USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 488 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 26 HIS : no HE2:sc= -17.5! C(o=-24!,f=-27!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -6.57! C(o=-24!,f=-22!) USER MOD Set 2.1: A 22 SER OG : rot -33:sc= 0.326 USER MOD Set 2.2: A 44 CYS SG : rot 80:sc= -4.98! USER MOD Set 3.1: A 12 MET CE :methyl 160:sc= -0.899 (180deg=-1.57) USER MOD Set 3.2: A 20 GLN : amide:sc= -0.0139 K(o=-0.91,f=-1.9) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 110:sc= -1.07 USER MOD Single : A 15 TYR OH : rot -93:sc= -1.73 USER MOD Single : A 21 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 152:sc= -0.161 (180deg=-0.719) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.285 K(o=-0.28,f=-1.8!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -158:sc= -0.0541 (180deg=-0.505) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -168:sc=-4.65e-05 (180deg=-0.124) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -165:sc= -0.0787 (180deg=-0.83) USER MOD Single : A 52 SER OG : rot 180:sc= 0.00784 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -137:sc= 1.85 (180deg=-1.15) USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= -0.165 (180deg=-0.917) USER MOD Single : A 62 MET CE :methyl -117:sc= -0.289 (180deg=-0.605) USER MOD Single : A 64 LYS NZ :NH3+ 154:sc= -0.0228 (180deg=-0.523) USER MOD Single : A 67 LYS NZ :NH3+ -155:sc= -0.0189 (180deg=-0.517) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LYS A 11 -8.717 -5.681 3.901 1.00 0.00 N ATOM 155 CA LYS A 11 -8.508 -4.289 3.400 1.00 0.00 C ATOM 156 C LYS A 11 -7.112 -3.761 3.765 1.00 0.00 C ATOM 157 O LYS A 11 -6.847 -3.396 4.888 1.00 0.00 O ATOM 158 CB LYS A 11 -9.609 -3.328 3.993 1.00 0.00 C ATOM 159 CG LYS A 11 -10.257 -3.922 5.262 1.00 0.00 C ATOM 160 CD LYS A 11 -9.219 -4.032 6.379 1.00 0.00 C ATOM 161 CE LYS A 11 -9.928 -4.419 7.680 1.00 0.00 C ATOM 162 NZ LYS A 11 -8.933 -4.703 8.754 1.00 0.00 N ATOM 0 HA LYS A 11 -8.589 -4.313 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.161 -2.363 4.230 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.378 -3.147 3.242 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.086 -3.292 5.586 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.671 -4.906 5.042 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.468 -4.779 6.123 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.696 -3.083 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.590 -3.612 7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -10.552 -5.297 7.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.431 -4.964 9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -8.318 -5.488 8.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.355 -3.856 8.924 1.00 0.00 H new ATOM 176 N MET A 12 -6.255 -3.726 2.791 1.00 0.00 N ATOM 177 CA MET A 12 -4.884 -3.232 3.044 1.00 0.00 C ATOM 178 C MET A 12 -4.881 -1.712 3.227 1.00 0.00 C ATOM 179 O MET A 12 -5.761 -1.022 2.745 1.00 0.00 O ATOM 180 CB MET A 12 -4.018 -3.585 1.814 1.00 0.00 C ATOM 181 CG MET A 12 -3.489 -5.016 1.948 1.00 0.00 C ATOM 182 SD MET A 12 -2.753 -5.756 0.473 1.00 0.00 S ATOM 183 CE MET A 12 -1.945 -4.256 -0.139 1.00 0.00 C ATOM 0 H MET A 12 -6.445 -4.018 1.832 1.00 0.00 H new ATOM 0 HA MET A 12 -4.494 -3.693 3.951 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.608 -3.489 0.902 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.186 -2.886 1.730 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.743 -5.029 2.743 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.312 -5.653 2.273 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.150 -4.528 -0.833 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.677 -3.632 -0.653 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.522 -3.703 0.699 1.00 0.00 H new ATOM 193 N SER A 13 -3.883 -1.223 3.921 1.00 0.00 N ATOM 194 CA SER A 13 -3.787 0.242 4.155 1.00 0.00 C ATOM 195 C SER A 13 -3.153 0.925 2.954 1.00 0.00 C ATOM 196 O SER A 13 -2.577 0.271 2.107 1.00 0.00 O ATOM 197 CB SER A 13 -2.893 0.473 5.384 1.00 0.00 C ATOM 198 OG SER A 13 -3.498 -0.307 6.402 1.00 0.00 O ATOM 0 H SER A 13 -3.133 -1.779 4.333 1.00 0.00 H new ATOM 0 HA SER A 13 -4.784 0.654 4.313 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.867 0.157 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.856 1.527 5.658 1.00 0.00 H new ATOM 0 HG SER A 13 -2.984 -0.218 7.232 1.00 0.00 H new ATOM 204 N SER A 14 -3.265 2.225 2.894 1.00 0.00 N ATOM 205 CA SER A 14 -2.670 2.948 1.753 1.00 0.00 C ATOM 206 C SER A 14 -1.192 2.639 1.661 1.00 0.00 C ATOM 207 O SER A 14 -0.630 2.564 0.588 1.00 0.00 O ATOM 208 CB SER A 14 -2.856 4.457 1.992 1.00 0.00 C ATOM 209 OG SER A 14 -4.089 4.544 2.687 1.00 0.00 O ATOM 0 H SER A 14 -3.740 2.807 3.584 1.00 0.00 H new ATOM 0 HA SER A 14 -3.154 2.642 0.826 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.037 4.872 2.579 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.887 5.009 1.053 1.00 0.00 H new ATOM 0 HG SER A 14 -3.923 4.809 3.616 1.00 0.00 H new ATOM 215 N TYR A 15 -0.593 2.462 2.796 1.00 0.00 N ATOM 216 CA TYR A 15 0.840 2.157 2.810 1.00 0.00 C ATOM 217 C TYR A 15 1.042 0.752 2.299 1.00 0.00 C ATOM 218 O TYR A 15 1.835 0.507 1.417 1.00 0.00 O ATOM 219 CB TYR A 15 1.350 2.233 4.276 1.00 0.00 C ATOM 220 CG TYR A 15 2.715 1.524 4.399 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.691 1.681 3.424 1.00 0.00 C ATOM 222 CD2 TYR A 15 2.967 0.685 5.458 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.882 1.007 3.517 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.164 0.012 5.546 1.00 0.00 C ATOM 225 CZ TYR A 15 5.126 0.167 4.575 1.00 0.00 C ATOM 226 OH TYR A 15 6.299 -0.524 4.647 1.00 0.00 O ATOM 0 H TYR A 15 -1.040 2.517 3.711 1.00 0.00 H new ATOM 0 HA TYR A 15 1.382 2.866 2.184 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.443 3.275 4.583 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.627 1.767 4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.511 2.339 2.586 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.220 0.553 6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.633 1.138 2.752 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.350 -0.643 6.384 1.00 0.00 H new ATOM 0 HH TYR A 15 6.183 -1.408 4.241 1.00 0.00 H new ATOM 236 N ALA A 16 0.320 -0.150 2.886 1.00 0.00 N ATOM 237 CA ALA A 16 0.438 -1.547 2.465 1.00 0.00 C ATOM 238 C ALA A 16 0.194 -1.670 0.970 1.00 0.00 C ATOM 239 O ALA A 16 0.729 -2.548 0.322 1.00 0.00 O ATOM 240 CB ALA A 16 -0.608 -2.373 3.221 1.00 0.00 C ATOM 0 H ALA A 16 -0.345 0.028 3.639 1.00 0.00 H new ATOM 0 HA ALA A 16 1.442 -1.910 2.685 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.534 -3.418 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.430 -2.292 4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.605 -1.998 2.989 1.00 0.00 H new ATOM 246 N PHE A 17 -0.594 -0.771 0.433 1.00 0.00 N ATOM 247 CA PHE A 17 -0.868 -0.840 -1.021 1.00 0.00 C ATOM 248 C PHE A 17 0.386 -0.460 -1.775 1.00 0.00 C ATOM 249 O PHE A 17 0.676 -0.986 -2.834 1.00 0.00 O ATOM 250 CB PHE A 17 -2.028 0.164 -1.356 1.00 0.00 C ATOM 251 CG PHE A 17 -3.318 -0.602 -1.702 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.546 -1.041 -2.996 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.278 -0.841 -0.734 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.715 -1.705 -3.313 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.443 -1.507 -1.057 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.660 -1.935 -2.344 1.00 0.00 C ATOM 0 H PHE A 17 -1.049 -0.008 0.934 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.165 -1.848 -1.311 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.205 0.822 -0.505 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.738 0.798 -2.194 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.805 -0.863 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.115 -0.505 0.279 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.886 -2.044 -4.324 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.186 -1.692 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.574 -2.453 -2.594 1.00 0.00 H new ATOM 266 N PHE A 18 1.113 0.441 -1.199 1.00 0.00 N ATOM 267 CA PHE A 18 2.362 0.891 -1.840 1.00 0.00 C ATOM 268 C PHE A 18 3.446 -0.148 -1.612 1.00 0.00 C ATOM 269 O PHE A 18 4.469 -0.127 -2.268 1.00 0.00 O ATOM 270 CB PHE A 18 2.765 2.261 -1.223 1.00 0.00 C ATOM 271 CG PHE A 18 4.268 2.525 -1.389 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.180 2.000 -0.486 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.730 3.320 -2.422 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.527 2.271 -0.619 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.075 3.587 -2.552 1.00 0.00 C ATOM 276 CZ PHE A 18 6.970 3.065 -1.651 1.00 0.00 C ATOM 0 H PHE A 18 0.894 0.887 -0.308 1.00 0.00 H new ATOM 0 HA PHE A 18 2.224 1.010 -2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.198 3.059 -1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.505 2.276 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.835 1.376 0.325 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.030 3.735 -3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.233 1.860 0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.426 4.207 -3.363 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.024 3.278 -1.753 1.00 0.00 H new ATOM 286 N VAL A 19 3.199 -1.054 -0.666 1.00 0.00 N ATOM 287 CA VAL A 19 4.201 -2.107 -0.383 1.00 0.00 C ATOM 288 C VAL A 19 4.028 -3.232 -1.335 1.00 0.00 C ATOM 289 O VAL A 19 4.983 -3.702 -1.867 1.00 0.00 O ATOM 290 CB VAL A 19 4.047 -2.640 1.067 1.00 0.00 C ATOM 291 CG1 VAL A 19 4.976 -3.872 1.251 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.463 -1.525 2.065 1.00 0.00 C ATOM 0 H VAL A 19 2.353 -1.091 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 19 5.194 -1.672 -0.496 1.00 0.00 H new ATOM 0 HB VAL A 19 3.012 -2.928 1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.876 -4.255 2.267 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.694 -4.649 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.010 -3.577 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.357 -1.892 3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.501 -1.245 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.823 -0.654 1.925 1.00 0.00 H new ATOM 302 N GLN A 20 2.810 -3.675 -1.535 1.00 0.00 N ATOM 303 CA GLN A 20 2.642 -4.789 -2.480 1.00 0.00 C ATOM 304 C GLN A 20 3.130 -4.331 -3.819 1.00 0.00 C ATOM 305 O GLN A 20 3.499 -5.118 -4.668 1.00 0.00 O ATOM 306 CB GLN A 20 1.154 -5.238 -2.557 1.00 0.00 C ATOM 307 CG GLN A 20 0.270 -4.152 -3.197 1.00 0.00 C ATOM 308 CD GLN A 20 -1.049 -4.781 -3.653 1.00 0.00 C ATOM 309 OE1 GLN A 20 -1.513 -5.759 -3.102 1.00 0.00 O ATOM 310 NE2 GLN A 20 -1.673 -4.257 -4.663 1.00 0.00 N ATOM 0 H GLN A 20 1.961 -3.320 -1.096 1.00 0.00 H new ATOM 0 HA GLN A 20 3.217 -5.652 -2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.080 -6.158 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.788 -5.463 -1.555 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.077 -3.354 -2.480 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.784 -3.701 -4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.288 -3.436 -5.130 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.548 -4.666 -4.990 1.00 0.00 H new ATOM 319 N THR A 21 3.120 -3.030 -3.978 1.00 0.00 N ATOM 320 CA THR A 21 3.577 -2.445 -5.243 1.00 0.00 C ATOM 321 C THR A 21 5.084 -2.432 -5.252 1.00 0.00 C ATOM 322 O THR A 21 5.704 -2.524 -6.295 1.00 0.00 O ATOM 323 CB THR A 21 3.048 -1.014 -5.330 1.00 0.00 C ATOM 324 OG1 THR A 21 1.641 -1.139 -5.353 1.00 0.00 O ATOM 325 CG2 THR A 21 3.400 -0.390 -6.675 1.00 0.00 C ATOM 0 H THR A 21 2.811 -2.359 -3.275 1.00 0.00 H new ATOM 0 HA THR A 21 3.214 -3.025 -6.092 1.00 0.00 H new ATOM 0 HB THR A 21 3.454 -0.417 -4.513 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.282 -0.958 -4.459 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.014 0.629 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.483 -0.373 -6.796 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.955 -0.979 -7.477 1.00 0.00 H new ATOM 333 N SER A 22 5.649 -2.319 -4.067 1.00 0.00 N ATOM 334 CA SER A 22 7.131 -2.298 -3.948 1.00 0.00 C ATOM 335 C SER A 22 7.646 -3.716 -3.819 1.00 0.00 C ATOM 336 O SER A 22 8.803 -3.974 -4.022 1.00 0.00 O ATOM 337 CB SER A 22 7.505 -1.525 -2.672 1.00 0.00 C ATOM 338 OG SER A 22 8.923 -1.468 -2.705 1.00 0.00 O ATOM 0 H SER A 22 5.142 -2.241 -3.186 1.00 0.00 H new ATOM 0 HA SER A 22 7.567 -1.826 -4.828 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.066 -0.527 -2.667 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.147 -2.035 -1.778 1.00 0.00 H new ATOM 0 HG SER A 22 9.273 -2.279 -3.129 1.00 0.00 H new ATOM 344 N ARG A 23 6.744 -4.609 -3.495 1.00 0.00 N ATOM 345 CA ARG A 23 7.101 -6.047 -3.330 1.00 0.00 C ATOM 346 C ARG A 23 7.401 -6.706 -4.657 1.00 0.00 C ATOM 347 O ARG A 23 8.458 -7.272 -4.840 1.00 0.00 O ATOM 348 CB ARG A 23 5.892 -6.743 -2.674 1.00 0.00 C ATOM 349 CG ARG A 23 6.294 -8.128 -2.115 1.00 0.00 C ATOM 350 CD ARG A 23 5.349 -8.506 -0.948 1.00 0.00 C ATOM 351 NE ARG A 23 5.249 -9.993 -0.869 1.00 0.00 N ATOM 352 CZ ARG A 23 4.588 -10.640 -1.789 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.031 -9.965 -2.759 1.00 0.00 N ATOM 354 NH2 ARG A 23 4.505 -11.941 -1.710 1.00 0.00 N ATOM 0 H ARG A 23 5.759 -4.396 -3.336 1.00 0.00 H new ATOM 0 HA ARG A 23 7.999 -6.131 -2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.500 -6.121 -1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.092 -6.859 -3.405 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.237 -8.880 -2.902 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.327 -8.107 -1.768 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.730 -8.103 -0.009 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.363 -8.070 -1.105 1.00 0.00 H new ATOM 0 HE ARG A 23 5.693 -10.499 -0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.117 -8.949 -2.788 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.510 -10.454 -3.487 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.953 -12.435 -0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.992 -12.463 -2.420 1.00 0.00 H new ATOM 368 N GLU A 24 6.472 -6.641 -5.550 1.00 0.00 N ATOM 369 CA GLU A 24 6.707 -7.266 -6.871 1.00 0.00 C ATOM 370 C GLU A 24 7.937 -6.655 -7.508 1.00 0.00 C ATOM 371 O GLU A 24 8.658 -7.303 -8.243 1.00 0.00 O ATOM 372 CB GLU A 24 5.491 -6.996 -7.771 1.00 0.00 C ATOM 373 CG GLU A 24 5.268 -5.485 -7.878 1.00 0.00 C ATOM 374 CD GLU A 24 3.988 -5.220 -8.669 1.00 0.00 C ATOM 375 OE1 GLU A 24 3.900 -5.772 -9.753 1.00 0.00 O ATOM 376 OE2 GLU A 24 3.172 -4.481 -8.146 1.00 0.00 O ATOM 0 H GLU A 24 5.566 -6.188 -5.429 1.00 0.00 H new ATOM 0 HA GLU A 24 6.854 -8.339 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.655 -7.422 -8.761 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.605 -7.478 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.193 -5.045 -6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.118 -5.014 -8.371 1.00 0.00 H new ATOM 383 N GLU A 25 8.154 -5.406 -7.204 1.00 0.00 N ATOM 384 CA GLU A 25 9.315 -4.704 -7.758 1.00 0.00 C ATOM 385 C GLU A 25 