.373 3.838 1.00 0.00 C ATOM 1128 O ALA A 72 10.192 -3.757 3.970 1.00 0.00 O ATOM 1129 CB ALA A 72 7.623 -4.491 2.098 1.00 0.00 C ATOM 0 H ALA A 72 9.511 -3.699 0.732 1.00 0.00 H new ATOM 0 HA ALA A 72 7.722 -2.388 2.474 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.866 -4.676 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.138 -4.356 1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.303 -5.342 2.048 1.00 0.00 H new ATOM 1135 N ARG A 73 8.250 -3.057 4.866 1.00 0.00 N ATOM 1136 CA ARG A 73 8.727 -3.143 6.241 1.00 0.00 C ATOM 1137 C ARG A 73 8.985 -4.594 6.637 1.00 0.00 C ATOM 1138 O ARG A 73 9.890 -4.883 7.419 1.00 0.00 O ATOM 1139 CB ARG A 73 7.711 -2.515 7.197 1.00 0.00 C ATOM 1140 CG ARG A 73 8.260 -2.263 8.591 1.00 0.00 C ATOM 1141 CD ARG A 73 8.906 -0.890 8.695 1.00 0.00 C ATOM 1142 NE ARG A 73 10.303 -0.908 8.270 1.00 0.00 N ATOM 1143 CZ ARG A 73 11.103 0.150 8.331 1.00 0.00 C ATOM 1144 NH1 ARG A 73 10.647 1.305 8.798 1.00 0.00 N ATOM 1145 NH2 ARG A 73 12.363 0.055 7.925 1.00 0.00 N ATOM 0 H ARG A 73 7.285 -2.739 4.773 1.00 0.00 H new ATOM 0 HA ARG A 73 9.666 -2.593 6.308 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.365 -1.571 6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.842 -3.169 7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.454 -2.344 9.321 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.993 -3.031 8.839 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.350 -0.181 8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.845 -0.538 9.725 1.00 0.00 H new ATOM 0 HE ARG A 73 10.685 -1.781 7.906 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.679 1.382 9.111 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.264 2.116 8.844 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.718 -0.831 7.566 1.00 0.00 H new ATOM 0 HH22 ARG A 73 12.977 0.868 7.972 1.00 0.00 H new ATOM 1159 N ASN A 74 8.181 -5.502 6.093 1.00 0.00 N ATOM 1160 CA ASN A 74 8.321 -6.923 6.390 1.00 0.00 C ATOM 1161 C ASN A 74 9.315 -7.583 5.439 1.00 0.00 C ATOM 1162 O ASN A 74 9.436 -8.807 5.400 1.00 0.00 O ATOM 1163 CB ASN A 74 6.964 -7.622 6.293 1.00 0.00 C ATOM 1164 CG ASN A 74 6.548 -7.880 4.857 1.00 0.00 C ATOM 1165 OD1 ASN A 74 6.623 -9.008 4.371 1.00 0.00 O ATOM 1166 ND2 ASN A 74 6.108 -6.832 4.171 1.00 0.00 N ATOM 0 H ASN A 74 7.426 -5.279 5.444 1.00 0.00 H new ATOM 0 HA ASN A 74 8.700 -7.020 7.407 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.007 -8.569 6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.207 -7.010 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.815 -6.944 3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.063 -5.915 4.615 1.00 0.00 H new ATOM 1173 N LYS A 75 10.025 -6.762 4.672 1.00 0.00 N ATOM 1174 CA LYS A 75 11.011 -7.264 3.722 1.00 0.00 C ATOM 1175 C LYS A 75 12.401 -6.724 4.043 1.00 0.00 C ATOM 1176 O LYS A 75 13.411 -7.314 3.658 1.00 0.00 O ATOM 1177 CB LYS A 75 10.618 -6.873 2.295 1.00 0.00 C ATOM 1178 CG LYS A 75 11.760 -6.981 1.299 1.00 0.00 C ATOM 1179 CD LYS A 75 12.239 -8.415 1.154 1.00 0.00 C ATOM 1180 CE LYS A 75 12.911 -8.646 -0.191 1.00 0.00 C ATOM 1181 NZ LYS A 75 12.892 -10.083 -0.581 1.00 0.00 N ATOM 0 H LYS A 75 9.936 -5.746 4.690 1.00 0.00 H new ATOM 