USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 570 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 CYS SG : rot -139:sc= -1.28 USER MOD Set 1.2: A 53 TYR OH : rot 100:sc= 0.389 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 153:sc= 0.22 (180deg=-0.0829) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 28 HIS : no HD1:sc= -0.878 X(o=-0.88,f=-1) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -158:sc= -0.439 (180deg=-1.26!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.072 USER MOD Single : A 39 LYS NZ :NH3+ -109:sc= 0.491 (180deg=-0.14) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= -0.0155 (180deg=-0.148) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.0215 K(o=-0.022,f=-2.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 56:sc= -0.113 USER MOD Single : A 52 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.066) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 162:sc= 1.21 (180deg=0.975) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN :FLIP amide:sc= -3.18! C(o=-5.9!,f=-3.2!) USER MOD Single : A 78 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.9!) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.327) USER MOD Single : A 80 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.1) USER MOD Single : A 84 GLN : amide:sc= 0.251 K(o=0.25,f=-1.3) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 6.551 18.233 3.848 1.00 0.00 N ATOM 159 CA PRO A 14 7.583 17.198 3.955 1.00 0.00 C ATOM 160 C PRO A 14 7.790 16.448 2.644 1.00 0.00 C ATOM 161 O PRO A 14 7.042 16.635 1.685 1.00 0.00 O ATOM 162 CB PRO A 14 7.032 16.257 5.029 1.00 0.00 C ATOM 163 CG PRO A 14 5.555 16.448 4.979 1.00 0.00 C ATOM 164 CD PRO A 14 5.337 17.889 4.607 1.00 0.00 C ATOM 0 HA PRO A 14 8.559 17.619 4.198 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.304 15.221 4.825 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.430 16.504 6.013 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.100 15.782 4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.099 16.220 5.942 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.437 18.017 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.223 18.519 5.489 1.00 0.00 H new ATOM 172 N LYS A 15 8.810 15.597 2.610 1.00 0.00 N ATOM 173 CA LYS A 15 9.115 14.815 1.417 1.00 0.00 C ATOM 174 C LYS A 15 8.827 13.335 1.647 1.00 0.00 C ATOM 175 O LYS A 15 9.094 12.786 2.716 1.00 0.00 O ATOM 176 CB LYS A 15 10.580 15.005 1.019 1.00 0.00 C ATOM 177 CG LYS A 15 10.957 14.294 -0.269 1.00 0.00 C ATOM 178 CD LYS A 15 12.465 14.172 -0.418 1.00 0.00 C ATOM 179 CE LYS A 15 12.838 13.282 -1.594 1.00 0.00 C ATOM 180 NZ LYS A 15 14.182 12.664 -1.417 1.00 0.00 N ATOM 0 H LYS A 15 9.440 15.431 3.395 1.00 0.00 H new ATOM 0 HA LYS A 15 8.476 15.169 0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.783 16.070 0.909 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.217 14.641 1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.508 13.301 -0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.549 14.840 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.899 15.162 -0.557 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.891 13.763 0.499 1.00 0.00 H new ATOM 0 HE2 LYS A 15 12.090 12.498 -1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.826 13.869 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.400 12.065 -2.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 14.900 13.412 -1.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.186 12.083 -0.554 1.00 0.00 H new ATOM 194 N PRO A 16 8.270 12.673 0.622 1.00 0.00 N ATOM 195 CA PRO A 16 7.936 11.247 0.689 1.00 0.00 C ATOM 196 C PRO A 16 9.178 10.362 0.715 1.00 0.00 C ATOM 197 O PRO A 16 10.225 10.726 0.180 1.00 0.00 O ATOM 198 CB PRO A 16 7.137 11.009 -0.594 1.00 0.00 C ATOM 199 CG PRO A 16 7.604 12.068 -1.533 1.00 0.00 C ATOM 200 CD PRO A 16 7.925 13.265 -0.681 1.00 0.00 C ATOM 0 HA PRO A 16 7.390 10.998 1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.322 10.013 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 16 6.065 11.085 -0.413 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.482 11.738 -2.088 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.834 12.306 -2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.754 13.841 -1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.074 13.942 -0.602 1.00 0.00 H new ATOM 208 N LYS A 17 9.054 9.196 1.341 1.00 0.00 N ATOM 209 CA LYS A 17 10.165 8.256 1.436 1.00 0.00 C ATOM 210 C LYS A 17 10.173 7.301 0.246 1.00 0.00 C ATOM 211 O LYS A 17 11.230 6.982 -0.299 1.00 0.00 O ATOM 212 CB LYS A 17 10.078 7.462 2.741 1.00 0.00 C ATOM 213 CG LYS A 17 10.430 8.276 3.974 1.00 0.00 C ATOM 214 CD LYS A 17 10.416 7.421 5.230 1.00 0.00 C ATOM 215 CE LYS A 17 11.296 8.015 6.318 1.00 0.00 C ATOM 216 NZ LYS A 17 10.945 9.434 6.604 1.00 0.00 N ATOM 0 H LYS A 17 8.195 8.879 1.790 1.00 0.00 H new ATOM 0 HA LYS A 17 11.093 8.827 1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.067 7.070 2.851 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.747 6.604 2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.417 8.722 3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.721 9.097 4.084 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.394 7.329 5.597 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.761 6.415 4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.195 7.425 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 17 12.341 7.954 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.200 9.664 7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 11.467 10.058 5.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.923 9.573 6.470 1.00 0.00 H new ATOM 230 N PHE A 18 8.989 6.850 -0.152 1.00 0.00 N ATOM 231 CA PHE A 18 8.860 5.932 -1.278 1.00 0.00 C ATOM 232 C PHE A 18 8.700 6.697 -2.588 1.00 0.00 C ATOM 233 O PHE A 18 8.651 7.927 -2.598 1.00 0.00 O ATOM 234 CB PHE A 18 7.664 5.001 -1.069 1.00 0.00 C ATOM 235 CG PHE A 18 7.616 4.384 0.299 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.000 5.044 1.350 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.186 3.143 0.534 1.00 0.00 C ATOM 238 CE1 PHE A 18 6.955 4.478 2.610 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.145 2.572 1.792 1.00 0.00 C ATOM 240 CZ PHE A 18 7.527 3.241 2.832 1.00 0.00 C ATOM 0 H PHE A 18 8.105 7.105 0.288 1.00 0.00 H new ATOM 0 HA PHE A 18 9.771 5.336 -1.335 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.744 5.561 -1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.697 4.208 -1.816 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.550 6.011 1.183 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.668 2.616 -0.276 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.472 5.003 3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.595 1.605 1.962 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.492 2.797 3.816 1.00 0.00 H new ATOM 250 N GLN A 19 8.621 5.960 -3.691 1.00 0.00 N ATOM 251 CA GLN A 19 8.469 6.569 -5.008 1.00 0.00 C ATOM 252 C GLN A 19 7.432 5.819 -5.837 1.00 0.00 C ATOM 253 O GLN A 19 7.179 4.637 -5.610 1.00 0.00 O ATOM 254 CB GLN A 19 9.810 6.588 -5.742 1.00 0.00 C ATOM 255 CG GLN A 19 10.733 7.710 -5.295 1.00 0.00 C ATOM 256 CD GLN A 19 12.067 7.690 -6.014 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.177 7.181 -7.130 1.00 0.00 O ATOM 258 NE2 GLN A 19 13.092 8.247 -5.378 1.00 0.00 N ATOM 0 H GLN A 19 8.660 4.941 -3.699 1.00 0.00 H new ATOM 0 HA GLN A 19 8.125 7.594 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.312 5.633 -5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.627 6.684 -6.812 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.245 8.669 -5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.902 7.630 -4.221 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.957 8.658 -4.454 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.014 8.264 -5.814 1.00 0.00 H new ATOM 267 N GLU A 20 6.835 6.516 -6.799 1.00 0.00 N ATOM 268 CA GLU A 20 5.824 5.916 -7.662 1.00 0.00 C ATOM 269 C GLU A 20 6.435 4.826 -8.539 1.00 0.00 C ATOM 270 O GLU A 20 7.579 4.936 -8.977 1.00 0.00 O ATOM 271 CB GLU A 20 5.170 6.985 -8.540 1.00 0.00 C ATOM 272 CG GLU A 20 4.413 8.040 -7.751 1.00 0.00 C ATOM 273 CD GLU A 20 5.283 9.223 -7.374 1.00 0.00 C ATOM 274 OE1 GLU A 20 6.161 9.059 -6.501 1.00 0.00 O ATOM 275 OE2 GLU A 20 5.086 10.313 -7.951 1.00 0.00 O ATOM 0 H GLU A 20 7.034 7.496 -7.000 1.00 0.00 H new ATOM 0 HA GLU A 20 5.063 5.464 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.940 7.473 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.484 6.502 -9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.566 