USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 490 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 27 HIS : no HD1:sc= -5.41 K(o=-11,f=-18!) USER MOD Set 1.2: A 31 HIS : no HD1:sc= -5.7! C(o=-11!,f=-12!) USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.536 USER MOD Set 2.2: A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -137:sc= 0.0674 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.27) USER MOD Single : A 22 THR OG1 : rot 84:sc= 0.82 USER MOD Single : A 23 SER OG : rot 75:sc= 1.2 USER MOD Single : A 28 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.0138) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= -0.0205 USER MOD Single : A 37 ASN : amide:sc= -2.37 K(o=-2.4,f=-7.8!) USER MOD Single : A 42 SER OG : rot 179:sc= -1.35 USER MOD Single : A 43 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.0144) USER MOD Single : A 44 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.00541) USER MOD Single : A 45 CYS SG : rot -25:sc= -2.52 USER MOD Single : A 46 SER OG : rot -83:sc= 0.276 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -100:sc= -0.158 USER MOD Single : A 52 MET CE :methyl -172:sc= -1.28 (180deg=-1.45) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.00937 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 152:sc= -0.175 (180deg=-1.09) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -13.366 10.359 -4.793 1.00 0.00 N ATOM 164 CA LYS A 12 -12.383 9.241 -4.686 1.00 0.00 C ATOM 165 C LYS A 12 -13.115 7.909 -4.503 1.00 0.00 C ATOM 166 O LYS A 12 -12.674 6.878 -4.972 1.00 0.00 O ATOM 167 CB LYS A 12 -11.547 9.566 -3.444 1.00 0.00 C ATOM 168 CG LYS A 12 -10.195 10.146 -3.867 1.00 0.00 C ATOM 169 CD LYS A 12 -9.516 10.792 -2.658 1.00 0.00 C ATOM 170 CE LYS A 12 -10.176 12.140 -2.360 1.00 0.00 C ATOM 171 NZ LYS A 12 -9.326 12.759 -1.305 1.00 0.00 N ATOM 0 HA LYS A 12 -11.767 9.146 -5.580 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.078 10.279 -2.813 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.397 8.665 -2.849 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -9.561 9.359 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.335 10.884 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.595 10.137 -1.790 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.453 10.932 -2.856 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.217 12.765 -3.252 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.202 12.010 -2.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.933 13.189 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.728 12.029 -0.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.723 13.492 -1.731 1.00 0.00 H new ATOM 185 N MET A 13 -14.233 7.926 -3.817 1.00 0.00 N ATOM 186 CA MET A 13 -15.015 6.666 -3.585 1.00 0.00 C ATOM 187 C MET A 13 -14.126 5.583 -2.963 1.00 0.00 C ATOM 188 O MET A 13 -12.967 5.811 -2.673 1.00 0.00 O ATOM 189 CB MET A 13 -15.512 6.228 -4.967 1.00 0.00 C ATOM 190 CG MET A 13 -16.857 6.896 -5.261 1.00 0.00 C ATOM 191 SD MET A 13 -17.432 6.396 -6.902 1.00 0.00 S ATOM 192 CE MET A 13 -17.478 8.047 -7.640 1.00 0.00 C ATOM 0 H MET A 13 -14.642 8.764 -3.404 1.00 0.00 H new ATOM 0 HA MET A 13 -15.841 6.829 -2.893 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.784 6.501 -5.731 1.00 0.00 H new ATOM 0 HB3 MET A 13 -15.617 5.144 -5.000 1.00 0.00 H new ATOM 0 HG2 MET A 13 -17.589 6.612 -4.505 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.755 7.980 -5.214 1.00 0.00 H new ATOM 0 HE1 MET A 13 -17.813 7.974 -8.675 1.00 0.00 H new ATOM 0 HE2 MET A 13 -18.168 8.677 -7.079 1.00 0.00 H new ATOM 0 HE3 MET A 13 -16.481 8.486 -7.612 1.00 0.00 H new ATOM 202 N SER A 14 -14.667 4.410 -2.756 1.00 0.00 N ATOM 203 CA SER A 14 -13.865 3.304 -2.150 1.00 0.00 C ATOM 204 C SER A 14 -14.306 1.954 -2.725 1.00 0.00 C ATOM 205 O SER A 14 -15.188 1.886 -3.560 1.00 0.00 O ATOM 206 CB SER A 14 -14.164 3.381 -0.652 1.00 0.00 C ATOM 207 OG SER A 14 -13.804 2.153 -0.035 1.00 0.00 O ATOM 0 H SER A 14 -15.632 4.169 -2.981 1.00 0.00 H new ATOM 0 HA SER A 14 -12.799 3.399 -2.358 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.609 4.204 -0.201 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.223 3.585 -0.491 1.00 0.00 H new ATOM 0 HG SER A 14 -13.993 2.202 0.925 1.00 0.00 H new ATOM 213 N SER A 15 -13.698 0.883 -2.282 1.00 0.00 N ATOM 214 CA SER A 15 -14.075 -0.470 -2.800 1.00 0.00 C ATOM 215 C SER A 15 -15.553 -0.756 -2.522 1.00 0.00 C ATOM 216 O SER A 15 -16.201 -1.481 -3.254 1.00 0.00 O ATOM 217 CB SER A 15 -13.188 -1.456 -2.035 1.00 0.00 C ATOM 218 OG SER A 15 -13.531 -1.422 -0.656 1.00 0.00 O ATOM 0 H SER A 15 -12.955 0.886 -1.583 1.00 0.00 H new ATOM 0 HA SER A 15 -13.934 -0.547 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.319 -2.463 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.138 -1.196 -2.167 1.00 0.00 H new ATOM 0 HG SER A 15 -12.966 -2.053 -0.163 1.00 0.00 H new ATOM 224 N TYR A 16 -16.090 -0.190 -1.470 1.00 0.00 N ATOM 225 CA TYR A 16 -17.529 -0.424 -1.139 1.00 0.00 C ATOM 226 C TYR A 16 -18.424 0.387 -2.080 1.00 0.00 C ATOM 227 O TYR A 16 -19.445 -0.089 -2.541 1.00 0.00 O ATOM 228 CB TYR A 16 -17.695 0.053 0.304 1.00 0.00 C ATOM 229 CG TYR A 16 -18.955 -0.540 0.888 1.00 0.00 C ATOM 230 CD1 TYR A 16 -18.962 -1.866 1.334 1.00 0.00 C ATOM 231 CD2 TYR A 16 -20.116 0.237 0.982 1.00 0.00 C ATOM 232 CE1 TYR A 16 -20.131 -2.417 1.875 1.00 0.00 C ATOM 233 CE2 TYR A 16 -21.285 -0.313 1.523 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.292 -1.640 1.970 1.00 0.00 C ATOM 235 OH TYR A 16 -22.443 -2.182 2.504 1.00 0.00 O ATOM 0 H TYR A 16 -15.593 0.425 -0.825 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.811 -1.471 -1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.831 -0.244 0.898 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.744 1.141 0.335 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -18.066 -2.465 1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.110 1.261 0.637 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -20.137 -3.441 2.219 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -22.181 0.286 1.595 1.00 0.00 H new ATOM 0 HH TYR A 16 -23.155 -1.509 2.498 1.00 0.00 H new ATOM 245 N ALA A 17 -18.047 1.607 -2.367 1.00 0.00 N ATOM 246 CA ALA A 17 -18.870 2.456 -3.281 1.00 0.00 C ATOM 247 C ALA A 17 -18.818 1.896 -4.704 1.00 0.00 C ATOM 248 O ALA A 17 -19.782 1.961 -5.442 1.00 0.00 O ATOM 249 CB ALA A 17 -18.233 3.847 -3.227 1.00 0.00 C ATOM 0 H ALA A 17 -17.203 2.053 -2.007 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.919 2.483 -2.984 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.786 4.526 -3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.261 4.220 -2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.198 3.786 -3.563 1.00 0.00 H new ATOM 255 N PHE A 18 -17.696 1.342 -5.088 1.00 0.00 N ATOM 256 CA PHE A 18 -17.571 0.768 -6.463 1.00 0.00 C ATOM 257 C PHE A 18 -18.350 -0.546 -6.555 1.00 0.00 C ATOM 258 O PHE A 18 -18.833 -0.918 -7.608 1.00 0.00 O ATOM 259 CB PHE A 18 -16.074 0.519 -6.660 1.00 0.00 C ATOM 260 CG PHE A 18 -15.432 1.754 -7.247 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.838 2.225 -8.501 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.432 2.428 -6.536 1.00 0.00 C ATOM 263 CE1 PHE A 18 -15.243 3.370 -9.045 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.837 3.573 -7.080 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.243 4.043 -8.335 1.00 0.00 C ATOM 0 H PHE A 18 -16.860 1.262 -4.509 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.974 1.434 -7.226 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.607 0.271 -5.707 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.920 -0.334 -7.322 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.610 1.705 -9.049 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.119 2.065 -5.568 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.556 3.733 -10.013 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.065 4.093 -6.532 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.784 4.926 -8.755 1.00 0.00 H new ATOM 275 N PHE A 19 -18.475 -1.249 -5.457 1.00 0.00 N ATOM 276 CA PHE A 19 -19.226 -2.542 -5.472 1.00 0.00 C ATOM 277 C PHE A 19 -20.685 -2.298 -5.868 1.00 0.00 C ATOM 278 O PHE A 19 -21.184 -2.880 -6.812 1.00 0.00 O ATOM 279 CB PHE A 19 -19.141 -3.078 -4.041 1.00 0.00 C ATOM 280 CG PHE A 19 -19.423 -4.561 -4.044 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.581 -5.432 -4.744 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.526 -5.064 -3.346 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.843 -6.808 -4.748 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.789 -6.438 -3.349 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.948 -7.310 -4.049 1.00 0.00 C ATOM 0 H PHE A 19 -18.089 -0.983 -4.551 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.812 -3.248 -6.192 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -18.151 -2.886 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.859 -2.561 -3.404 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.729 -5.043 -5.281 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -21.175 -4.391 -2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -18.194 -7.481 -5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.641 -6.826 -2.811 1.00 0.00 H new ATOM 0 HZ PHE A 19 -20.151 -8.371 -4.050 1.00 0.00 H new ATOM 295 N VAL A 20 -21.368 -1.436 -5.156 1.00 0.00 N ATOM 296 CA VAL A 20 -22.796 -1.144 -5.493 1.00 0.00 C ATOM 297 C VAL A 20 -22.877 -0.526 -6.893 1.00 0.00 C ATOM 298 O VAL A 20 -23.845 -0.712 -7.606 1.00 0.00 O ATOM 299 CB VAL A 20 -23.271 -0.152 -4.424 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.720 0.264 -4.701 1.00 0.00 C ATOM 301 CG2 VAL A 20 -23.190 -0.814 -3.047 1.00 0.00 C ATOM 0 H VAL A 20 -20.999 -0.922 -4.356 1.00 0.00 H new ATOM 0 HA VAL A 20 -23.417 -2.040 -5.502 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.634 0.732 -4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -25.049 0.968 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.782 0.737 -5.681 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -25.361 -0.617 -4.682 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.527 -0.111 -2.285 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.826 -1.699 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -22.159 -1.104 -2.843 1.00 0.00 H new ATOM 311 N GLN A 21 -21.863 0.201 -7.289 1.00 0.00 N ATOM 312 CA GLN A 21 -21.871 0.830 -8.645 1.00 0.00 C ATOM 313 C GLN A 21 -21.755 -0.254 -9.720 1.00 0.00 C ATOM 314 O GLN A 21 -22.500 -0.268 -10.681 1.00 0.00 O ATOM 315 CB GLN A 21 -20.646 1.747 -8.674 1.00 0.00 C ATOM 316 CG GLN A 21 -20.708 2.644 -9.911 1.00 0.00 C ATOM 317 CD GLN A 21 -21.851 3.650 -9.756 1.00 0.00 C ATOM 318 OE1 GLN A 21 -21.705 4.654 -9.088 1.00 0.00 O ATOM 319 NE2 GLN A 21 -22.990 3.421 -10.349 1.00 0.00 N ATOM 0 H GLN A 21 -21.029 0.386 -6.731 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.790 1.382 -8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.614 2.357 -7.771 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.733 1.151 -8.689 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -19.762 3.170 -10.040 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -20.861 2.039 -10.805 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -23.113 2.578 -10.910 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -23.758 4.085 -10.252 1.00 0.00 H new ATOM 328 N THR A 22 -20.829 -1.164 -9.555 1.00 0.00 N ATOM 329 CA THR A 22 -20.660 -2.260 -10.556 1.00 0.00 C ATOM 330 C THR A 22 -21.742 -3.321 -10.348 1.00 0.00 C ATOM 331 O THR A 22 -22.188 -3.960 -11.284 1.00 0.00 O ATOM 332 CB THR A 22 -19.273 -2.844 -10.284 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.316 -1.794 -10.262 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.913 -3.843 -11.384 1.00 0.00 C ATOM 0 H THR A 22 -20.181 -1.195 -8.768 1.00 0.00 H new ATOM 0 HA THR A 22 -20.750 -1.903 -11.582 1.00 0.00 H new ATOM 0 HB THR A 22 -19.275 -3.355 -9.321 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.296 -1.388 -9.370 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.924 -4.258 -11.189 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.648 -4.648 -11.399 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.910 -3.336 -12.349 1.00 0.00 H new ATOM 342 N SER A 23 -22.168 -3.508 -9.125 1.00 0.00 N ATOM 343 CA SER A 23 -23.228 -4.522 -8.842 1.00 0.00 C ATOM 344 C SER A 23 -24.569 -4.040 -9.399 1.00 0.00 C ATOM 345 O SER A 23 -25.400 -4.829 -9.807 1.00 0.00 O ATOM 346 CB SER A 23 -23.286 -4.633 -7.318 1.00 0.00 C ATOM 347 OG SER A 23 -22.102 -5.260 -6.847 1.00 0.00 O ATOM 0 H SER A 23 -21.827 -3.001 -8.308 1.00 0.00 H new ATOM 0 HA SER A 23 -23.014 -5.485 -9.305 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.388 -3.643 -6.874 1.00 0.00 H new ATOM 0 HB3 SER A 23 -24.161 -5.209 -7.017 1.00 0.00 H new ATOM 0 HG SER A 23 -21.356 -4.626 -6.891 1.00 0.00 H new ATOM 353 N ARG A 24 -24.777 -2.747 -9.426 1.00 0.00 N ATOM 354 CA ARG A 24 -26.059 -2.202 -9.966 1.00 0.00 C ATOM 355 C ARG A 24 -26.107 -2.413 -11.479 1.00 0.00 C ATOM 356 O ARG A 24 -27.118 -2.809 -12.028 1.00 0.00 O ATOM 357 CB ARG A 24 -26.043 -0.710 -9.626 1.00 0.00 C ATOM 358 CG ARG A 24 -26.778 -0.481 -8.304 1.00 0.00 C ATOM 359 CD ARG A 24 -27.382 0.925 -8.292 1.00 0.00 C ATOM 360 NE ARG A 24 -27.578 1.247 -6.851 1.00 0.00 N ATOM 361 CZ ARG A 24 -28.730 1.019 -6.282 1.00 0.00 C ATOM 362 NH1 ARG A 24 -29.714 1.860 -6.443 1.00 0.00 N ATOM 363 NH2 ARG A 24 -28.897 -0.049 -5.552 1.00 0.00 N ATOM 0 H ARG A 24 -24.114 -2.046 -9.097 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.933 -2.695 -9.542 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.015 -0.354 -9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -26.519 -0.139 -10.423 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.563 -1.227 -8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -26.089 -0.599 -7.468 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.717 1.644 -8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.327 0.954 -8.835 1.00 0.00 H new ATOM 0 HE ARG A 24 -26.812 1.646 -6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -29.583 2.695 -7.013 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -30.615 1.682 -5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -28.127 -0.706 -5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -29.798 -0.227 -5.107 1.00 0.00 H new ATOM 377 N GLU A 25 -25.011 -2.163 -12.153 1.00 0.00 N ATOM 378 CA GLU A 25 -24.979 -2.362 -13.634 1.00 0.00 C ATOM 379 C GLU A 25 -25.206 -3.841 -13.950 1.00 0.00 C ATOM 380 O GLU A 25 -25.857 -4.187 -14.917 1.00 0.00 O ATOM 381 CB GLU A 25 -23.580 -1.925 -14.073 1.00 0.00 C ATOM 382 CG GLU A 25 -23.509 -0.397 -14.107 1.00 0.00 C ATOM 383 CD GLU A 25 -22.243 0.040 -14.846 1.00 0.00 C ATOM 384 OE1 GLU A 25 -22.205 -0.111 -16.055 1.00 0.00 O ATOM 385 OE2 GLU A 25 -21.334 0.518 -14.188 1.00 0.00 O ATOM 0 H GLU A 25 -24.139 -1.830 -11.742 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.752 -1.793 -14.150 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -22.832 -2.319 -13.385 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.353 -2.332 -15.058 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -24.391 0.007 -14.604 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -23.505 -0.000 -13.092 1.00 0.00 H new ATOM 392 N GLU A 26 -24.685 -4.711 -13.125 1.00 0.00 N ATOM 393 CA GLU A 26 -24.879 -6.175 -13.351 1.00 0.00 C ATOM 394 C GLU A 26 -26.357 -6.540 -13.164 1.00 0.00 C ATOM 395 O GLU A 26 -26.821 -7.547 -13.663 1.00 0.00 O ATOM 396 CB GLU A 26 -24.014 -6.867 -12.295 1.00 0.00 