USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 758 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 86 HIS : no HD1:sc= -0.124 K(o=-0.53,f=-7.4!) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.406 K(o=-0.53,f=-2) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -176:sc= 0.615! (180deg=-0.197) USER MOD Set 2.2: A 117 GLN : amide:sc= 2.14 K(o=2.8,f=-9.9!) USER MOD Single : A 29 ASN : amide:sc= 0.678 K(o=0.68,f=-3.6!) USER MOD Single : A 30 GLN : amide:sc= -1.69! K(o=-1.7!,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0.891 (180deg=0.481) USER MOD Single : A 40 LYS NZ :NH3+ -150:sc= 1.19 (180deg=0.36) USER MOD Single : A 41 SER OG : rot -3:sc= 0.008 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -4.49! K(o=-4.5!,f=-0.47) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.17) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.116) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 83 SER OG : rot -37:sc= 0.692 USER MOD Single : A 84 ASN : amide:sc= -0.191 K(o=-0.19,f=-1.3!) USER MOD Single : A 97 ASN : amide:sc= 0.291 K(o=0.29,f=-0.89) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HE2:sc= 1.11 K(o=1.1,f=-5.4!) USER MOD Single : A 106 THR OG1 : rot -160:sc= 0.00834 USER MOD Single : A 108 CYS SG : rot 2:sc= -1.19! USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc= -4.06! C(o=-4.1!,f=-10!) USER MOD Single : A 116 TYR OH : rot -34:sc= -1.13 USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 CYS SG : rot -25:sc= 0.239 USER MOD ----------------------------------------------------------------- ATOM 180 N ARG A 28 2.826 15.873 2.195 1.00 0.00 N ATOM 181 CA ARG A 28 1.386 16.021 2.015 1.00 0.00 C ATOM 182 C ARG A 28 0.966 15.688 0.583 1.00 0.00 C ATOM 183 O ARG A 28 -0.122 15.170 0.349 1.00 0.00 O ATOM 184 CB ARG A 28 0.942 17.431 2.420 1.00 0.00 C ATOM 185 CG ARG A 28 1.975 18.502 2.134 1.00 0.00 C ATOM 186 CD ARG A 28 1.907 18.935 0.688 1.00 0.00 C ATOM 187 NE ARG A 28 3.141 19.582 0.250 1.00 0.00 N ATOM 188 CZ ARG A 28 3.226 20.857 -0.107 1.00 0.00 C ATOM 189 NH1 ARG A 28 2.156 21.644 -0.046 1.00 0.00 N ATOM 190 NH2 ARG A 28 4.388 21.343 -0.523 1.00 0.00 N ATOM 0 HA ARG A 28 0.883 15.307 2.667 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.021 17.678 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.711 17.437 3.485 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.806 19.360 2.784 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.972 18.123 2.359 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.710 18.067 0.059 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.071 19.622 0.554 1.00 0.00 H new ATOM 0 HE ARG A 28 3.991 19.018 0.216 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.264 21.268 0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.227 22.623 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.208 20.738 -0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.462 22.322 -0.799 1.00 0.00 H new ATOM 204 N ASN A 29 1.835 15.978 -0.368 1.00 0.00 N ATOM 205 CA ASN A 29 1.656 15.525 -1.736 1.00 0.00 C ATOM 206 C ASN A 29 2.695 14.449 -2.009 1.00 0.00 C ATOM 207 O ASN A 29 3.713 14.397 -1.327 1.00 0.00 O ATOM 208 CB ASN A 29 1.761 16.685 -2.738 1.00 0.00 C ATOM 209 CG ASN A 29 3.147 17.294 -2.832 1.00 0.00 C ATOM 210 OD1 ASN A 29 3.909 17.305 -1.866 1.00 0.00 O ATOM 211 ND2 ASN A 29 3.473 17.825 -3.998 1.00 0.00 N ATOM 0 H ASN A 29 2.679 16.530 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 29 0.654 15.114 -1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.464 16.328 -3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.052 17.463 -2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.385 18.265 -4.121 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.812 17.795 -4.775 1.00 0.00 H new ATOM 218 N GLN A 30 2.452 13.611 -3.005 1.00 0.00 N ATOM 219 CA GLN A 30 3.168 12.341 -3.127 1.00 0.00 C ATOM 220 C GLN A 30 4.560 12.492 -3.742 1.00 0.00 C ATOM 221 O GLN A 30 4.700 12.809 -4.927 1.00 0.00 O ATOM 222 CB GLN A 30 2.347 11.364 -3.977 1.00 0.00 C ATOM 223 CG GLN A 30 3.142 10.147 -4.428 1.00 0.00 C ATOM 224 CD GLN A 30 2.441 9.326 -5.493 1.00 0.00 C ATOM 225 OE1 GLN A 30 2.673 8.126 -5.615 1.00 0.00 O ATOM 226 NE2 GLN A 30 1.583 9.965 -6.271 1.00 0.00 N ATOM 0 H GLN A 30 1.767 13.783 -3.741 1.00 0.00 H new ATOM 0 HA GLN A 30 3.301 11.959 -2.115 1.00 0.00 H new ATOM 0 HB2 GLN A 30 1.481 11.032 -3.403 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.967 11.887 -4.854 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.108 10.476 -4.811 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.341 9.513 -3.564 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.418 10.963 -6.137 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.086 9.460 -7.005 1.00 0.00 H new ATOM 235 N PRO A 31 5.609 12.267 -2.925 1.00 0.00 N ATOM 236 CA PRO A 31 6.976 12.082 -3.395 1.00 0.00 C ATOM 237 C PRO A 31 7.164 10.655 -3.903 1.00 0.00 C ATOM 238 O PRO A 31 6.178 9.961 -4.163 1.00 0.00 O ATOM 239 CB PRO A 31 7.842 12.339 -2.151 1.00 0.00 C ATOM 240 CG PRO A 31 6.892 12.691 -1.050 1.00 0.00 C ATOM 241 CD PRO A 31 5.550 12.166 -1.465 1.00 0.00 C ATOM 0 HA PRO A 31 7.236 12.744 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.427 