USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 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 Single : A 15 SER OG : rot 161:sc= 0.751 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0459 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -2.47! K(o=-2.5!,f=-1.9) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.075 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0957 X(o=-0.096,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 103:sc= 0.438 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0198 K(o=-0.02,f=-1.4!) USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= 0.0639 (180deg=-0.0654) USER MOD Single : A 52 SER OG : rot 28:sc= 0.112 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= -1.4 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -2.81! C(o=-2.8!,f=-2.4!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 178:sc= -1.75! USER MOD Single : A 74 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.067) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -1.884 15.662 4.282 1.00 0.00 N ATOM 163 CA SER A 15 -1.183 14.677 5.097 1.00 0.00 C ATOM 164 C SER A 15 -0.346 13.746 4.225 1.00 0.00 C ATOM 165 O SER A 15 -0.856 13.123 3.294 1.00 0.00 O ATOM 166 CB SER A 15 -2.182 13.861 5.920 1.00 0.00 C ATOM 167 OG SER A 15 -1.519 13.079 6.898 1.00 0.00 O ATOM 0 HA SER A 15 -0.515 15.211 5.773 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.891 14.531 6.406 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.757 13.212 5.260 1.00 0.00 H new ATOM 0 HG SER A 15 -2.159 12.809 7.590 1.00 0.00 H new ATOM 173 N LYS A 16 0.944 13.658 4.533 1.00 0.00 N ATOM 174 CA LYS A 16 1.854 12.804 3.779 1.00 0.00 C ATOM 175 C LYS A 16 1.754 11.355 4.247 1.00 0.00 C ATOM 176 O LYS A 16 2.268 10.445 3.597 1.00 0.00 O ATOM 177 CB LYS A 16 3.294 13.301 3.928 1.00 0.00 C ATOM 178 CG LYS A 16 4.025 12.698 5.115 1.00 0.00 C ATOM 179 CD LYS A 16 3.337 13.040 6.426 1.00 0.00 C ATOM 180 CE LYS A 16 3.588 14.485 6.827 1.00 0.00 C ATOM 181 NZ LYS A 16 2.492 15.022 7.681 1.00 0.00 N ATOM 0 H LYS A 16 1.383 14.168 5.300 1.00 0.00 H new ATOM 0 HA LYS A 16 1.568 12.849 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.845 13.070 3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.286 14.386 4.030 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.075 11.615 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.052 13.064 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.265 12.869 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.697 12.376 7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.534 14.554 7.364 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.685 15.099 5.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.700 16.009 7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.593 14.980 7.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.416 14.452 8.548 1.00 0.00 H new ATOM 195 N THR A 17 1.087 11.148 5.378 1.00 0.00 N ATOM 196 CA THR A 17 0.919 9.811 5.933 1.00 0.00 C ATOM 197 C THR A 17 -0.448 9.236 5.578 1.00 0.00 C ATOM 198 O THR A 17 -1.482 9.824 5.898 1.00 0.00 O ATOM 199 CB THR A 17 1.080 9.814 7.465 1.00 0.00 C ATOM 200 OG1 THR A 17 2.353 10.362 7.823 1.00 0.00 O ATOM 201 CG2 THR A 17 0.953 8.405 8.025 1.00 0.00 C ATOM 0 H THR A 17 0.654 11.890 5.928 1.00 0.00 H new ATOM 0 HA THR A 17 1.698 9.187 5.495 1.00 0.00 H new ATOM 0 HB THR A 17 0.288 10.430 7.890 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.447 10.362 8.799 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.070 8.432 9.108 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.029 8.002 7.776 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.726 7.770 7.592 1.00 0.00 H new ATOM 209 N LEU A 18 -0.446 8.085 4.916 1.00 0.00 N ATOM 210 CA LEU A 18 -1.686 7.429 4.518 1.00 0.00 C ATOM 211 C LEU A 18 -2.032 6.291 5.473 1.00 0.00 C ATOM 212 O LEU A 18 -1.157 5.538 5.900 1.00 0.00 O ATOM 213 CB LEU A 18 -1.568 6.893 3.090 1.00 0.00 C ATOM 214 CG LEU A 18 -0.948 7.844 2.065 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.762 7.142 0.729 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.812 9.087 1.901 1.00 0.00 C ATOM 0 H LEU A 18 0.401 7.586 4.643 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.487 8.168 4.557 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.974 5.979 3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.564 6.617 2.744 1.00 0.00 H new ATOM 0 HG LEU A 18 0.032 8.152 2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.320 7.834 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.103 6.283 0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.730 6.804 0.358 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.356 9.753 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.806 8.797 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.894 9.602 2.858 1.00 0.00 H new ATOM 228 N VAL A 19 -3.314 6.171 5.803 1.00 0.00 N ATOM 229 CA VAL A 19 -3.777 5.123 6.705 1.00 0.00 C ATOM 230 C VAL A 19 -4.409 3.971 5.931 1.00 0.00 C ATOM 231 O VAL A 19 -5.488 4.114 5.354 1.00 0.00 O ATOM 232 CB VAL A 19 -4.799 5.667 7.720 1.00 0.00 C ATOM 233 CG1 VAL A 19 -5.139 4.606 8.756 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.267 6.925 8.389 1.00 0.00 C ATOM 0 H VAL A 19 -4.051 6.787 5.459 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.901 4.759 7.242 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.713 5.926 7.186 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.863 5.008 9.465 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.565 3.735 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.234 4.314 9.288 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.002 7.296 9.103 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.338 6.695 8.911 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.079 7.687 7.633 1.00 0.00 H new ATOM 244 N LEU A 20 -3.731 2.829 5.922 1.00 0.00 N ATOM 245 CA LEU A 20 -4.226 1.650 5.219 1.00 0.00 C ATOM 246 C LEU A 20 -5.057 0.771 6.149 1.00 0.00 C ATOM 247 O LEU A 20 -4.689 0.549 7.302 1.00 0.00 O ATOM 248 CB LEU A 20 -3.058 0.846 4.646 1.00 0.00 C ATOM 249 CG LEU A 20 -3.424 -0.244 3.638 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.195 -0.686 2.859 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.065 -1.430 4.344 1.00 0.00 C ATOM 0 H LEU A 20 -2.837 2.694 6.394 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.863 1.985 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.367 1.539 4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.522 0.382 5.474 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.146 0.168 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.475 -1.462 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.779 0.166 2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.449 -1.080 3.549 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.319 -2.196 3.611 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.366 -1.842 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.970 -1.103 4.856 1.00 0.00 H new ATOM 263 N SER A 21 -6.178 0.273 5.637 1.00 0.00 N ATOM 264 CA SER A 21 -7.062 -0.581 6.422 1.00 0.00 C ATOM 265 C SER A 21 -7.486 -1.808 5.619 1.00 0.00 C ATOM 266 O SER A 21 -7.409 -1.816 4.392 1.00 0.00 O ATOM 267 CB SER A 21 -8.298 0.202 6.868 1.00 0.00 C ATOM 268 OG SER A 21 -8.787 -0.279 8.108 1.00 0.00 O ATOM 0 H SER A 21 -6.495 0.446 4.683 1.00 0.00 H new ATOM 0 HA SER A 21 -6.515 -0.916 7.303 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.050 1.260 6.957 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.077 0.120 6.110 1.00 0.00 H new ATOM 0 HG SER A 21 -9.576 0.239 8.372 1.00 0.00 H new ATOM 274 N ASN A 22 -7.933 -2.842 6.324 1.00 0.00 N ATOM 275 CA ASN A 22 -8.368 -4.075 5.678 1.00 0.00 C ATOM 276 C ASN A 22 -7.175 -4.854 5.132 1.00 0.00 C ATOM 277 O ASN A 22 -7.283 -5.547 4.119 1.00 0.00 O ATOM 278 CB ASN A 22 -9.349 -3.764 4.546 1.00 0.00 C ATOM 279 CG ASN A 22 -10.222 -4.953 4.193 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.336 -5.091 4.698 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.717 -5.819 3.323 1.00 0.00 N ATOM 0 H ASN A 22 -8.003 -2.851 7.342 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.869 -4.690 6.426 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.982 -2.926 4.838 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.792 -3.451 3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.257 -6.639 3.048 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.789 -5.664 2.930 1.00 0.00 H new ATOM 288 N LEU A 23 -6.039 -4.737 5.810 1.00 0.00 N ATOM 289 CA LEU A 23 -4.825 -5.430 5.394 1.00 0.00 C ATOM 290 C LEU A 23 -4.878 -6.904 5.786 1.00 0.00 C ATOM 291 O LEU A 23 -5.380 -7.255 6.853 1.00 0.00 O ATOM 292 CB LEU A 23 -3.596 -4.769 6.020 1.00 