10.594 -5.173 -7.060 1.00 0.00 C ATOM 386 O GLU A 25 11.679 -5.071 -7.606 1.00 0.00 O ATOM 387 CB GLU A 25 9.101 -3.184 -7.516 1.00 0.00 C ATOM 388 CG GLU A 25 8.335 -2.584 -8.699 1.00 0.00 C ATOM 389 CD GLU A 25 8.178 -1.077 -8.491 1.00 0.00 C ATOM 390 OE1 GLU A 25 7.902 -0.713 -7.360 1.00 0.00 O ATOM 391 OE2 GLU A 25 8.343 -0.375 -9.474 1.00 0.00 O ATOM 0 H GLU A 25 7.563 -4.847 -6.588 1.00 0.00 H new ATOM 0 HA GLU A 25 9.417 -4.911 -8.823 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.546 -3.026 -6.591 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.063 -2.684 -7.400 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.869 -2.780 -9.629 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.356 -3.054 -8.788 1.00 0.00 H new ATOM 398 N HIS A 26 10.420 -5.679 -5.859 1.00 0.00 N ATOM 399 CA HIS A 26 11.583 -6.182 -5.056 1.00 0.00 C ATOM 400 C HIS A 26 11.763 -7.689 -5.290 1.00 0.00 C ATOM 401 O HIS A 26 12.807 -8.239 -5.047 1.00 0.00 O ATOM 402 CB HIS A 26 11.256 -5.890 -3.546 1.00 0.00 C ATOM 403 CG HIS A 26 11.833 -6.958 -2.603 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.668 -6.743 -1.700 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.514 -8.292 -2.497 1.00 0.00 C ATOM 406 CE1 HIS A 26 12.905 -7.795 -1.032 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.215 -8.834 -1.471 1.00 0.00 N ATOM 0 H HIS A 26 9.514 -5.765 -5.398 1.00 0.00 H new ATOM 0 HA HIS A 26 12.510 -5.689 -5.348 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.657 -4.914 -3.273 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.175 -5.839 -3.415 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.104 -5.838 -1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 26 10.817 -8.822 -3.129 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.592 -7.837 -0.200 1.00 0.00 H new ATOM 415 N LYS A 27 10.747 -8.315 -5.784 1.00 0.00 N ATOM 416 CA LYS A 27 10.845 -9.769 -6.030 1.00 0.00 C ATOM 417 C LYS A 27 12.010 -10.099 -6.961 1.00 0.00 C ATOM 418 O LYS A 27 12.743 -11.042 -6.730 1.00 0.00 O ATOM 419 CB LYS A 27 9.535 -10.230 -6.693 1.00 0.00 C ATOM 420 CG LYS A 27 9.659 -11.706 -7.095 1.00 0.00 C ATOM 421 CD LYS A 27 8.258 -12.283 -7.376 1.00 0.00 C ATOM 422 CE LYS A 27 7.460 -12.438 -6.058 1.00 0.00 C ATOM 423 NZ LYS A 27 6.489 -13.559 -6.177 1.00 0.00 N ATOM 0 H LYS A 27 9.854 -7.886 -6.028 1.00 0.00 H new ATOM 0 HA LYS A 27 11.013 -10.278 -5.081 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.700 -10.098 -6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.324 -9.619 -7.571 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.287 -11.801 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.143 -12.271 -6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.719 -11.627 -8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.349 -13.251 -7.869 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.144 -12.625 -5.230 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.932 -11.512 -5.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.959 -13.655 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.827 -13.364 -6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.001 -14.443 -6.371 1.00 0.00 H new ATOM 437 N LYS A 28 12.158 -9.314 -7.991 1.00 0.00 N ATOM 438 CA LYS A 28 13.268 -9.561 -8.958 1.00 0.00 C ATOM 439 C LYS A 28 14.604 -8.995 -8.467 1.00 0.00 C ATOM 440 O LYS A 28 15.650 -9.473 -8.863 1.00 0.00 O ATOM 441 CB LYS A 28 12.909 -8.864 -10.279 1.00 0.00 C ATOM 442 CG LYS A 28 11.504 -9.314 -10.719 1.00 0.00 C ATOM 443 CD LYS A 28 11.229 -8.841 -12.172 1.00 0.00 C ATOM 444 CE LYS A 28 11.743 -9.893 -13.170 1.00 0.00 C ATOM 445 NZ LYS A 28 10.948 -11.148 -13.055 1.00 0.00 N ATOM 0 H LYS A 28 11.562 -8.515 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 28 13.383 -10.639 -9.076 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.935 -7.782 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.641 -9.113 -11.047 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.425 -10.400 -10.659 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.753 -8.902 -10.045 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.160 -8.682 -12.316 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.721 -7.885 -12.352 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.676 -9.504 -14.186 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.795 -10.102 -12.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.948 -11.644 -13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.370 -11.761 -12.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.970 -10.916 -12.787 1.00 0.00 H new ATOM 459 N LYS A 29 14.539 -7.993 -7.600 1.00 0.00 N ATOM 460 CA LYS A 29 15.796 -7.365 -7.062 1.00 0.00 C ATOM 461 C LYS A 29 16.212 -8.000 -5.710 1.00 0.00 C ATOM 462 O LYS A 29 17.206 -7.614 -5.125 1.00 0.00 O ATOM 463 CB LYS A 29 15.524 -5.837 -6.920 1.00 0.00 C ATOM 464 CG LYS A 29 16.747 -5.127 -6.288 1.00 0.00 C ATOM 465 CD LYS A 29 16.764 -3.636 -6.712 1.00 0.00 C ATOM 466 CE LYS A 29 17.372 -3.487 -8.125 1.00 0.00 C ATOM 467 NZ LYS A 29 17.678 -2.058 -8.410 1.00 0.00 N ATOM 0 H LYS A 29 13.671 -7.589 -7.247 1.00 0.00 H new ATOM 0 HA LYS A 29 16.630 -7.538 -7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 29 15.311 -5.407 -7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.641 -5.674 -6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.704 -5.205 -5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.668 -5.616 -6.606 1.00 0.00 H new ATOM 0 HD2 LYS A 29 15.750 -3.236 -6.701 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.344 -3.054 -5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 29 18.282 -4.083 -8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.676 -3.872 -8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 18.086 -1.974 -9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 16.803 -1.498 -8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 18.359 -1.702 -7.709 1.00 0.00 H new ATOM 481 N HIS A 30 15.434 -8.975 -5.257 1.00 0.00 N ATOM 482 CA HIS A 30 15.749 -9.669 -3.954 1.00 0.00 C ATOM 483 C HIS A 30 15.293 -11.145 -4.017 1.00 0.00 C ATOM 484 O HIS A 30 14.423 -11.555 -3.274 1.00 0.00 O ATOM 485 CB HIS A 30 14.951 -9.021 -2.808 1.00 0.00 C ATOM 486 CG HIS A 30 15.287 -7.536 -2.634 1.00 0.00 C ATOM 487 ND1 HIS A 30 15.871 -7.053 -1.644 1.00 0.00 N ATOM 488 CD2 HIS A 30 14.952 -6.462 -3.417 1.00 0.00 C ATOM 489 CE1 HIS A 30 15.938 -5.790 -1.716 1.00 0.00 C ATOM 490 NE2 HIS A 30 15.379 -5.317 -2.822 1.00 0.00 N ATOM 0 H HIS A 30 14.599 -9.316 -5.734 1.00 0.00 H new ATOM 0 HA HIS A 30 16.823 -9.591 -3.786 1.00 0.00 H new ATOM 0 HB2 HIS A 30 13.884 -9.130 -3.004 1.00 0.00 H new ATOM 0 HB3 HIS A 30 15.160 -9.550 -1.878 1.00 0.00 H new ATOM 0 HD2 HIS A 30 14.430 -6.517 -4.361 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.398 -5.169 -0.962 1.00 0.00 H new ATOM 0 HE2 HIS A 30 15.293 -4.352 -3.141 1.00 0.00 H new ATOM 498 N PRO A 31 15.895 -11.922 -4.904 1.00 0.00 N ATOM 499 CA PRO A 31 15.529 -13.339 -5.041 1.00 0.00 C ATOM 500 C PRO A 31 15.872 -14.160 -3.787 1.00 0.00 C ATOM 501 O PRO A 31 15.273 -15.189 -3.536 1.00 0.00 O ATOM 502 CB PRO A 31 16.362 -13.848 -6.266 1.00 0.00 C ATOM 503 CG PRO A 31 17.303 -12.672 -6.706 1.00 0.00 C ATOM 504 CD PRO A 31 16.958 -11.450 -5.814 1.00 0.00 C ATOM 0 HA PRO A 31 14.453 -13.452 -5.177 1.00 0.00 H new ATOM 0 HB2 PRO A 31 16.946 -14.728 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 31 15.704 -14.141 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 31 18.350 -12.952 -6.587 1.00 0.00 H new ATOM 0 HG3 PRO A 31 17.154 -12.434 -7.759 1.00 0.00 H new ATOM 0 HD2 PRO