11.456 -1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 31 8.550 13.149 -2.329 1.00 0.00 H new ATOM 0 HG2 PRO A 31 7.208 12.246 -0.107 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.857 13.770 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 31 5.396 11.139 -1.135 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.736 12.760 -1.050 1.00 0.00 H new ATOM 249 N LEU A 32 8.406 10.218 -4.074 1.00 0.00 N ATOM 250 CA LEU A 32 8.675 8.841 -4.485 1.00 0.00 C ATOM 251 C LEU A 32 7.955 7.863 -3.552 1.00 0.00 C ATOM 252 O LEU A 32 8.014 8.014 -2.336 1.00 0.00 O ATOM 253 CB LEU A 32 10.180 8.574 -4.475 1.00 0.00 C ATOM 254 CG LEU A 32 10.596 7.248 -5.105 1.00 0.00 C ATOM 255 CD1 LEU A 32 10.314 7.250 -6.601 1.00 0.00 C ATOM 256 CD2 LEU A 32 12.065 6.970 -4.836 1.00 0.00 C ATOM 0 H LEU A 32 9.239 10.791 -3.936 1.00 0.00 H new ATOM 0 HA LEU A 32 8.302 8.696 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.683 9.385 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.533 8.597 -3.444 1.00 0.00 H new ATOM 0 HG LEU A 32 10.006 6.452 -4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.618 6.295 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.248 7.400 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.874 8.056 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.345 6.021 -5.292 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.671 7.770 -5.262 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.235 6.920 -3.760 1.00 0.00 H new ATOM 268 N LYS A 33 7.255 6.882 -4.128 1.00 0.00 N ATOM 269 CA LYS A 33 6.452 5.948 -3.334 1.00 0.00 C ATOM 270 C LYS A 33 7.304 5.229 -2.296 1.00 0.00 C ATOM 271 O LYS A 33 8.152 4.401 -2.626 1.00 0.00 O ATOM 272 CB LYS A 33 5.696 4.936 -4.218 1.00 0.00 C ATOM 273 CG LYS A 33 6.253 4.742 -5.627 1.00 0.00 C ATOM 274 CD LYS A 33 7.611 4.042 -5.643 1.00 0.00 C ATOM 275 CE LYS A 33 7.545 2.636 -5.053 1.00 0.00 C ATOM 276 NZ LYS A 33 8.815 1.887 -5.260 1.00 0.00 N ATOM 0 H LYS A 33 7.228 6.714 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 33 5.705 6.543 -2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.693 3.971 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.657 5.257 -4.299 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.544 4.159 -6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.346 5.714 -6.112 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.977 3.987 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.330 4.637 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.331 2.700 -3.986 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.722 2.088 -5.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.729 0.937 -4.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.007 1.804 -6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.597 2.396 -4.801 1.00 0.00 H new ATOM 290 N LYS A 34 7.085 5.578 -1.037 1.00 0.00 N ATOM 291 CA LYS A 34 7.884 5.047 0.056 1.00 0.00 C ATOM 292 C LYS A 34 7.200 3.871 0.747 1.00 0.00 C ATOM 293 O LYS A 34 7.854 3.085 1.432 1.00 0.00 O ATOM 294 CB LYS A 34 8.179 6.155 1.068 1.00 0.00 C ATOM 295 CG LYS A 34 9.019 7.300 0.508 1.00 0.00 C ATOM 296 CD LYS A 34 10.479 6.909 0.329 1.00 0.00 C ATOM 297 CE LYS A 34 10.687 6.094 -0.933 1.00 0.00 C ATOM 298 NZ LYS A 34 12.099 5.656 -1.091 1.00 0.00 N ATOM 0 H LYS A 34 6.356 6.230 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 34 8.818 4.677 -0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.235 6.557 1.437 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.697 5.723 1.924 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.609 7.614 -0.452 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.954 8.157 1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.095 7.808 0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.811 6.334 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.037 5.219 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.393 6.687 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.195 5.102 -1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.718 6.490 -1.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.373 5.068 -0.278 1.00 0.00 H new ATOM 312 N GLU A 35 5.892 3.750 0.578 1.00 0.00 N ATOM 313 CA GLU A 35 5.156 2.656 1.197 1.00 0.00 C ATOM 314 C GLU A 35 4.604 1.692 0.156 1.00 0.00 C ATOM 315 O GLU A 35 4.639 1.955 -1.048 1.00 0.00 O ATOM 316 CB GLU A 35 4.020 3.175 2.085 1.00 0.00 C ATOM 317 CG GLU A 35 4.513 3.892 3.328 1.00 0.00 C ATOM 318 CD GLU A 35 3.501 3.877 4.460 1.00 0.00 C ATOM 319 OE1 GLU A 35 3.409 2.844 5.159 1.00 0.00 O ATOM 320 OE2 GLU A 35 2.812 4.901 4.676 1.00 0.00 O ATOM 0 H GLU A 35 5.322 4.389 0.023 1.00 0.00 H new ATOM 0 HA GLU A 35 5.865 2.115 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.396 3.855 1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.389 2.338 2.383 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.437 3.425 3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.752 4.925 3.075 1.00 0.00 H new ATOM 327 N LYS A 36 4.107 0.575 0.656 1.00 0.00 N ATOM 328 CA LYS A 36 3.585 -0.507 -0.169 1.00 0.00 C ATOM 329 C LYS A 36 2.067 -0.581 -0.035 1.00 0.00 C ATOM 330 O LYS A 36 1.516 -0.074 0.943 1.00 0.00 O ATOM 331 CB LYS A 36 4.240 -1.830 