0.00 C ATOM 293 CG LEU A 23 -2.302 -4.855 5.211 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.234 -3.955 5.814 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.812 -6.294 5.141 1.00 0.00 C ATOM 0 H LEU A 23 -5.933 -4.169 6.650 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.752 -5.363 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.823 -3.717 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.422 -5.223 6.996 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.507 -4.512 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.320 -4.030 5.225 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.584 -2.923 5.812 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.031 -4.267 6.839 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.890 -6.337 4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.624 -6.664 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.570 -6.914 4.662 1.00 0.00 H new ATOM 307 N SER A 24 -4.355 -7.761 4.915 1.00 0.00 N ATOM 308 CA SER A 24 -4.344 -9.197 5.169 1.00 0.00 C ATOM 309 C SER A 24 -3.045 -9.619 5.849 1.00 0.00 C ATOM 310 O SER A 24 -1.968 -9.126 5.514 1.00 0.00 O ATOM 311 CB SER A 24 -4.522 -9.969 3.860 1.00 0.00 C ATOM 312 OG SER A 24 -4.932 -11.303 4.107 1.00 0.00 O ATOM 0 H SER A 24 -3.934 -7.486 4.028 1.00 0.00 H new ATOM 0 HA SER A 24 -5.174 -9.429 5.836 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.262 -9.467 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.584 -9.970 3.304 1.00 0.00 H new ATOM 0 HG SER A 24 -5.041 -11.775 3.255 1.00 0.00 H new ATOM 318 N TYR A 25 -3.156 -10.534 6.805 1.00 0.00 N ATOM 319 CA TYR A 25 -1.991 -11.021 7.535 1.00 0.00 C ATOM 320 C TYR A 25 -0.905 -11.496 6.574 1.00 0.00 C ATOM 321 O TYR A 25 0.286 -11.331 6.835 1.00 0.00 O ATOM 322 CB TYR A 25 -2.391 -12.161 8.473 1.00 0.00 C ATOM 323 CG TYR A 25 -3.774 -12.002 9.065 1.00 0.00 C ATOM 324 CD1 TYR A 25 -4.009 -11.100 10.096 1.00 0.00 C ATOM 325 CD2 TYR A 25 -4.843 -12.753 8.594 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.270 -10.951 10.640 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.108 -12.609 9.131 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.316 -11.708 10.154 1.00 0.00 C ATOM 329 OH TYR A 25 -7.574 -11.563 10.693 1.00 0.00 O ATOM 0 H TYR A 25 -4.040 -10.954 7.093 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.593 -10.196 8.125 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.345 -13.103 7.926 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.664 -12.226 9.282 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.192 -10.506 10.478 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.683 -13.461 7.795 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.436 -10.246 11.441 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.929 -13.199 8.752 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.197 -12.168 10.238 1.00 0.00 H new ATOM 339 N SER A 26 -1.327 -12.086 5.460 1.00 0.00 N ATOM 340 CA SER A 26 -0.392 -12.589 4.460 1.00 0.00 C ATOM 341 C SER A 26 0.392 -11.444 3.826 1.00 0.00 C ATOM 342 O SER A 26 1.480 -11.645 3.287 1.00 0.00 O ATOM 343 CB SER A 26 -1.141 -13.370 3.378 1.00 0.00 C ATOM 344 OG SER A 26 -1.512 -14.656 3.843 1.00 0.00 O ATOM 0 H SER A 26 -2.310 -12.227 5.227 1.00 0.00 H new ATOM 0 HA SER A 26 0.311 -13.256 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.031 -12.818 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.512 -13.467 2.493 1.00 0.00 H new ATOM 0 HG SER A 26 -1.991 -15.135 3.134 1.00 0.00 H new ATOM 350 N ALA A 27 -0.169 -10.241 3.895 1.00 0.00 N ATOM 351 CA ALA A 27 0.477 -9.063 3.331 1.00 0.00 C ATOM 352 C ALA A 27 1.425 -8.421 4.338 1.00 0.00 C ATOM 353 O ALA A 27 1.082 -8.250 5.508 1.00 0.00 O ATOM 354 CB ALA A 27 -0.568 -8.057 2.871 1.00 0.00 C ATOM 0 H ALA A 27 -1.070 -10.057 4.336 1.00 0.00 H new ATOM 0 HA ALA A 27 1.065 -9.379 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.071 -7.182 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.202 -8.513 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.180 -7.754 3.720 1.00 0.00 H new ATOM 360 N THR A 28 2.621 -8.067 3.876 1.00 0.00 N ATOM 361 CA THR A 28 3.619 -7.446 4.737 1.00 0.00 C ATOM 362 C THR A 28 4.287 -6.266 4.041 1.00 0.00 C ATOM 363 O THR A 28 4.106 -6.057 2.842 1.00 0.00 O ATOM 364 CB THR A 28 4.701 -8.456 5.163 1.00 0.00 C ATOM 365 OG1 THR A 28 5.605 -8.692 4.078 1.00 0.00 O ATOM 366 CG2 THR A 28 4.072 -9.770 5.600 1.00 0.00 C ATOM 0 H THR A 28 2.921 -8.200 2.910 1.00 0.00 H new ATOM 0 HA THR A 28 3.094 -7.092 5.624 1.00 0.00 H new ATOM 0 HB THR A 28 5.248 -8.035 6.006 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.291 -9.334 4.357 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.855 -10.468 5.896 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.406 -9.592 6.445 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.503 -10.194 4.773 1.00 0.00 H new ATOM 374 N GLU A 29 5.061 -5.497 4.801 1.00 0.00 N ATOM 375 CA GLU A 29 5.756 -4.337 4.256 1.00 0.00 C ATOM 376 C GLU A 29 6.285 -4.629 2.854 1.00 0.00 C ATOM 377 O GLU A 29 6.329 -3.745 2.000 1.00 0.00 O ATOM 378 CB GLU A 29 6.910 -3.928 5.173 1.00 0.00 C ATOM 379 CG GLU A 29 6.501 -2.958 6.269 1.00 0.00 C ATOM 380 CD GLU A 29 7.432 -3.004 7.466 1.00 0.00 C ATOM 381 OE1 GLU A 29 8.646 -3.217 7.264 1.00 0.00 O ATOM 382 OE2 GLU A 29 6.946 -2.827 8.603 1.00 0.00 O ATOM 0 H GLU A 29 5.222 -5.657 5.795 1.00 0.00 H new ATOM 0 HA GLU A 29 5.043 -3.515 4.193 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.334 -4.822 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.697 -3.473 4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.484 -1.946 5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.486 -3.189 6.593 1.00 0.00 H new ATOM 389 N GLU A 30 6.687 -5.876 2.628 1.00 0.00 N ATOM 390 CA GLU A 30 7.215 -6.285 1.332 1.00 0.00 C ATOM 391 C GLU A 30 6.188 -6.049 0.228 1.00 0.00 C ATOM 392 O GLU A 30 6.492 -5.443 -0.800 1.00 0.00 O ATOM 393 CB GLU A 30 7.617 -7.761 1.362 1.00 0.00 C ATOM 394 CG GLU A 30 9.052 -7.991 1.806 1.00 0.00 C ATOM 395 CD GLU A 30 9.291 -9.406 2.297 1.00 0.00 C ATOM 396 OE1 GLU A 30 8.984 -9.686 3.475 1.00 0.00 O ATOM 397 OE2 GLU A 30 9.784 -10.234 1.502 1.00 0.00 O ATOM 0 H GLU A 30 6.657 -6.620 3.325 1.00 0.00 H new ATOM 0 HA GLU A 30 8.097 -5.680 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.947 -8.298 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.480 -8.187 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.724 -7.781 0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.300 -7.288 2.601 1.00 0.00 H new ATOM 404 N THR A 31 4.970 -6.534 0.447 1.00 0.00 N ATOM 405 CA THR A 31 3.898 -6.378 -0.528 1.00 0.00 C ATOM 406 C THR A 31 3.548 -4.908 -0.730 1.00 0.00 C ATOM 407 O THR A 31 3.300 -4.467 -1.853 1.00 0.00 O ATOM 408 CB THR A 31 2.631 -7.141 -0.098 1.00 0.00 C ATOM 409 OG1 THR A 31 2.964 -8.493 0.239 1.00 0.00 O ATOM 410 CG2 THR A 31 1.590 -7.131 -1.207 1.00 0.00 C ATOM 0 H THR A 31 4.701 -7.039 1.292 1.00 0.00 H new ATOM 0 HA THR A 31 4.263 -6.795 -1.467 1.00 0.00 H new ATOM 0 HB THR A 31 2.212 -6.642 0.776 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.154 -8.971 0.513 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.705 -7.676 -0.880 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.317 -6.102 -1.441 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.001 -7.608 -2.097 1.00 0.00 H new ATOM 418 N LEU A 32 3.529 -4.154 0.363 1.00 0.00 N ATOM 419 CA LEU A 32 3.210 -2.731 0.305 1.00 0.00 C ATOM 420 C LEU A 32 4.266 -1.968 -0.487 1.00 0.00 C ATOM 421 O LEU A 32 3.941 -1.095 -1.291 1.00 0.00 O ATOM 422 CB LEU A 32 3.100 -2.156 1.718 1.00 0.00 C ATOM 423 CG LEU A 32 2.250 -2.956 2.705 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.279 -2.310 4.082 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.819 -3.076 2.201 1.00 0.00 C ATOM 0 H LEU A 32 3.730 -4.503 1.300 1.00 0.00 H new ATOM 0 HA LEU A 32 2.252 -2.618 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.105 -2.061 2.129 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.688 -1.149 1.648 1.00 0.00 H new ATOM 0 HG LEU A 32 2.671 -3.958 2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.668 -2.894 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.306 -2.276 4.447 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.884 -1.296 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.228 -3.649 2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.388 -2.081 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.814 -3.585 1.237 1.00 0.00 H new ATOM 437 N GLN A 33 5.531 -2.304 -0.255 1.00 0.00 N ATOM 438 CA GLN A 33 6.634 -1.651 -0.948 1.00 0.00 C ATOM 439 C GLN A 33 6.465 -1.755 -2.460 1.00 0.00 C ATOM 440 O GLN A 33 7.094 -1.016 -3.217 