A 31 17.831 -11.110 -5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 31 16.616 -10.608 -6.415 1.00 0.00 H new ATOM 512 N ASP A 32 16.817 -13.684 -3.032 1.00 0.00 N ATOM 513 CA ASP A 32 17.223 -14.419 -1.788 1.00 0.00 C ATOM 514 C ASP A 32 16.303 -14.121 -0.612 1.00 0.00 C ATOM 515 O ASP A 32 15.941 -15.008 0.137 1.00 0.00 O ATOM 516 CB ASP A 32 18.643 -13.971 -1.416 1.00 0.00 C ATOM 517 CG ASP A 32 19.609 -14.323 -2.552 1.00 0.00 C ATOM 518 OD1 ASP A 32 19.128 -14.902 -3.513 1.00 0.00 O ATOM 519 OD2 ASP A 32 20.771 -13.994 -2.395 1.00 0.00 O ATOM 0 H ASP A 32 17.330 -12.821 -3.214 1.00 0.00 H new ATOM 0 HA ASP A 32 17.168 -15.488 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.659 -12.897 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.958 -14.458 -0.493 1.00 0.00 H new ATOM 524 N ALA A 33 15.948 -12.891 -0.471 1.00 0.00 N ATOM 525 CA ALA A 33 15.057 -12.507 0.650 1.00 0.00 C ATOM 526 C ALA A 33 13.771 -13.332 0.676 1.00 0.00 C ATOM 527 O ALA A 33 13.327 -13.751 1.728 1.00 0.00 O ATOM 528 CB ALA A 33 14.684 -11.024 0.489 1.00 0.00 C ATOM 0 H ALA A 33 16.234 -12.127 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 33 15.591 -12.690 1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.028 -10.723 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 33 15.589 -10.417 0.508 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.170 -10.879 -0.461 1.00 0.00 H new ATOM 534 N SER A 34 13.191 -13.547 -0.477 1.00 0.00 N ATOM 535 CA SER A 34 11.928 -14.345 -0.532 1.00 0.00 C ATOM 536 C SER A 34 10.801 -13.600 0.187 1.00 0.00 C ATOM 537 O SER A 34 9.667 -14.024 0.174 1.00 0.00 O ATOM 538 CB SER A 34 12.166 -15.714 0.159 1.00 0.00 C ATOM 539 OG SER A 34 11.534 -16.655 -0.700 1.00 0.00 O ATOM 0 H SER A 34 13.533 -13.208 -1.376 1.00 0.00 H new ATOM 0 HA SER A 34 11.642 -14.496 -1.573 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.230 -15.926 0.267 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.734 -15.735 1.159 1.00 0.00 H new ATOM 0 HG SER A 34 11.641 -17.557 -0.332 1.00 0.00 H new ATOM 545 N VAL A 35 11.159 -12.503 0.795 1.00 0.00 N ATOM 546 CA VAL A 35 10.174 -11.677 1.530 1.00 0.00 C ATOM 547 C VAL A 35 9.284 -12.483 2.467 1.00 0.00 C ATOM 548 O VAL A 35 8.206 -12.909 2.097 1.00 0.00 O ATOM 549 CB VAL A 35 9.292 -10.967 0.502 1.00 0.00 C ATOM 550 CG1 VAL A 35 8.254 -10.077 1.226 1.00 0.00 C ATOM 551 CG2 VAL A 35 10.177 -10.104 -0.368 1.00 0.00 C ATOM 0 H VAL A 35 12.113 -12.142 0.811 1.00 0.00 H new ATOM 0 HA VAL A 35 10.732 -10.977 2.152 1.00 0.00 H new ATOM 0 HB VAL A 35 8.763 -11.701 -0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.629 -9.574 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.629 -10.697 1.869 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.772 -9.333 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.567 -9.588 -1.109 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.692 -9.370 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.911 -10.730 -0.875 1.00 0.00 H new ATOM 561 N ASN A 36 9.749 -12.682 3.669 1.00 0.00 N ATOM 562 CA ASN A 36 8.934 -13.449 4.634 1.00 0.00 C ATOM 563 C ASN A 36 7.860 -12.513 5.142 1.00 0.00 C ATOM 564 O ASN A 36 7.069 -12.844 6.001 1.00 0.00 O ATOM 565 CB ASN A 36 9.831 -13.870 5.808 1.00 0.00 C ATOM 566 CG ASN A 36 11.080 -14.567 5.265 1.00 0.00 C ATOM 567 OD1 ASN A 36 11.137 -14.954 4.115 1.00 0.00 O ATOM 568 ND2 ASN A 36 12.100 -14.747 6.058 1.00 0.00 N ATOM 0 H ASN A 36 10.648 -12.349 4.016 1.00 0.00 H new ATOM 0 HA ASN A 36 8.497 -14.336 4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.114 -12.997 6.396 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.287 -14.540 6.474 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.940 -15.211 5.711 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.058 -14.424 7.025 1.00 0.00 H new ATOM 575 N PHE A 37 7.882 -11.335 4.574 1.00 0.00 N ATOM 576 CA PHE A 37 6.914 -10.280 4.937 1.00 0.00 C ATOM 577 C PHE A 37 7.216 -9.743 6.328 1.00 0.00 C ATOM 578 O PHE A 37 6.819 -8.646 6.671 1.00 0.00 O ATOM 579 CB PHE A 37 5.451 -10.838 4.853 1.00 0.00 C ATOM 580 CG PHE A 37 4.603 -9.851 4.032 1.00 0.00 C ATOM 581 CD1 PHE A 37 4.096 -8.703 4.620 1.00 0.00 C ATOM 582 CD2 PHE A 37 4.422 -10.042 2.673 1.00 0.00 C ATOM 583 CE1 PHE A 37 3.432 -7.762 3.860 1.00 0.00 C ATOM 584 CE2 PHE A 37 3.758 -9.098 1.915 1.00 0.00 C ATOM 585 CZ PHE A 37 3.266 -7.960 2.507 1.00 0.00 C ATOM 0 H PHE A 37 8.552 -11.062 3.855 1.00 0.00 H new ATOM 0 HA PHE A 37 7.005 -9.455 4.230 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.447 -11.823 4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 37 5.033 -10.958 5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 37 4.222 -8.544 5.681 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.803 -10.936 2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.042 -6.869 4.326 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.625 -9.255 0.855 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.750 -7.221 1.912 1.00 0.00 H new ATOM 595 N SER A 38 7.928 -10.529 7.098 1.00 0.00 N ATOM 596 CA SER A 38 8.288 -10.108 8.472 1.00 0.00 C ATOM 597 C SER A 38 9.603 -9.344 8.416 1.00 0.00 C ATOM 598 O SER A 38 10.106 -8.884 9.421 1.00 0.00 O ATOM 599 CB SER A 38 8.478 -11.370 9.332 1.00 0.00 C ATOM 600 OG SER A 38 7.347 -12.174 9.022 1.00 0.00 O ATOM 0 H SER A 38 8.274 -11.449 6.825 1.00 0.00 H new ATOM 0 HA SER A 38 7.508 -9.477 8.897 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.409 -11.881 9.089 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.515 -11.127 10.394 1.00 0.00 H new ATOM 0 HG SER A 38 7.390 -13.010 9.532 1.00 0.00 H new ATOM 606 N GLU A 39 10.130 -9.239 7.208 1.00 0.00 N ATOM 607 CA GLU A 39 11.418 -8.518 6.999 1.00 0.00 C ATOM 608 C GLU A 39 11.472 -7.920 5.596 1.00 0.00 C ATOM 609 O GLU A 39 12.308 -8.291 4.794 1.00 0.00 O ATOM 610 CB GLU A 39 12.566 -9.525 7.122 1.00 0.00 C ATOM 611 CG GLU A 39 12.623 -10.069 8.553 1.00 0.00 C ATOM 612 CD GLU A 39 13.921 -10.854 8.746 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.093 -11.807 8.002 1.00 0.00 O ATOM 614 OE2 GLU A 39 14.666 -10.460 9.627 1.00 0.00 O ATOM 0 H GLU A 39 9.714 -9.627 6.361 1.00 0.00 H new ATOM 0 HA GLU A 39 11.502 -7.723 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.422 -10.344 6.417 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.511 -9.047 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.572 -9.248 9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.764 -10.712 8.744 1.00 0.00 H new ATOM 621 N PHE A 40 10.576 -7.007 5.326 1.00 0.00 N ATOM 622 CA PHE A 40 10.550 -6.366 3.990 1.00 0.00 C ATOM 623 C PHE A 40 9.862 -5.022 4.080 1.00 0.00 C ATOM 624 O PHE A 40 10.385 -4.037 3.620 1.00 0.00 O ATOM 625 CB PHE A 40 9.787 -7.281 3.014 1.00 0.00 C ATOM 626 CG PHE A 40 9.573 -6.534 1.697 1.00 0.00 C ATOM 627 CD1 PHE A 40 10.656 -6.044 0.989 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.296 -6.291 1.226 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.464 -5.323 -0.160 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.105 -5.571 0.076 1.00 0.00 C ATOM 631 CZ PHE A 40 9.190 -5.083 -0.621 1.00 0.00 C ATOM 0 H PHE A 40 9.862 -6.681 5.978 1.00 0.00 H new ATOM 0 HA PHE A 40 11.569 -6.215 3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.350 -8.198 2.840 1.00 0.00 H new ATOM 0 HB3 PHE A 40 8.828 -7.572 3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 40 11.659 -6.231 1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.443 -6.671 1.768 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.315 -4.942 -0.705 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.104 -5.386 -0.285 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.040 -4.514 -1.527 1.00 0.00 H new ATOM 641 N SER A 41 8.678 -5.011 4.624 1.00 0.00 N ATOM 642 CA SER A 41 7.958 -3.731 4.750 1.00 0.00 C ATOM 643 C SER A 41 8.833 -2.741 5.497 1.00 0.00 C ATOM 644 O SER A 41 8.554 -1.572 5.539 1.00 0.00 O ATOM 645 CB SER A 41 6.670 -3.972 5.551 1.00 0.00 C ATOM 646 OG SER A 41 7.127 -4.470 6.800 1.00 0.00 O ATOM 0 H SER A 41 8.187 -5.830 4.982 1.00 0.00 H new ATOM 0 HA SER A 41 7.718 -3.335 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.099 -3.052 5.674 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.018 -4.688 5.051 1.00 0.00 H new ATOM 0 HG SER A 41 6.359 -4.651 7.381 1.00 0.00 H new ATOM 652 N LYS A 42 9.885 -3.233 6.089 1.00 0.00 N ATOM 653 CA LYS A 42 10.765 -2.318 6.820 1.00 0.00 C ATOM 654 C LYS A 42 11.367 -1.330 5.822 1.00 0.00 C ATOM 655 O LYS A 42 11.552 -0.161 6.114 1.00 0.00 O ATOM 656 CB LYS A 42 11.895 -3.158 7.498 1.00 0.00 C ATOM 657 CG LYS A 42 12.294 -2.525 8.874 1.00 0.00 C ATOM 658 CD LYS A 42 11.563 -3.246 10.030 1.00 0.00 C ATOM 659 CE LYS A 42 10.061 -2.957 9.949 1.00 0.00 C ATOM 660 NZ LYS A 42 9.370 -3.454 11.172 1.00 0.00 N ATOM 0 H LYS A 42 10.160 -4.215 6.092 1.00 0.00 H new ATOM 0 HA LYS A 42 10.215 -1.769 7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.556 -4.183 7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.766 -3.202 6.844 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.372 -2.597 9.016 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.042 -1.465 8.881 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.740 -4.320 9.972 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.957 -2.909 10.989 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.896 -1.885 9.840 1.00 0.00 H new ATOM 0 HE3 LYS A 42 9.639 -3.436 9.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.352 -3.251 11.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.513 -4.480 11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.762 -2.978 12.010 1.00 0.00 H new ATOM 674 N LYS A 43 11.647 -1.836 4.646 1.00 0.00 N ATOM 675 CA LYS A 43 12.231 -0.989 3.593 1.00 0.00 C ATOM 676 C LYS A 43 11.161 -0.113 2.936 1.00 0.00 C ATOM 677 O LYS A 43 11.328 1.084 2.826 1.00 0.00 O ATOM 678 CB LYS A 43 12.853 -1.928 2.508 1.00 0.00 C ATOM 679 CG LYS A 43 14.356 -2.116 2.782 1.00 0.00 C ATOM 680 CD LYS A 43 14.844 -3.390 2.080 1.00 0.00 C ATOM 681 CE LYS A 43 16.370 -3.450 2.149 1.00 0.00 C ATOM 682 NZ LYS A 43 16.975 -2.373 1.316 1.00 0.00 N ATOM 0 H LYS A 43 11.490 -2.808 4.381 1.00 0.00 H new ATOM 0 HA LYS A 43 12.985 -0.337 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.348 -2.894 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 43 12.705 -1.501 1.516 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.914 -1.252 2.421 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.536 -2.187 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.412 -4.270 2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.515 -3.396 1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.697 -3.344 3.183 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.717 -4.423 1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 17.951 -2.633 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.417 -2.251 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.980 -1.482 1.852 1.00 0.00 H new ATOM 696 N CYS A 44 10.072 -0.721 2.523 1.00 0.00 N ATOM 697 CA CYS A 44 9.014 0.072 1.883 1.00 0.00 C ATOM 698 C CYS A 44 8.513 1.169 2.811 1.00 0.00 C ATOM 699 O CYS A 44 8.202 2.260 2.378 1.00 0.00 O ATOM 700 CB CYS A 44 7.877 -0.876 1.514 1.00 0.00 C ATOM 701 SG CYS A 44 8.349 -2.471 0.804 1.00 0.00 S ATOM 0 H CYS A 44 9.886 -1.720 2.607 1.00 0.00 H new ATOM 0 HA CYS A 44 9.407 0.561 0.991 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.286 -1.064 2.410 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.226 -0.366 0.804 1.00 0.00 H new ATOM 0 HG CYS A 44 8.710 -3.280 1.756 1.00 0.00 H new ATOM 707 N SER A 45 8.439 0.859 4.066 1.00 0.00 N ATOM 708 CA SER A 45 7.962 1.879 5.039 1.00 0.00 C ATOM 709 C SER A 45 8.856 3.101 4.961 1.00 0.00 C ATOM 710 O SER A 45 8.387 4.218 4.872 1.00 0.00 O ATOM 711 CB SER A 45 8.045 1.285 6.466 1.00 0.00 C ATOM 712 OG SER A 45 8.012 2.418 7.323 1.00 0.00 O ATOM 0 H SER A 45 8.685 -0.048 4.463 1.00 0.00 H new ATOM 0 HA SER A 45 6.934 2.160 4.808 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.211 0.612 6.665 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.960 0.709 6.604 1.00 0.00 H new ATOM 0 HG SER A 45 8.060 2.124 8.257 1.00 0.00 H new ATOM 718 N GLU A 46 10.135 2.863 4.999 1.00 0.00 N ATOM 719 CA GLU A 46 11.085 3.988 4.927 1.00 0.00 C ATOM 720 C GLU A 46 11.029 4.621 3.543 1.00 0.00 C ATOM 721 O GLU A 46 11.589 5.677 3.317 1.00 0.00 O ATOM 722 CB GLU A 46 12.502 3.431 5.176 1.00 0.00 C ATOM 723 CG GLU A 46 13.452 4.576 5.527 1.00 0.00 C ATOM 724 CD GLU A 46 14.770 3.994 6.035 1.00 0.00 C ATOM 725 OE1 GLU A 46 14.710 3.333 7.060 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.763 4.243 5.372 1.00 0.00 O ATOM 0 H GLU A 46 10.557 1.938 5.077 1.00 0.00 H new ATOM 0 HA GLU A 46 10.832 4.743 5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.480 2.703 5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.859 2.909 4.288 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.629 5.200 4.651 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.005 5.215 6.288 1.00 0.00 H new ATOM 733 N ARG A 47 10.333 3.938 2.644 1.00 0.00 N ATOM 734 CA ARG A 47 10.185 4.421 1.238 1.00 0.00 C ATOM 735 C ARG A 47 8.792 5.024 1.004 1.00 0.00 C ATOM 736 O ARG A 47 8.541 5.626 -0.023 1.00 0.00 O ATOM 737 CB ARG A 47 10.373 3.193 0.309 1.00 0.00 C ATOM 738 CG ARG A 47 10.925 3.639 -1.042 1.00 0.00 C ATOM 739 CD ARG A 47 11.237 2.398 -1.888 1.00 0.00 C ATOM 740 NE ARG A 47 12.133 2.793 -2.998 1.00 0.00 N ATOM 741 CZ ARG A 47 11.639 3.407 -4.040 1.00 0.00 C ATOM 742 NH1 ARG A 47 10.356 3.656 -4.079 1.00 0.00 N ATOM 743 NH2 ARG A 47 12.447 3.756 -4.998 1.00 0.00 N ATOM 0 H ARG A 47 9.859 3.056 2.839 1.00 0.00 H new ATOM 0 HA ARG A 47 10.923 5.197 1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.054 2.478 0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.420 2.682 0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.200 4.272 -1.555 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.826 4.236 -0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.711 1.632 -1.274 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.316 1.967 -2.281 1.00 0.00 H new ATOM 0 HE ARG A 47 13.131 2.587 -2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.758 3.372 -3.303 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.954 4.135 -4.885 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.443 3.549 -4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.084 4.236 -5.821 1.00 0.00 H new ATOM 757 N TRP A 48 7.917 4.831 1.979 1.00 0.00 N ATOM 758 CA TRP A 48 6.513 5.364 1.889 1.00 0.00 C ATOM 759 C TRP A 48 6.355 6.615 2.754 1.00 0.00 C ATOM 760 O TRP A 48 6.003 7.674 2.265 1.00 0.00 O ATOM 761 CB TRP A 48 5.599 4.232 2.414 1.00 0.00 C ATOM 762 CG TRP A 48 4.277 4.771 2.976 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.067 4.980 4.259 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.172 4.925 2.286 1.00 0.00 C ATOM 765 NE1 TRP A 48 2.756 5.256 4.327 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.113 5.238 3.110 1.00 0.00 C ATOM 767 CE3 TRP A 48 2.969 4.812 0.930 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.853 5.424 2.588 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.697 5.007 0.403 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.643 5.310 1.239 1.00 0.00 C ATOM 0 H TRP A 48 8.122 4.322 2.839 1.00 0.00 H new ATOM 0 HA TRP A 48 6.260 5.648 0.867 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.390 3.531 1.606 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.122 3.675 3.191 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.782 4.939 5.067 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.277 5.461 5.204 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.795 4.573 0.277 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.028 5.660 3.