0.253 1.00 0.00 C ATOM 332 CG LYS A 36 4.641 -1.862 1.718 1.00 0.00 C ATOM 333 CD LYS A 36 5.322 -3.155 2.102 1.00 0.00 C ATOM 334 CE LYS A 36 6.009 -2.983 3.440 1.00 0.00 C ATOM 335 NZ LYS A 36 6.301 -4.277 4.108 1.00 0.00 N ATOM 0 H LYS A 36 4.053 0.389 1.657 1.00 0.00 H new ATOM 0 HA LYS A 36 3.822 -0.318 -1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.549 -2.649 0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.123 -2.002 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.309 -1.027 1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.755 -1.724 2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.591 -3.962 2.157 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.050 -3.436 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.940 -2.435 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.379 -2.377 4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.693 -4.098 5.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.424 -4.828 4.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.991 -4.812 3.543 1.00 0.00 H new ATOM 349 N PRO A 37 1.376 -1.217 -1.006 1.00 0.00 N ATOM 350 CA PRO A 37 -0.089 -1.271 -1.026 1.00 0.00 C ATOM 351 C PRO A 37 -0.668 -1.749 0.300 1.00 0.00 C ATOM 352 O PRO A 37 -0.257 -2.775 0.851 1.00 0.00 O ATOM 353 CB PRO A 37 -0.424 -2.252 -2.141 1.00 0.00 C ATOM 354 CG PRO A 37 0.805 -2.343 -2.991 1.00 0.00 C ATOM 355 CD PRO A 37 1.976 -1.938 -2.140 1.00 0.00 C ATOM 0 HA PRO A 37 -0.518 -0.282 -1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.691 -3.228 -1.735 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.277 -1.904 -2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.937 -3.358 -3.366 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.719 -1.691 -3.860 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.541 -2.807 -1.803 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.668 -1.303 -2.693 1.00 0.00 H new ATOM 363 N LYS A 38 -1.607 -0.984 0.817 1.00 0.00 N ATOM 364 CA LYS A 38 -2.107 -1.195 2.153 1.00 0.00 C ATOM 365 C LYS A 38 -3.560 -1.642 2.160 1.00 0.00 C ATOM 366 O LYS A 38 -4.437 -0.964 1.630 1.00 0.00 O ATOM 367 CB LYS A 38 -1.983 0.088 2.931 1.00 0.00 C ATOM 368 CG LYS A 38 -2.202 -0.061 4.417 1.00 0.00 C ATOM 369 CD LYS A 38 -2.284 1.305 5.055 1.00 0.00 C ATOM 370 CE LYS A 38 -3.436 2.105 4.471 1.00 0.00 C ATOM 371 NZ LYS A 38 -3.268 3.561 4.714 1.00 0.00 N ATOM 0 H LYS A 38 -2.041 -0.204 0.324 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.514 -1.988 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.991 0.507 2.762 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.703 0.807 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.120 -0.618 4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.386 -0.632 4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.417 1.201 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.348 1.841 4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.502 1.920 3.399 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.374 1.768 4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.104 4.070 4.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.162 3.733 5.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.421 3.901 4.216 1.00 0.00 H new ATOM 385 N TRP A 39 -3.780 -2.782 2.775 1.00 0.00 N ATOM 386 CA TRP A 39 -5.123 -3.311 3.031 1.00 0.00 C ATOM 387 C TRP A 39 -5.015 -4.604 3.843 1.00 0.00 C ATOM 388 O TRP A 39 -5.906 -5.449 3.819 1.00 0.00 O ATOM 389 CB TRP A 39 -5.857 -3.581 1.708 1.00 0.00 C ATOM 390 CG TRP A 39 -5.345 -4.792 0.979 1.00 0.00 C ATOM 391 CD1 TRP A 39 -4.066 -5.022 0.552 1.00 0.00 C ATOM 392 CD2 TRP A 39 -6.110 -5.938 0.586 1.00 0.00 C ATOM 393 NE1 TRP A 39 -3.993 -6.243 -0.070 1.00 0.00 N ATOM 394 CE2 TRP A 39 -5.232 -6.821 -0.067 1.00 0.00 C ATOM 395 CE3 TRP A 39 -7.452 -6.305 0.724 1.00 0.00 C ATOM 396 CZ2 TRP A 39 -5.646 -8.044 -0.582 1.00 0.00 C ATOM 397 CZ3 TRP A 39 -7.862 -7.522 0.214 1.00 0.00 C ATOM 398 CH2 TRP A 39 -6.963 -8.377 -0.436 1.00 0.00 C ATOM 0 H TRP A 39 -3.031 -3.383 3.120 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.693 -2.573 3.596 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -6.920 -3.710 1.910 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.759 -2.709 1.062 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -3.237 -4.343 0.685 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.150 -6.654 -0.470 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.154 -5.651 1.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -4.953 -8.706 -1.