8.390 -8.340 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.007 7.589 -6.845 1.00 0.00 H new ATOM 282 N GLY A 21 5.662 3.774 -8.790 1.00 0.00 N ATOM 283 CA GLY A 21 6.143 2.679 -9.612 1.00 0.00 C ATOM 284 C GLY A 21 7.009 1.708 -8.835 1.00 0.00 C ATOM 285 O GLY A 21 7.505 0.728 -9.390 1.00 0.00 O ATOM 0 H GLY A 21 4.711 3.660 -8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.292 2.145 -10.034 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.714 3.081 -10.449 1.00 0.00 H new ATOM 289 N GLU A 22 7.191 1.980 -7.547 1.00 0.00 N ATOM 290 CA GLU A 22 8.006 1.123 -6.693 1.00 0.00 C ATOM 291 C GLU A 22 7.128 0.207 -5.845 1.00 0.00 C ATOM 292 O GLU A 22 6.142 0.647 -5.254 1.00 0.00 O ATOM 293 CB GLU A 22 8.902 1.970 -5.788 1.00 0.00 C ATOM 294 CG GLU A 22 9.658 1.159 -4.748 1.00 0.00 C ATOM 295 CD GLU A 22 10.940 1.834 -4.302 1.00 0.00 C ATOM 296 OE1 GLU A 22 10.884 3.024 -3.926 1.00 0.00 O ATOM 297 OE2 GLU A 22 11.999 1.173 -4.329 1.00 0.00 O ATOM 0 H GLU A 22 6.786 2.786 -7.072 1.00 0.00 H new ATOM 0 HA GLU A 22 8.633 0.504 -7.335 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.619 2.512 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.290 2.716 -5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.016 0.997 -3.882 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.893 0.177 -5.159 1.00 0.00 H new ATOM 304 N ARG A 23 7.493 -1.070 -5.792 1.00 0.00 N ATOM 305 CA ARG A 23 6.738 -2.049 -5.019 1.00 0.00 C ATOM 306 C ARG A 23 6.780 -1.715 -3.531 1.00 0.00 C ATOM 307 O ARG A 23 7.787 -1.222 -3.022 1.00 0.00 O ATOM 308 CB ARG A 23 7.295 -3.454 -5.253 1.00 0.00 C ATOM 309 CG ARG A 23 6.295 -4.562 -4.965 1.00 0.00 C ATOM 310 CD ARG A 23 6.782 -5.903 -5.491 1.00 0.00 C ATOM 311 NE ARG A 23 6.348 -6.141 -6.865 1.00 0.00 N ATOM 312 CZ ARG A 23 6.564 -7.278 -7.517 1.00 0.00 C ATOM 313 NH1 ARG A 23 7.204 -8.276 -6.923 1.00 0.00 N ATOM 314 NH2 ARG A 23 6.139 -7.419 -8.766 1.00 0.00 N ATOM 0 H ARG A 23 8.307 -1.451 -6.275 1.00 0.00 H new ATOM 0 HA ARG A 23 5.701 -2.017 -5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.627 -3.536 -6.288 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.174 -3.597 -4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.126 -4.631 -3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.337 -4.317 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.870 -5.938 -5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.409 -6.701 -4.849 1.00 0.00 H new ATOM 0 HE ARG A 23 5.852 -5.393 -7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.532 -8.172 -5.963 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.368 -9.148 -7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.646 -6.654 -9.226 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.305 -8.292 -9.266 1.00 0.00 H new ATOM 328 N VAL A 24 5.678 -1.986 -2.837 1.00 0.00 N ATOM 329 CA VAL A 24 5.589 -1.715 -1.408 1.00 0.00 C ATOM 330 C VAL A 24 4.473 -2.530 -0.763 1.00 0.00 C ATOM 331 O VAL A 24 3.598 -3.059 -1.450 1.00 0.00 O ATOM 332 CB VAL A 24 5.341 -0.220 -1.134 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.560 0.603 -1.522 1.00 0.00 C ATOM 334 CG2 VAL A 24 4.105 0.260 -1.880 1.00 0.00 C ATOM 0 H VAL A 24 4.835 -2.393 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 24 6.545 -2.003 -0.971 1.00 0.00 H new ATOM 0 HB VAL A 24 5.168 -0.088 -0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.366 1.657 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.421 0.275 -0.940 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.767 0.468 -2.584 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.945 1.318 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.247 0.115 -2.951 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.236 -0.309 -1.549 1.00 0.00 H new ATOM 344 N LEU A 25 4.509 -2.628 0.561 1.00 0.00 N ATOM 345 CA LEU A 25 3.500 -3.378 1.301 1.00 0.00 C ATOM 346 C LEU A 25 2.556 -2.437 2.042 1.00 0.00 C ATOM 347 O LEU A 25 2.990 -1.617 2.853 1.00 0.00 O ATOM 348 CB LEU A 25 4.170 -4.332 2.292 1.00 0.00 C ATOM 349 CG LEU A 25 4.966 -5.485 1.680 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.899 -6.097 2.713 1.00 0.00 C ATOM 351 CD2 LEU A 25 4.026 -6.541 1.117 1.00 0.00 C ATOM 0 H LEU A 25 5.226 -2.197 1.145 1.00 0.00 H new ATOM 0 HA LEU A 25 2.917 -3.958 0.586 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.839 -3.752 2.928 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.400 -4.752 2.939 1.00 0.00 H new ATOM 0 HG LEU A 25 5.570 -5.091 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.457 -6.916 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.595 -5.338 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.315 -6.477 3.551 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.609 -7.354 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.396 -6.931 1.917 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.398 -6.095 0.345 1.00 0.00 H new ATOM 363 N CYS A 26 1.264 -2.562 1.761 1.00 0.00 N ATOM 364 CA CYS A 26 0.257 -1.723 2.402 1.00 0.00 C ATOM 365 C CYS A 26 -0.342 -2.425 3.617 1.00 0.00 C ATOM 366 O CYS A 26 -0.376 -3.654 3.682 1.00 0.00 O ATOM 367 CB CYS A 26 -0.848 -1.366 1.408 1.00 0.00 C ATOM 368 SG CYS A 26 -2.363 -0.750 2.178 1.00 0.00 S ATOM 0 H CYS A 26 0.889 -3.236 1.094 1.00 0.00 H new ATOM 0 HA CYS A 26 0.743 -0.807 2.737 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.471 -0.611 0.718 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.088 -2.249 0.815 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.395 -1.261 1.575 1.00 0.00 H new ATOM 374 N PHE A 27 -0.813 -1.636 4.577 1.00 0.00 N ATOM 375 CA PHE A 27 -1.408 -2.182 5.791 1.00 0.00 C ATOM 376 C PHE A 27 -2.929 -2.056 5.755 1.00 0.00 C ATOM 377 O PHE A 27 -3.480 -0.984 6.003 1.00 0.00 O ATOM 378 CB PHE A 27 -0.855 -1.463 7.023 1.00 0.00 C ATOM 379 CG PHE A 27 0.379 -2.106 7.589 1.00 0.00 C ATOM 380 CD1 PHE A 27 0.327 -3.382 8.126 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.590 -1.433 7.584 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.461 -3.977 8.647 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.728 -2.023 8.103 1.00 0.00 C ATOM 384 CZ PHE A 27 2.663 -3.296 8.636 1.00 0.00 C ATOM 0 H PHE A 27 -0.794 -0.617 4.538 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.149 -3.239 5.849 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.628 -0.430 6.760 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.626 -1.434 7.793 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.610 -3.918 8.138 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.646 -0.437 7.170 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.407 -4.973 9.062 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.667 -1.489 8.092 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.550 -3.758 9.043 1.00 0.00 H new ATOM 394 N HIS A 28 -3.600 -3.161 5.443 1.00 0.00 N ATOM 395 CA HIS A 28 -5.057 -3.175 5.374 1.00 0.00 C ATOM 396 C HIS A 28 -5.648 -3.971 6.534 1.00 0.00 C ATOM 397 O HIS A 28 -6.684 -4.619 6.391 1.00 0.00 O ATOM 398 CB HIS A 28 -5.519 -3.771 4.044 1.00 0.00 C ATOM 399 CG HIS A 28 -7.007 -3.767 3.871 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.745 -4.916 3.674 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.895 -2.746 3.868 1.00 0.00 C ATOM 402 CE1 HIS A 28 -9.022 -4.601 3.555 1.00 0.00 C ATOM 403 NE2 HIS A 28 -9.141 -3.290 3.670 1.00 0.00 N ATOM 0 H HIS A 28 -3.159 -4.057 5.234 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.410 -2.146 5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -5.065 -3.211 3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.155 -4.796 3.969 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.667 -1.698 3.997 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.832 -5.297 3.391 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -10.015 -2.767 3.620 1.00 0.00 H new ATOM 412 N GLY A 29 -4.981 -3.917 7.683 1.00 0.00 N ATOM 413 CA GLY A 29 -5.455 -4.637 8.850 1.00 0.00 C ATOM 414 C GLY A 29 -4.367 -5.470 9.498 1.00 0.00 C ATOM 415 O GLY A 29 -3.178 -5.173 9.386 1.00 0.00 O ATOM 0 H GLY A 29 -4.121 -3.387 7.826 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.846 -3.926 9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.282 -5.286 8.562 1.00 0.00 H new ATOM 419 N PRO A 30 -4.773 -6.540 10.198 1.00 0.00 N ATOM 420 CA PRO A 30 -3.840 -7.440 10.882 1.00 0.00 C ATOM 421 C PRO A 30 -3.014 -8.270 9.905 1.00 0.00 C ATOM 422 O PRO A 30 -2.224 -9.123 10.312 1.00 0.00 O ATOM 423 CB PRO A 30 -4.759 -8.344 11.707 1.00 0.00 C ATOM 424 CG PRO A 30 -6.060 -8.325 10.982 1.00 0.00 C ATOM 425 CD PRO A 30 -6.175 -6.954 10.374 1.00 0.00 C ATOM 0 HA PRO A 30 -3.110 -6.893 11.479 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.360 -9.356 11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.868 -7.973 12.726 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.089 -9.097 10.213 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -6.889 -8.521 11.662 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.709 -6.979 9.424 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -6.717 -6.269 11.026 1.00 0.00 H new ATOM 433 N LEU A 31 -3.200 -8.015 8.614 1.00 0.00 N ATOM 434 CA LEU A 31 -2.471 -8.739 7.578 1.00 0.00 C ATOM 435 C LEU A 31 -1.907 -7.777 6.537 1.00 0.00 C ATOM 436 O LEU A 31 -2.420 -6.672 6.354 1.00 0.00 O ATOM 437 CB LEU A 31 -3.387 -9.761 6.903 1.00 0.00 C ATOM 438 CG LEU A 31 -4.022 -10.804 7.822 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.358 -11.266 7.263 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.084 -11.988 8.013 1.00 0.00 C ATOM 0 H LEU A 31 -3.849 -7.313 8.260 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.639 -9.262 8.050 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.185 -9.222 6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.814 -10.282 6.137 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.198 -10.344 8.794 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.795 -12.008 7.931 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.031 -10.413 7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.207 -11.708 6.278 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.552 -12.721 8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.876 -12.447 7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.151 -11.645 8.459 1.00 0.00 H new ATOM 452 N LEU A 32 -0.850 -8.205 5.856 1.00 0.00 N ATOM 453 CA LEU A 32 -0.217 -7.383 4.830 1.00 0.00 C ATOM 454 C LEU A 32 -0.635 -7.837 3.435 1.00 0.00 C ATOM 455 O LEU A 32 -0.800 -9.030 3.182 1.00 0.00 O ATOM 456 CB LEU A 32 1.305 -7.447 4.965 1.00 0.00 C ATOM 457 CG LEU A 32 1.934 -6.459 5.947 1.00 0.00 C ATOM 458 CD1 LEU A 32 3.428 -6.709 6.073 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.666 -5.027 5.508 1.00 0.00 C ATOM 0 H LEU A 32 -0.413 -9.116 5.995 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.545 -6.353 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.580 -8.457 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.744 -7.280 3.981 1.00 0.00 H new ATOM 0 HG LEU A 32 1.478 -6.609 6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.858 -5.996 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.598 -7.723 6.435 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.901 -6.587 5.098 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.121 -4.337 6.219 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.094 -4.864 4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.591 -4.853 5.471 1.00 0.00 H new ATOM 471 N TYR A 33 -0.803 -6.877 2.532 1.00 0.00 N ATOM 472 CA TYR A 33 -1.201 -7.177 1.162 1.00 0.00 C ATOM 473 C TYR A 33 -0.220 -6.571 0.164 1.00 0.00 C ATOM 474 O TYR A 33 0.260 -5.453 0.350 1.00 0.00 O ATOM 475 CB TYR A 33 -2.612 -6.650 0.892 1.00 0.00 C ATOM 476 CG TYR A 33 -3.651 -7.180 1.853 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.662 -6.782 3.184 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.623 -8.078 1.430 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.610 -7.265 4.066 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.575 -8.565 2.304 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.564 -8.156 3.621 1.00 0.00 C ATOM 482 OH TYR A 33 -6.510 -8.638 4.496 1.00 0.00 O ATOM 0 H TYR A 33 -0.670 -5.884 2.724 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.194 -8.260 1.038 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.601 -5.561 0.947 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.901 -6.915 -0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.917 -6.083 3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.634 -8.401 0.399 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.604 -6.947 5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.324 -9.262 1.958 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.108 -9.254 4.024 1.00 0.00 H new ATOM 492 N GLU A 34 0.073 -7.317 -0.896 1.00 0.00 N ATOM 493 CA GLU A 34 0.998 -6.854 -1.924 1.00 0.00 C ATOM 494 C GLU A 34 0.407 -5.678 -2.698 1.00 0.00 C ATOM 495 O GLU A 34 -0.770 -5.688 -3.059 1.00 0.00 O ATOM 496 CB GLU A 34 1.337 -7.993 -2.888 1.00 0.00 C ATOM 497 CG GLU A 34 2.284 -7.586 -4.003 1.00 0.00 C ATOM 498 CD GLU A 34 2.554 -8.713 -4.981 1.00 0.00 C ATOM 499 OE1 GLU A 34 1.624 -9.090 -5.724 1.00 0.00 O ATOM 500 OE2 GLU A 34 3.696 -9.218 -5.003 1.00 0.00 O ATOM 0 H GLU A 34 -0.317 -8.244 -1.066 1.00 0.00 H new ATOM 0 HA GLU A 34 1.911 -6.521 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.783 -8.813 -2.325 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.414 -8.373 -3.327 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.862 -6.737 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.227 -7.252 -3.570 1.00 0.00 H new ATOM 507 N ALA A 35 1.232 -4.667 -2.947 1.00 0.00 N ATOM 508 CA ALA A 35 0.793 -3.485 -3.678 1.00 0.00 C ATOM 509 C ALA A 35 1.985 -2.681 -4.188 1.00 0.00 C ATOM 510 O ALA A 35 3.137 -3.012 -3.907 1.00 0.00 O ATOM 511 CB ALA A 35 -0.092 -2.618 -2.796 1.00 0.00 C ATOM 0 H ALA A 35 2.208 -4.643 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 35 0.215 -3.815 -4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.413 -1.739 -3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.967 -3.189 -2.485 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.468 -2.304 -1.915 1.00 0.00 H new ATOM 517 N LYS A 36 1.700 -1.624 -4.941 1.00 0.00 N ATOM 518 CA LYS A 36 2.747 -0.772 -5.491 1.00 0.00 C ATOM 519 C LYS A 36 2.327 0.694 -5.461 1.00 0.00 C ATOM 520 O LYS A 36 1.150 1.016 -5.632 1.00 0.00 O ATOM 521 CB LYS A 36 3.074 -1.191 -6.926 1.00 0.00 C ATOM 522 CG LYS A 36 4.068 -0.273 -7.617 1.00 0.00 C ATOM 523 CD LYS A 36 3.367 0.861 -8.345 1.00 0.00 C ATOM 524 CE LYS A 36 2.837 0.412 -9.698 1.00 0.00 C ATOM 525 NZ LYS A 36 3.833 -0.410 -10.439 1.00 0.00 N ATOM 0 H LYS A 36 0.752 -1.337 -5.184 1.00 0.00 H new ATOM 0 HA LYS A 36 3.638 -0.889 -4.874 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.474 -2.205 -6.917 1.00 0.00 H new ATOM 0 HB3 LYS A 36 2.152 -1.217 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.758 0.138 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.664 -0.848 -8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.543 1.232 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.061 1.691 -8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 36 1.923 -0.165 -9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.573 1.286 -10.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.616 -0.385 -11.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.787 -0.027 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.793 -1.393 -10.100 1.00 0.00 H new ATOM 539 N CYS A 37 3.295 1.578 -5.246 1.00 0.00 N ATOM 540 CA CYS A 37 3.025 3.011 -5.195 1.00 0.00 C ATOM 541 C CYS A 37 2.481 3.509 -6.529 1.00 0.00 C ATOM 542 O CYS A 37 3.158 3.436 -7.555 1.00 0.00 O ATOM 543 CB CYS A 37 4.297 3.778 -4.830 1.00 0.00 C ATOM 544 SG CYS A 37 3.994 5.387 -4.063 1.00 0.00 S ATOM 0 H CYS A 37 4.274 1.328 -5.104 1.00 0.00 H new ATOM 0 HA CYS A 37 2.271 3.187 -4.428 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.893 3.170 -4.150 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.892 3.923 -5.732 1.00 0.00 H new ATOM 0 HG CYS A 37 5.129 5.958 -3.789 1.00 0.00 H new ATOM 550 N VAL A 38 1.251 4.015 -6.510 1.00 0.00 N ATOM 551 CA VAL A 38 0.615 4.525 -7.718 1.00 0.00 C ATOM 552 C VAL A 38 0.716 6.045 -7.793 1.00 0.00 C ATOM 553 O VAL A 38 0.855 6.617 -8.874 1.00 0.00 O ATOM 554 CB VAL A 38 -0.868 4.116 -7.788 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.425 4.359 -9.182 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.037 2.659 -7.383 1.00 0.00 C ATOM 0 H VAL A 38 0.676 4.082 -5.670 1.00 0.00 H new ATOM 0 HA VAL A 38 1.145 4.086 -8.563 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.431 4.732 -7.087 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.474 4.064 -9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.339 5.417 -9.429 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.862 3.770 -9.906 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.091 2.386 -7.438 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.462 2.025 -8.058 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.679 2.521 -6.363 1.00 0.00 H new ATOM 566 N LYS A 39 0.644 6.694 -6.636 1.00 0.00 N ATOM 567 CA LYS A 39 0.729 8.148 -6.567 1.00 0.00 C ATOM 568 C LYS A 39 1.244 8.600 -5.204 1.00 0.00 C ATOM 569 O LYS A 39 1.241 7.831 -4.243 1.00 0.00 O ATOM 570 CB LYS A 39 -0.641 8.772 -6.839 1.00 0.00 C ATOM 571 CG LYS A 39 -1.230 8.385 -8.185 1.00 0.00 C ATOM 572 CD LYS A 39 -2.533 9.118 -8.455 1.00 0.00 C ATOM 573 CE LYS A 39 -3.026 8.875 -9.873 1.00 0.00 C ATOM 574 NZ LYS A 39 -3.533 7.486 -10.054 1.00 0.00 N ATOM 0 H LYS A 39 0.527 6.236 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 39 1.432 8.482 -7.330 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.331 8.472 -6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.553 9.857 -6.789 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.514 8.611 -8.975 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.404 7.309 -8.211 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.291 8.789 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.390 10.187 -8.297 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -3.819 9.585 -10.108 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -2.214 9.060 -10.