1.00 0.00 O ATOM 441 CB GLN A 33 7.967 -2.272 -0.529 1.00 0.00 C ATOM 442 CG GLN A 33 8.590 -1.610 0.690 1.00 0.00 C ATOM 443 CD GLN A 33 9.509 -0.461 0.324 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.728 -0.622 0.263 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.928 0.707 0.078 1.00 0.00 N ATOM 0 H GLN A 33 5.817 -3.025 0.408 1.00 0.00 H new ATOM 0 HA GLN A 33 6.629 -0.597 -0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.815 -3.331 -0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.666 -2.209 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.799 -1.243 1.344 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.152 -2.354 1.255 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.914 0.795 0.140 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.496 1.516 -0.173 1.00 0.00 H new ATOM 454 N GLU A 34 5.611 -2.678 -2.893 1.00 0.00 N ATOM 455 CA GLU A 34 5.361 -2.879 -4.316 1.00 0.00 C ATOM 456 C GLU A 34 4.256 -1.950 -4.810 1.00 0.00 C ATOM 457 O GLU A 34 4.369 -1.343 -5.875 1.00 0.00 O ATOM 458 CB GLU A 34 4.979 -4.335 -4.588 1.00 0.00 C ATOM 459 CG GLU A 34 6.040 -5.334 -4.155 1.00 0.00 C ATOM 460 CD GLU A 34 7.226 -5.370 -5.099 1.00 0.00 C ATOM 461 OE1 GLU A 34 7.871 -4.317 -5.283 1.00 0.00 O ATOM 462 OE2 GLU A 34 7.510 -6.453 -5.653 1.00 0.00 O ATOM 0 H GLU A 34 5.081 -3.297 -2.280 1.00 0.00 H new ATOM 0 HA GLU A 34 6.278 -2.645 -4.857 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.047 -4.560 -4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.789 -4.459 -5.654 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.385 -5.080 -3.153 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.596 -6.328 -4.097 1.00 0.00 H new ATOM 469 N VAL A 35 3.185 -1.846 -4.029 1.00 0.00 N ATOM 470 CA VAL A 35 2.059 -0.992 -4.385 1.00 0.00 C ATOM 471 C VAL A 35 2.448 0.481 -4.334 1.00 0.00 C ATOM 472 O VAL A 35 2.105 1.256 -5.227 1.00 0.00 O ATOM 473 CB VAL A 35 0.858 -1.227 -3.450 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.320 -0.358 -3.863 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.469 -2.697 -3.441 1.00 0.00 C ATOM 0 H VAL A 35 3.074 -2.343 -3.145 1.00 0.00 H new ATOM 0 HA VAL A 35 1.773 -1.254 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 35 1.148 -0.945 -2.438 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.159 -0.538 -3.190 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.033 0.692 -3.812 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.614 -0.604 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.381 -2.844 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.198 -3.008 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.311 -3.294 -3.092 1.00 0.00 H new ATOM 485 N PHE A 36 3.168 0.862 -3.284 1.00 0.00 N ATOM 486 CA PHE A 36 3.604 2.243 -3.116 1.00 0.00 C ATOM 487 C PHE A 36 5.110 2.367 -3.328 1.00 0.00 C ATOM 488 O PHE A 36 5.902 2.005 -2.459 1.00 0.00 O ATOM 489 CB PHE A 36 3.231 2.752 -1.722 1.00 0.00 C ATOM 490 CG PHE A 36 1.803 2.477 -1.346 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.796 3.356 -1.709 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.468 1.339 -0.630 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.519 3.106 -1.364 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.155 1.084 -0.282 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.840 1.968 -0.651 1.00 0.00 C ATOM 0 H PHE A 36 3.462 0.233 -2.536 1.00 0.00 H new ATOM 0 HA PHE A 36 3.097 2.851 -3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.888 2.288 -0.987 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.410 3.826 -1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.041 4.247 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.242 0.643 -0.341 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.295 3.800 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.093 0.194 0.278 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.867 1.770 -0.382 1.00 0.00 H new ATOM 505 N GLU A 37 5.497 2.881 -4.492 1.00 0.00 N ATOM 506 CA GLU A 37 6.908 3.052 -4.819 1.00 0.00 C ATOM 507 C GLU A 37 7.434 4.380 -4.282 1.00 0.00 C ATOM 508 O GLU A 37 8.619 4.513 -3.976 1.00 0.00 O ATOM 509 CB GLU A 37 7.114 2.984 -6.334 1.00 0.00 C ATOM 510 CG GLU A 37 6.936 1.589 -6.910 1.00 0.00 C ATOM 511 CD GLU A 37 7.462 1.472 -8.328 1.00 0.00 C ATOM 512 OE1 GLU A 37 7.013 2.252 -9.194 1.00 0.00 O ATOM 513 OE2 GLU A 37 8.323 0.601 -8.571 1.00 0.00 O ATOM 0 H GLU A 37 4.854 3.186 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 37 7.465 2.243 -4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.410 3.661 -6.819 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.116 3.341 -6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.452 0.869 -6.275 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.878 1.326 -6.896 1.00 0.00 H new ATOM 520 N LYS A 38 6.545 5.361 -4.171 1.00 0.00 N ATOM 521 CA LYS A 38 6.917 6.679 -3.671 1.00 0.00 C ATOM 522 C LYS A 38 6.946 6.694 -2.146 1.00 0.00 C ATOM 523 O LYS A 38 7.530 7.588 -1.536 1.00 0.00 O ATOM 524 CB LYS A 38 5.937 7.737 -4.183 1.00 0.00 C ATOM 525 CG LYS A 38 5.650 7.630 -5.671 1.00 0.00 C ATOM 526 CD LYS A 38 6.743 8.285 -6.499 1.00 0.00 C ATOM 527 CE LYS A 38 6.417 8.245 -7.984 1.00 0.00 C ATOM 528 NZ LYS A 38 5.563 9.393 -8.396 1.00 0.00 N ATOM 0 H LYS A 38 5.560 5.268 -4.421 1.00 0.00 H new ATOM 0 HA LYS A 38 7.917 6.910 -4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.000 7.649 -3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.340 8.727 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.560 6.580 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.693 8.102 -5.893 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.871 9.320 -6.181 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.691 7.777 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 38 7.343 8.256 -8.559 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.907 7.311 -8.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.363 9.329 -9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.669 9.368 -7.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.060 10.285 -8.196 1.00 0.00 H new ATOM 542 N ALA A 39 6.313 5.697 -1.537 1.00 0.00 N ATOM 543 CA ALA A 39 6.269 5.594 -0.083 1.00 0.00 C ATOM 544 C ALA A 39 7.673 5.626 0.511 1.00 0.00 C ATOM 545 O ALA A 39 8.437 4.669 0.379 1.00 0.00 O ATOM 546 CB ALA A 39 5.546 4.322 0.335 1.00 0.00 C ATOM 0 H ALA A 39 5.823 4.949 -2.028 1.00 0.00 H new ATOM 0 HA ALA A 39 5.720 6.453 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.521 4.259 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.527 4.339 -0.051 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.072 3.456 -0.067 1.00 0.00 H new ATOM 552 N THR A 40 8.008 6.733 1.167 1.00 0.00 N ATOM 553 CA THR A 40 9.321 6.890 1.780 1.00 0.00 C ATOM 554 C THR A 40 9.501 5.927 2.948 1.00 0.00 C ATOM 555 O THR A 40 10.622 5.668 3.385 1.00 0.00 O ATOM 556 CB THR A 40 9.539 8.331 2.279 1.00 0.00 C ATOM 557 OG1 THR A 40 8.633 8.621 3.349 1.00 0.00 O ATOM 558 CG2 THR A 40 9.337 9.330 1.151 1.00 0.00 C ATOM 0 H THR A 40 7.388 7.534 1.287 1.00 0.00 H new ATOM 0 HA THR A 40 10.059 6.665 1.010 1.00 0.00 H new ATOM 0 HB THR A 40 10.564 8.417 2.639 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.111 8.577 4.203 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.496 10.341 1.527 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.048 9.124 0.351 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.321 9.242 0.765 1.00 0.00 H new ATOM 566 N PHE A 41 8.390 5.399 3.450 1.00 0.00 N ATOM 567 CA PHE A 41 8.425 4.464 4.569 1.00 0.00 C ATOM 568 C PHE A 41 7.074 3.777 4.747 1.00 0.00 C ATOM 569 O PHE A 41 6.025 4.417 4.665 1.00 0.00 O ATOM 570 CB PHE A 41 8.813 5.192 5.858 1.00 0.00 C ATOM 571 CG PHE A 41 9.286 4.272 6.947 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.602 3.842 6.986 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.413 3.837 7.932 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.039 2.995 7.987 1.00 0.00 C ATOM 575 CE2 PHE A 41 8.845 2.990 8.935 1.00 0.00 C ATOM 576 CZ PHE A 41 10.160 2.570 8.963 1.00 0.00 C ATOM 0 H PHE A 41 7.454 5.602 3.100 1.00 0.00 H new ATOM 0 HA PHE A 41 9.174 3.703 4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.599 5.913 5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.954 5.758 6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.294 4.172 6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.384 4.164 7.915 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.067 2.666 8.006 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.155 2.657 9.696 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.500 1.910 9.747 1.00 0.00 H new ATOM 586 N ILE A 42 7.108 2.471 4.990 1.00 0.00 N ATOM 587 CA ILE A 42 