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.895 -7.819 0.319 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -7.318 -9.318 -0.830 1.00 0.00 H new ATOM 409 N LYS A 40 -3.921 -4.737 4.585 1.00 0.00 N ATOM 410 CA LYS A 40 -3.558 -6.008 5.185 1.00 0.00 C ATOM 411 C LYS A 40 -2.641 -5.804 6.377 1.00 0.00 C ATOM 412 O LYS A 40 -2.108 -4.710 6.582 1.00 0.00 O ATOM 413 CB LYS A 40 -2.886 -6.919 4.141 1.00 0.00 C ATOM 414 CG LYS A 40 -1.836 -6.233 3.262 1.00 0.00 C ATOM 415 CD LYS A 40 -0.587 -5.827 4.038 1.00 0.00 C ATOM 416 CE LYS A 40 0.452 -5.161 3.143 1.00 0.00 C ATOM 417 NZ LYS A 40 1.404 -4.320 3.928 1.00 0.00 N ATOM 0 H LYS A 40 -3.271 -3.976 4.783 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.470 -6.490 5.538 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.414 -7.754 4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.658 -7.339 3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.552 -6.905 2.452 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.276 -5.348 2.802 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.865 -5.144 4.840 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -0.150 -6.708 4.507 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.006 -5.926 2.599 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.051 -4.543 2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 1.736 -3.530 3.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.923 -3.946 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.217 -4.898 4.222 1.00 0.00 H new ATOM 431 N SER A 41 -2.480 -6.850 7.165 1.00 0.00 N ATOM 432 CA SER A 41 -1.421 -6.898 8.150 1.00 0.00 C ATOM 433 C SER A 41 -0.097 -7.012 7.415 1.00 0.00 C ATOM 434 O SER A 41 0.046 -7.854 6.527 1.00 0.00 O ATOM 435 CB SER A 41 -1.617 -8.106 9.066 1.00 0.00 C ATOM 436 OG SER A 41 -2.860 -8.031 9.742 1.00 0.00 O ATOM 0 H SER A 41 -3.072 -7.680 7.140 1.00 0.00 H new ATOM 0 HA SER A 41 -1.434 -5.997 8.763 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.572 -9.024 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.806 -8.152 9.792 1.00 0.00 H new ATOM 0 HG SER A 41 -3.309 -7.192 9.509 1.00 0.00 H new ATOM 442 N ASP A 42 0.855 -6.151 7.739 1.00 0.00 N ATOM 443 CA ASP A 42 2.160 -6.228 7.106 1.00 0.00 C ATOM 444 C ASP A 42 2.944 -7.373 7.723 1.00 0.00 C ATOM 445 O ASP A 42 3.916 -7.865 7.150 1.00 0.00 O ATOM 446 CB ASP A 42 2.926 -4.912 7.229 1.00 0.00 C ATOM 447 CG ASP A 42 4.079 -4.846 6.247 1.00 0.00 C ATOM 448 OD1 ASP A 42 3.825 -4.924 5.021 1.00 0.00 O ATOM 449 OD2 ASP A 42 5.239 -4.698 6.684 1.00 0.00 O ATOM 0 H ASP A 42 0.751 -5.403 8.425 1.00 0.00 H new ATOM 0 HA ASP A 42 2.022 -6.413 6.041 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.248 -4.077 7.052 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.306 -4.804 8.245 1.00 0.00 H new ATOM 454 N TYR A 43 2.498 -7.798 8.896 1.00 0.00 N ATOM 455 CA TYR A 43 3.003 -9.011 9.512 1.00 0.00 C ATOM 456 C TYR A 43 1.825 -9.850 10.012 1.00 0.00 C ATOM 457 O TYR A 43 1.530 -9.892 11.208 1.00 0.00 O ATOM 458 CB TYR A 43 3.980 -8.680 10.643 1.00 0.00 C ATOM 459 CG TYR A 43 4.742 -9.883 11.147 1.00 0.00 C ATOM 460 CD1 TYR A 43 5.848 -10.368 10.461 1.00 0.00 C ATOM 461 CD2 TYR A 43 4.350 -10.539 12.302 1.00 0.00 C ATOM 462 CE1 TYR A 43 6.540 -11.476 10.915 1.00 0.00 C ATOM 463 CE2 TYR A 43 5.032 -11.648 12.760 1.00 0.00 C ATOM 464 CZ TYR A 43 6.124 -12.111 12.065 1.00 0.00 C ATOM 465 OH TYR A 43 6.801 -13.221 12.516 1.00 0.00 O ATOM 0 H TYR A 43 1.783 -7.316 9.441 1.00 0.00 H new ATOM 0 HA TYR A 43 3.556 -9.592 8.773 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.689 -7.930 10.293 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.429 -8.235 11.471 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.173 -9.872 9.558 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.496 -10.176 12.854 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.400 -11.841 10.372 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.709 -12.150 13.660 1.00 0.00 H new ATOM 0 HH TYR A 43 6.381 -13.548 13.339 1.00 0.00 H new ATOM 475 N PRO A 44 1.113 -10.507 9.074 1.00 0.00 N ATOM 476 CA PRO A 44 -0.084 -11.323 9.370 1.00 0.00 C ATOM 477 C PRO A 44 0.198 -12.504 10.264 1.00 0.00 C ATOM 478 O PRO A 44 -0.683 -13.011 10.948 1.00 0.00 O ATOM 479 CB PRO A 44 -0.485 -11.851 8.004 1.00 0.00 C ATOM 480 CG PRO A 44 0.077 -10.873 7.043 1.00 0.00 C ATOM 481 CD PRO A 44 1.398 -10.484 7.629 1.00 0.00 C ATOM 0 HA PRO A 44 -0.835 -10.729 9.890 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.084 -12.850 7.832 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.569 -11.922 7.909 1.00 0.00 H new ATOM 0 HG2 PRO A 44 0.197 -11.314 6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -0.577 -10.008 6.930 1.00 0.00 H new ATOM 0 HD2 PRO A 44 2.187 -11.186 7.358 1.00 0.00 H new ATOM 0 HD3 PRO A 44 1.719 -9.498 7.292 1.00 0.00 H new ATOM 489 N MET A 45 1.430 -12.936 10.191 1.00 0.00 N ATOM 490 CA MET A 45 1.943 -14.084 10.909 1.00 0.00 C ATOM 491 C MET A 45 1.521 -15.376 10.232 1.00 0.00 C ATOM 492 O MET A 45 2.278 -15.954 9.453 1.00 0.00 O ATOM 493 CB MET A 45 1.488 -14.086 12.355 1.00 0.00 C ATOM 494 CG MET A 45 1.899 -12.851 13.114 1.00 0.00 C ATOM 495 SD MET A 45 1.189 -12.769 14.770 1.00 0.00 S ATOM 496 CE MET A 45 1.516 -11.055 15.175 1.00 0.00 C ATOM 0 H MET A 45 2.134 -12.483 9.608 1.00 0.00 H new ATOM 0 HA MET A 45 3.031 -14.015 10.895 1.00 0.00 H new ATOM 0 HB2 MET A 45 0.402 -14.178 12.386 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.897 -14.964 12.855 1.00 0.00 H new ATOM 0 HG2 MET A 45 2.986 -12.823 13.189 1.00 0.00 H new ATOM 0 HG3 MET A 45 1.596 -11.968 12.551 1.00 0.00 H new ATOM 0 HE1 MET A 45 1.137 -10.838 16.174 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.590 -10.873 15.147 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.020 -10.409 14.451 1.00 0.00 H new ATOM 506 N THR A 46 0.310 -15.821 10.520 1.00 0.00 N