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.870 6.949 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -3.618 7.024 -9.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -4.466 7.514 -10.514 1.00 0.00 H new ATOM 588 N VAL A 40 1.684 9.852 -5.128 1.00 0.00 N ATOM 589 CA VAL A 40 2.199 10.406 -3.882 1.00 0.00 C ATOM 590 C VAL A 40 1.630 11.796 -3.622 1.00 0.00 C ATOM 591 O VAL A 40 2.044 12.774 -4.245 1.00 0.00 O ATOM 592 CB VAL A 40 3.737 10.488 -3.897 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.251 11.121 -2.613 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.341 9.106 -4.099 1.00 0.00 C ATOM 0 H VAL A 40 1.694 10.501 -5.914 1.00 0.00 H new ATOM 0 HA VAL A 40 1.886 9.733 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 40 4.042 11.119 -4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.339 11.170 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.845 12.128 -2.516 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.938 10.519 -1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.428 9.182 -4.107 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.029 8.450 -3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.999 8.695 -5.049 1.00 0.00 H new ATOM 604 N ALA A 41 0.678 11.877 -2.699 1.00 0.00 N ATOM 605 CA ALA A 41 0.053 13.148 -2.355 1.00 0.00 C ATOM 606 C ALA A 41 0.418 13.573 -0.936 1.00 0.00 C ATOM 607 O ALA A 41 0.728 12.736 -0.088 1.00 0.00 O ATOM 608 CB ALA A 41 -1.458 13.052 -2.507 1.00 0.00 C ATOM 0 H ALA A 41 0.322 11.077 -2.176 1.00 0.00 H new ATOM 0 HA ALA A 41 0.428 13.907 -3.042 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.911 14.008 -2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.705 12.802 -3.539 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.842 12.276 -1.844 1.00 0.00 H new ATOM 614 N ILE A 42 0.379 14.877 -0.686 1.00 0.00 N ATOM 615 CA ILE A 42 0.705 15.412 0.630 1.00 0.00 C ATOM 616 C ILE A 42 -0.327 16.442 1.076 1.00 0.00 C ATOM 617 O ILE A 42 -0.479 17.495 0.456 1.00 0.00 O ATOM 618 CB ILE A 42 2.102 16.062 0.643 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.183 15.002 0.426 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.330 16.799 1.954 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.553 15.584 0.152 1.00 0.00 C ATOM 0 H ILE A 42 0.125 15.583 -1.377 1.00 0.00 H new ATOM 0 HA ILE A 42 0.698 14.571 1.323 1.00 0.00 H new ATOM 0 HB ILE A 42 2.159 16.784 -0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.238 14.364 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.894 14.365 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.321 17.253 1.949 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.575 17.577 2.070 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.257 16.096 2.784 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.270 14.775 0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.514 16.199 -0.747 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.863 16.198 0.998 1.00 0.00 H new ATOM 633 N LYS A 43 -1.033 16.133 2.158 1.00 0.00 N ATOM 634 CA LYS A 43 -2.050 17.032 2.692 1.00 0.00 C ATOM 635 C LYS A 43 -2.255 16.797 4.185 1.00 0.00 C ATOM 636 O LYS A 43 -1.746 15.826 4.745 1.00 0.00 O ATOM 637 CB LYS A 43 -3.373 16.838 1.947 1.00 0.00 C ATOM 638 CG LYS A 43 -3.552 17.779 0.768 1.00 0.00 C ATOM 639 CD LYS A 43 -4.292 19.043 1.171 1.00 0.00 C ATOM 640 CE LYS A 43 -5.798 18.832 1.167 1.00 0.00 C ATOM 641 NZ LYS A 43 -6.341 18.734 -0.216 1.00 0.00 N ATOM 0 H LYS A 43 -0.920 15.266 2.683 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.706 18.056 2.548 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.433 15.809 1.592 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.198 16.983 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.576 18.042 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.102 17.271 -0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.970 19.353 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.035 19.851 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.039 17.922 1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.282 19.657 1.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.371 18.880 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.900 19.461 -0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.132 17.792 -0.605 1.00 0.00 H new ATOM 655 N ASP A 44 -3.003 17.691 4.822 1.00 0.00 N ATOM 656 CA ASP A 44 -3.278 17.579 6.250 1.00 0.00 C ATOM 657 C ASP A 44 -1.987 17.382 7.038 1.00 0.00 C ATOM 658 O ASP A 44 -1.979 16.742 8.089 1.00 0.00 O ATOM 659 CB ASP A 44 -4.235 16.416 6.517 1.00 0.00 C ATOM 660 CG ASP A 44 -5.561 16.580 5.800 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.564 16.572 4.552 1.00 0.00 O ATOM 662 OD2 ASP A 44 -6.594 16.718 6.487 1.00 0.00 O ATOM 0 H ASP A 44 -3.430 18.501 4.372 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.745 18.507 6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.767 15.484 6.200 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -4.413 16.335 7.589 1.00 0.00 H new ATOM 667 N LYS A 45 -0.895 17.937 6.522 1.00 0.00 N ATOM 668 CA LYS A 45 0.403 17.824 7.176 1.00 0.00 C ATOM 669 C LYS A 45 0.863 16.370 7.226 1.00 0.00 C ATOM 670 O LYS A 45 1.562 15.963 8.153 1.00 0.00 O ATOM 671 CB LYS A 45 0.335 18.397 8.593 1.00 0.00 C ATOM 672 CG LYS A 45 -0.118 19.846 8.642 1.00 0.00 C ATOM 673 CD LYS A 45 0.982 20.790 8.187 1.00 0.00 C ATOM 674 CE LYS A 45 0.911 21.048 6.690 1.00 0.00 C ATOM 675 NZ LYS A 45 1.415 22.404 6.336 1.00 0.00 N ATOM 0 H LYS A 45 -0.884 18.470 5.652 1.00 0.00 H new ATOM 0 HA LYS A 45 1.126 18.396 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.348 17.791 9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.319 18.317 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.995 19.976 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.419 20.100 9.658 1.00 0.00 H new ATOM 0 HD2 LYS A 45 0.898 21.735 8.724 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.954 20.366 8.438 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.496 20.294 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.120 20.944 6.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.350 22.541 5.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.841 23.125 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.407 22.495 6.635 1.00 0.00 H new ATOM 689 N GLN A 46 0.466 15.594 6.222 1.00 0.00 N ATOM 690 CA GLN A 46 0.838 14.186 6.153 1.00 0.00 C ATOM 691 C GLN A 46 1.067 13.754 4.708 1.00 0.00 C ATOM 692 O GLN A 46 0.464 14.299 3.784 1.00 0.00 O ATOM 693 CB GLN A 46 -0.247 13.317 6.792 1.00 0.00 C ATOM 694 CG GLN A 46 -1.465 13.116 5.906 1.00 0.00 C ATOM 695 CD GLN A 46 -2.318 11.942 6.344 1.00 0.00 C ATOM 696 OE1 GLN A 46 -2.269 10.867 5.745 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.106 12.141 7.393 1.00 0.00 N ATOM 0 H GLN A 46 -0.113 15.916 5.446 1.00 0.00 H new ATOM 0 HA GLN A 46 1.769 14.055 6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.177 12.344 7.039 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.562 13.775 7.730 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.070 14.023 5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.140 12.960 4.877 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.115 13.048 7.859 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.703 11.387 7.733 1.00 0.00 H new ATOM 706 N VAL A 47 1.942 12.771 4.521 1.00 0.00 N ATOM 707 CA VAL A 47 2.250 12.265 3.188 1.00 0.00 C ATOM 708 C VAL A 47 1.553 10.934 2.932 1.00 0.00 C ATOM 709 O VAL A 47 1.780 9.954 3.643 1.00 0.00 O ATOM 710 CB VAL