5.888 1.697 5.180 1.00 0.00 C ATOM 588 C ILE A 42 5.905 0.963 6.516 1.00 0.00 C ATOM 589 O ILE A 42 6.880 0.292 6.856 1.00 0.00 O ATOM 590 CB ILE A 42 5.688 0.674 4.046 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.474 1.393 2.712 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.510 -0.238 4.357 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.363 0.454 1.531 1.00 0.00 C ATOM 0 H ILE A 42 7.968 1.927 5.060 1.00 0.00 H new ATOM 0 HA ILE A 42 5.060 2.405 5.169 1.00 0.00 H new ATOM 0 HB ILE A 42 6.586 0.061 3.967 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.567 1.995 2.774 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.302 2.081 2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.381 -0.955 3.546 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.699 -0.772 5.288 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.604 0.360 4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.212 1.032 0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.279 -0.130 1.443 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.517 -0.218 1.678 1.00 0.00 H new ATOM 605 N LYS A 43 4.818 1.092 7.269 1.00 0.00 N ATOM 606 CA LYS A 43 4.705 0.438 8.568 1.00 0.00 C ATOM 607 C LYS A 43 3.474 -0.462 8.619 1.00 0.00 C ATOM 608 O LYS A 43 2.376 -0.050 8.243 1.00 0.00 O ATOM 609 CB LYS A 43 4.633 1.483 9.683 1.00 0.00 C ATOM 610 CG LYS A 43 5.017 0.941 11.050 1.00 0.00 C ATOM 611 CD LYS A 43 6.524 0.923 11.238 1.00 0.00 C ATOM 612 CE LYS A 43 6.921 0.130 12.474 1.00 0.00 C ATOM 613 NZ LYS A 43 8.395 0.140 12.690 1.00 0.00 N ATOM 0 H LYS A 43 4.002 1.643 7.002 1.00 0.00 H new ATOM 0 HA LYS A 43 5.591 -0.180 8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.292 2.315 9.433 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.620 1.882 9.731 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.560 1.553 11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.623 -0.068 11.166 1.00 0.00 H new ATOM 0 HD2 LYS A 43 6.997 0.488 10.358 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.893 1.945 11.326 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.423 0.548 13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.576 -0.899 12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.625 -0.411 13.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.869 -0.282 11.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.721 1.120 12.813 1.00 0.00 H new ATOM 627 N VAL A 44 3.664 -1.691 9.086 1.00 0.00 N ATOM 628 CA VAL A 44 2.568 -2.648 9.189 1.00 0.00 C ATOM 629 C VAL A 44 2.560 -3.330 10.552 1.00 0.00 C ATOM 630 O VAL A 44 3.299 -4.283 10.802 1.00 0.00 O ATOM 631 CB VAL A 44 2.658 -3.723 8.090 1.00 0.00 C ATOM 632 CG1 VAL A 44 4.011 -4.417 8.130 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.528 -4.731 8.238 1.00 0.00 C ATOM 0 H VAL A 44 4.567 -2.048 9.399 1.00 0.00 H new ATOM 0 HA VAL A 44 1.643 -2.085 9.063 1.00 0.00 H new ATOM 0 HB VAL A 44 2.556 -3.236 7.120 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.055 -5.173 7.346 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.801 -3.683 7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.147 -4.893 9.101 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.607 -5.484 7.453 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.597 -5.214 9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.570 -4.218 8.154 1.00 0.00 H new ATOM 643 N PRO A 45 1.704 -2.832 11.457 1.00 0.00 N ATOM 644 CA PRO A 45 1.578 -3.379 12.811 1.00 0.00 C ATOM 645 C PRO A 45 0.936 -4.762 12.820 1.00 0.00 C ATOM 646 O PRO A 45 -0.168 -4.947 12.309 1.00 0.00 O ATOM 647 CB PRO A 45 0.675 -2.366 13.520 1.00 0.00 C ATOM 648 CG PRO A 45 -0.113 -1.731 12.427 1.00 0.00 C ATOM 649 CD PRO A 45 0.794 -1.698 11.228 1.00 0.00 C ATOM 0 HA PRO A 45 2.549 -3.513 13.288 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.024 -2.855 14.245 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.261 -1.627 14.066 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.018 -2.301 12.216 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.428 -0.725 12.706 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.236 -1.812 10.299 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.336 -0.755 11.160 1.00 0.00 H new ATOM 657 N GLN A 46 1.634 -5.730 13.405 1.00 0.00 N ATOM 658 CA GLN A 46 1.131 -7.097 13.479 1.00 0.00 C ATOM 659 C GLN A 46 0.922 -7.521 14.929 1.00 0.00 C ATOM 660 O GLN A 46 1.180 -6.753 15.855 1.00 0.00 O ATOM 661 CB GLN A 46 2.101 -8.058 12.789 1.00 0.00 C ATOM 662 CG GLN A 46 2.215 -7.834 11.290 1.00 0.00 C ATOM 663 CD GLN A 46 2.935 -8.967 10.584 1.00 0.00 C ATOM 664 OE1 GLN A 46 3.206 -10.011 11.178 1.00 0.00 O ATOM 665 NE2 GLN A 46 3.250 -8.765 9.310 1.00 0.00 N ATOM 0 H GLN A 46 2.549 -5.593 13.834 1.00 0.00 H new ATOM 0 HA GLN A 46 0.170 -7.133 12.966 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.088 -7.951 13.240 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.776 -9.082 12.971 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.217 -7.723 10.866 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.746 -6.900 11.105 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.006 -7.884 8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.736 -9.491 8.784 1.00 0.00 H new ATOM 726 N LYS A 51 0.168 -11.530 12.868 1.00 0.00 N ATOM 727 CA LYS A 51 -0.993 -11.186 12.056 1.00 0.00 C ATOM 728 C LYS A 51 -1.206 -9.676 12.023 1.00 0.00 C ATOM 729 O LYS A 51 -1.250 -9.023 13.066 1.00 0.00 O ATOM 730 CB LYS A 51 -2.245 -11.876 12.602 1.00 0.00 C ATOM 731 CG LYS A 51 -2.487 -13.254 12.011 1.00 0.00 C ATOM 732 CD LYS A 51 -3.807 -13.840 12.483 1.00 0.00 C ATOM 733 CE LYS A 51 -3.914 -15.319 12.142 1.00 0.00 C ATOM 734 NZ LYS A 51 -3.797 -15.560 10.677 1.00 0.00 N ATOM 0 HA LYS A 51 -0.809 -11.532 11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.158 -11.965 13.685 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.113 -11.247 12.403 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.485 -13.190 10.923 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.671 -13.920 12.292 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.901 -13.706 13.561 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.633 -13.298 12.021 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -3.132 -15.870 12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.869 -15.706 12.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.387 -16.374 10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.117 -14.716 10.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.805 -15.758 10.436 1.00 0.00 H new ATOM 748 N SER A 52 -1.338 -9.127 10.820 1.00 0.00 N ATOM 749 CA SER A 52 -1.544 -7.694 10.651 1.00 0.00 C ATOM 750 C SER A 52 -2.808 -7.238 11.373 1.00 0.00 C ATOM 751 O SER A 52 -3.909 -7.705 11.077 1.00 0.00 O ATOM 752 CB SER A 52 -1.635 -7.341 9.165 1.00 0.00 C ATOM 753 OG SER A 52 -2.673 -8.069 8.532 1.00 0.00 O ATOM 0 H SER A 52 -1.306 -9.654 9.947 1.00 0.00 H new ATOM 0 HA SER A 52 -0.690 -7.176 11.088 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.815 -6.272 9.052 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.685 -7.558 8.677 1.00 0.00 H new ATOM 0 HG SER A 52 -3.368 -8.286 9.188 1.00 0.00 H new ATOM 759 N LYS A 53 -2.644 -6.323 12.321 1.00 0.00 N ATOM 760 CA LYS A 53 -3.770 -5.801 13.086 1.00 0.00 C ATOM 761 C LYS A 53 -4.962 -5.521 12.176 1.00 0.00 C ATOM 762 O LYS A 53 -6.113 -5.599 12.603 1.00 0.00 O ATOM 763 CB LYS A 53 -3.365 -4.522 13.822 1.00 0.00 C ATOM 764 CG LYS A 53 -2.189 -4.709 14.765 1.00 0.00 C ATOM 765 CD LYS A 53 -2.262 -3.752 15.943 1.00 0.00 C ATOM 766 CE LYS A 53 -1.586 -4.333 17.176 1.00 0.00 C ATOM 767 NZ LYS A 53 -2.204 -3.832 18.435 1.00 0.00 N ATOM 0 H LYS A 53 -1.740 -5.927 12.579 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.062 -6.556 13.817 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.114 -3.755 13.089 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.220 -4.153 14.389 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.174 -5.736 15.130 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.257 -4.549 14.222 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.786 -2.808 15.677 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.305 -3.530 16.169 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.651 -5.421 17.147 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.527 -4.077 17.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.716 -4.251 19.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.120 -2.796 18.