ATOM 507 CA THR A 46 -0.183 -17.073 9.980 1.00 0.00 C ATOM 508 C THR A 46 -1.377 -16.841 9.055 1.00 0.00 C ATOM 509 O THR A 46 -1.853 -15.708 8.923 1.00 0.00 O ATOM 510 CB THR A 46 -0.566 -18.038 11.117 1.00 0.00 C ATOM 511 OG1 THR A 46 -1.665 -17.506 11.873 1.00 0.00 O ATOM 512 CG2 THR A 46 0.621 -18.265 12.044 1.00 0.00 C ATOM 0 H THR A 46 -0.349 -15.332 11.126 1.00 0.00 H new ATOM 0 HA THR A 46 0.618 -17.524 9.393 1.00 0.00 H new ATOM 0 HB THR A 46 -0.861 -18.989 10.672 1.00 0.00 H new ATOM 0 HG1 THR A 46 -1.900 -18.130 12.592 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.334 -18.949 12.842 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.448 -18.694 11.478 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.932 -17.314 12.476 1.00 0.00 H new ATOM 520 N ASP A 47 -1.869 -17.904 8.428 1.00 0.00 N ATOM 521 CA ASP A 47 -2.982 -17.791 7.486 1.00 0.00 C ATOM 522 C ASP A 47 -4.264 -17.413 8.214 1.00 0.00 C ATOM 523 O ASP A 47 -5.064 -16.631 7.702 1.00 0.00 O ATOM 524 CB ASP A 47 -3.188 -19.094 6.696 1.00 0.00 C ATOM 525 CG ASP A 47 -4.054 -20.109 7.416 1.00 0.00 C ATOM 526 OD1 ASP A 47 -3.590 -20.700 8.414 1.00 0.00 O ATOM 527 OD2 ASP A 47 -5.201 -20.338 6.977 1.00 0.00 O ATOM 0 H ASP A 47 -1.517 -18.853 8.553 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.731 -17.003 6.776 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.643 -18.858 5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.216 -19.541 6.488 1.00 0.00 H new ATOM 532 N GLY A 48 -4.439 -17.946 9.423 1.00 0.00 N ATOM 533 CA GLY A 48 -5.628 -17.659 10.206 1.00 0.00 C ATOM 534 C GLY A 48 -5.793 -16.176 10.457 1.00 0.00 C ATOM 535 O GLY A 48 -6.892 -15.628 10.350 1.00 0.00 O ATOM 0 H GLY A 48 -3.774 -18.574 9.874 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.507 -18.039 9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.571 -18.185 11.159 1.00 0.00 H new ATOM 539 N GLN A 49 -4.691 -15.518 10.766 1.00 0.00 N ATOM 540 CA GLN A 49 -4.704 -14.084 10.978 1.00 0.00 C ATOM 541 C GLN A 49 -4.829 -13.359 9.647 1.00 0.00 C ATOM 542 O GLN A 49 -5.530 -12.363 9.552 1.00 0.00 O ATOM 543 CB GLN A 49 -3.434 -13.639 11.695 1.00 0.00 C ATOM 544 CG GLN A 49 -3.183 -14.368 13.002 1.00 0.00 C ATOM 545 CD GLN A 49 -4.031 -13.868 14.162 1.00 0.00 C ATOM 546 OE1 GLN A 49 -3.600 -13.908 15.315 1.00 0.00 O ATOM 547 NE2 GLN A 49 -5.240 -13.404 13.882 1.00 0.00 N ATOM 0 H GLN A 49 -3.776 -15.955 10.876 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.563 -13.835 11.601 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.581 -13.793 11.034 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -3.495 -12.569 11.892 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.376 -15.431 12.856 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.130 -14.268 13.266 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.568 -13.384 12.916 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.843 -13.067 14.632 1.00 0.00 H new ATOM 556 N LEU A 50 -4.160 -13.879 8.626 1.00 0.00 N ATOM 557 CA LEU A 50 -4.212 -13.297 7.286 1.00 0.00 C ATOM 558 C LEU A 50 -5.654 -13.158 6.801 1.00 0.00 C ATOM 559 O LEU A 50 -6.086 -12.072 6.424 1.00 0.00 O ATOM 560 CB LEU A 50 -3.413 -14.154 6.301 1.00 0.00 C ATOM 561 CG LEU A 50 -3.474 -13.696 4.841 1.00 0.00 C ATOM 562 CD1 LEU A 50 -2.818 -12.333 4.675 1.00 0.00 C ATOM 563 CD2 LEU A 50 -2.817 -14.722 3.931 1.00 0.00 C ATOM 0 H LEU A 50 -3.571 -14.708 8.699 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.769 -12.302 7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.370 -14.167 6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.776 -15.180 6.359 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.522 -13.605 4.556 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.873 -12.028 3.630 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.337 -11.602 5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.774 -12.392 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.870 -14.379 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.773 -14.848 4.218 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.336 -15.676 4.024 1.00 0.00 H new ATOM 575 N ARG A 51 -6.392 -14.259 6.824 1.00 0.00 N ATOM 576 CA ARG A 51 -7.783 -14.271 6.368 1.00 0.00 C ATOM 577 C ARG A 51 -8.666 -13.390 7.253 1.00 0.00 C ATOM 578 O ARG A 51 -9.441 -12.568 6.753 1.00 0.00 O ATOM 579 CB ARG A 51 -8.313 -15.710 6.338 1.00 0.00 C ATOM 580 CG ARG A 51 -8.048 -16.481 7.621 1.00 0.00 C ATOM 581 CD ARG A 51 -8.385 -17.956 7.481 1.00 0.00 C ATOM 582 NE ARG A 51 -9.819 -18.199 7.409 1.00 0.00 N ATOM 583 CZ ARG A 51 -10.356 -19.405 7.237 1.00 0.00 C ATOM 584 NH1 ARG A 51 -9.580 -20.467 7.068 1.00 0.00 N ATOM 585 NH2 ARG A 51 -11.669 -19.551 7.237 1.00 0.00 N ATOM 0 H ARG A 51 -6.052 -15.162 7.155 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.815 -13.861 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.387 -15.689 6.151 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.854 -16.240 5.503 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -6.999 -16.374 7.898 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.637 -16.050 8.431 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.908 -18.350 6.584 