C ATOM 397 CG GLU A 26 -24.082 -8.383 -12.491 1.00 0.00 C ATOM 398 CD GLU A 26 -25.281 -8.944 -11.725 1.00 0.00 C ATOM 399 OE1 GLU A 26 -25.353 -8.718 -10.528 1.00 0.00 O ATOM 400 OE2 GLU A 26 -26.107 -9.590 -12.348 1.00 0.00 O ATOM 0 H GLU A 26 -24.132 -4.471 -12.302 1.00 0.00 H new ATOM 0 HA GLU A 26 -24.598 -6.478 -14.359 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -22.982 -6.526 -12.375 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.361 -6.603 -11.296 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -24.172 -8.619 -13.551 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -23.162 -8.848 -12.137 1.00 0.00 H new ATOM 407 N HIS A 27 -27.100 -5.723 -12.452 1.00 0.00 N ATOM 408 CA HIS A 27 -28.549 -6.011 -12.236 1.00 0.00 C ATOM 409 C HIS A 27 -29.392 -5.265 -13.279 1.00 0.00 C ATOM 410 O HIS A 27 -30.488 -4.821 -13.004 1.00 0.00 O ATOM 411 CB HIS A 27 -28.841 -5.502 -10.820 1.00 0.00 C ATOM 412 CG HIS A 27 -30.263 -5.813 -10.430 1.00 0.00 C ATOM 413 ND1 HIS A 27 -30.625 -7.023 -9.858 1.00 0.00 N ATOM 414 CD2 HIS A 27 -31.419 -5.071 -10.495 1.00 0.00 C ATOM 415 CE1 HIS A 27 -31.946 -6.973 -9.602 1.00 0.00 C ATOM 416 NE2 HIS A 27 -32.478 -5.805 -9.973 1.00 0.00 N ATOM 0 H HIS A 27 -26.761 -4.868 -12.012 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.790 -7.069 -12.340 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -28.154 -5.965 -10.112 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.671 -4.426 -10.772 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -31.493 -4.069 -10.892 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -32.507 -7.779 -9.152 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -33.452 -5.514 -9.891 1.00 0.00 H new ATOM 424 N LYS A 28 -28.889 -5.129 -14.482 1.00 0.00 N ATOM 425 CA LYS A 28 -29.664 -4.419 -15.543 1.00 0.00 C ATOM 426 C LYS A 28 -29.927 -5.354 -16.729 1.00 0.00 C ATOM 427 O LYS A 28 -30.084 -4.912 -17.851 1.00 0.00 O ATOM 428 CB LYS A 28 -28.775 -3.250 -15.968 1.00 0.00 C ATOM 429 CG LYS A 28 -28.957 -2.086 -14.991 1.00 0.00 C ATOM 430 CD LYS A 28 -30.335 -1.455 -15.201 1.00 0.00 C ATOM 431 CE LYS A 28 -30.424 -0.149 -14.410 1.00 0.00 C ATOM 432 NZ LYS A 28 -30.728 -0.565 -13.013 1.00 0.00 N ATOM 0 H LYS A 28 -27.976 -5.479 -14.773 1.00 0.00 H new ATOM 0 HA LYS A 28 -30.637 -4.083 -15.185 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -27.731 -3.562 -15.987 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -29.032 -2.933 -16.979 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -28.860 -2.440 -13.965 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -28.177 -1.341 -15.147 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -30.501 -1.263 -16.261 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -31.115 -2.143 -14.876 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -29.489 0.408 -14.461 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -31.204 0.501 -14.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -31.607 -0.107 -12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -30.843 -1.598 -12.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -29.946 -0.281 -12.388 1.00 0.00 H new ATOM 446 N LYS A 29 -29.978 -6.642 -16.487 1.00 0.00 N ATOM 447 CA LYS A 29 -30.233 -7.610 -17.598 1.00 0.00 C ATOM 448 C LYS A 29 -31.475 -8.459 -17.287 1.00 0.00 C ATOM 449 O LYS A 29 -32.556 -8.184 -17.776 1.00 0.00 O ATOM 450 CB LYS A 29 -28.974 -8.477 -17.668 1.00 0.00 C ATOM 451 CG LYS A 29 -27.975 -7.851 -18.643 1.00 0.00 C ATOM 452 CD LYS A 29 -27.107 -6.832 -17.901 1.00 0.00 C ATOM 453 CE LYS A 29 -25.834 -7.515 -17.396 1.00 0.00 C ATOM 454 NZ LYS A 29 -24.826 -7.285 -18.468 1.00 0.00 N ATOM 0 H LYS A 29 -29.854 -7.064 -15.567 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.428 -7.112 -18.548 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.525 -8.566 -16.679 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -29.232 -9.485 -17.993 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -27.348 -8.625 -19.085 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -28.506 -7.365 -19.462 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -26.850 -6.006 -18.564 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -27.661 -6.408 -17.064 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -25.507 -7.089 -16.448 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -25.997 -8.580 -17.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -23.923 -7.724 -18.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -25.162 -7.707 -19.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -24.687 -6.263 -18.601 1.00 0.00 H new ATOM 468 N LYS A 30 -31.334 -9.482 -16.475 1.00 0.00 N ATOM 469 CA LYS A 30 -32.512 -10.338 -16.131 1.00 0.00 C ATOM 470 C LYS A 30 -33.161 -9.834 -14.842 1.00 0.00 C ATOM 471 O LYS A 30 -33.382 -10.588 -13.913 1.00 0.00 O ATOM 472 CB LYS A 30 -31.956 -11.757 -15.939 1.00 0.00 C ATOM 473 CG LYS A 30 -30.895 -11.771 -14.827 1.00 0.00 C ATOM 474 CD LYS A 30 -29.567 -12.302 -15.376 1.00 0.00 C ATOM 475 CE LYS A 30 -29.534 -13.825 -15.245 1.00 0.00 C ATOM 476 NZ LYS A 30 -28.231 -14.234 -15.840 1.00 0.00 N ATOM 0 H LYS A 30 -30.455 -9.759 -16.037 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.275 -10.315 -16.909 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -32.766 -12.441 -15.686 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -31.519 -12.112 -16.872 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.758 -10.765 -14.431 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -31.232 -12.396 -14.000 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.452 -12.014 -16.421 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.733 -11.861 -14.830 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -29.606 -14.133 -14.202 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -30.370 -14.285 -15.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -28.135 -15.268 -15.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -28.194 -13.933 -16.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.453 -13.786 -15.314 1.00 0.00 H new ATOM 490 N HIS A 31 -33.455 -8.563 -14.780 1.00 0.00 N ATOM 491 CA HIS A 31 -34.080 -7.997 -13.547 1.00 0.00 C ATOM 492 C HIS A 31 -35.108 -6.916 -13.930 1.00 0.00 C ATOM 493 O HIS A 31 -35.038 -5.804 -13.443 1.00 0.00 O ATOM 494 CB HIS A 31 -32.921 -7.380 -12.749 1.00 0.00 C ATOM 495 CG HIS A 31 -31.818 -8.393 -12.544 1.00 0.00 C ATOM 496 ND1 HIS A 31 -30.565 -8.241 -13.112 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.762 -9.560 -11.826 1.00 0.00 C ATOM 498 CE1 HIS A 31 -29.812 -9.285 -12.725 1.00 0.00 C ATOM 499 NE2 HIS A 31 -30.493 -10.121 -11.938 1.00 0.00 N ATOM 0 H HIS A 31 -33.290 -7.891 -15.529 1.00 0.00 H new ATOM 0 HA HIS A 31 -34.608 -8.754 -12.967 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -32.530 -6.511 -13.278 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -33.284 -7.029 -11.783 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -32.579 -9.980 -11.259 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -28.782 -9.430 -13.015 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.156 -10.984 -11.511 1.00 0.00 H new ATOM 507 N PRO A 32 -36.034 -7.268 -14.798 1.00 0.00 N ATOM 508 CA PRO A 32 -37.064 -6.291 -15.232 1.00 0.00 C ATOM 509 C PRO A 32 -38.077 -6.043 -14.110 1.00 0.00 C ATOM 510 O PRO A 32 -38.384 -4.914 -13.780 1.00 0.00 O ATOM 511 CB PRO A 32 -37.730 -6.972 -16.424 1.00 0.00 C ATOM 512 CG PRO A 32 -37.505 -8.435 -16.212 1.00 0.00 C ATOM 513 CD PRO A 32 -36.216 -8.578 -15.448 1.00 0.00 C ATOM 0 HA PRO A 32 -36.646 -5.316 -15.484 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -38.794 -6.739 -16.467 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.292 -6.638 -17.364 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.333 -8.876 -15.657 