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.209 -4.099 18.458 1.00 0.00 H new ATOM 781 N GLY A 54 -4.678 -5.195 10.919 1.00 0.00 N ATOM 782 CA GLY A 54 -5.737 -4.910 9.969 1.00 0.00 C ATOM 783 C GLY A 54 -5.575 -3.554 9.310 1.00 0.00 C ATOM 784 O GLY A 54 -6.442 -3.117 8.552 1.00 0.00 O ATOM 0 H GLY A 54 -3.733 -5.123 10.542 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.751 -5.684 9.202 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.699 -4.950 10.479 1.00 0.00 H new ATOM 788 N TYR A 55 -4.465 -2.886 9.600 1.00 0.00 N ATOM 789 CA TYR A 55 -4.194 -1.570 9.034 1.00 0.00 C ATOM 790 C TYR A 55 -2.698 -1.365 8.822 1.00 0.00 C ATOM 791 O TYR A 55 -1.887 -2.222 9.172 1.00 0.00 O ATOM 792 CB TYR A 55 -4.746 -0.475 9.949 1.00 0.00 C ATOM 793 CG TYR A 55 -4.533 -0.751 11.420 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.314 -1.683 12.092 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.551 -0.079 12.138 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.123 -1.938 13.437 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.352 -0.329 13.482 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.141 -1.259 14.127 1.00 0.00 C ATOM 799 OH TYR A 55 -3.947 -1.510 15.466 1.00 0.00 O ATOM 0 H TYR A 55 -3.737 -3.234 10.224 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.691 -1.510 8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.273 0.473 9.694 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.813 -0.359 9.760 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.083 -2.217 11.554 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.933 0.651 11.637 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.739 -2.665 13.945 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.583 0.201 14.025 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.216 -0.949 15.801 1.00 0.00 H new ATOM 809 N ALA A 56 -2.339 -0.222 8.247 1.00 0.00 N ATOM 810 CA ALA A 56 -0.941 0.099 7.990 1.00 0.00 C ATOM 811 C ALA A 56 -0.729 1.607 7.907 1.00 0.00 C ATOM 812 O ALA A 56 -1.676 2.366 7.701 1.00 0.00 O ATOM 813 CB ALA A 56 -0.472 -0.573 6.707 1.00 0.00 C ATOM 0 H ALA A 56 -2.998 0.498 7.950 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.349 -0.279 8.823 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.574 -0.324 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.577 -1.654 6.803 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.077 -0.223 5.871 1.00 0.00 H new ATOM 819 N PHE A 57 0.518 2.034 8.069 1.00 0.00 N ATOM 820 CA PHE A 57 0.854 3.452 8.014 1.00 0.00 C ATOM 821 C PHE A 57 1.878 3.727 6.917 1.00 0.00 C ATOM 822 O PHE A 57 3.056 3.395 7.056 1.00 0.00 O ATOM 823 CB PHE A 57 1.398 3.922 9.365 1.00 0.00 C ATOM 824 CG PHE A 57 0.353 3.988 10.442 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.534 5.050 10.502 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.258 2.986 11.395 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.496 5.114 11.491 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.703 3.044 12.387 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.580 4.109 12.436 1.00 0.00 C ATOM 0 H PHE A 57 1.313 1.419 8.240 1.00 0.00 H new ATOM 0 HA PHE A 57 -0.056 4.006 7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.193 3.247 9.682 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.846 4.908 9.244 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.473 5.838 9.766 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.942 2.151 11.362 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.181 5.948 11.526 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.768 2.257 13.123 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.330 4.157 13.211 1.00 0.00 H new ATOM 839 N ILE A 58 1.421 4.335 5.828 1.00 0.00 N ATOM 840 CA ILE A 58 2.297 4.655 4.707 1.00 0.00 C ATOM 841 C ILE A 58 2.838 6.076 4.821 1.00 0.00 C ATOM 842 O ILE A 58 2.113 6.998 5.194 1.00 0.00 O ATOM 843 CB ILE A 58 1.566 4.502 3.360 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.682 3.253 3.374 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.570 4.434 2.219 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.428 1.988 3.734 1.00 0.00 C ATOM 0 H ILE A 58 0.449 4.616 5.698 1.00 0.00 H new ATOM 0 HA ILE A 58 3.127 3.949 4.743 1.00 0.00 H new ATOM 0 HB ILE A 58 0.929 5.373 3.207 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.130 3.401 4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.227 3.129 2.391 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.039 4.326 1.273 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.162 5.349 2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.229 3.578 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.739 1.144 3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.223 1.816 3.009 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.861 2.091 4.729 1.00 0.00 H new ATOM 858 N GLU A 59 4.115 6.245 4.494 1.00 0.00 N ATOM 859 CA GLU A 59 4.752 7.555 4.558 1.00 0.00 C ATOM 860 C GLU A 59 5.295 7.964 3.192 1.00 0.00 C ATOM 861 O GLU A 59 5.834 7.139 2.453 1.00 0.00 O ATOM 862 CB GLU A 59 5.885 7.546 5.587 1.00 0.00 C ATOM 863 CG GLU A 59 6.217 8.922 6.138 1.00 0.00 C ATOM 864 CD GLU A 59 7.558 8.959 6.846 1.00 0.00 C ATOM 865 OE1 GLU A 59 8.593 8.817 6.162 1.00 0.00 O ATOM 866 OE2 GLU A 59 7.572 9.129 8.083 1.00 0.00 O ATOM 0 H GLU A 59 4.728 5.492 4.182 1.00 0.00 H new ATOM 0 HA GLU A 59 3.999 8.282 4.863 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.609 6.890 6.413 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.778 7.122 5.128 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.221 9.645 5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.435 9.230 6.832 1.00 0.00 H new ATOM 873 N PHE A 60 5.148 9.243 2.862 1.00 0.00 N ATOM 874 CA PHE A 60 5.622 9.762 1.584 1.00 0.00 C ATOM 875 C PHE A 60 6.439 11.035 1.783 1.00 0.00 C ATOM 876 O PHE A 60 6.695 11.451 2.913 1.00 0.00 O ATOM 877 CB PHE A 60 4.439 10.042 0.654 1.00 0.00 C ATOM 878 CG PHE A 60 3.625 8.820 0.335 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.793 8.259 1.290 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.693 8.234 -0.918 1.00 0.00 C ATOM 881 CE1 PHE A 60 2.042 7.135 1.000 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.944 7.111 -1.214 1.00 0.00 C ATOM 883 CZ PHE A 60 2.119 6.560 -0.254 1.00 0.00 C ATOM 0 H PHE A 60 4.705 9.939 3.462 1.00 0.00 H new ATOM 0 HA PHE A 60 6.263 9.007 1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.793 10.789 1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.812 10.473 -0.275 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.730 8.705 2.272 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.339 8.659 -1.672 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.396 6.707 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.004 6.665 -2.196 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.535 5.681 -0.483 1.00 0.00 H new ATOM 893 N ALA A 61 6.846 11.649 0.677 1.00 0.00 N ATOM 894 CA ALA A 61 7.632 12.875 0.729 1.00 0.00 C ATOM 895 C ALA A 61 6.779 14.056 1.180 1.00 0.00 C ATOM 896 O ALA A 61 7.262 14.956 1.868 1.00 0.00 O ATOM 897 CB ALA A 61 8.256 13.161 -0.629 1.00 0.00 C ATOM 0 H ALA A 61 6.644 11.317 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 61 8.428 12.735 1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.840 14.080 -0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.907 12.334 -0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.469 13.275 -1.374 1.00 0.00 H new ATOM 903 N SER A 62 5.509 14.047 0.788 1.00 0.00 N ATOM 904 CA SER A 62 4.590 15.120 1.148 1.00 0.00 C ATOM 905 C SER A 62 3.160 14.767 0.751 1.00 0.00 C ATOM 906 O SER A 62 2.904 13.700 0.192 1.00 0.00 O ATOM 907 CB SER A 62 5.010 16.428 0.474 1.00 0.00 C ATOM 908 OG SER A 62 4.648 17.548 1.264 1.00 0.00 O ATOM 0 H SER A 62 5.093 13.308 0.221 1.00 0.00 H new ATOM 0 HA SER A 62 4.627 15.249 2.230 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.088 16.427 0.311 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.539 16.503 -0.506 1.00 0.00 H new ATOM 0 HG SER A 62 4.929 18.371 0.812 1.00 0.00 H new ATOM 914 N PHE A 63 2.231 15.670 1.045 1.00 0.00 N ATOM 915 CA PHE A 63 0.825 15.455 0.720 1.00 0.00 C ATOM 916 C PHE A 63 0.638 15.263 -0.782 1.00 0.00 C ATOM 917 O PHE A 63 -0.432 14.861 -1.238 1.00 0.00 O ATOM 918 CB PHE A 63 -0.019 16.635 1.204 1.00 0.00 C ATOM 919 CG PHE A 63 -1.278 16.838 0.410 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.323 15.933 0.501 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.416 17.934 -0.426 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.482 16.116 -0.229 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.573 18.123 -1.158 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.608 17.213 -1.059 1.00 0.00 C ATOM 0 H PHE A 63 2.426 16.558 1.508 1.00 0.00 H new ATOM 0 HA PHE A 63 0.495 14.549 1.228 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.280 16.479 2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.581 