0 HA LYS A 75 11.036 -8.351 3.802 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.798 -7.511 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.245 -5.849 2.297 1.00 0.00 H new ATOM 0 HG2 LYS A 75 11.435 -6.605 0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 75 12.588 -6.351 1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.939 -8.649 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.393 -9.095 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.406 -8.056 -0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.942 -8.295 -0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 13.359 -10.199 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.396 -10.644 0.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.908 -10.411 -0.648 1.00 0.00 H new ATOM 1195 N VAL A 76 12.445 -5.602 4.754 1.00 0.00 N ATOM 1196 CA VAL A 76 13.712 -4.985 5.130 1.00 0.00 C ATOM 1197 C VAL A 76 14.609 -5.975 5.864 1.00 0.00 C ATOM 1198 O VAL A 76 15.794 -6.100 5.557 1.00 0.00 O ATOM 1199 CB VAL A 76 13.491 -3.749 6.022 1.00 0.00 C ATOM 1200 CG1 VAL A 76 14.818 -3.234 6.559 1.00 0.00 C ATOM 1201 CG2 VAL A 76 12.759 -2.660 5.253 1.00 0.00 C ATOM 0 H VAL A 76 11.619 -5.102 5.081 1.00 0.00 H new ATOM 0 HA VAL A 76 14.200 -4.674 4.206 1.00 0.00 H new ATOM 0 HB VAL A 76 12.872 -4.041 6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 76 14.642 -2.361 7.187 1.00 0.00 H new ATOM 0 HG12 VAL A 76 15.299 -4.014 7.149 1.00 0.00 H new ATOM 0 HG13 VAL A 76 15.465 -2.958 5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.612 -1.795 5.899 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.350 -2.368 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 76 11.790 -3.036 4.923 1.00 0.00 H new ATOM 1211 N ALA A 77 14.035 -6.678 6.835 1.00 0.00 N ATOM 1212 CA ALA A 77 14.782 -7.659 7.612 1.00 0.00 C ATOM 1213 C ALA A 77 15.828 -8.360 6.751 1.00 0.00 C ATOM 1214 O ALA A 77 16.979 -8.511 7.159 1.00 0.00 O ATOM 1215 CB ALA A 77 13.833 -8.677 8.227 1.00 0.00 C ATOM 0 H ALA A 77 13.055 -6.586 7.102 1.00 0.00 H new ATOM 0 HA ALA A 77 15.302 -7.133 8.413 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.404 -9.404 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.127 -8.167 8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.287 -9.191 7.435 1.00 0.00 H new ATOM 1221 N GLU A 78 15.419 -8.785 5.560 1.00 0.00 N ATOM 1222 CA GLU A 78 16.322 -9.471 4.644 1.00 0.00 C ATOM 1223 C GLU A 78 17.377 -8.513 4.100 1.00 0.00 C ATOM 1224 O GLU A 78 18.571 -8.814 4.113 1.00 0.00 O ATOM 1225 CB GLU A 78 15.535 -10.091 3.486 1.00 0.00 C ATOM 1226 CG GLU A 78 16.381 -10.366 2.254 1.00 0.00 C ATOM 1227 CD GLU A 78 17.748 -10.926 2.598 1.00 0.00 C ATOM 1228 OE1 GLU A 78 17.821 -11.815 3.473 1.00 0.00 O ATOM 1229 OE2 GLU A 78 18.743 -10.476 1.993 1.00 0.00 O ATOM 0 H GLU A 78 14.469 -8.666 5.207 1.00 0.00 H new ATOM 0 HA GLU A 78 16.826 -10.263 5.197 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.084 -11.025 3.823 1.00 0.00 H new ATOM 0 HB3 GLU A 78 14.718 -9.423 3.214 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.857 -11.069 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 78 16.503 -9.443 1.688 1.00 0.00 H new ATOM 1236 N HIS A 79 16.928 -7.357 