A 47 3.767 12.085 2.993 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.094 11.865 1.524 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.521 13.287 3.542 1.00 0.00 C ATOM 0 H VAL A 47 2.450 12.309 5.275 1.00 0.00 H new ATOM 0 HA VAL A 47 1.886 13.005 2.476 1.00 0.00 H new ATOM 0 HB VAL A 47 4.085 11.202 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.170 11.740 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.583 10.970 1.168 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.763 12.727 0.945 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.591 13.143 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.201 14.188 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.311 13.393 4.606 1.00 0.00 H new ATOM 722 N LYS A 48 0.705 10.903 1.910 1.00 0.00 N ATOM 723 CA LYS A 48 -0.024 9.691 1.556 1.00 0.00 C ATOM 724 C LYS A 48 0.518 9.087 0.265 1.00 0.00 C ATOM 725 O LYS A 48 1.404 9.655 -0.373 1.00 0.00 O ATOM 726 CB LYS A 48 -1.516 9.996 1.402 1.00 0.00 C ATOM 727 CG LYS A 48 -2.211 10.311 2.716 1.00 0.00 C ATOM 728 CD LYS A 48 -3.671 9.891 2.688 1.00 0.00 C ATOM 729 CE LYS A 48 -4.566 11.016 2.190 1.00 0.00 C ATOM 730 NZ LYS A 48 -5.952 10.899 2.722 1.00 0.00 N ATOM 0 H LYS A 48 0.505 11.704 1.311 1.00 0.00 H new ATOM 0 HA LYS A 48 0.112 8.967 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.638 10.841 0.725 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.007 9.141 0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.700 9.799 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.143 11.380 2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.788 9.020 2.044 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.984 9.592 3.688 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.143 11.975 2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.593 11.003 1.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.530 11.684 2.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.366 9.995 2.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.929 10.937 3.761 1.00 0.00 H new ATOM 744 N TYR A 49 -0.022 7.934 -0.115 1.00 0.00 N ATOM 745 CA TYR A 49 0.409 7.253 -1.331 1.00 0.00 C ATOM 746 C TYR A 49 -0.710 6.381 -1.892 1.00 0.00 C ATOM 747 O TYR A 49 -1.262 5.532 -1.191 1.00 0.00 O ATOM 748 CB TYR A 49 1.646 6.398 -1.050 1.00 0.00 C ATOM 749 CG TYR A 49 2.744 7.142 -0.324 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.591 7.526 1.002 1.00 0.00 C ATOM 751 CD2 TYR A 49 3.936 7.459 -0.965 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.592 8.206 1.669 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.942 8.138 -0.306 1.00 0.00 C ATOM 754 CZ TYR A 49 4.765 8.510 1.011 1.00 0.00 C ATOM 755 OH TYR A 49 5.765 9.186 1.672 1.00 0.00 O ATOM 0 H TYR A 49 -0.758 7.452 0.401 1.00 0.00 H new ATOM 0 HA TYR A 49 0.661 8.011 -2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.352 5.532 -0.457 1.00 0.00 H new ATOM 0 HB3 TYR A 49 2.038 6.019 -1.994 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.674 7.289 1.521 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.078 7.169 -1.996 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.456 8.498 2.700 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.862 8.377 -0.819 1.00 0.00 H new ATOM 0 HH TYR A 49 6.009 8.696 2.485 1.00 0.00 H new ATOM 765 N PHE A 50 -1.039 6.596 -3.161 1.00 0.00 N ATOM 766 CA PHE A 50 -2.092 5.830 -3.818 1.00 0.00 C ATOM 767 C PHE A 50 -1.642 4.394 -4.073 1.00 0.00 C ATOM 768 O PHE A 50 -0.923 4.119 -5.033 1.00 0.00 O ATOM 769 CB PHE A 50 -2.487 6.495 -5.138 1.00 0.00 C ATOM 770 CG PHE A 50 -3.675 5.856 -5.799 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.768 5.453 -5.049 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.699 5.659 -7.171 1.00 0.00 C ATOM 773 CE1 PHE A 50 -5.862 4.864 -5.655 1.00 0.00 C ATOM 774 CE2 PHE A 50 -4.790 5.071 -7.782 1.00 0.00 C ATOM 775 CZ PHE A 50 -5.874 4.674 -7.023 1.00 0.00 C ATOM 0 H PHE A 50 -0.592 7.294 -3.755 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.958 5.808 -3.157 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.706 7.547 -4.955 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.639 6.460 -5.821 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.765 5.601 -3.979 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.855 5.969 -7.769 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.707 4.553 -5.059 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -4.795 4.922 -8.852 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.729 4.216 -7.498 1.00 0.00 H new ATOM 785 N ILE A 51 -2.071 3.484 -3.205 1.00 0.00 N ATOM 786 CA ILE A 51 -1.714 2.077 -3.336 1.00 0.00 C ATOM 787 C ILE A 51 -2.635 1.365 -4.320 1.00 0.00 C ATOM 788 O ILE A 51 -3.784 1.765 -4.513 1.00 0.00 O ATOM 789 CB ILE A 51 -1.773 1.352 -1.978 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.781 1.980 -0.997 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.484 -0.131 -2.156 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.652 1.942 -1.479 1.00 0.00 C ATOM 0 H ILE A 51 -2.666 3.696 -2.404 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.691 2.045 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.777 1.459 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.068 3.016 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.848 1.459 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.529 -0.629 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.226 -0.569 -2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.490 -0.259 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.299 2.404 -0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.957 0.907 -1.632 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.734 2.488 -2.419 1.00 0.00 H new ATOM 804 N HIS A 52 -2.125 0.305 -4.939 1.00 0.00 N ATOM 805 CA HIS A 52 -2.903 -0.466 -5.903 1.00 0.00 C ATOM 806 C HIS A 52 -2.866 -1.953 -5.566 1.00 0.00 C ATOM 807 O HIS A 52 -1.944 -2.667 -5.963 1.00 0.00 O ATOM 808 CB HIS A 52 -2.372 -0.238 -7.318 1.00 0.00 C ATOM 809 CG HIS A 52 -2.894 -1.222 -8.319 1.00 0.00 C ATOM 810 ND1 HIS A 52 -4.185 -1.193 -8.802 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.289 -2.268 -8.931 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.353 -2.178 -9.665 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.217 -2.846 -9.762 1.00 0.00 N ATOM 0 H HIS A 52 -1.177 -0.040 -4.790 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.937 -0.126 -5.853 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.637 0.769 -7.639 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.283 -0.291 -7.302 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.267 -2.588 -8.791 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.264 -2.400 -10.201 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.056 -3.659 -10.357 1.00 0.00 H new ATOM 822 N TYR A 53 -3.871 -2.414 -4.831 1.00 0.00 N ATOM 823 CA TYR A 53 -3.951 -3.816 -4.438 1.00 0.00 C ATOM 824 C TYR A 53 -3.886 -4.729 -5.658 1.00 0.00 C ATOM 825 O TYR A 53 -4.809 -4.763 -6.472 1.00 0.00 O ATOM 826 CB TYR A 53 -5.243 -4.077 -3.661 1.00 0.00 C ATOM 827 CG TYR A 53 -5.289 -3.389 -2.315 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.213 -3.460 -1.439 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.410 -2.669 -1.919 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.251 -2.833 -0.208 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.456 -2.039 -0.690 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.375 -2.124 0.161 1.00 0.00 C ATOM 833 OH TYR A 53 -5.417 -1.499 1.386 1.00 0.00 O ATOM 0 H TYR A 53 -4.642 -1.837 -4.495 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.098 -4.036 -3.796 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.091 -3.743 -4.259 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.359 -5.151 -3.515 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.332 -4.015 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.259 -2.601 -2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.406 -2.898 0.461 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.334 -1.483 -0.398 1.00 0.00 H new ATOM 0 HH TYR A 53 -5.216 -0.546 1.274 1.00 0.00 H new ATOM 843 N SER A 54 -2.787 -5.467 -5.778 1.00 0.00 N ATOM 844 CA SER A 54 -2.598 -6.379 -6.901 1.00 0.00 C ATOM 845 C SER A 54 -3.746 -7.379 -6.988 1.00 0.00 C ATOM 846 O SER A 54 -4.220 -7.887 -5.973 1.00 0.00 O ATOM 847 CB SER A 54 -1.268 -7.122 -6.763 1.00 0.00 C ATOM 848 OG SER A 54 -0.844 -7.644 -8.010 1.00 0.00 O ATOM 0 H SER A 54 -2.014 -5.452 -5.112 1.00 0.00 H new ATOM 0 HA SER A 54 -2.583 -5.789 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.509 -6.445 