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.535 4.921 -0.661 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.346 5.457 0.831 1.00 0.00 H new ATOM 781 N LYS A 49 6.606 6.452 4.015 1.00 0.00 N ATOM 782 CA LYS A 49 6.484 7.610 4.971 1.00 0.00 C ATOM 783 C LYS A 49 7.221 8.847 4.448 1.00 0.00 C ATOM 784 O LYS A 49 7.002 9.949 4.914 1.00 0.00 O ATOM 785 CB LYS A 49 7.156 7.215 6.305 1.00 0.00 C ATOM 786 CG LYS A 49 6.341 6.123 7.008 1.00 0.00 C ATOM 787 CD LYS A 49 6.747 6.076 8.490 1.00 0.00 C ATOM 788 CE LYS A 49 6.002 4.938 9.188 1.00 0.00 C ATOM 789 NZ LYS A 49 4.552 5.253 9.297 1.00 0.00 N ATOM 0 H LYS A 49 6.892 5.570 4.440 1.00 0.00 H new ATOM 0 HA LYS A 49 5.425 7.840 5.091 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.169 6.859 6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.239 8.089 6.951 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.275 6.330 6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.520 5.156 6.537 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.823 5.928 8.578 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.515 7.026 8.972 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.138 4.011 8.631 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.421 4.777 10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.098 4.577 9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.433 6.218 9.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.110 5.184 8.358 1.00 0.00 H new ATOM 803 N THR A 50 8.068 8.626 3.489 1.00 0.00 N ATOM 804 CA THR A 50 8.855 9.739 2.893 1.00 0.00 C ATOM 805 C THR A 50 8.094 10.476 1.795 1.00 0.00 C ATOM 806 O THR A 50 8.218 11.677 1.655 1.00 0.00 O ATOM 807 CB THR A 50 10.112 9.101 2.285 1.00 0.00 C ATOM 808 OG1 THR A 50 10.499 9.923 1.192 1.00 0.00 O ATOM 809 CG2 THR A 50 9.754 7.754 1.655 1.00 0.00 C ATOM 0 H THR A 50 8.253 7.708 3.085 1.00 0.00 H new ATOM 0 HA THR A 50 9.081 10.474 3.665 1.00 0.00 H new ATOM 0 HB THR A 50 10.877 8.990 3.054 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.303 9.552 0.772 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.649 7.304 1.225 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.347 7.092 2.419 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.011 7.905 0.872 1.00 0.00 H new ATOM 817 N MET A 51 7.344 9.749 1.038 1.00 0.00 N ATOM 818 CA MET A 51 6.576 10.387 -0.054 1.00 0.00 C ATOM 819 C MET A 51 5.682 11.503 0.464 1.00 0.00 C ATOM 820 O MET A 51 5.543 11.689 1.659 1.00 0.00 O ATOM 821 CB MET A 51 5.714 9.313 -0.730 1.00 0.00 C ATOM 822 CG MET A 51 6.631 8.201 -1.264 1.00 0.00 C ATOM 823 SD MET A 51 5.939 7.058 -2.484 1.00 0.00 S ATOM 824 CE MET A 51 4.306 6.882 -1.732 1.00 0.00 C ATOM 0 H MET A 51 7.227 8.740 1.125 1.00 0.00 H new ATOM 0 HA MET A 51 7.277 10.829 -0.763 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.998 8.902 -0.019 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.138 9.750 -1.545 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.509 8.673 -1.706 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.978 7.615 -0.413 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.797 6.021 -2.165 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.414 6.737 -0.657 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.720 7.782 -1.920 1.00 0.00 H new ATOM 834 N SER A 52 5.081 12.226 -0.463 1.00 0.00 N ATOM 835 CA SER A 52 4.180 13.351 -0.079 1.00 0.00 C ATOM 836 C SER A 52 2.753 12.865 0.004 1.00 0.00 C ATOM 837 O SER A 52 2.414 11.855 -0.580 1.00 0.00 O ATOM 838 CB SER A 52 4.268 14.429 -1.172 1.00 0.00 C ATOM 839 OG SER A 52 4.088 13.709 -2.382 1.00 0.00 O ATOM 0 H SER A 52 5.181 12.078 -1.467 1.00 0.00 H new ATOM 0 HA SER A 52 4.481 13.749 0.890 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.499 15.191 -1.043 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.230 14.940 -1.151 1.00 0.00 H new ATOM 0 HG SER A 52 4.129 14.328 -3.140 1.00 0.00 H new ATOM 845 N ALA A 53 1.937 13.572 0.731 1.00 0.00 N ATOM 846 CA ALA A 53 0.538 13.139 0.838 1.00 0.00 C ATOM 847 C ALA A 53 -0.082 13.049 -0.539 1.00 0.00 C ATOM 848 O ALA A 53 -1.106 12.424 -0.726 1.00 0.00 O ATOM 849 CB ALA A 53 -0.235 14.151 1.668 1.00 0.00 C ATOM 0 H ALA A 53 2.182 14.418 1.246 1.00 0.00 H new ATOM 0 HA ALA A 53 0.501 12.159 1.313 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.275 13.835 1.751 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.205 14.217 2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.190 15.127 1.186 1.00 0.00 H new ATOM 855 N LYS A 54 0.555 13.683 -1.488 1.00 0.00 N ATOM 856 CA LYS A 54 0.021 13.645 -2.860 1.00 0.00 C ATOM 857 C LYS A 54 0.077 12.227 -3.385 1.00 0.00 C ATOM 858 O LYS A 54 -0.926 11.666 -3.792 1.00 0.00 O ATOM 859 CB LYS A 54 0.900 14.526 -3.763 1.00 0.00 C ATOM 860 CG LYS A 54 1.077 15.905 -3.130 1.00 0.00 C ATOM 861 CD LYS A 54 2.069 16.705 -3.972 1.00 0.00 C ATOM 862 CE LYS A 54 2.426 17.992 -3.237 1.00 0.00 C ATOM 863 NZ LYS A 54 3.330 18.831 -4.071 1.00 0.00 N ATOM 0 H LYS A 54 1.414 14.219 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.008 14.004 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.872 14.056 -3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.442 14.624 -4.747 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.120 16.424 -3.079 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.441 15.808 -2.107 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.967 16.115 -4.155 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.635 16.936 -4.945 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.518 18.548 -3.001 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.910 17.755 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.565 19.704 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.203 18.304 -4.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.854 19.072 -4.964 1.00 0.00 H new ATOM 877 N GLU A 55 1.255 11.657 -3.363 1.00 0.00 N ATOM 878 CA GLU A 55 1.386 10.281 -3.857 1.00 0.00 C ATOM 879 C GLU A 55 0.657 9.330 -2.928 1.00 0.00 C ATOM 880 O GLU A 55 -0.038 8.435 -3.372 1.00 0.00 O ATOM 881 CB GLU A 55 2.874 9.916 -3.885 1.00 0.00 C ATOM 882 CG GLU A 55 3.637 10.988 -4.675 1.00 0.00 C ATOM 883 CD GLU A 55 5.022 10.453 -5.051 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.810 10.298 -4.132 1.00 0.00 O ATOM 885 OE2 GLU A 55 5.215 10.232 -6.236 1.00 0.00 O ATOM 0 H GLU A 55 2.115 12.090 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 55 0.956 10.204 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.264 9.848 -2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.013 8.938 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.082 11.257 -5.574 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.735 11.895 -4.078 1.00 0.00 H new ATOM 892 N LYS A 56 0.806 9.550 -1.645 1.00 0.00 N ATOM 893 CA LYS A 56 0.122 8.662 -0.689 1.00 0.00 C ATOM 894 C LYS A 56 -1.365 8.944 -0.742 1.00 0.00 C ATOM 895 O LYS A 56 -2.161 8.270 -0.117 1.00 0.00 O ATOM 896 CB LYS A 56 0.651 8.944 0.730 1.00 0.00 C ATOM 897 CG LYS