3.622 1.00 0.00 N ATOM 1237 CA HIS A 79 17.833 -6.353 3.074 1.00 0.00 C ATOM 1238 C HIS A 79 18.901 -5.969 4.094 1.00 0.00 C ATOM 1239 O HIS A 79 20.041 -5.673 3.733 1.00 0.00 O ATOM 1240 CB HIS A 79 17.051 -5.111 2.644 1.00 0.00 C ATOM 1241 CG HIS A 79 17.900 -3.884 2.514 1.00 0.00 C ATOM 1242 ND1 HIS A 79 18.763 -3.675 1.459 1.00 0.00 N ATOM 1243 CD2 HIS A 79 18.014 -2.797 3.312 1.00 0.00 C ATOM 1244 CE1 HIS A 79 19.373 -2.513 1.615 1.00 0.00 C ATOM 1245 NE2 HIS A 79 18.936 -1.960 2.732 1.00 0.00 N ATOM 0 H HIS A 79 15.943 -7.092 3.603 1.00 0.00 H new ATOM 0 HA HIS A 79 18.327 -6.782 2.202 1.00 0.00 H new ATOM 0 HB2 HIS A 79 16.566 -5.310 1.688 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.260 -4.920 3.369 1.00 0.00 H new ATOM 0 HD2 HIS A 79 17.479 -2.620 4.234 1.00 0.00 H new ATOM 0 HE1 HIS A 79 20.104 -2.088 0.943 1.00 0.00 H new ATOM 0 HE2 HIS A 79 19.235 -1.058 3.104 1.00 0.00 H new ATOM 1253 N LEU A 80 18.524 -5.975 5.368 1.00 0.00 N ATOM 1254 CA LEU A 80 19.449 -5.627 6.441 1.00 0.00 C ATOM 1255 C LEU A 80 20.637 -6.584 6.468 1.00 0.00 C ATOM 1256 O LEU A 80 21.758 -6.188 6.784 1.00 0.00 O ATOM 1257 CB LEU A 80 18.729 -5.651 7.790 1.00 0.00 C ATOM 1258 CG LEU A 80 17.807 -4.466 8.080 1.00 0.00 C ATOM 1259 CD1 LEU A 80 16.996 -4.717 9.342 1.00 0.00 C ATOM 1260 CD2 LEU A 80 18.613 -3.182 8.208 1.00 0.00 C ATOM 0 H LEU A 80 17.585 -6.217 5.683 1.00 0.00 H new ATOM 0 HA LEU A 80 19.822 -4.620 6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.140 -6.566 7.849 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.479 -5.703 8.579 1.00 0.00 H new ATOM 0 HG LEU A 80 17.116 -4.355 7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 80 16.346 -3.863 9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 80 16.389 -5.613 9.212 1.00 0.00 H new ATOM 0 HD13 LEU A 80 17.671 -4.855 10.187 1.00 0.00 H new ATOM 0 HD21 LEU A 80 17.941 -2.349 8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 80 19.329 -3.281 9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 80 19.148 -2.994 7.277 1.00 0.00 H new ATOM 1272 N GLU A 81 20.382 -7.845 6.132 1.00 0.00 N ATOM 1273 CA GLU A 81 21.431 -8.858 6.117 1.00 0.00 C ATOM 1274 C GLU A 81 22.538 -8.480 5.137 1.00 0.00 C ATOM 1275 O GLU A 81 23.722 -8.642 5.430 1.00 0.00 O ATOM 1276 CB GLU A 81 20.848 -10.222 5.744 1.00 0.00 C ATOM 1277 CG GLU A 81 19.946 -10.812 6.815 1.00 0.00 C ATOM 1278 CD GLU A 81 19.877 -12.326 6.751 1.00 0.00 C ATOM 1279 OE1 GLU A 81 18.998 -12.849 6.035 1.00 0.00 O ATOM 1280 OE2 GLU A 81 20.701 -12.987 7.417 1.00 0.00 O ATOM 0 H GLU A 81 19.459 -8.189 5.867 1.00 0.00 H new ATOM 0 HA GLU A 81 21.859 -8.916 7.118 1.00 0.00 H new ATOM 0 HB2 GLU A 81 20.282 -10.125 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 81 21.665 -10.916 5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.309 -10.510 7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 81 18.942 -10.401 6.706 1.00 0.00 H new ATOM 1287 N MET A 82 22.142 -7.976 3.973 1.00 0.00 N ATOM 1288 CA MET A 82 23.101 -7.575 2.949 1.00 0.00 C ATOM 1289 C MET A 82 23.088 -6.062 2.756 1.00 0.00 C ATOM 1290 O MET A 82 23.482 -5.557 1.705 1.00 0.00 O ATOM 1291 CB MET A 82 22.786 -8.272 1.624 1.00 0.00 C ATOM 1292 CG MET A 