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.374 -7.933 -6.043 1.00 0.00 H new ATOM 0 HG SER A 54 0.009 -8.113 -7.895 1.00 0.00 H new ATOM 971 N GLU A 62 -7.297 2.636 -2.682 1.00 0.00 N ATOM 972 CA GLU A 62 -7.388 3.630 -1.619 1.00 0.00 C ATOM 973 C GLU A 62 -6.038 4.302 -1.386 1.00 0.00 C ATOM 974 O GLU A 62 -5.040 3.948 -2.013 1.00 0.00 O ATOM 975 CB GLU A 62 -7.877 2.980 -0.323 1.00 0.00 C ATOM 976 CG GLU A 62 -7.071 1.759 0.088 1.00 0.00 C ATOM 977 CD GLU A 62 -5.621 2.090 0.382 1.00 0.00 C ATOM 978 OE1 GLU A 62 -5.370 3.125 1.034 1.00 0.00 O ATOM 979 OE2 GLU A 62 -4.738 1.314 -0.038 1.00 0.00 O ATOM 0 HA GLU A 62 -8.105 4.391 -1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.839 3.717 0.480 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.921 2.692 -0.443 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.524 1.310 0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.116 1.014 -0.707 1.00 0.00 H new ATOM 986 N TRP A 63 -6.017 5.274 -0.480 1.00 0.00 N ATOM 987 CA TRP A 63 -4.790 5.997 -0.164 1.00 0.00 C ATOM 988 C TRP A 63 -4.249 5.580 1.199 1.00 0.00 C ATOM 989 O TRP A 63 -5.011 5.242 2.104 1.00 0.00 O ATOM 990 CB TRP A 63 -5.043 7.505 -0.187 1.00 0.00 C ATOM 991 CG TRP A 63 -5.070 8.082 -1.570 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.150 8.165 -2.402 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.968 8.654 -2.282 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.786 8.754 -3.588 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.452 9.065 -3.540 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.620 8.862 -1.979 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.634 9.668 -4.491 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.809 9.461 -2.924 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.319 9.860 -4.168 1.00 0.00 C ATOM 0 H TRP A 63 -6.835 5.579 0.048 1.00 0.00 H new ATOM 0 HA TRP A 63 -4.046 5.749 -0.921 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.993 7.714 0.305 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.267 8.005 0.393 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.144 7.818 -2.162 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.408 8.931 -4.377 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.219 8.560 -1.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.024 9.974 -5.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.765 9.625 -2.701 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.661 10.328 -4.885 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.927 5.606 1.339 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.284 5.232 2.593 1.00 0.00 C ATOM 1012 C VAL A 64 -1.141 6.184 2.929 1.00 0.00 C ATOM 1013 O VAL A 64 -0.476 6.730 2.049 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.739 3.793 2.536 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.774 2.853 1.937 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.442 3.745 1.743 1.00 0.00 C ATOM 0 H VAL A 64 -2.281 5.882 0.600 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.045 5.294 3.371 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.529 3.463 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.371 1.841 1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.675 2.865 2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.019 3.178 0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.071 2.720 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.624 4.095 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.300 4.385 2.220 1.00 0.00 H new ATOM 1026 N PRO A 65 -0.905 6.387 4.234 1.00 0.00 N ATOM 1027 CA PRO A 65 0.159 7.272 4.717 1.00 0.00 C ATOM 1028 C PRO A 65 1.549 6.705 4.454 1.00 0.00 C ATOM 1029 O PRO A 65 1.705 5.746 3.699 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.108 7.358 6.222 1.00 0.00 C ATOM 1031 CG PRO A 65 -0.834 6.100 6.550 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.659 5.769 5.337 1.00 0.00 C ATOM 0 HA PRO A 65 0.147 8.238 4.212 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.822 7.437 6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.705 8.236 6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.136 5.295 6.778 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.466 6.232 7.428 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.760 4.692 5.201 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.667 6.177 5.413 1.00 0.00 H new ATOM 1040 N GLU A 66 2.556 7.303 5.083 1.00 0.00 N ATOM 1041 CA GLU A 66 3.934 6.855 4.915 1.00 0.00 C ATOM 1042 C GLU A 66 4.288 5.786 5.945 1.00 0.00 C ATOM 1043 O GLU A 66 5.256 5.044 5.777 1.00 0.00 O ATOM 1044 CB GLU A 66 4.897 8.038 5.042 1.00 0.00 C ATOM 1045 CG GLU A 66 6.359 7.652 4.893 1.00 0.00 C ATOM 1046 CD GLU A 66 7.290 8.844 4.990 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.431 9.569 3.983 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.878 9.052 6.072 1.00 0.00 O ATOM 0 H GLU A 66 2.444 8.098 5.713 1.00 0.00 H new ATOM 0 HA GLU A 66 4.029 6.422 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.647 8.782 4.285 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.752 8.511 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.620 6.928 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.505 7.159 3.932 1.00 0.00 H new ATOM 1055 N SER A 67 3.495 5.712 7.009 1.00 0.00 N ATOM 1056 CA SER A 67 3.727 4.737 8.068 1.00 0.00 C ATOM 1057 C SER A 67 3.001 3.428 7.769 1.00 0.00 C ATOM 1058 O SER A 67 3.256 2.405 8.405 1.00 0.00 O ATOM 1059 CB SER A 67 3.262 5.294 9.415 1.00 0.00 C ATOM 1060 OG SER A 67 1.857 5.481 9.432 1.00 0.00 O ATOM 0 H SER A 67 2.687 6.315 7.161 1.00 0.00 H new ATOM 0 HA SER A 67 4.797 4.537 8.116 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.551 4.611 10.214 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.761 6.243 9.611 1.00 0.00 H new ATOM 0 HG SER A 67 1.585 5.836 10.304 1.00 0.00 H new ATOM 1066 N ARG A 68 2.096 3.470 6.796 1.00 0.00 N ATOM 1067 CA ARG A 68 1.332 2.288 6.413 1.00 0.00 C ATOM 1068 C ARG A 68 2.032 1.530 5.289 1.00 0.00 C ATOM 1069 O ARG A 68 1.733 0.364 5.032 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.078 2.687 5.973 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.083 2.724 7.113 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.491 2.426 6.623 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.509 2.971 7.517 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.796 3.056 7.201 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -5.221 2.633 6.019 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.662 3.563 8.069 1.00 0.00 N ATOM 0 H ARG A 68 1.874 4.308 6.259 1.00 0.00 H new ATOM 0 HA ARG A 68 1.262 1.633 7.282 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.038 3.669 5.502 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.426 1.985 5.216 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.799 1.996 7.873 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -1.061 3.705 7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.624 2.844 5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.624 1.348 6.537 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.215 3.305 8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.559 2.241 5.349 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.210 2.699 5.779 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.339 3.888 8.980 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.650 3.628 7.825 1.00 0.00 H new ATOM 1090 N VAL A 69 2.964 2.201 4.620 1.00 0.00 N ATOM 1091 CA VAL A 69 3.707 1.591 3.523 1.00 0.00 C ATOM 1092 C VAL A 69 5.080 1.117 3.986 1.00 0.00 C ATOM 1093 O VAL A 69 5.733 1.771 4.800 1.00 0.00 O ATOM 1094 CB VAL A 69 3.884 2.573 2.350 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.414 1.849 1.122 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.570 3.274 2.040 1.00 0.00 C ATOM 0 H VAL A 69 3.223 3.167 4.818 1.00 0.00 H new ATOM 0 HA VAL A 69 3.125 0.734 3.185 1.00 0.00 H new ATOM 0 HB VAL A 69 4.614 3.329 2.639 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.532 2.559 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.379 1.398 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.711 1.070 0.827 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.713 3.964 1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.817 2.533 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.237 3.828 2.918 1.00 0.00 H new ATOM 1106 N LEU A 70 5.512 -0.025 3.463 1.00 0.00 N ATOM 1107 CA LEU A 70 6.809 -0.588 3.821 1.00 0.00 C ATOM 1108 C LEU A 70 7.774 -0.529 2.641 1.00 0.00 C ATOM 1109 O LEU A 70 7.370 -0.273 1.507 1.00 0.00 O ATOM 1110 CB LEU A 70 6.647 -2.035 4.290 1.00 0.00 C ATOM 1111 CG LEU A 70 5.558 -2.284 5.334 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.465 -3.766 5.666 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.828 -1.470 6.591 1.00 0.00 C ATOM 0 H LEU A 70 4.983 -0.579 2.790 1.00 0.00 H new ATOM 0 HA LEU A 70 7.223 0.007 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.437 -2.657 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.599 -2.372 4.700 1.00 0.00 H new ATOM 0 HG LEU A 70 4.603 -1.965 4.917 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.685 -3.924 6.411 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.224 -4.327 4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.420 -4.111 6.063 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.043 -1.660 7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.792 -1.757 7.010 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.843 -0.409 6.341 1.00 0.00 H new ATOM 1125 N LYS A 71 9.052 -0.770 2.915 1.00 0.00 N ATOM 1126 CA LYS A 71 10.075 -0.748 1.877 1.00 0.00 C ATOM 1127 C LYS A 71 10.149 -2.092 1.158 1.00 0.00 C ATOM 1128 O LYS A 71 11.061 -2.333 0.367 1.00 0.00 O ATOM 1129 CB LYS A 71 11.438 -0.406 2.482 1.00 0.00 C ATOM 1130 CG LYS A 71 11.590 1.060 2.848 1.00 0.00 C ATOM 1131 CD LYS A 71 10.669 1.448 3.992 1.00 0.00 C ATOM 1132 CE LYS A 71 10.909 2.882 4.440 1.00 0.00 C ATOM 1133 NZ LYS A 71 10.684 3.853 3.333 1.00 0.00 N ATOM 0 H LYS A 71 9.404 -0.983 3.848 1.00 0.00 H new ATOM 0 HA LYS A 71 9.804 0.019 1.151 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.593 -1.013 3.374 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.220 -0.678 1.773 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.624 1.260 3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.370 1.678 1.977 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.631 1.332 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.827 0.772 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.245 3.119 5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.930 2.981 4.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.555 4.806 3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.506 3.850 2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.833 3.581 2.800 1.00 0.00 H new ATOM 1147 N TYR A 72 9.184 -2.961 1.437 1.00 0.00 N ATOM 1148 CA TYR A 72 9.140 -4.279 0.817 1.00 0.00 C ATOM 1149 C TYR A 72 10.512 -4.946 0.857 1.00 0.00 C ATOM 1150 O TYR A 72 11.008 -5.436 -0.157 1.00 0.00 O ATOM 1151 CB TYR A 72 8.657 -4.171 -0.630 1.00 0.00 C ATOM 1152 CG TYR A 72 7.856 -5.367 -1.093 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.472 -6.589 -1.334 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.484 -5.275 -1.290 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.745 -7.684 -1.757 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.748 -6.366 -1.711 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.383 -7.568 -1.944 1.00 0.00 C ATOM 1158 OH TYR A 72 5.654 -8.656 -2.366 1.00 0.00 O ATOM 0 H TYR A 72 8.422 -2.776 2.089 1.00 0.00 H new ATOM 0 HA TYR A 72 8.439 -4.894 1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 72 8.047 -3.274 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.520 -4.048 -1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.538 -6.684 -1.188 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.984 -4.335 -1.111 1.00 0.00 H new ATOM 0 HE1 TYR A 72 8.240 -8.626 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.682 -6.278 -1.857 1.00 0.00 H new ATOM 0 HH TYR A 72 4.710 -8.406 -2.447 1.00 0.00 H new ATOM 1168 N VAL A 73 11.121 -4.961 2.039 1.00 0.00 N ATOM 1169 CA VAL A 73 12.434 -5.568 2.215 1.00 0.00 C ATOM 1170 C VAL A 73 12.353 -6.807 3.100 1.00 0.00 C ATOM 1171 O VAL A 73 11.366 -7.015 3.805 1.00 0.00 O ATOM 1172 CB VAL A 73 13.434 -4.574 2.834 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.753 -3.456 1.852 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.887 -4.010 4.137 1.00 0.00 C ATOM 0 H VAL A 73 10.725 -4.559 2.889 1.00 0.00 H new ATOM 0 HA VAL A 73 12.785 -5.855 1.224 1.00 0.00 H new ATOM 0 HB VAL A 73 14.359 -5.106 3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.461 -2.763 2.307 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.190 -3.880 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.837 -2.923 1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.607 -3.309 4.561 1.00 0.00 H new ATOM 0 HG22 VAL A 73 11.947 -3.492 3.943 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.715 -4.824 4.842 1.00 0.00 H new ATOM 1184 N ASP A 74 13.397 -7.627 3.057 1.00 0.00 N ATOM 1185 CA ASP A 74 13.446 -8.846 3.856 1.00 0.00 C ATOM 1186 C ASP A 74 12.751 -8.643 5.199 1.00 0.00 C ATOM 1187 O ASP A 74 11.825 -9.375 5.549 1.00 0.00 O ATOM 1188 CB ASP A 74 14.896 -9.279 4.078 1.00 0.00 C ATOM 1189 CG ASP A 74 15.795 -8.909 2.915 1.00 0.00 C ATOM 1190 OD1 ASP A 74 16.245 -7.745 2.859 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.049 -9.783 2.060 1.00 0.00 O ATOM 0 H ASP A 74 14.221 -7.470 2.477 1.00 0.00 H new ATOM 0 HA ASP A 74 12.921 -9.630 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.275 -8.815 4.989 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.931 -10.358 4.231 1.00 0.00 H new ATOM 1196 N THR A 75 13.206 -7.644 5.950 1.00 0.00 N ATOM 1197 CA THR A 75 12.630 -7.346 7.255 1.00 0.00 C ATOM 1198 C THR A 75 11.113 -7.228 7.173 1.00 0.00 C ATOM 1199 O THR A 75 10.387 -7.966 7.838 1.00 0.00 O ATOM 1200 CB THR A 75 13.204 -6.040 7.837 1.00 0.00 C ATOM 1201 OG1 THR A 75 14.631 -6.130 7.928 1.00 0.00 O ATOM 1202 CG2 THR A 75 12.620 -5.758 9.213 1.00 0.00 C ATOM 0 H THR A 75 13.972 -7.028 5.676 1.00 0.00 H new ATOM 0 HA THR A 75 12.892 -8.175 7.913 1.00 0.00 H new ATOM 0 HB THR A 75 12.933 -5.221 7.170 1.00 0.00 H new ATOM 0 HG1 THR A 75 14.989 -5.296 8.297 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.040 -4.831 9.604 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.537 -5.661 9.136 1.00 0.00 H new ATOM 0 HG23 THR A 75 12.864 -6.579 9.887 1.00 0.00 H new ATOM 1210 N ASN A 76 10.640 -6.295 6.353 1.00 0.00 N ATOM 1211 CA ASN A 76 9.207 -6.081 6.184 1.00 0.00 C ATOM 1212 C ASN A 76 8.516 -7.362 5.724 1.00 0.00 C ATOM 1213 O ASN A 76 7.346 -7.594 6.032 1.00 0.00 O ATOM 1214 CB ASN A 76 8.953 -4.961 5.174 1.00 0.00 C ATOM 1215 CG ASN A 76 9.400 -3.606 5.689 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.931 -2.780 4.795 1.00 0.00 O flip ATOM 1217 ND2 ASN A 76 9.269 -3.307 6.876 1.00 0.00 N flip ATOM 0 H ASN A 76 11.228 -5.675 5.795 1.00 0.00 H new ATOM 0 HA ASN A 76 8.792 -5.792 7.149 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.479 -5.186 4.246 1.00 0.00 H new ATOM 0 HB3 ASN A 76 7.890 -4.924 4.936 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.855 -3.974 7.527 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.574 -2.392 7.208 1.00 0.00 H new ATOM 1224 N LEU A 77 9.247 -8.189 4.986 1.00 0.00 N ATOM 1225 CA LEU A 77 8.706 -9.448 4.484 1.00 0.00 C ATOM 1226 C LEU A 77 8.522 -10.452 5.617 1.00 0.00 C ATOM 1227 O LEU A 77 7.506 -11.144 5.686 1.00 0.00 O ATOM 1228 CB LEU A 77 9.630 -10.032 3.414 1.00 0.00 C ATOM 1229 CG LEU A 77 9.650 -9.300 2.071 1.00 0.00 C ATOM 1230 CD1 LEU A 77 10.765 -9.837 1.187 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.304 -9.430 1.373 1.00 0.00 C ATOM 0 H LEU A 77 10.216 -8.011 4.722 1.00 0.00 H new ATOM 0 HA LEU A 77 7.731 -9.245 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.645 -10.050 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.338 -11.067 3.236 1.00 0.00 H new ATOM 0 HG LEU A 77 9.840 -8.243 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.764 -9.304 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.725 -9.692 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.607 -10.900 1.008 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.336 -8.903 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.085 -10.483 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.525 -8.997 2.001 1.00 0.00 H new ATOM 1243 N GLN A 78 9.510 -10.524 6.503 1.00 0.00 N ATOM 1244 CA GLN A 78 9.455 -11.443 7.634 1.00 0.00 C ATOM 1245 C GLN A 78 8.097 -11.377 8.324 1.00 0.00 C ATOM 1246 O GLN A 78 7.620 -12.369 8.876 1.00 0.00 O ATOM 1247 CB GLN A 78 10.566 -11.120 8.635 1.00 0.00 C ATOM 1248 CG GLN A 78 11.942 -11.003 8.000 1.00 0.00 C ATOM 1249 CD GLN A 78 13.056 -11.407 8.945 1.00 0.00 C ATOM 1250 OE1 GLN A 78 12.849 -12.197 9.867 1.00 0.00 O ATOM 1251 NE2 GLN A 78 14.249 -10.867 8.720 1.00 0.00 N ATOM 0 H GLN A 78 10.357 -9.958 6.460 1.00 0.00 H new ATOM 0 HA GLN A 78 9.600 -12.455 7.255 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.327 -10.184 