A 56 2.199 8.805 0.738 1.00 0.00 C ATOM 898 CD LYS A 56 2.817 9.523 1.986 1.00 0.00 C ATOM 899 CE LYS A 56 2.993 8.530 3.149 1.00 0.00 C ATOM 900 NZ LYS A 56 1.671 8.146 3.719 1.00 0.00 N ATOM 0 H LYS A 56 1.365 10.297 -1.234 1.00 0.00 H new ATOM 0 HA LYS A 56 0.309 7.619 -0.944 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.363 9.947 1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.208 8.247 1.441 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.474 7.750 0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.612 9.234 -0.175 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.781 9.957 1.722 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.172 10.345 2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.515 7.640 2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.613 8.978 3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.728 8.142 4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.950 8.830 3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.411 7.197 3.383 1.00 0.00 H new ATOM 914 N GLY A 57 -1.708 9.958 -1.503 1.00 0.00 N ATOM 915 CA GLY A 57 -3.137 10.337 -1.643 1.00 0.00 C ATOM 916 C GLY A 57 -3.807 9.419 -2.667 1.00 0.00 C ATOM 917 O GLY A 57 -4.962 9.064 -2.537 1.00 0.00 O ATOM 0 H GLY A 57 -1.053 10.535 -2.031 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.642 10.257 -0.680 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.220 11.376 -1.961 1.00 0.00 H new ATOM 921 N LYS A 58 -3.057 9.064 -3.678 1.00 0.00 N ATOM 922 CA LYS A 58 -3.601 8.176 -4.728 1.00 0.00 C ATOM 923 C LYS A 58 -3.636 6.735 -4.193 1.00 0.00 C ATOM 924 O LYS A 58 -4.438 5.918 -4.614 1.00 0.00 O ATOM 925 CB LYS A 58 -2.654 8.342 -5.976 1.00 0.00 C ATOM 926 CG LYS A 58 -2.393 7.007 -6.725 1.00 0.00 C ATOM 927 CD LYS A 58 -1.210 6.249 -6.071 1.00 0.00 C ATOM 928 CE LYS A 58 0.118 6.755 -6.658 1.00 0.00 C ATOM 929 NZ LYS A 58 0.194 6.458 -8.115 1.00 0.00 N ATOM 0 H LYS A 58 -2.089 9.356 -3.815 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.622 8.426 -5.015 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.097 9.059 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.702 8.760 -5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.289 6.387 -6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.171 7.207 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.222 6.399 -4.991 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.311 5.178 -6.245 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.208 7.829 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.954 6.283 -6.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.187 6.318 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.347 5.594 -8.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.205 7.254 -8.653 1.00 0.00 H new ATOM 943 N PHE A 59 -2.803 6.487 -3.226 1.00 0.00 N ATOM 944 CA PHE A 59 -2.745 5.128 -2.625 1.00 0.00 C ATOM 945 C PHE A 59 -3.842 5.037 -1.605 1.00 0.00 C ATOM 946 O PHE A 59 -4.319 3.969 -1.275 1.00 0.00 O ATOM 947 CB PHE A 59 -1.381 4.947 -1.919 1.00 0.00 C ATOM 948 CG PHE A 59 -0.317 4.515 -2.943 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.442 3.319 -3.623 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.793 5.307 -3.185 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.520 2.925 -4.524 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.753 4.910 -4.086 1.00 0.00 C ATOM 953 CZ PHE A 59 1.618 3.719 -4.756 1.00 0.00 C ATOM 0 H PHE A 59 -2.158 7.167 -2.824 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.862 4.360 -3.389 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.082 5.880 -1.442 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.466 4.199 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.301 2.689 -3.446 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.906 6.245 -2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.412 1.988 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.614 5.536 -4.267 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.372 3.407 -5.463 1.00 0.00 H new ATOM 963 N GLU A 60 -4.224 6.185 -1.121 1.00 0.00 N ATOM 964 CA GLU A 60 -5.287 6.239 -0.122 1.00 0.00 C ATOM 965 C GLU A 60 -6.590 5.984 -0.830 1.00 0.00 C ATOM 966 O GLU A 60 -7.547 5.514 -0.250 1.00 0.00 O ATOM 967 CB GLU A 60 -5.278 7.669 0.500 1.00 0.00 C ATOM 968 CG GLU A 60 -4.570 7.654 1.867 1.00 0.00 C ATOM 969 CD GLU A 60 -5.458 6.958 2.915 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.475 6.421 2.504 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.065 7.007 4.070 1.00 0.00 O ATOM 0 H GLU A 60 -3.832 7.088 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.149 5.498 0.666 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.771 8.362 -0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.300 8.028 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.615 7.134 1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.352 8.674 2.183 1.00 0.00 H new ATOM 978 N ASP A 61 -6.593 6.302 -2.090 1.00 0.00 N ATOM 979 CA ASP A 61 -7.812 6.092 -2.882 1.00 0.00 C ATOM 980 C ASP A 61 -8.001 4.608 -3.110 1.00 0.00 C ATOM 981 O ASP A 61 -9.109 4.108 -3.117 1.00 0.00 O ATOM 982 CB ASP A 61 -7.640 6.800 -4.229 1.00 0.00 C ATOM 983 CG ASP A 61 -8.982 6.830 -4.966 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.232 5.869 -5.676 1.00 0.00 O ATOM 985 OD2 ASP A 61 -9.680 7.813 -4.779 1.00 0.00 O ATOM 0 H ASP A 61 -5.802 6.697 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.681 6.491 -2.360 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -7.275 7.815 -4.074 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.894 6.282 -4.831 1.00 0.00 H new ATOM 990 N MET A 62 -6.905 3.921 -3.313 1.00 0.00 N ATOM 991 CA MET A 62 -7.004 2.474 -3.537 1.00 0.00 C ATOM 992 C MET A 62 -7.365 1.801 -2.238 1.00 0.00 C ATOM 993 O MET A 62 -8.214 0.942 -2.199 1.00 0.00 O ATOM 994 CB MET A 62 -5.639 1.939 -4.028 1.00 0.00 C ATOM 995 CG MET A 62 -5.335 2.474 -5.448 1.00 0.00 C ATOM 996 SD MET A 62 -4.242 1.471 -6.489 1.00 0.00 S ATOM 997 CE MET A 62 -2.757 1.605 -5.464 1.00 0.00 C ATOM 0 H MET A 62 -5.961 4.308 -3.331 1.00 0.00 H new ATOM 0 HA MET A 62 -7.768 2.266 -4.286 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.851 2.245 -3.340 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.649 0.849 -4.036 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.282 2.599 -5.973 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.893 3.465 -5.349 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.974 2.118 -6.023 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.988 2.170 -4.561 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.413 0.608 -5.190 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.700 2.192 -1.190 1.00 0.00 N ATOM 1008 CA ALA A 63 -7.007 1.580 0.110 1.00 0.00 C ATOM 1009 C ALA A 63 -8.446 1.911 0.474 1.00 0.00 C ATOM 1010 O ALA A 63 -9.121 1.144 1.130 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.047 2.162 1.173 1.00 0.00 C ATOM 0 H ALA A 63 -5.967 2.901 -1.185 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.882 0.498 0.065 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.265 1.716 2.143 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.017 1.939 0.894 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.181 3.242 1.232 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.893 3.062 0.025 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.276 3.465 0.326 1.00 0.00 C ATOM 1019 C LYS A 64 -11.224 2.611 -0.490 1.00 0.00 C ATOM 1020 O LYS A 64 -12.294 2.244 -0.039 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.453 4.952 -0.054 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.941 5.327 0.003 1.00 0.00 C ATOM 1023 CD LYS A 64 -12.078 6.854 0.041 1.00 0.00 C ATOM 1024 CE LYS A 64 -13.535 7.231 -0.225 1.00 0.00 C ATOM 1025 NZ LYS A 64 -14.451 6.388 0.594 1.00 0.00 N ATOM 0 H LYS A 64 -8.353 3.725 -0.531 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.490 3.331 1.386 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.883 5.582 0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.061 5.131 -1.055 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.463 4.925 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.405 4.887 0.885 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.762 7.236 1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.429 7.309 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.693 8.284 0.010 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.762 7.103 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.341 6.900 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.649 5.500 0.