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -37.447 -8.958 -17.166 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -36.275 -9.382 -14.714 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -35.384 -8.812 -16.112 1.00 0.00 H new ATOM 521 N ASP A 33 -38.597 -7.093 -13.529 1.00 0.00 N ATOM 522 CA ASP A 33 -39.596 -6.928 -12.428 1.00 0.00 C ATOM 523 C ASP A 33 -38.885 -6.809 -11.074 1.00 0.00 C ATOM 524 O ASP A 33 -39.393 -6.203 -10.150 1.00 0.00 O ATOM 525 CB ASP A 33 -40.468 -8.188 -12.477 1.00 0.00 C ATOM 526 CG ASP A 33 -39.606 -9.438 -12.263 1.00 0.00 C ATOM 527 OD1 ASP A 33 -38.947 -9.848 -13.204 1.00 0.00 O ATOM 528 OD2 ASP A 33 -39.619 -9.960 -11.160 1.00 0.00 O ATOM 0 H ASP A 33 -38.374 -8.059 -13.769 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.192 -6.023 -12.549 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.240 -8.134 -11.710 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -40.978 -8.249 -13.439 1.00 0.00 H new ATOM 533 N SER A 34 -37.716 -7.387 -10.954 1.00 0.00 N ATOM 534 CA SER A 34 -36.967 -7.313 -9.663 1.00 0.00 C ATOM 535 C SER A 34 -36.316 -5.937 -9.505 1.00 0.00 C ATOM 536 O SER A 34 -35.162 -5.745 -9.841 1.00 0.00 O ATOM 537 CB SER A 34 -35.899 -8.403 -9.756 1.00 0.00 C ATOM 538 OG SER A 34 -35.365 -8.650 -8.463 1.00 0.00 O ATOM 0 H SER A 34 -37.248 -7.908 -11.696 1.00 0.00 H new ATOM 0 HA SER A 34 -37.620 -7.456 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.331 -9.317 -10.164 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.106 -8.094 -10.436 1.00 0.00 H new ATOM 0 HG SER A 34 -34.681 -9.350 -8.520 1.00 0.00 H new ATOM 544 N SER A 35 -37.048 -4.980 -8.992 1.00 0.00 N ATOM 545 CA SER A 35 -36.477 -3.611 -8.805 1.00 0.00 C ATOM 546 C SER A 35 -35.479 -3.610 -7.653 1.00 0.00 C ATOM 547 O SER A 35 -35.295 -4.605 -6.977 1.00 0.00 O ATOM 548 CB SER A 35 -37.673 -2.714 -8.484 1.00 0.00 C ATOM 549 OG SER A 35 -37.262 -1.353 -8.523 1.00 0.00 O ATOM 0 H SER A 35 -38.018 -5.088 -8.694 1.00 0.00 H new ATOM 0 HA SER A 35 -35.941 -3.266 -9.689 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.474 -2.885 -9.203 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.071 -2.958 -7.499 1.00 0.00 H new ATOM 0 HG SER A 35 -38.026 -0.774 -8.319 1.00 0.00 H new ATOM 555 N VAL A 36 -34.826 -2.500 -7.438 1.00 0.00 N ATOM 556 CA VAL A 36 -33.821 -2.423 -6.342 1.00 0.00 C ATOM 557 C VAL A 36 -33.795 -1.020 -5.727 1.00 0.00 C ATOM 558 O VAL A 36 -32.934 -0.216 -6.030 1.00 0.00 O ATOM 559 CB VAL A 36 -32.483 -2.747 -7.014 1.00 0.00 C ATOM 560 CG1 VAL A 36 -32.521 -4.177 -7.556 1.00 0.00 C ATOM 561 CG2 VAL A 36 -32.211 -1.764 -8.166 1.00 0.00 C ATOM 0 H VAL A 36 -34.946 -1.642 -7.976 1.00 0.00 H new ATOM 0 HA VAL A 36 -34.048 -3.111 -5.527 1.00 0.00 H new ATOM 0 HB VAL A 36 -31.684 -2.654 -6.278 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -31.570 -4.410 -8.035 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -32.694 -4.873 -6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -33.326 -4.269 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -31.257 -2.007 -8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -33.008 -1.841 -8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -32.175 -0.747 -7.776 1.00 0.00 H new ATOM 571 N ASN A 37 -34.730 -0.725 -4.858 1.00 0.00 N ATOM 572 CA ASN A 37 -34.762 0.625 -4.208 1.00 0.00 C ATOM 573 C ASN A 37 -33.617 0.752 -3.195 1.00 0.00 C ATOM 574 O ASN A 37 -33.836 0.898 -2.012 1.00 0.00 O ATOM 575 CB ASN A 37 -36.125 0.717 -3.505 1.00 0.00 C ATOM 576 CG ASN A 37 -36.307 -0.457 -2.536 1.00 0.00 C ATOM 577 OD1 ASN A 37 -36.740 -1.521 -2.932 1.00 0.00 O ATOM 578 ND2 ASN A 37 -35.996 -0.311 -1.277 1.00 0.00 N ATOM 0 H ASN A 37 -35.474 -1.360 -4.569 1.00 0.00 H new ATOM 0 HA ASN A 37 -34.635 1.429 -4.933 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -36.199 1.659 -2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -36.924 0.713 -4.246 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -36.117 -1.089 -0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -35.632 0.581 -0.942 1.00 0.00 H new ATOM 585 N PHE A 38 -32.396 0.695 -3.669 1.00 0.00 N ATOM 586 CA PHE A 38 -31.198 0.802 -2.775 1.00 0.00 C ATOM 587 C PHE A 38 -31.216 -0.267 -1.680 1.00 0.00 C ATOM 588 O PHE A 38 -30.551 -1.264 -1.796 1.00 0.00 O ATOM 589 CB PHE A 38 -31.230 2.202 -2.160 1.00 0.00 C ATOM 590 CG PHE A 38 -30.920 3.221 -3.228 1.00 0.00 C ATOM 591 CD1 PHE A 38 -29.589 3.468 -3.586 1.00 0.00 C ATOM 592 CD2 PHE A 38 -31.955 3.915 -3.864 1.00 0.00 C ATOM 593 CE1 PHE A 38 -29.292 4.407 -4.580 1.00 0.00 C ATOM 594 CE2 PHE A 38 -31.659 4.856 -4.859 1.00 0.00 C ATOM 595 CZ PHE A 38 -30.327 5.101 -5.217 1.00 0.00 C ATOM 0 H PHE A 38 -32.174 0.576 -4.658 1.00 0.00 H new ATOM 0 HA PHE A 38 -30.284 0.642 -3.347 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -32.210 2.399 -1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -30.503 2.273 -1.351 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -28.790 2.933 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -32.982 3.725 -3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -28.265 4.596 -4.855 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -32.458 5.392 -5.350 1.00 0.00 H new ATOM 0 HZ PHE A 38 -30.099 5.826 -5.985 1.00 0.00 H new ATOM 605 N ALA A 39 -31.950 -0.056 -0.611 1.00 0.00 N ATOM 606 CA ALA A 39 -31.987 -1.051 0.518 1.00 0.00 C ATOM 607 C ALA A 39 -32.111 -2.498 0.031 1.00 0.00 C ATOM 608 O ALA A 39 -31.399 -3.368 0.498 1.00 0.00 O ATOM 609 CB ALA A 39 -33.207 -0.661 1.354 1.00 0.00 C ATOM 0 H ALA A 39 -32.531 0.770 -0.469 1.00 0.00 H new ATOM 0 HA ALA A 39 -31.057 -1.020 1.086 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -33.302 -1.343 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -33.086 0.358 1.721 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -34.104 -0.720 0.738 1.00 0.00 H new ATOM 615 N GLU A 40 -32.990 -2.767 -0.897 1.00 0.00 N ATOM 616 CA GLU A 40 -33.128 -4.170 -1.402 1.00 0.00 C ATOM 617 C GLU A 40 -31.791 -4.659 -1.976 1.00 0.00 C ATOM 618 O GLU A 40 -31.550 -5.848 -2.081 1.00 0.00 O ATOM 619 CB GLU A 40 -34.199 -4.106 -2.495 1.00 0.00 C ATOM 620 CG GLU A 40 -35.532 -4.613 -1.938 1.00 0.00 C ATOM 621 CD GLU A 40 -36.201 -3.507 -1.121 1.00 0.00 C ATOM 622 OE1 GLU A 40 -35.516 -2.889 -0.322 1.00 0.00 O ATOM 623 OE2 GLU A 40 -37.389 -3.296 -1.307 1.00 0.00 O ATOM 0 H GLU A 40 -33.615 -2.085 -1.326 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.406 -4.866 -0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -34.308 -3.082 -2.852 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.897 -4.711 -3.350 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -36.185 -4.921 -2.754 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.366 -5.491 -1.313 1.00 0.00 H new ATOM 630 N PHE A 41 -30.916 -3.748 -2.335 1.00 0.00 N ATOM 631 CA PHE A 41 -29.591 -4.149 -2.888 1.00 0.00 C ATOM 632 C PHE A 41 -28.485 -3.816 -1.885 1.00 0.00 C ATOM 633 O PHE A 41 -27.553 -4.573 -1.694 1.00 0.00 O ATOM 634 CB PHE A 41 -29.435 -3.328 -4.167 1.00 0.00 C ATOM 635 CG PHE A 41 -28.479 -4.022 -5.107 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.820 -5.261 -5.662 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.255 -3.425 -5.425 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.934 -5.902 -6.537 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.370 -4.065 -6.299 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.709 -5.304 -6.855 1.00 0.00 C ATOM 0 H PHE A 41 -31.067 -2.742 -2.267 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.524 -5.219 -3.086 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.404 -3.200 -4.649 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -29.064 -2.331 -3.927 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.765 -5.722 -5.416 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -26.993 -2.469 -4.996 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -28.196 -6.858 -6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.425 -3.603 -6.545 1.00 0.00 H new ATOM 0 HZ PHE A 41 -26.025 -5.799 -7.529 1.00 0.00 H new ATOM 650 N SER A 42 -28.597 -2.688 -1.237 1.00 0.00 N ATOM 651 CA SER A 42 -27.577 -2.278 -0.224 1.00 0.00 C ATOM 652 C SER A 42 -27.450 -3.360 0.861 1.00 0.00 C ATOM 653 O SER A 42 -26.439 -3.474 1.527 1.00 0.00 O ATOM 654 CB SER A 42 -28.111 -0.962 0.352 1.00 0.00 C ATOM 655 OG SER A 42 -28.932 -1.215 1.486 1.00 0.00 O ATOM 0 H SER A 42 -29.360 -2.024 -1.367 1.00 0.00 H new ATOM 0 HA SER A 42 -26.581 -2.153 -0.648 1.00 0.00 H new ATOM 0 HB2 SER A 42 -27.279 -0.317 0.634 1.00 0.00 H new ATOM 0 HB3 SER A 42 -28.683 -0.430 -0.408 1.00 0.00 H new ATOM 0 HG SER A 42 -29.252 -0.365 1.854 1.00 0.00 H new ATOM 661 N LYS A 43 -28.480 -4.156 1.032 1.00 0.00 N ATOM 662 CA LYS A 43 -28.446 -5.237 2.055 1.00 0.00 C ATOM 663 C LYS A 43 -27.870 -6.521 1.451 1.00 0.00 C ATOM 664 O LYS A 43 -27.302 -7.342 2.146 1.00 0.00 O ATOM 665 CB LYS A 43 -29.913 -5.444 2.440 1.00 0.00 C ATOM 666 CG LYS A 43 -30.228 -4.651 3.710 1.00 0.00 C ATOM 667 CD LYS A 43 -29.711 -5.416 4.930 1.00 0.00 C ATOM 668 CE LYS A 43 -29.614 -4.466 6.126 1.00 0.00 C ATOM 669 NZ LYS A 43 -31.015 -4.314 6.610 1.00 0.00 N ATOM 0 H LYS A 43 -29.348 -4.098 0.499 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.822 -4.982 2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.562 -5.120 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -30.111 -6.504 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.763 -3.666 3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -31.303 -4.493 3.795 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -30.380 -6.244 5.163 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -28.733 -5.847 4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -28.969 -4.875 6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -29.191 -3.505 5.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -31.231 -3.305 6.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -31.669 -4.725 5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -31.124 -4.807 7.519 1.00 0.00 H new ATOM 683 N LYS A 44 -28.022 -6.701 0.162 1.00 0.00 N ATOM 684 CA LYS A 44 -27.494 -7.934 -0.497 1.00 0.00 C ATOM 685 C LYS A 44 -26.018 -7.763 -0.866 1.00 0.00 C ATOM 686 O LYS A 44 -25.238 -8.692 -0.768 1.00 0.00 O ATOM 687 CB LYS A 44 -28.343 -8.103 -1.756 1.00 0.00 C ATOM 688 CG LYS A 44 -28.293 -9.563 -2.210 1.00 0.00 C ATOM 689 CD LYS A 44 -28.987 -10.445 -1.172 1.00 0.00 C ATOM 690 CE LYS A 44 -29.541 -11.698 -1.855 1.00 0.00 C ATOM 691 NZ LYS A 44 -30.870 -11.290 -2.386 1.00 0.00 N ATOM 0 H LYS A 44 -28.490 -6.045 -0.463 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.552 -8.803 0.159 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -29.373 -7.808 -1.556 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.973 -7.452 -2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -28.781 -9.670 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -27.258 -9.880 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -28.283 -10.726 -0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -29.795 -9.893 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -28.883 -12.035 -2.655 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -29.634 -12.524 -1.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -31.162 -11.949 -3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -31.571 -11.307 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -30.808 -10.328 -2.776 1.00 0.00 H new ATOM 705 N CYS A 45 -25.628 -6.586 -1.293 1.00 0.00 N ATOM 706 CA CYS A 45 -24.196 -6.360 -1.673 1.00 0.00 C ATOM 707 C CYS A 45 -23.276 -6.652 -0.480 1.00 0.00 C ATOM 708 O CYS A 45 -22.144 -7.064 -0.643 1.00 0.00 O ATOM 709 CB CYS A 45 -24.109 -4.884 -2.091 1.00 0.00 C ATOM 710 SG CYS A 45 -24.584 -3.809 -0.710 1.00 0.00 S ATOM 0 H CYS A 45 -26.237 -5.774 -1.395 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.877 -7.019 -2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -23.094 -4.649 -2.411 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -24.762 -4.702 -2.944 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.359 -4.464 0.103 1.00 0.00 H new ATOM 716 N SER A 46 -23.764 -6.441 0.718 1.00 0.00 N ATOM 717 CA SER A 46 -22.927 -6.706 1.929 1.00 0.00 C ATOM 718 C SER A 46 -22.709 -8.212 2.094 1.00 0.00 C ATOM 719 O SER A 46 -21.630 -8.657 2.439 1.00 0.00 O ATOM 720 CB SER A 46 -23.730 -6.148 3.104 1.00 0.00 C ATOM 721 OG SER A 46 -24.971 -6.835 3.194 1.00 0.00 O ATOM 0 H SER A 46 -24.705 -6.097 0.909 1.00 0.00 H new ATOM 0 HA SER A 46 -21.942 -6.244 1.859 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.169 -6.265 4.031 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.901 -5.080 2.968 1.00 0.00 H new ATOM 0 HG SER A 46 -25.614 -6.431 2.574 1.00 0.00 H new ATOM 727 N GLU A 47 -23.727 -8.999 1.846 1.00 0.00 N ATOM 728 CA GLU A 47 -23.585 -10.481 1.983 1.00 0.00 C ATOM 729 C GLU A 47 -22.569 -11.001 0.963 1.00 0.00 C ATOM 730 O GLU A 47 -21.858 -11.956 1.215 1.00 0.00 O ATOM 731 CB GLU A 47 -24.975 -11.049 1.694 1.00 0.00 C ATOM 732 CG GLU A 47 -25.810 -11.031 2.977 1.00 0.00 C ATOM 733 CD GLU A 47 -25.363 -12.169 3.895 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.364 -11.999 4.574 1.00 0.00 O ATOM 735 OE2 GLU A 47 -26.027 -13.193 3.903 1.00 0.00 O ATOM 0 H GLU A 47 -24.650 -8.678 1.554 1.00 0.00 H new ATOM 0 HA GLU A 47 -23.230 -10.773 2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -25.466 -10.460 0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.892 -12.068 1.316 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.694 -10.074 3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.868 -11.138 2.736 1.00 0.00 H new ATOM 742 N ARG A 48 -22.498 -10.378 -0.185 1.00 0.00 N ATOM 743 CA ARG A 48 -21.529 -10.824 -1.229 1.00 0.00 C ATOM 744 C ARG A 48 -20.151 -10.217 -0.959 1.00 0.00 C ATOM 745 O ARG A 48 -19.135 -10.867 -1.121 1.00 0.00 O ATOM 746 CB ARG A 48 -22.098 -10.299 -2.549 1.00 0.00 C ATOM 747 CG ARG A 48 -23.288 -11.163 -2.973 1.00 0.00 C ATOM 748 CD ARG A 48 -22.777 -12.477 -3.569 1.00 0.00 C ATOM 749 NE ARG A 48 -23.999 -13.181 -4.048 1.00 0.00 N ATOM 750 CZ ARG A 48 -24.114 -14.472 -3.885 1.00 0.00 C ATOM 751 NH1 ARG A 48 -24.226 -14.971 -2.685 1.00 0.00 N ATOM 752 NH2 ARG A 48 -24.115 -15.261 -4.925 1.00 0.00 N ATOM 0 H ARG A 48 -23.072 -9.576 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 48 -21.404 -11.907 -1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.411 -9.261 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.329 -10.317 -3.321 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -23.929 -11.365 -2.115 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -23.895 -10.631 -3.705 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.080 -12.295 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -22.246 -13.069 -2.823 1.00 0.00 H new ATOM 0 HE ARG A 48 -24.745 -12.655 -4.503 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -24.224 -14.353 -1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -24.316 -15.979 -2.558 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -24.026 -14.869 -5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -24.205 -16.269 -4.800 1.00 0.00 H new ATOM 766 N TRP A 49 -20.113 -8.976 -0.545 1.00 0.00 N ATOM 767 CA TRP A 49 -18.802 -8.317 -0.256 1.00 0.00 C ATOM 768 C TRP A 49 -18.171 -8.935 0.995 1.00 0.00 C ATOM 769 O TRP A 49 -16.968 -9.095 1.078 1.00 0.00 O ATOM 770 CB TRP A 49 -19.135 -6.842 -0.016 1.00 0.00 C ATOM 771 CG TRP A 49 -17.870 -6.069 0.178 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.496 -5.468 1.330 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.809 -5.805 -0.785 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.273 -4.851 1.136 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.808 -5.031 -0.152 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.619 -6.159 -2.134 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.660 -4.622 -0.831 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.464 -5.749 -2.820 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.488 -4.982 -2.170 1.00 0.00 C ATOM 0 H TRP A 49 -20.934 -8.390 -0.394 1.00 0.00 H new ATOM 0 HA TRP A 49 -18.089 -8.442 -1.071 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.692 -6.442 -0.863 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.774 -6.741 0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.060 -5.469 2.251 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -15.776 -4.327 1.856 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -17.366 -6.749 -2.644 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -13.910 -4.032 -0.