9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 78 10.592 -11.897 9.399 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.981 -11.629 7.109 1.00 0.00 H new ATOM 0 HG3 GLN A 78 12.102 -9.975 7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 78 14.376 -10.217 7.945 1.00 0.00 H new ATOM 0 HE22 GLN A 78 15.037 -11.103 9.323 1.00 0.00 H new ATOM 1260 N LYS A 79 7.478 -10.202 8.289 1.00 0.00 N ATOM 1261 CA LYS A 79 6.173 -10.005 8.910 1.00 0.00 C ATOM 1262 C LYS A 79 5.051 -10.408 7.959 1.00 0.00 C ATOM 1263 O LYS A 79 4.259 -11.299 8.263 1.00 0.00 O ATOM 1264 CB LYS A 79 6.000 -8.543 9.329 1.00 0.00 C ATOM 1265 CG LYS A 79 4.552 -8.088 9.363 1.00 0.00 C ATOM 1266 CD LYS A 79 4.444 -6.586 9.566 1.00 0.00 C ATOM 1267 CE LYS A 79 4.336 -6.229 11.041 1.00 0.00 C ATOM 1268 NZ LYS A 79 5.675 -6.039 11.665 1.00 0.00 N ATOM 0 H LYS A 79 7.859 -9.371 7.837 1.00 0.00 H new ATOM 0 HA LYS A 79 6.121 -10.639 9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.440 -8.402 10.316 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.556 -7.908 8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.060 -8.366 8.431 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.026 -8.603 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.317 -6.096 9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.571 -6.208 9.034 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.751 -5.316 11.152 1.00 0.00 H new ATOM 0 HE3 LYS A 79 3.799 -7.018 11.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.577 -5.469 12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.081 -6.966 11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.303 -5.549 10.996 1.00 0.00 H new ATOM 1282 N GLN A 80 4.992 -9.748 6.807 1.00 0.00 N ATOM 1283 CA GLN A 80 3.967 -10.039 5.812 1.00 0.00 C ATOM 1284 C GLN A 80 3.602 -11.520 5.823 1.00 0.00 C ATOM 1285 O GLN A 80 2.436 -11.883 5.670 1.00 0.00 O ATOM 1286 CB GLN A 80 4.449 -9.631 4.418 1.00 0.00 C ATOM 1287 CG GLN A 80 3.500 -10.039 3.303 1.00 0.00 C ATOM 1288 CD GLN A 80 4.219 -10.312 1.996 1.00 0.00 C ATOM 1289 OE1 GLN A 80 5.178 -9.624 1.646 1.00 0.00 O ATOM 1290 NE2 GLN A 80 3.758 -11.321 1.266 1.00 0.00 N ATOM 0 H GLN A 80 5.642 -9.008 6.540 1.00 0.00 H new ATOM 0 HA GLN A 80 3.077 -9.462 6.065 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.584 -8.550 4.391 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.426 -10.079 4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 80 2.952 -10.932 3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.764 -9.250 3.150 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.960 -11.865 1.594 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.202 -11.552 0.377 1.00 0.00 H new ATOM 1299 N ARG A 81 4.607 -12.370 6.005 1.00 0.00 N ATOM 1300 CA ARG A 81 4.392 -13.812 6.035 1.00 0.00 C ATOM 1301 C ARG A 81 3.801 -14.246 7.373 1.00 0.00 C ATOM 1302 O ARG A 81 2.824 -14.993 7.417 1.00 0.00 O ATOM 1303 CB ARG A 81 5.708 -14.551 5.783 1.00 0.00 C ATOM 1304 CG ARG A 81 6.749 -14.328 6.868 1.00 0.00 C ATOM 1305 CD ARG A 81 8.083 -14.958 6.498 1.00 0.00 C ATOM 1306 NE ARG A 81 8.396 -14.784 5.082 1.00 0.00 N ATOM 1307 CZ ARG A 81 7.958 -15.598 4.127 1.00 0.00 C ATOM 1308 NH1 ARG A 81 7.192 -16.635 4.435 1.00 0.00 N ATOM 1309 NH2 ARG A 81 8.286 -15.374 2.861 1.00 0.00 N ATOM 0 H ARG A 81 5.578 -12.085 6.134 1.00 0.00 H new ATOM 0 HA ARG A 81 3.684 -14.065 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.505 -15.619 5.700 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.118 -14.229 4.826 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.883 -13.259 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.394 -14.751 7.807 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.874 -14.513 7.102 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.060 -16.021 6.736 1.00 0.00 H new ATOM 0 HE ARG A 81 8.983 -13.995 4.811 1.00 0.00 H new ATOM 0 HH11 ARG A 81 6.937 -16.810 5.407 1.00 0.00 H new ATOM 0 HH12 ARG A 81 6.857 -17.258 3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.875 -14.577 2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 81 7.949 -15.999 2.129 1.00 0.00 H new ATOM 1323 N GLU A 82 4.401 -13.773 8.461 1.00 0.00 N ATOM 1324 CA GLU A 82 3.934 -14.114 9.799 1.00 0.00 C ATOM 1325 C GLU A 82 2.459 -13.763 9.967 1.00 0.00 C ATOM 1326 O GLU A 82 1.708 -14.485 10.624 1.00 0.00 O ATOM 1327 CB GLU A 82 4.766 -13.382 10.855 1.00 0.00 C ATOM 1328 CG GLU A 82 4.179 -12.045 11.274 1.00 0.00 C ATOM 1329 CD GLU A 82 5.188 -11.159 11.978 1.00 0.00 C ATOM 1330 OE1 GLU A 82 6.074 -11.703 12.671 1.00 0.00 O ATOM 1331 OE2 GLU A 82 5.093 -9.922 11.836 1.00 0.00 O ATOM 0 H GLU A 82 5.211 -13.153 8.442 1.00 0.00 H new ATOM 0 HA GLU A 82 4.052 -15.189 9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.862 -14.018 11.735 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.772 -13.222 10.466 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.799 -11.527 10.393 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.329 -12.217 11.934 1.00 0.00 H new ATOM 1338 N LEU A 83 2.050 -12.650 9.369 1.00 0.00 N ATOM 1339 CA LEU A 83 0.664 -12.201 9.451 1.00 0.00 C ATOM 1340 C LEU A 83 -0.227 -13.013 8.516 1.00 0.00 C ATOM 1341 O LEU A 83 -1.237 -13.575 8.939 1.00 0.00 O ATOM 1342 CB LEU A 83 0.567 -10.715 9.104 1.00 0.00 C ATOM 1343 CG LEU A 83 1.509 -9.784 9.867 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.433 -8.372 9.309 1.00 0.00 C ATOM 1345 CD2 LEU A 83 1.178 -9.791 11.352 1.00 0.00 C ATOM 0 H LEU A 83 2.658 -12.041 8.822 1.00 0.00 H new ATOM 0 HA LEU A 83 0.319 -12.352 10.474 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.759 -10.598 8.037 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.457 -10.387 9.281 1.00 0.00 H new ATOM 0 HG LEU A 83 2.529 -10.148 9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.111 -7.724 9.865 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.720 -8.380 8.258 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.414 -7.998 9.404 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.859 -9.123 11.880 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.152 -9.453 11.498 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.286 -10.802 11.744 1.00 0.00 H new ATOM 1357 N GLN A 84 0.156 -13.071 7.244 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.608 -13.816 6.251 1.00 0.00 C ATOM 1359 C GLN A 84 -0.697 -15.292 6.626 1.00 0.00 C ATOM 1360 O GLN A 84 -1.631 -15.989 6.229 1.00 0.00 O ATOM 1361 CB GLN A 84 0.030 -13.667 4.869 1.00 0.00 C ATOM 1362 CG GLN A 84 -0.218 -12.311 4.227 1.00 0.00 C ATOM 1363 CD GLN A 84 0.370 -12.209 2.834 1.00 0.00 C ATOM 1364 OE1 GLN A 84 0.535 -13.213 2.141 1.00 0.00 O ATOM 1365 NE2 GLN A 84 0.690 -10.990 2.414 1.00 0.00 N ATOM 0 H GLN A 84 0.990 -12.611 6.878 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.617 -13.406 6.224 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.105 -13.828 4.955 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.358 -14.447 4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -1.291 -12.127 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.211 -11.531 4.856 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.537 -10.185 3.021 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.089 -10.859 1.484 1.00 0.00 H new ATOM 1374 N LYS A 85 0.281 -15.762 7.393 1.00 0.00 N ATOM 1375 CA LYS A 85 0.313 -17.155 7.823 1.00 0.00 C ATOM 1376 C LYS A 85 -0.313 -17.312 9.205 1.00 0.00 C ATOM 1377 O LYS A 85 -0.738 -18.403 9.584 1.00 0.00 O ATOM 1378 CB LYS A 85 1.754 -17.670 7.843 1.00 0.00 C ATOM 1379 CG LYS A 85 2.588 -17.099 8.977 1.00 0.00 C ATOM 1380 CD LYS A 85 2.512 -17.971 10.219 1.00 0.00 C ATOM 1381 CE LYS A 85 3.575 -19.059 10.203 1.00 0.00 C ATOM 1382 NZ LYS A 85 3.453 -19.971 11.374 1.00 0.00 N ATOM 0 H LYS A 85 1.062 -15.199 7.730 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.267 -17.743 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.741 -18.757 7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.231 -17.427 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.626 -17.010 8.657 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.240 -16.094 9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 85 2.637 -17.352 11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.524 -18.427 10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.490 -19.637 9.283 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.564 -18.601 10.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.195 -20.698 11.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.560 -19.424 12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.519 -20.428 11.362 1.00 0.00 H new