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -14.002 6.175 1.508 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.803 2.295 -1.687 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.647 1.473 -2.547 1.00 0.00 C ATOM 1041 C ALA A 65 -11.668 0.064 -2.024 1.00 0.00 C ATOM 1042 O ALA A 65 -12.649 -0.634 -2.141 1.00 0.00 O ATOM 1043 CB ALA A 65 -11.066 1.482 -3.969 1.00 0.00 C ATOM 0 H ALA A 65 -9.910 2.579 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.662 1.869 -2.560 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.690 0.870 -4.621 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.042 2.505 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.054 1.078 -3.951 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.579 -0.325 -1.439 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.498 -1.685 -0.890 1.00 0.00 C ATOM 1051 C ASP A 66 -11.405 -1.782 0.319 1.00 0.00 C ATOM 1052 O ASP A 66 -12.057 -2.785 0.535 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.038 -1.959 -0.469 1.00 0.00 C ATOM 1054 CG ASP A 66 -8.815 -3.467 -0.360 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -9.788 -4.136 -0.055 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -7.685 -3.864 -0.586 1.00 0.00 O ATOM 0 H ASP A 66 -9.742 0.246 -1.320 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.810 -2.417 -1.635 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.351 -1.531 -1.199 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.827 -1.479 0.487 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.411 -0.729 1.098 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.260 -0.713 2.298 1.00 0.00 C ATOM 1063 C LYS A 67 -13.690 -1.049 1.915 1.00 0.00 C ATOM 1064 O LYS A 67 -14.398 -1.704 2.647 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.212 0.702 2.902 1.00 0.00 C ATOM 1066 CG LYS A 67 -12.679 0.645 4.357 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.845 2.071 4.889 1.00 0.00 C ATOM 1068 CE LYS A 67 -12.942 2.032 6.414 1.00 0.00 C ATOM 1069 NZ LYS A 67 -13.864 0.947 6.856 1.00 0.00 N ATOM 0 H LYS A 67 -10.859 0.115 0.943 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.904 -1.447 3.021 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.198 1.099 2.848 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.849 1.376 2.329 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.624 0.106 4.427 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -11.955 0.100 4.963 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.999 2.687 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.741 2.527 4.467 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.953 1.872 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.299 2.993 6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.250 1.180 7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.644 0.855 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.343 0.049 6.909 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.090 -0.585 0.759 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.463 -0.865 0.304 1.00 0.00 C ATOM 1085 C ALA A 68 -15.594 -2.307 -0.159 1.00 0.00 C ATOM 1086 O ALA A 68 -16.628 -2.922 0.004 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.785 0.067 -0.873 1.00 0.00 C ATOM 0 H ALA A 68 -13.521 -0.028 0.121 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.153 -0.701 1.131 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.799 -0.126 -1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.705 1.104 -0.548 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.080 -0.114 -1.684 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.544 -2.827 -0.725 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.600 -4.233 -1.202 1.00 0.00 C ATOM 1095 C ARG A 69 -14.645 -5.190 -0.026 1.00 0.00 C ATOM 1096 O ARG A 69 -15.159 -6.280 -0.132 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.334 -4.544 -2.031 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.382 -3.793 -3.375 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.598 -4.256 -4.209 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.716 -3.301 -3.975 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.810 -3.405 -4.681 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -16.898 -4.349 -5.576 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.781 -2.557 -4.467 1.00 0.00 N ATOM 0 H ARG A 69 -13.658 -2.345 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.497 -4.357 -1.809 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.444 -4.251 -1.474 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.260 -5.617 -2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.443 -2.719 -3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.462 -3.972 -3.932 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.342 -4.289 -5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.894 -5.265 -3.921 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.628 -2.571 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -16.119 -4.993 -5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.745 -4.444 -6.136 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.677 -1.830 -3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.643 -2.622 -5.008 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.097 -4.760 1.079 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.090 -5.627 2.283 1.00 0.00 C ATOM 1119 C TYR A 70 -15.430 -5.581 3.006 1.00 0.00 C ATOM 1120 O TYR A 70 -15.955 -6.599 3.404 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.007 -5.111 3.237 1.00 0.00 C ATOM 1122 CG TYR A 70 -12.894 -6.053 4.437 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -13.663 -5.849 5.564 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.012 -7.113 4.413 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -13.548 -6.690 6.652 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -11.897 -7.954 5.500 1.00 0.00 C ATOM 1127 CZ TYR A 70 -12.665 -7.750 6.627 1.00 0.00 C ATOM 1128 OH TYR A 70 -12.552 -8.593 7.714 1.00 0.00 O ATOM 0 H TYR A 70 -13.656 -3.848 1.196 1.00 0.00 H new ATOM 0 HA TYR A 70 -13.898 -6.655 1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.050 -5.049 2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.253 -4.104 3.573 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -14.360 -5.025 5.595 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.406 -7.286 3.536 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.154 -6.517 7.529 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.200 -8.779 5.468 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.885 -9.285 7.523 1.00 0.00 H new