17.544 1.157 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.231 15.075 1.150 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.610 18.649 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.289 15.402 -0.151 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.668 18.981 -1.807 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.513 17.359 -1.629 1.00 0.00 H new ATOM 934 N GLU A 64 1.686 15.555 -1.546 1.00 0.00 N ATOM 935 CA GLU A 64 1.636 15.416 -2.997 1.00 0.00 C ATOM 936 C GLU A 64 1.651 13.945 -3.403 1.00 0.00 C ATOM 937 O GLU A 64 0.696 13.444 -3.996 1.00 0.00 O ATOM 938 CB GLU A 64 2.815 16.147 -3.642 1.00 0.00 C ATOM 939 CG GLU A 64 2.521 17.601 -3.974 1.00 0.00 C ATOM 940 CD GLU A 64 2.753 18.527 -2.796 1.00 0.00 C ATOM 941 OE1 GLU A 64 1.920 18.524 -1.866 1.00 0.00 O ATOM 942 OE2 GLU A 64 3.769 19.254 -2.805 1.00 0.00 O ATOM 0 H GLU A 64 2.579 15.889 -1.185 1.00 0.00 H new ATOM 0 HA GLU A 64 0.705 15.862 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.671 16.103 -2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.100 15.625 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.151 17.914 -4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.486 17.692 -4.305 1.00 0.00 H new ATOM 949 N ASP A 65 2.742 13.260 -3.080 1.00 0.00 N ATOM 950 CA ASP A 65 2.883 11.846 -3.411 1.00 0.00 C ATOM 951 C ASP A 65 1.848 11.009 -2.668 1.00 0.00 C ATOM 952 O ASP A 65 1.153 10.188 -3.266 1.00 0.00 O ATOM 953 CB ASP A 65 4.292 11.359 -3.070 1.00 0.00 C ATOM 954 CG ASP A 65 5.279 11.608 -4.193 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.207 10.896 -5.216 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.124 12.517 -4.049 1.00 0.00 O ATOM 0 H ASP A 65 3.542 13.660 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 65 2.716 11.730 -4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.639 11.862 -2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.261 10.292 -2.848 1.00 0.00 H new ATOM 961 N ALA A 66 1.751 11.221 -1.359 1.00 0.00 N ATOM 962 CA ALA A 66 0.800 10.486 -0.534 1.00 0.00 C ATOM 963 C ALA A 66 -0.574 10.435 -1.194 1.00 0.00 C ATOM 964 O ALA A 66 -1.224 9.390 -1.219 1.00 0.00 O ATOM 965 CB ALA A 66 0.701 11.117 0.847 1.00 0.00 C ATOM 0 H ALA A 66 2.320 11.896 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 66 1.162 9.463 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.013 10.558 1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.679 11.096 1.328 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.365 12.150 0.752 1.00 0.00 H new ATOM 971 N LYS A 67 -1.012 11.571 -1.727 1.00 0.00 N ATOM 972 CA LYS A 67 -2.309 11.657 -2.388 1.00 0.00 C ATOM 973 C LYS A 67 -2.269 10.982 -3.755 1.00 0.00 C ATOM 974 O LYS A 67 -3.273 10.444 -4.221 1.00 0.00 O ATOM 975 CB LYS A 67 -2.730 13.120 -2.542 1.00 0.00 C ATOM 976 CG LYS A 67 -3.961 13.310 -3.411 1.00 0.00 C ATOM 977 CD LYS A 67 -5.210 12.770 -2.736 1.00 0.00 C ATOM 978 CE LYS A 67 -5.680 13.688 -1.618 1.00 0.00 C ATOM 979 NZ LYS A 67 -7.143 13.558 -1.371 1.00 0.00 N ATOM 0 H LYS A 67 -0.487 12.445 -1.714 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.040 11.138 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.924 13.539 -1.555 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.902 13.684 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.094 14.370 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.815 12.804 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.004 12.658 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.007 11.778 -2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.135 13.454 -0.703 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.445 14.721 -1.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.424 14.200 -0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.664 13.805 -2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.364 12.578 -1.102 1.00 0.00 H new ATOM 993 N GLU A 68 -1.102 11.013 -4.391 1.00 0.00 N ATOM 994 CA GLU A 68 -0.932 10.403 -5.705 1.00 0.00 C ATOM 995 C GLU A 68 -1.243 8.909 -5.656 1.00 0.00 C ATOM 996 O GLU A 68 -1.848 8.360 -6.576 1.00 0.00 O ATOM 997 CB GLU A 68 0.494 10.622 -6.213 1.00 0.00 C ATOM 998 CG GLU A 68 0.780 9.935 -7.538 1.00 0.00 C ATOM 999 CD GLU A 68 1.887 10.615 -8.320 1.00 0.00 C ATOM 1000 OE1 GLU A 68 2.853 11.093 -7.690 1.00 0.00 O ATOM 1001 OE2 GLU A 68 1.787 10.668 -9.564 1.00 0.00 O ATOM 0 H GLU A 68 -0.261 11.454 -4.018 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.632 10.880 -6.392 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.672 11.692 -6.322 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.197 10.257 -5.465 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.056 8.897 -7.353 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.129 9.921 -8.139 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.823 8.259 -4.575 1.00 0.00 N ATOM 1009 CA ALA A 69 -1.057 6.831 -4.404 1.00 0.00 C ATOM 1010 C ALA A 69 -2.405 6.571 -3.740 1.00 0.00 C ATOM 1011 O ALA A 69 -3.084 5.592 -4.053 1.00 0.00 O ATOM 1012 CB ALA A 69 0.065 6.206 -3.588 1.00 0.00 C ATOM 0 H ALA A 69 -0.319 8.699 -3.805 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.073 6.370 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.123 5.139 -3.468 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.014 6.352 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.109 6.679 -2.607 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.786 7.452 -2.821 1.00 0.00 N ATOM 1019 CA LEU A 70 -4.053 7.317 -2.112 1.00 0.00 C ATOM 1020 C LEU A 70 -5.232 7.470 -3.068 1.00 0.00 C ATOM 1021 O LEU A 70 -6.323 6.964 -2.810 1.00 0.00 O ATOM 1022 CB LEU A 70 -4.149 8.359 -0.996 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.561 8.784 -0.593 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.237 7.691 0.219 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.523 10.087 0.191 1.00 0.00 C ATOM 0 H LEU A 70 -2.236 8.267 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.091 6.319 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.644 7.965 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.599 9.247 -1.307 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.143 8.946 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.241 8.012 0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.299 6.780 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.656 7.496 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.537 10.374 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.924 9.952 1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.081 10.870 -0.425 1.00 0.00 H new ATOM 1037 N ASN A 71 -5.003 8.170 -4.174 1.00 0.00 N ATOM 1038 CA ASN A 71 -6.045 8.388 -5.171 1.00 0.00 C ATOM 1039 C ASN A 71 -6.267 7.134 -6.010 1.00 0.00 C ATOM 1040 O ASN A 71 -7.393 6.825 -6.398 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.675 9.563 -6.077 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.186 10.888 -5.545 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.263 10.958 -4.952 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.414 11.948 -5.755 1.00 0.00 N ATOM 0 H ASN A 71 -4.105 8.596 -4.403 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.972 8.620 -4.646 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.591 9.610 -6.181 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.084 9.393 -7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.706 12.866 -5.420 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.529 11.844 -6.251 1.00 0.00 H new ATOM 1051 N SER A 72 -5.184 6.414 -6.286 1.00 0.00 N ATOM 1052 CA SER A 72 -5.259 5.195 -7.082 1.00 0.00 C ATOM 1053 C SER A 72 -5.321 3.963 -6.184 1.00 0.00 C ATOM 1054 O SER A 72 -6.326 3.250 -6.158 1.00 0.00 O ATOM 1055 CB SER A 72 -4.053 5.097 -8.018 1.00 0.00 C ATOM 1056 OG SER A 72 -4.379 4.382 -9.198 1.00 0.00 O ATOM 0 H SER A 72 -4.244 6.654 -5.970 1.00 0.00 H new ATOM 0 HA SER A 72 -6.171 5.235 -7.678 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.709 6.098 -8.279 1.00 0.00 H new ATOM 0 HB3 SER A 72 -3.230 4.601 -7.504 1.00 0.00 H new ATOM 0 HG SER A 72 -3.592 4.335 -9.780 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.241 3.719 -5.450 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.172 2.572 -4.551 1.00 0.00 C ATOM 1064 C CYS A 73 -5.504 2.358 -3.839 1.00 0.00 C ATOM 1065 O CYS A 73 -5.863 1.231 -3.501 1.00 0.00 O ATOM 1066 CB CYS A 73 -3.057 2.771 -3.523 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.406 2.924 -4.244 1.00 0.00 S ATOM 0 H CYS A 73 -3.402 4.299 -5.459 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.953 1.686 -5.148 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.271 3.666 -2.939 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.062 1.930 -2.830 