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -15.327 -6.027 -3.855 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.603 -4.669 -2.704 1.00 0.00 H new ATOM 790 N LYS A 50 -18.978 -9.285 1.964 1.00 0.00 N ATOM 791 CA LYS A 50 -18.434 -9.897 3.215 1.00 0.00 C ATOM 792 C LYS A 50 -17.952 -11.322 2.934 1.00 0.00 C ATOM 793 O LYS A 50 -17.040 -11.814 3.570 1.00 0.00 O ATOM 794 CB LYS A 50 -19.606 -9.910 4.198 1.00 0.00 C ATOM 795 CG LYS A 50 -19.754 -8.525 4.829 1.00 0.00 C ATOM 796 CD LYS A 50 -18.730 -8.363 5.953 1.00 0.00 C ATOM 797 CE LYS A 50 -19.197 -7.267 6.914 1.00 0.00 C ATOM 798 NZ LYS A 50 -18.526 -7.579 8.207 1.00 0.00 N ATOM 0 H LYS A 50 -19.992 -9.173 1.943 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.582 -9.343 3.610 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -20.525 -10.187 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -19.438 -10.659 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.606 -7.752 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -20.763 -8.399 5.221 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -18.610 -9.305 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -17.755 -8.106 5.538 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -18.916 -6.278 6.552 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.282 -7.271 7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.797 -6.871 8.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -18.818 -8.523 8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.494 -7.561 8.076 1.00 0.00 H new ATOM 812 N THR A 51 -18.560 -11.984 1.981 1.00 0.00 N ATOM 813 CA THR A 51 -18.146 -13.378 1.646 1.00 0.00 C ATOM 814 C THR A 51 -16.946 -13.360 0.693 1.00 0.00 C ATOM 815 O THR A 51 -16.149 -14.279 0.668 1.00 0.00 O ATOM 816 CB THR A 51 -19.363 -14.001 0.962 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.832 -13.125 -0.055 1.00 0.00 O ATOM 818 CG2 THR A 51 -20.470 -14.226 1.994 1.00 0.00 C ATOM 0 H THR A 51 -19.328 -11.616 1.420 1.00 0.00 H new ATOM 0 HA THR A 51 -17.842 -13.941 2.529 1.00 0.00 H new ATOM 0 HB THR A 51 -19.083 -14.957 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.599 -12.616 0.280 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.338 -14.670 1.506 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.109 -14.897 2.774 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.753 -13.272 2.438 1.00 0.00 H new ATOM 826 N MET A 52 -16.813 -12.317 -0.090 1.00 0.00 N ATOM 827 CA MET A 52 -15.664 -12.231 -1.046 1.00 0.00 C ATOM 828 C MET A 52 -14.336 -12.278 -0.285 1.00 0.00 C ATOM 829 O MET A 52 -14.235 -11.803 0.831 1.00 0.00 O ATOM 830 CB MET A 52 -15.828 -10.883 -1.754 1.00 0.00 C ATOM 831 CG MET A 52 -16.903 -11.000 -2.837 1.00 0.00 C ATOM 832 SD MET A 52 -16.137 -11.498 -4.399 1.00 0.00 S ATOM 833 CE MET A 52 -15.772 -9.835 -5.012 1.00 0.00 C ATOM 0 H MET A 52 -17.451 -11.521 -0.109 1.00 0.00 H new ATOM 0 HA MET A 52 -15.656 -13.062 -1.752 1.00 0.00 H new ATOM 0 HB2 MET A 52 -16.105 -10.114 -1.033 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.881 -10.577 -2.199 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.655 -11.731 -2.540 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.416 -10.046 -2.959 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.418 -9.896 -6.041 1.00 0.00 H new ATOM 0 HE2 MET A 52 -16.676 -9.227 -4.974 1.00 0.00 H new ATOM 0 HE3 MET A 52 -15.002 -9.379 -4.390 1.00 0.00 H new ATOM 843 N SER A 53 -13.321 -12.849 -0.882 1.00 0.00 N ATOM 844 CA SER A 53 -11.996 -12.934 -0.199 1.00 0.00 C ATOM 845 C SER A 53 -11.060 -11.838 -0.717 1.00 0.00 C ATOM 846 O SER A 53 -11.440 -11.020 -1.533 1.00 0.00 O ATOM 847 CB SER A 53 -11.452 -14.316 -0.561 1.00 0.00 C ATOM 848 OG SER A 53 -12.274 -15.313 0.032 1.00 0.00 O ATOM 0 H SER A 53 -13.353 -13.261 -1.815 1.00 0.00 H new ATOM 0 HA SER A 53 -12.079 -12.797 0.879 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.433 -14.440 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.425 -14.419 -0.210 1.00 0.00 H new ATOM 0 HG SER A 53 -11.930 -16.201 -0.199 1.00 0.00 H new ATOM 854 N ALA A 54 -9.840 -11.819 -0.244 1.00 0.00 N ATOM 855 CA ALA A 54 -8.867 -10.779 -0.702 1.00 0.00 C ATOM 856 C ALA A 54 -8.487 -11.004 -2.170 1.00 0.00 C ATOM 857 O ALA A 54 -8.060 -10.090 -2.851 1.00 0.00 O ATOM 858 CB ALA A 54 -7.641 -10.950 0.199 1.00 0.00 C ATOM 0 H ALA A 54 -9.474 -12.480 0.441 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.286 -9.775 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.881 -10.219 -0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.930 -10.797 1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.238 -11.956 0.078 1.00 0.00 H new ATOM 864 N LYS A 55 -8.640 -12.210 -2.662 1.00 0.00 N ATOM 865 CA LYS A 55 -8.288 -12.490 -4.089 1.00 0.00 C ATOM 866 C LYS A 55 -9.281 -11.789 -5.018 1.00 0.00 C ATOM 867 O LYS A 55 -8.946 -11.403 -6.122 1.00 0.00 O ATOM 868 CB LYS A 55 -8.392 -14.009 -4.240 1.00 0.00 C ATOM 869 CG LYS A 55 -7.161 -14.670 -3.616 1.00 0.00 C ATOM 870 CD LYS A 55 -6.966 -16.062 -4.222 1.00 0.00 C ATOM 871 CE LYS A 55 -6.353 -15.930 -5.618 1.00 0.00 C ATOM 872 NZ LYS A 55 -6.627 -17.235 -6.282 1.00 0.00 N ATOM 0 H LYS A 55 -8.993 -13.011 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.293 -12.127 -4.348 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.298 -14.372 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.466 -14.276 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.277 -14.057 -3.793 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.284 -14.746 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.317 -16.661 -3.583 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -7.922 -16.582 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.802 -15.104 -6.170 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -5.283 -15.732 -5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.236 -17.223 -7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.182 -18.002 -5.