82 21.498 -7.791 0.975 1.00 0.00 C ATOM 1293 SD MET A 82 21.444 -8.130 -0.795 1.00 0.00 S ATOM 1294 CE MET A 82 19.849 -7.438 -1.223 1.00 0.00 C ATOM 0 H MET A 82 21.165 -7.835 3.715 1.00 0.00 H new ATOM 0 HA MET A 82 24.095 -7.873 3.281 1.00 0.00 H new ATOM 0 HB2 MET A 82 23.613 -8.111 0.933 1.00 0.00 H new ATOM 0 HB3 MET A 82 22.718 -9.346 1.795 1.00 0.00 H new ATOM 0 HG2 MET A 82 20.649 -8.274 1.460 1.00 0.00 H new ATOM 0 HG3 MET A 82 21.391 -6.719 1.139 1.00 0.00 H new ATOM 0 HE1 MET A 82 19.669 -7.570 -2.290 1.00 0.00 H new ATOM 0 HE2 MET A 82 19.068 -7.947 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 82 19.837 -6.375 -0.982 1.00 0.00 H new ATOM 1304 N CYS A 83 22.634 -5.344 3.778 1.00 0.00 N ATOM 1305 CA CYS A 83 22.569 -3.888 3.721 1.00 0.00 C ATOM 1306 C CYS A 83 23.914 -3.269 4.092 1.00 0.00 C ATOM 1307 O CYS A 83 24.599 -3.717 5.011 1.00 0.00 O ATOM 1308 CB CYS A 83 21.480 -3.368 4.661 1.00 0.00 C ATOM 1309 SG CYS A 83 21.582 -1.581 5.000 1.00 0.00 S ATOM 0 H CYS A 83 22.306 -5.747 4.656 1.00 0.00 H new ATOM 0 HA CYS A 83 22.325 -3.600 2.698 1.00 0.00 H new ATOM 0 HB2 CYS A 83 20.505 -3.590 4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 83 21.540 -3.910 5.605 1.00 0.00 H new ATOM 0 HG CYS A 83 20.389 -1.110 5.210 1.00 0.00 H new ATOM 1314 N PRO A 84 24.302 -2.214 3.359 1.00 0.00 N ATOM 1315 CA PRO A 84 25.566 -1.511 3.593 1.00 0.00 C ATOM 1316 C PRO A 84 25.560 -0.726 4.900 1.00 0.00 C ATOM 1317 O PRO A 84 26.496 -0.817 5.694 1.00 0.00 O ATOM 1318 CB PRO A 84 25.668 -0.559 2.398 1.00 0.00 C ATOM 1319 CG PRO A 84 24.259 -0.340 1.967 1.00 0.00 C ATOM 1320 CD PRO A 84 23.535 -1.627 2.248 1.00 0.00 C ATOM 0 HA PRO A 84 26.406 -2.200 3.680 1.00 0.00 H new ATOM 0 HB2 PRO A 84 26.146 0.379 2.679 1.00 0.00 H new ATOM 0 HB3 PRO A 84 26.265 -0.993 1.596 1.00 0.00 H new ATOM 0 HG2 PRO A 84 23.808 0.489 2.513 1.00 0.00 H new ATOM 0 HG3 PRO A 84 24.210 -0.088 0.908 1.00 0.00 H new ATOM 0 HD2 PRO A 84 22.496 -1.451 2.526 1.00 0.00 H new ATOM 0 HD3 PRO A 84 23.525 -2.281 1.376 1.00 0.00 H new ATOM 1328 N ALA A 85 24.500 0.045 5.117 1.00 0.00 N ATOM 1329 CA ALA A 85 24.371 0.845 6.329 1.00 0.00 C ATOM 1330 C ALA A 85 24.448 -0.032 7.575 1.00 0.00 C ATOM 1331 O ALA A 85 24.999 0.375 8.598 1.00 0.00 O ATOM 1332 CB ALA A 85 23.065 1.625 6.310 1.00 0.00 C ATOM 0 H ALA A 85 23.717 0.133 4.469 1.00 0.00 H new ATOM 0 HA ALA A 85 25.202 1.550 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 85 22.982 2.218 7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 85 23.049 2.287 5.444 1.00 0.00 H new ATOM 0 HB3 ALA A 85 22.227 0.930 6.252 1.00 0.00 H new ATOM 1338 N SER A 86 23.893 -1.235 7.481 1.00 0.00 N ATOM 1339 CA SER A 86 23.895 -2.167 8.603 1.00 0.00 C ATOM 1340 C SER A 86 25.321 -2.520 9.013 1.00 0.00 C ATOM 1341 O SER A 86 25.559 -3.009 10.118 1.00 0.00 O ATOM 1342 CB SER A 86 23.128 -3.440 8.238 1.00 0.00 C ATOM 1343 OG SER A 86 21.750 -3.311 8.544 1.00 0.00 O ATOM 0 H SER A 86 23.436 -1.588 6.640 1.00 0.00 H new ATOM 0 HA SER A 86 23.402 -1.683 9.446 1.00 0.00 H new ATOM 0 HB2 SER A 86 23.250 -3.649 7.175 1.00 0.00 H new ATOM 0 HB3 SER A 86 23.546 -4.288 8.780 1.00 0.00 H new ATOM 0 HG SER A 86 21.258 -4.067 8.161 1.00 0.00 H new