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.538 3.136 -3.300 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.231 3.447 -3.614 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.523 3.378 -2.941 1.00 0.00 C ATOM 1075 C ASN A 74 -8.258 2.092 -3.304 1.00 0.00 C ATOM 1076 O ASN A 74 -8.453 1.786 -4.481 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.380 4.590 -3.311 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.334 4.985 -2.201 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.536 5.133 -2.423 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.801 5.158 -0.997 1.00 0.00 N ATOM 0 H ASN A 74 -5.948 4.388 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.345 3.382 -1.866 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.730 5.433 -3.545 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.949 4.367 -4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.393 5.424 -0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.799 5.025 -0.859 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.664 1.341 -2.286 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.380 0.088 -2.495 1.00 0.00 C ATOM 1089 C LYS A 75 -8.569 -0.861 -3.372 1.00 0.00 C ATOM 1090 O LYS A 75 -9.052 -1.338 -4.399 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.742 0.357 -3.140 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.583 1.371 -2.385 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.460 0.701 -1.341 1.00 0.00 C ATOM 1094 CE LYS A 75 -13.159 1.725 -0.459 1.00 0.00 C ATOM 1095 NZ LYS A 75 -14.441 2.189 -1.058 1.00 0.00 N ATOM 0 H LYS A 75 -8.509 1.579 -1.306 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.531 -0.382 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.588 0.712 -4.159 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.294 -0.581 -3.209 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.931 2.098 -1.901 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.208 1.922 -3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.204 0.077 -1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.852 0.041 -0.722 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.353 1.289 0.521 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.501 2.580 -0.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.887 2.886 -0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.254 2.628 -1.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.079 1.378 -1.184 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.335 -1.132 -2.959 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.458 -2.025 -3.707 1.00 0.00 C ATOM 1111 C ARG A 76 -6.623 -3.467 -3.237 1.00 0.00 C ATOM 1112 O ARG A 76 -6.440 -3.771 -2.059 1.00 0.00 O ATOM 1113 CB ARG A 76 -5.000 -1.590 -3.551 1.00 0.00 C ATOM 1114 CG ARG A 76 -4.003 -2.586 -4.121 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.706 -2.301 -5.585 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.468 -2.938 -6.026 1.00 0.00 N ATOM 1117 CZ ARG A 76 -1.757 -2.519 -7.068 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -2.160 -1.469 -7.770 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -0.641 -3.151 -7.408 1.00 0.00 N ATOM 0 H ARG A 76 -6.920 -0.746 -2.111 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.736 -1.970 -4.760 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.862 -0.628 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.786 -1.439 -2.493 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.078 -2.546 -3.546 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.398 -3.597 -4.019 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.534 -2.655 -6.199 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.634 -1.224 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.131 -3.748 -5.506 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.017 -0.981 -7.511 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.613 -1.149 -8.569 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.328 -3.959 -6.870 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.096 -2.829 -8.208 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.969 -4.351 -4.168 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.159 -5.761 -3.849 1.00 0.00 C ATOM 1135 C GLU A 77 -5.817 -6.470 -3.692 1.00 0.00 C ATOM 1136 O GLU A 77 -5.163 -6.809 -4.679 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.986 -6.447 -4.938 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.484 -6.387 -4.693 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.291 -6.563 -5.965 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -10.229 -7.660 -6.559 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.983 -5.604 -6.366 1.00 0.00 O ATOM 0 H GLU A 77 -7.123 -4.116 -5.148 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.696 -5.823 -2.902 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.764 -5.981 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.680 -7.491 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.763 -7.163 -3.980 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.736 -5.429 -4.237 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.412 -6.689 -2.446 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.148 -7.357 -2.160 1.00 0.00 C ATOM 1150 C ILE A 78 -4.378 -8.685 -1.446 1.00 0.00 C ATOM 1151 O ILE A 78 -5.122 -8.754 -0.468 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.228 -6.475 -1.296 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.880 -5.183 -2.038 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -1.964 -7.235 -0.922 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -1.877 -4.318 -1.307 1.00 0.00 C ATOM 0 H ILE A 78 -5.941 -6.414 -1.618 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.664 -7.542 -3.119 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.756 -6.214 -0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.483 -5.434 -3.021 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.793 -4.609 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.324 -6.598 -0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.230 -8.129 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.431 -7.523 -1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.678 -3.419 -1.891 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.280 -4.037 -0.334 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.950 -4.874 -1.168 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.732 -9.736 -1.941 1.00 0.00 N ATOM 1168 CA GLU A 79 -3.865 -11.062 -1.349 1.00 0.00 C ATOM 1169 C GLU A 79 -5.334 -11.457 -1.225 1.00 0.00 C ATOM 1170 O GLU A 79 -5.714 -12.200 -0.321 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.198 -11.100 0.028 1.00 0.00 C ATOM 1172 CG GLU A 79 -1.724 -11.467 -0.020 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.498 -12.929 -0.352 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -2.351 -13.519 -1.047 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.467 -13.483 0.083 1.00 0.00 O ATOM 0 H GLU A 79 -3.112 -9.695 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.368 -11.776 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.306 -10.124 0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.723 -11.819 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.223 -10.848 -0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.266 -11.242 0.943 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.156 -10.954 -2.141 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.573 -11.265 -2.117 1.00 0.00 C ATOM 1184 C GLY A 80 -8.325 -10.461 -1.075 1.00 0.00 C ATOM 1185 O GLY A 80 -9.381 -10.881 -0.601 1.00 0.00 O ATOM 0 H GLY A 80 -5.866 -10.337 -2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.001 -11.071 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.705 -12.328 -1.916 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.780 -9.303 -0.717 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.405 -8.440 0.278 1.00 0.00 C ATOM 1191 C ARG A 81 -8.308 -6.974 -0.136 1.00 0.00 C ATOM 1192 O ARG A 81 -7.215 -6.448 -0.340 1.00 0.00 O ATOM 1193 CB ARG A 81 -7.746 -8.640 1.644 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.258 -9.858 2.395 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.186 -9.655 3.900 1.00 0.00 C ATOM 1196 NE ARG A 81 -9.373 -8.981 4.419 1.00 0.00 N ATOM 1197 CZ ARG A 81 -10.556 -9.571 4.548 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -10.709 -10.841 4.198 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -11.589 -8.891 5.029 1.00 0.00 N ATOM 0 H ARG A 81 -6.907 -8.941 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.458 -8.711 0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.669 -8.734 1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -7.914 -7.751 2.253 