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.654 -17.393 -6.327 1.00 0.00 H new ATOM 886 N GLU A 56 -10.499 -11.625 -4.573 1.00 0.00 N ATOM 887 CA GLU A 56 -11.528 -10.949 -5.416 1.00 0.00 C ATOM 888 C GLU A 56 -11.676 -9.488 -4.988 1.00 0.00 C ATOM 889 O GLU A 56 -11.774 -8.597 -5.811 1.00 0.00 O ATOM 890 CB GLU A 56 -12.818 -11.722 -5.151 1.00 0.00 C ATOM 891 CG GLU A 56 -12.817 -13.010 -5.974 1.00 0.00 C ATOM 892 CD GLU A 56 -14.234 -13.584 -6.028 1.00 0.00 C ATOM 893 OE1 GLU A 56 -14.651 -14.176 -5.045 1.00 0.00 O ATOM 894 OE2 GLU A 56 -14.878 -13.424 -7.052 1.00 0.00 O ATOM 0 H GLU A 56 -10.827 -11.932 -3.657 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.266 -10.945 -6.474 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.903 -11.956 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.682 -11.111 -5.413 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.456 -12.809 -6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.136 -13.736 -5.531 1.00 0.00 H new ATOM 901 N LYS A 57 -11.689 -9.241 -3.704 1.00 0.00 N ATOM 902 CA LYS A 57 -11.825 -7.836 -3.207 1.00 0.00 C ATOM 903 C LYS A 57 -10.624 -6.992 -3.651 1.00 0.00 C ATOM 904 O LYS A 57 -10.704 -5.780 -3.716 1.00 0.00 O ATOM 905 CB LYS A 57 -11.863 -7.952 -1.681 1.00 0.00 C ATOM 906 CG LYS A 57 -13.305 -8.169 -1.220 1.00 0.00 C ATOM 907 CD LYS A 57 -13.435 -7.779 0.254 1.00 0.00 C ATOM 908 CE LYS A 57 -12.706 -8.808 1.121 1.00 0.00 C ATOM 909 NZ LYS A 57 -12.363 -8.080 2.375 1.00 0.00 N ATOM 0 H LYS A 57 -11.611 -9.951 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.717 -7.348 -3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.237 -8.782 -1.353 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -11.457 -7.048 -1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.986 -7.571 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.589 -9.212 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.014 -6.787 0.417 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -14.487 -7.729 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -13.339 -9.671 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.811 -9.181 0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.860 -8.721 3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.754 -7.268 2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -13.235 -7.743 2.830 1.00 0.00 H new ATOM 923 N SER A 58 -9.514 -7.623 -3.952 1.00 0.00 N ATOM 924 CA SER A 58 -8.307 -6.855 -4.389 1.00 0.00 C ATOM 925 C SER A 58 -8.608 -6.076 -5.673 1.00 0.00 C ATOM 926 O SER A 58 -8.043 -5.026 -5.917 1.00 0.00 O ATOM 927 CB SER A 58 -7.228 -7.908 -4.645 1.00 0.00 C ATOM 928 OG SER A 58 -7.746 -8.911 -5.509 1.00 0.00 O ATOM 0 H SER A 58 -9.393 -8.635 -3.914 1.00 0.00 H new ATOM 0 HA SER A 58 -7.994 -6.127 -3.640 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.350 -7.444 -5.093 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.907 -8.353 -3.703 1.00 0.00 H new ATOM 0 HG SER A 58 -7.056 -9.587 -5.676 1.00 0.00 H new ATOM 934 N LYS A 59 -9.492 -6.585 -6.493 1.00 0.00 N ATOM 935 CA LYS A 59 -9.834 -5.879 -7.767 1.00 0.00 C ATOM 936 C LYS A 59 -10.526 -4.547 -7.463 1.00 0.00 C ATOM 937 O LYS A 59 -10.428 -3.601 -8.222 1.00 0.00 O ATOM 938 CB LYS A 59 -10.785 -6.819 -8.509 1.00 0.00 C ATOM 939 CG LYS A 59 -10.906 -6.373 -9.968 1.00 0.00 C ATOM 940 CD LYS A 59 -11.534 -7.498 -10.795 1.00 0.00 C ATOM 941 CE LYS A 59 -13.054 -7.475 -10.620 1.00 0.00 C ATOM 942 NZ LYS A 59 -13.573 -8.426 -11.642 1.00 0.00 N ATOM 0 H LYS A 59 -9.993 -7.460 -6.336 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.948 -5.652 -8.359 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.414 -7.843 -8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.765 -6.812 -8.033 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.517 -5.473 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.923 -6.121 -10.365 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.277 -7.377 -11.847 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -11.136 -8.462 -10.478 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.340 -7.782 -9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.454 -6.473 -10.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.611 -8.465 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.291 -8.105 -12.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.181 -9.373 -11.466 1.00 0.00 H new ATOM 956 N PHE A 60 -11.224 -4.470 -6.358 1.00 0.00 N ATOM 957 CA PHE A 60 -11.927 -3.202 -5.998 1.00 0.00 C ATOM 958 C PHE A 60 -11.029 -2.332 -5.114 1.00 0.00 C ATOM 959 O PHE A 60 -11.131 -1.118 -5.118 1.00 0.00 O ATOM 960 CB PHE A 60 -13.170 -3.646 -5.226 1.00 0.00 C ATOM 961 CG PHE A 60 -14.231 -4.103 -6.199 1.00 0.00 C ATOM 962 CD1 PHE A 60 -14.215 -5.414 -6.686 1.00 0.00 C ATOM 963 CD2 PHE A 60 -15.229 -3.214 -6.614 1.00 0.00 C ATOM 964 CE1 PHE A 60 -15.198 -5.839 -7.589 1.00 0.00 C ATOM 965 CE2 PHE A 60 -16.213 -3.638 -7.517 1.00 0.00 C ATOM 966 CZ PHE A 60 -16.197 -4.950 -8.004 1.00 0.00 C ATOM 0 H PHE A 60 -11.337 -5.232 -5.689 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.182 -2.607 -6.875 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.916 -4.456 -4.542 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.548 -2.823 -4.620 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.444 -6.099 -6.366 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.241 -2.201 -6.238 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -15.185 -6.851 -7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.984 -2.952 -7.837 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.955 -5.277 -8.700 1.00 0.00 H new ATOM 976 N GLU A 61 -10.151 -2.943 -4.359 1.00 0.00 N ATOM 977 CA GLU A 61 -9.241 -2.155 -3.471 1.00 0.00 C ATOM 978 C GLU A 61 -8.188 -1.425 -4.309 1.00 0.00 C ATOM 979 O GLU A 61 -7.709 -0.371 -3.936 1.00 0.00 O ATOM 980 CB GLU A 61 -8.576 -3.188 -2.559 1.00 0.00 C ATOM 981 CG GLU A 61 -7.969 -2.482 -1.345 1.00 0.00 C ATOM 982 CD GLU A 61 -7.168 -3.488 -0.516 1.00 0.00 C ATOM 983 OE1 GLU A 61 -7.785 -4.275 0.182 1.00 0.00 O ATOM 984 OE2 GLU A 61 -5.951 -3.453 -0.594 1.00 0.00 O ATOM 0 H GLU A 61 -10.025 -3.954 -4.319 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.778 -1.397 -2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.308 -3.927 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.801 -3.726 -3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.323 -1.667 -1.671 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.758 -2.040 -0.736 1.00 0.00 H new ATOM 991 N ASP A 62 -7.830 -1.980 -5.438 1.00 0.00 N ATOM 992 CA ASP A 62 -6.807 -1.325 -6.310 1.00 0.00 C ATOM 993 C ASP A 62 -7.441 -0.175 -7.099 1.00 0.00 C ATOM 994 O ASP A 62 -6.779 0.781 -7.456 1.00 0.00 O ATOM 995 CB ASP A 62 -6.328 -2.425 -7.260 1.00 0.00 C ATOM 996 CG ASP A 62 -4.992 -2.016 -7.882 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.020 -1.933 -7.148 1.00 0.00 O ATOM 998 OD2 ASP A 62 -4.962 -1.793 -9.081 1.00 0.00 O ATOM 0 H ASP A 62 -8.202 -2.860 -5.795 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.986 -0.900 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.217 -3.365 -6.719 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.069 -2.593 -8.042 1.00 0.00 H new ATOM 1003 N MET A 63 -8.719 -0.263 -7.370 1.00 0.00 N ATOM 1004 CA MET A 63 -9.404 0.823 -8.136 1.00 0.00 C ATOM 1005 C MET A 63 -9.688 2.017 -7.222 1.00 0.00 C ATOM 1006 O MET A 63 -9.744 3.149 -7.667 1.00 0.00 O ATOM 1007 CB MET A 63 -10.712 0.201 -8.628 1.00 0.00 C ATOM 1008 CG MET A 63 -10.414 -0.794 -9.750 1.00 0.00 C ATOM 1009 SD MET A 63 -11.960 -1.549 -10.314 1.00 0.00 S ATOM 1010 CE MET A 63 -12.663 -0.074 -11.092 1.00 0.00 C ATOM 0 H MET A 63 -9.318 -1.041 -7.094 1.00 0.00 H new ATOM 0 HA MET A 63 -8.794 1.192 -8.961 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.219 -0.303 -7.805 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.385 0.980 -8.987 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.921 -0.286 -10.579 1.00 0.00 H new ATOM 0 HG3 MET A 63 -9.729 -1.564 -9.395 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.330 -0.372 -11.901 1.00 0.00 H new ATOM 0 HE2 MET A 63 -13.224 0.496 -10.351 1.00 0.00 H new ATOM 0 HE3 MET A 63 -11.860 0.544 -11.493 1.00 0.00 H new ATOM 1020 N ALA A 64 -9.866 1.773 -5.948 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.146 2.890 -4.997 1.00 0.00 C ATOM 1022 C ALA A 64 -8.844 3.600 -4.617 1.00 0.00 C ATOM 1023 O ALA A 64 -8.835 4.780 -4.318 1.00 0.00 O ATOM 1024 CB ALA A 64 -10.770 2.222 -3.770 1.00 0.00 C ATOM 0 H ALA A 64 -9.829 0.846 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.805 3.643 -5.429 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.005 2.980 -3.023 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.684 1.705 -4.062 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.066 1.504 -3.349 1.00 0.00 H new ATOM 1030 N LYS A 65 -7.746 2.888 -4.629 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.436 3.514 -4.271 1.00 0.00 C ATOM 1032 C LYS A 65 -5.913 4.352 -5.441 1.00 0.00 C ATOM 1033 O LYS A 65 -5.208 5.324 -5.251 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.497 2.341 -3.987 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.222 2.858 -3.316 1.00 0.00 C ATOM 1036 CD LYS A 65 -4.431 2.918 -1.802 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.074 3.024 -1.102 1.00 0.00 C ATOM 1038 NZ LYS A 65 -3.304 2.480 0.265 1.00 0.00 N ATOM 0 H LYS A 65 -7.700 1.898 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.519 4.183 -3.414 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.991 1.614 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.249 1.827 -4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.383 2.204 -3.552 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.972 3.848 -3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.053 3.775 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.959 2.027 -1.462 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.311 2.453 -1.631 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.729 4.057 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.418 2.519 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.030 3.047 0.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.625 1.493 0.196 1.00 0.00 H new ATOM 1052 N SER A 66 -6.256 3.978 -6.648 1.00 0.00 N ATOM 1053 CA SER A 66 -5.782 4.751 -7.838 1.00 0.00 C ATOM 1054 C SER A 66 -6.351 6.172 -7.804 1.00 0.00 C ATOM 1055 O SER A 66 -5.697 7.120 -8.194 1.00 0.00 O ATOM 1056 CB SER A 66 -6.314 3.989 -9.053 1.00 0.00 C ATOM 1057 OG SER A 66 -5.816 4.592 -10.240 1.00 0.00 O ATOM 0 H SER A 66 -6.843 3.172 -6.861 1.00 0.00 H new ATOM 0 HA SER A 66 -4.696 4.842 -7.862 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.006 2.944 -9.005 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.404 4.000 -9.055 1.00 0.00 H new ATOM 0 HG SER A 66 -6.154 4.105 -11.021 1.00 0.00 H new ATOM 1063 N ASP A 67 -7.566 6.321 -7.340 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.188 7.677 -7.275 1.00 0.00 C ATOM 1065 C ASP A 67 -7.723 8.411 -6.014 1.00 0.00 C ATOM 1066 O ASP A 67 -7.519 9.611 -6.023 1.00 0.00 O ATOM 1067 CB ASP A 67 -9.694 7.422 -7.223 1.00 0.00 C ATOM 1068 CG ASP A 67 -10.441 8.663 -7.719 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -10.150 9.740 -7.226 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.289 8.513 -8.583 1.00 0.00 O ATOM 0 H ASP A 67 -8.155 5.560 -7.003 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.911 8.300 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -9.949 6.560 -7.840 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -9.998 7.185 -6.204 1.00 0.00 H new ATOM 1075 N LYS A 68 -7.555 7.695 -4.931 1.00 0.00 N ATOM 1076 CA LYS A 68 -7.102 8.342 -3.661 1.00 0.00 C ATOM 1077 C LYS A 68 -5.668 8.857 -3.813 1.00 0.00 C ATOM 1078 O LYS A 68 -5.281 9.830 -3.193 1.00 0.00 O ATOM 1079 CB LYS A 68 -7.165 7.238 -2.601 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.668 7.824 -1.280 1.00 0.00 C ATOM 1081 CD LYS A 68 -6.499 8.454 -0.520 1.00 0.00 C ATOM 1082 CE LYS A 68 -7.031 9.221 0.692 1.00 0.00 C ATOM 1083 NZ LYS A 68 -5.899 10.086 1.127 1.00 0.00 N ATOM 0 H LYS A 68 -7.712 6.689 -4.871 1.00 0.00 H new ATOM 0 HA LYS A 68 -7.722 9.197 -3.393 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.828 6.439 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.178 6.796 -2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.436 8.573 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.129 7.042 -0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.803 7.680 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.946 9.127 -1.175 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.905 9.817 0.430 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.336 8.541 1.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.187 10.644 1.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.084 9.491 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.635 10.728 0.352 1.00 0.00 H new ATOM 1097 N ALA A 69 -4.880 8.209 -4.633 1.00 0.00 N ATOM 1098 CA ALA A 69 -3.468 8.653 -4.832 1.00 0.00 C ATOM 1099 C ALA A 69 -3.391 9.690 -5.955 1.00 0.00 C ATOM 1100 O ALA A 69 -2.536 10.556 -5.954 1.00 0.00 O ATOM 1101 CB ALA A 69 -2.706 7.385 -5.219 1.00 0.00 C ATOM 0 H ALA A 69 -5.155 7.389 -5.174 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.053 9.122 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.656 7.627 -5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.788 6.652 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.130 6.971 -6.134 1.00 0.00 H new ATOM 1107 N ARG A 70 -4.278 9.605 -6.915 1.00 0.00 N ATOM 1108 CA ARG A 70 -4.263 10.586 -8.044 1.00 0.00 C ATOM 1109 C ARG A 70 -4.875 11.915 -7.598 1.00 0.00 C ATOM 1110 O ARG A 70 -4.525 12.968 -8.097 1.00 0.00 O ATOM 1111 CB ARG A 70 -5.115 9.945 -9.142 1.00 0.00 C ATOM 1112 CG ARG A 70 -4.897 10.690 -10.459 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.200 9.755 -11.632 1.00 0.00 C ATOM 1114 NE ARG A 70 -3.982 8.911 -11.774 1.00 0.00 N ATOM 1115 CZ ARG A 70 -3.370 8.838 -12.925 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -2.940 9.925 -13.505 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -3.186 7.678 -13.493 1.00 0.00 N ATOM 0 H ARG A 70 -5.012 8.899 -6.966 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.251 10.801 -8.388 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.847 8.895 -9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.169 9.977 -8.864 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.542 11.567 -10.504 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.869 11.047 -10.521 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.082 9.146 -11.434 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.399 10.317 -12.544 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.626 8.390 -10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.082 10.831 -13.059 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.462 9.868 -14.404 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.520 6.829 -13.038 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.708 7.621 -14.392 1.00 0.00 H new ATOM 1131 N TYR A 71 -5.787 11.873 -6.660 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.430 13.133 -6.173 1.00 0.00 C ATOM 1133 C TYR A 71 -5.381 14.056 -5.544 1.00 0.00 C ATOM 1134 O TYR A 71 -5.541 15.262 -5.520 1.00 0.00 O ATOM 1135 CB TYR A 71 -7.450 12.687 -5.123 1.00 0.00 C ATOM 1136 CG TYR A 71 -8.392 13.827 -4.820 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -8.030 14.805 -3.886 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -9.628 13.907 -5.473 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -8.904 15.862 -3.604 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -10.501 14.963 -5.191 1.00 0.00 C ATOM 1141 CZ TYR A 71 -10.140 15.941 -4.257 1.00 0.00 C ATOM 1142 OH TYR A 71 -11.001 16.983 -3.980 1.00 0.00 O ATOM 0 H TYR A 71 -6.115 11.019 -6.209 1.00 0.00 H new ATOM 0 HA TYR A 71 -6.900 13.691 -6.983 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.010 11.826 -5.487 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.938 12.373 -4.214 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.076 14.744 -3.383 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -9.907 13.153 -6.194 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -8.625 16.616 -2.883 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -11.455 15.024 -5.694 1.00 0.00 H new ATOM 0 HH TYR A 71 -11.814 16.888 -4.520 1.00 0.00 H new