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.288 -10.060 2.103 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -7.670 -10.732 2.116 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -8.074 -10.622 4.391 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.300 -9.069 4.145 1.00 0.00 H new ATOM 0 HE ARG A 81 -9.289 -8.003 4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -9.917 -11.367 3.829 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.619 -11.292 4.298 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.475 -7.914 5.300 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.497 -9.345 5.128 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.460 -6.322 -0.258 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.505 -4.918 -0.646 1.00 0.00 C ATOM 1215 C ALA A 82 -8.970 -4.023 0.467 1.00 0.00 C ATOM 1216 O ALA A 82 -9.472 -4.047 1.591 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.927 -4.516 -1.011 1.00 0.00 C ATOM 0 H ALA A 82 -10.374 -6.744 -0.094 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.867 -4.788 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.945 -3.465 -1.299 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.275 -5.126 -1.844 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.580 -4.668 -0.152 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.948 -3.237 0.147 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.345 -2.335 1.121 1.00 0.00 C ATOM 1225 C ILE A 83 -7.746 -0.888 0.852 1.00 0.00 C ATOM 1226 O ILE A 83 -7.716 -0.427 -0.289 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.809 -2.440 1.110 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.234 -1.715 -0.108 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.378 -3.899 1.117 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.874 -0.271 0.162 1.00 0.00 C ATOM 0 H ILE A 83 -7.520 -3.206 -0.778 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.715 -2.636 2.101 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.421 -1.962 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.345 -2.245 -0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.960 -1.754 -0.920 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.290 -3.957 1.109 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.761 -4.387 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.774 -4.400 0.234 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.473 0.180 -0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.765 0.274 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.125 -0.224 0.952 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.120 -0.177 1.911 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.527 1.218 1.790 1.00 0.00 C ATOM 1244 C ARG A 84 -7.465 2.146 2.372 1.00 0.00 C ATOM 1245 O ARG A 84 -6.744 1.777 3.300 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.863 1.445 2.499 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.644 2.632 1.960 1.00 0.00 C ATOM 1248 CD ARG A 84 -12.102 2.581 2.390 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.279 2.996 3.779 1.00 0.00 N ATOM 1250 CZ ARG A 84 -13.417 2.857 4.448 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -14.475 2.316 3.859 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -13.500 3.259 5.710 1.00 0.00 N ATOM 0 H ARG A 84 -8.150 -0.544 2.862 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.643 1.446 0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.472 0.546 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.679 1.594 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.191 3.558 2.314 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.585 2.644 0.872 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.694 3.226 1.741 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -12.482 1.567 2.264 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.484 3.416 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -14.416 2.005 2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.348 2.211 4.376 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -12.689 3.675 6.167 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -14.375 3.152 6.223 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.375 3.352 1.821 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.401 4.334 2.285 1.00 0.00 C ATOM 1268 C LEU A 85 -7.085 5.644 2.661 1.00 0.00 C ATOM 1269 O LEU A 85 -7.943 6.138 1.930 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.348 4.586 1.205 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.547 3.366 0.750 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.123 3.517 -0.703 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.332 3.162 1.643 1.00 0.00 C ATOM 0 H LEU A 85 -7.964 3.673 1.053 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.913 3.933 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.845 5.014 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.650 5.337 1.575 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.185 2.486 0.832 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.554 2.639 -1.009 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.008 3.613 -1.332 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.503 4.407 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.774 2.289 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.692 4.043 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.658 3.007 2.671 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.698 6.202 3.803 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.274 7.456 4.274 1.00 0.00 C ATOM 1287 C GLU A 86 -6.199 8.356 4.876 1.00 0.00 C ATOM 1288 O GLU A 86 -5.375 7.909 5.675 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.366 7.184 5.310 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.748 7.000 4.705 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.841 6.939 5.753 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -10.708 7.625 6.789 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.829 6.206 5.540 1.00 0.00 O ATOM 0 H GLU A 86 -5.988 5.806 4.419 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.715 7.968 3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.104 6.289 5.875 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.396 8.011 6.019 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.953 7.823 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.763 6.083 4.116 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.213 9.627 4.487 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.240 10.591 4.988 1.00 0.00 C ATOM 1302 C LEU A 87 -5.338 10.727 6.504 1.00 0.00 C ATOM 1303 O LEU A 87 -6.319 11.256 7.026 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.457 11.954 4.327 1.00 0.00 C ATOM 1305 CG LEU A 87 -4.998 12.075 2.873 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.203 13.493 2.365 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.538 11.664 2.739 1.00 0.00 C ATOM 0 H LEU A 87 -6.887 10.013 3.826 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.243 10.227 4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.520 12.193 4.373 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.935 12.708 4.916 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.602 11.402 2.264 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.871 13.560 1.329 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.260 13.752 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.625 14.186 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.228 11.756 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.919 12.311 3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.420 10.630 3.062 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.315 10.248 7.203 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.286 10.319 8.659 1.00 0.00 C ATOM 1321 C GLN A 88 -4.299 11.768 9.135 1.00 0.00 C ATOM 1322 O GLN A 88 -3.893 12.674 8.409 1.00 0.00 O ATOM 1323 CB GLN A 88 -3.047 9.603 9.201 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.255 8.982 10.573 1.00 0.00 C ATOM 1325 CD GLN A 88 -2.902 9.930 11.702 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -3.780 10.542 12.311 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -1.611 10.056 11.988 1.00 0.00 N ATOM 0 H GLN A 88 -3.496 9.807 6.785 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.179 9.823 9.039 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.752 8.823 8.499 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.221 10.313 9.254 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.296 8.674 10.674 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.647 8.081 10.656 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.917 9.529 11.457 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.313 10.679 12.738 1.00 0.00 H new