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.970 -18.502 8.328 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.447 -17.400 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.565 -20.363 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.998 -21.388 6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.272 -18.739 7.369 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.079 -20.475 7.105 1.00 0.00 H new ATOM 599 N SER A 52 -8.524 -13.546 8.566 1.00 0.00 N ATOM 600 CA SER A 52 -9.320 -12.787 9.518 1.00 0.00 C ATOM 601 C SER A 52 -9.074 -11.291 9.354 1.00 0.00 C ATOM 602 O SER A 52 -10.015 -10.493 9.315 1.00 0.00 O ATOM 603 CB SER A 52 -8.987 -13.236 10.945 1.00 0.00 C ATOM 604 OG SER A 52 -9.781 -12.561 11.907 1.00 0.00 O ATOM 0 H SER A 52 -7.862 -14.194 8.993 1.00 0.00 H new ATOM 0 HA SER A 52 -10.376 -12.977 9.325 1.00 0.00 H new ATOM 0 HB2 SER A 52 -9.144 -14.311 11.034 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.932 -13.050 11.148 1.00 0.00 H new ATOM 0 HG SER A 52 -9.543 -12.873 12.805 1.00 0.00 H new ATOM 610 N LYS A 53 -7.809 -10.914 9.234 1.00 0.00 N ATOM 611 CA LYS A 53 -7.451 -9.521 9.072 1.00 0.00 C ATOM 612 C LYS A 53 -7.807 -9.012 7.684 1.00 0.00 C ATOM 613 O LYS A 53 -8.113 -7.839 7.521 1.00 0.00 O ATOM 614 CB LYS A 53 -5.970 -9.331 9.354 1.00 0.00 C ATOM 615 CG LYS A 53 -5.626 -9.526 10.818 1.00 0.00 C ATOM 616 CD LYS A 53 -6.383 -8.544 11.695 1.00 0.00 C ATOM 617 CE LYS A 53 -6.363 -8.964 13.153 1.00 0.00 C ATOM 618 NZ LYS A 53 -7.096 -7.993 14.009 1.00 0.00 N ATOM 0 H LYS A 53 -7.017 -11.557 9.246 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.026 -8.935 9.789 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -5.396 -10.036 8.753 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.670 -8.330 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.866 -10.546 11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.554 -9.395 10.963 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.942 -7.552 11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.415 -8.470 11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.812 -9.952 13.255 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.331 -9.046 13.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.936 -8.223 15.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.752 -7.031 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.113 -8.045 13.800 1.00 0.00 H new ATOM 632 N ARG A 54 -7.779 -9.894 6.690 1.00 0.00 N ATOM 633 CA ARG A 54 -8.149 -9.514 5.331 1.00 0.00 C ATOM 634 C ARG A 54 -9.571 -8.966 5.316 1.00 0.00 C ATOM 635 O ARG A 54 -9.855 -7.971 4.658 1.00 0.00 O ATOM 636 CB ARG A 54 -8.039 -10.709 4.380 1.00 0.00 C ATOM 637 CG ARG A 54 -8.179 -10.331 2.915 1.00 0.00 C ATOM 638 CD ARG A 54 -8.114 -11.549 2.005 1.00 0.00 C ATOM 639 NE ARG A 54 -9.305 -12.393 2.124 1.00 0.00 N ATOM 640 CZ ARG A 54 -10.058 -12.768 1.087 1.00 0.00 C ATOM 641 NH1 ARG A 54 -9.726 -12.408 -0.147 1.00 0.00 N ATOM 642 NH2 ARG A 54 -11.130 -13.521 1.288 1.00 0.00 N ATOM 0 H ARG A 54 -7.506 -10.871 6.798 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.460 -8.741 4.990 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.076 -11.196 4.531 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.808 -11.438 4.634 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.127 -9.814 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -7.388 -9.632 2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.004 -11.222 0.971 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.229 -12.136 2.249 1.00 0.00 H new ATOM 0 HE ARG A 54 -9.575 -12.713 3.054 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -8.892 -11.842 -0.306 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.305 -12.697 -0.936 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.378 -13.813 2.233 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.707 -13.809 0.497 1.00 0.00 H new ATOM 656 N ASP A 55 -10.451 -9.617 6.069 1.00 0.00 N ATOM 657 CA ASP A 55 -11.839 -9.190 6.177 1.00 0.00 C ATOM 658 C ASP A 55 -11.945 -7.887 6.973 1.00 0.00 C ATOM 659 O ASP A 55 -12.557 -6.909 6.530 1.00 0.00 O ATOM 660 CB ASP A 55 -12.641 -10.296 6.859 1.00 0.00 C ATOM 661 CG ASP A 55 -14.104 -9.952 7.038 1.00 0.00 C ATOM 662 OD1 ASP A 55 -14.871 -10.083 6.060 1.00 0.00 O ATOM 663 OD2 ASP A 55 -14.499 -9.583 8.162 1.00 0.00 O ATOM 0 H ASP A 55 -10.224 -10.447 6.616 1.00 0.00 H new ATOM 0 HA ASP A 55 -12.239 -9.004 5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.559 -11.210 6.271 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.202 -10.505 7.835 1.00 0.00 H new ATOM 668 N GLU A 56 -11.315 -7.889 8.143 1.00 0.00 N ATOM 669 CA GLU A 56 -11.306 -6.735 9.043 1.00 0.00 C ATOM 670 C GLU A 56 -10.797 -5.474 8.339 1.00 0.00 C ATOM 671 O GLU A 56 -11.389 -4.399 8.453 1.00 0.00 O ATOM 672 CB GLU A 56 -10.416 -7.049 10.246 1.00 0.00 C ATOM 673 CG GLU A 56 -10.473 -6.010 11.350 1.00 0.00 C ATOM 674 CD GLU A 56 -9.414 -6.240 12.405 1.00 0.00 C ATOM 675 OE1 GLU A 56 -9.472 -7.273 13.101 1.00 0.00 O ATOM 676 OE2 GLU A 56 -8.511 -5.386 12.542 1.00 0.00 O ATOM 0 H GLU A 56 -10.794 -8.691 8.497 1.00 0.00 H new ATOM 0 HA GLU A 56 -12.329 -6.543 9.367 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -10.707 -8.016 10.657 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.385 -7.145 9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.345 -5.017 10.919 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -11.458 -6.031 11.816 1.00 0.00 H new ATOM 683 N PHE A 57 -9.689 -5.613 7.624 1.00 0.00 N ATOM 684 CA PHE A 57 -9.101 -4.500 6.886 1.00 0.00 C ATOM 685 C PHE A 57 -9.951 -4.116 5.691 1.00 0.00 C ATOM 686 O PHE A 57 -10.050 -2.939 5.352 1.00 0.00 O ATOM 687 CB PHE A 57 -7.700 -4.857 6.412 1.00 0.00 C ATOM 688 CG PHE A 57 -6.642 -4.675 7.464 1.00 0.00 C ATOM 689 CD1 PHE A 57 -6.033 -3.442 7.643 1.00 0.00 C ATOM 690 CD2 PHE A 57 -6.251 -5.731 8.270 1.00 0.00 C ATOM 691 CE1 PHE A 57 -5.059 -3.269 8.605 1.00 0.00 C ATOM 692 CE2 PHE A 57 -5.278 -5.563 9.234 1.00 0.00 C ATOM 693 CZ PHE A 57 -4.682 -4.331 9.404 1.00 0.00 C ATOM 0 H PHE A 57 -9.176 -6.490 7.538 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.052 -3.649 7.565 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -7.692 -5.894 6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -7.450 -4.241 5.548 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -6.324 -2.608 7.022 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -6.714 -6.699 8.142 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.592 -2.304 8.733 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.983 -6.396 9.855 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.922 -4.197 10.160 1.00 0.00 H new ATOM 703 N TRP A 58 -10.547 -5.114 5.049 1.00 0.00 N ATOM 704 CA TRP A 58 -11.451 -4.873 3.921 1.00 0.00 C ATOM 705 C TRP A 58 -12.558 -3.896 4.300 1.00 0.00 C ATOM 706 O TRP A 58 -13.053 -3.156 3.459 1.00 0.00 O ATOM 707 CB TRP A 58 -12.072 -6.175 3.414 1.00 0.00 C ATOM 708 CG TRP A 58 -11.717 -6.486 1.990 1.00 0.00 C ATOM 709 CD1 TRP A 58 -11.316 -7.692 1.491 1.00 0.00 C ATOM 710 CD2 TRP A 58 -11.715 -5.572 0.882 1.00 0.00 C ATOM 711 NE1 TRP A 58 -11.079 -7.589 0.141 1.00 0.00 N ATOM 712 CE2 TRP A 58 -11.311 -6.296 -0.254 1.00 0.00 C ATOM 713 CE3 TRP A 58 -12.019 -4.215 0.739 1.00 0.00 C ATOM 714 CZ2 TRP A 58 -11.204 -5.711 -1.511 1.00 0.00 C ATOM 715 CZ3 TRP A 58 -11.910 -3.634 -0.509 1.00 0.00 C ATOM 716 CH2 TRP A 58 -11.504 -4.380 -1.620 1.00 0.00 C ATOM 0 H TRP A 58 -10.423 -6.098 5.287 1.00 0.00 H new ATOM 0 HA TRP A 58 -10.851 -4.437 3.122 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -11.745 -6.997 4.051 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -13.156 -6.112 3.506 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -11.202 -8.595 2.072 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -10.779 -8.350 -0.468 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -12.334 -3.631 1.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -10.895 -6.287 -2.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -12.142 -2.586 -0.629 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -11.426 -3.897 -2.583 1.00 0.00 H new ATOM 727 N ASP A 59 -12.949 -3.900 5.565 1.00 0.00 N ATOM 728 CA ASP A 59 -13.905 -2.913 6.069 1.00 0.00 C ATOM 729 C ASP A 59 -13.384 -1.484 5.926 1.00 0.00 C ATOM 730 O ASP A 59 -14.150 -0.553 5.674 1.00 0.00 O ATOM 731 CB ASP A 59 -14.212 -3.163 7.536 1.00 0.00 C ATOM 732 CG ASP A 59 -15.128 -4.344 7.764 1.00 0.00 C ATOM 733 OD1 ASP A 59 -16.230 -4.375 7.175 1.00 0.00 O ATOM 734 OD2 ASP A 59 -14.780 -5.222 8.574 1.00 0.00 O ATOM 0 H ASP A 59 -12.624 -4.570 6.262 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.808 -3.023 5.468 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.278 -3.328 8.072 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.670 -2.270 7.961 1.00 0.00 H new ATOM 739 N THR A 60 -12.081 -1.316 6.075 1.00 0.00 N ATOM 740 CA THR A 60 -11.481 0.013 6.141 1.00 0.00 C ATOM 741 C THR A 60 -10.863 0.430 4.803 1.00 0.00 C ATOM 742 O THR A 60 -10.787 1.617 4.493 1.00 0.00 O ATOM 743 CB THR A 60 -10.407 0.052 7.245 1.00 0.00 C ATOM 744 OG1 THR A 60 -10.953 -0.470 8.465 1.00 0.00 O ATOM 745 CG2 THR A 60 -9.903 1.468 7.483 1.00 0.00 C ATOM 0 H THR A 60 -11.414 -2.083 6.153 1.00 0.00 H new ATOM 0 HA THR A 60 -12.277 0.720 6.374 1.00 0.00 H new ATOM 0 HB THR A 60 -9.565 -0.559 6.918 1.00 0.00 H new ATOM 0 HG1 THR A 60 -10.269 -0.446 9.166 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.147 1.458 8.268 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.467 1.858 6.564 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.734 2.104 7.788 1.00 0.00 H new ATOM 753 N ALA A 61 -10.449 -0.555 4.010 1.00 0.00 N ATOM 754 CA ALA A 61 -9.757 -0.300 2.740 1.00 0.00 C ATOM 755 C ALA A 61 -10.512 0.678 1.817 1.00 0.00 C ATOM 756 O ALA A 61 -9.937 1.668 1.367 1.00 0.00 O ATOM 757 CB ALA A 61 -9.475 -1.613 2.018 1.00 0.00 C ATOM 0 H ALA A 61 -10.580 -1.544 4.222 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.815 0.187 2.992 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.962 -1.409 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.846 -2.245 2.645 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.415 -2.125 1.814 1.00 0.00 H new ATOM 763 N PRO A 62 -11.803 0.436 1.514 1.00 0.00 N ATOM 764 CA PRO A 62 -12.560 1.287 0.598 1.00 0.00 C ATOM 765 C PRO A 62 -13.163 2.515 1.287 1.00 0.00 C ATOM 766 O PRO A 62 -13.728 3.390 0.629 1.00 0.00 O ATOM 767 CB PRO A 62 -13.639 0.337 0.099 1.00 0.00 C ATOM 768 CG PRO A 62 -13.943 -0.512 1.280 1.00 0.00 C ATOM 769 CD PRO A 62 -12.637 -0.676 2.017 1.00 0.00 C ATOM 0 HA PRO A 62 -11.943 1.714 -0.192 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.522 0.879 -0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.287 -0.260 -0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -14.694 -0.043 1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -14.343 -1.479 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.777 -0.614 3.096 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.180 -1.644 1.810 1.00 0.00 H new ATOM 822 N GLY A 66 -15.902 6.324 -3.045 1.00 0.00 N ATOM 823 CA GLY A 66 -14.885 7.004 -3.789 1.00 0.00 C ATOM 824 C GLY A 66 -15.484 7.949 -4.801 1.00 0.00 C ATOM 825 O GLY A 66 -16.521 7.651 -5.401 1.00 0.00 O ATOM 0 HA2 GLY A 66 -14.242 7.559 -3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.255 6.275 -4.298 1.00 0.00 H new ATOM 829 N ARG A 67 -14.853 9.101 -4.970 1.00 0.00 N ATOM 830 CA ARG A 67 -15.218 10.019 -6.032 1.00 0.00 C ATOM 831 C ARG A 67 -14.889 9.376 -7.373 1.00 0.00 C ATOM 832 O ARG A 67 -13.754 9.445 -7.846 1.00 0.00 O ATOM 833 CB ARG A 67 -14.487 11.352 -5.864 1.00 0.00 C ATOM 834 CG ARG A 67 -14.867 12.075 -4.584 1.00 0.00 C ATOM 835 CD ARG A 67 -16.293 12.597 -4.634 1.00 0.00 C ATOM 836 NE ARG A 67 -16.708 13.154 -3.348 1.00 0.00 N ATOM 837 CZ ARG A 67 -17.832 13.838 -3.150 1.00 0.00 C ATOM 838 NH1 ARG A 67 -18.630 14.125 -4.170 1.00 0.00 N ATOM 839 NH2 ARG A 67 -18.141 14.262 -1.933 1.00 0.00 N ATOM 0 H ARG A 67 -14.083 9.421 -4.382 1.00 0.00 H new ATOM 0 HA ARG A 67 -16.287 10.227 -5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.412 11.174 -5.870 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -14.709 11.993 -6.717 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.757 11.397 -3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -14.181 12.906 -4.418 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -16.374 13.363 -5.406 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -16.967 11.788 -4.915 1.00 0.00 H new ATOM 0 HE ARG A 67 -16.094 13.008 -2.547 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -18.383 13.821 -5.112 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -19.490 14.650 -4.012 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -17.518 14.064 -1.150 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -19.002 14.787 -1.779 1.00 0.00 H new ATOM 853 N LYS A 68 -15.890 8.736 -7.962 1.00 0.00 N ATOM 854 CA LYS A 68 -15.717 7.916 -9.150 1.00 0.00 C ATOM 855 C LYS A 68 -14.965 8.640 -10.264 1.00 0.00 C ATOM 856 O LYS A 68 -14.170 8.028 -10.978 1.00 0.00 O ATOM 857 CB LYS A 68 -17.079 7.476 -9.666 1.00 0.00 C ATOM 858 CG LYS A 68 -17.000 6.216 -10.489 1.00 0.00 C ATOM 859 CD LYS A 68 -16.492 5.067 -9.638 1.00 0.00 C ATOM 860 CE LYS A 68 -16.175 3.845 -10.478 1.00 0.00 C ATOM 861 NZ LYS A 68 -17.349 3.397 -11.270 1.00 0.00 N ATOM 0 H LYS A 68 -16.852 8.773 -7.625 1.00 0.00 H new ATOM 0 HA LYS A 68 -15.117 7.054 -8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.750 7.314 -8.822 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.512 8.274 -10.269 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.983 5.973 -10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -16.336 6.369 -11.340 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.598 5.381 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -17.241 4.810 -8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.348 4.072 -11.151 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.844 3.034 -9.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.154 2.462 -11.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.182 3.335 -10.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.534 4.080 -12.032 1.00 0.00 H new ATOM 875 N GLU A 69 -15.221 9.933 -10.406 1.00 0.00 N ATOM 876 CA GLU A 69 -14.614 10.731 -11.470 1.00 0.00 C ATOM 877 C GLU A 69 -13.086 10.716 -11.417 1.00 0.00 C ATOM 878 O GLU A 69 -12.424 10.765 -12.454 1.00 0.00 O ATOM 879 CB GLU A 69 -15.123 12.166 -11.413 1.00 0.00 C ATOM 880 CG GLU A 69 -16.566 12.276 -11.843 1.00 0.00 C ATOM 881 CD GLU A 69 -16.754 12.006 -13.320 1.00 0.00 C ATOM 882 OE1 GLU A 69 -16.325 12.843 -14.141 1.00 0.00 O ATOM 883 OE2 GLU A 69 -17.325 10.952 -13.665 1.00 0.00 O ATOM 0 H GLU A 69 -15.848 10.457 -9.796 1.00 0.00 H new ATOM 0 HA GLU A 69 -14.909 10.275 -12.415 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -15.018 12.547 -10.397 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.505 12.795 -12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.167 11.571 -11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -16.936 13.274 -11.610 1.00 0.00 H new ATOM 890 N ILE A 70 -12.521 10.646 -10.217 1.00 0.00 N ATOM 891 CA ILE A 70 -11.071 10.657 -10.075 1.00 0.00 C ATOM 892 C ILE A 70 -10.485 9.267 -10.290 1.00 0.00 C ATOM 893 O ILE A 70 -9.304 9.127 -10.606 1.00 0.00 O ATOM 894 CB ILE A 70 -10.595 11.175 -8.702 1.00 0.00 C ATOM 895 CG1 ILE A 70 -9.096 11.481 -8.777 1.00 0.00 C ATOM 896 CG2 ILE A 70 -10.887 10.153 -7.606 1.00 0.00 C ATOM 897 CD1 ILE A 70 -8.382 11.415 -7.452 1.00 0.00 C ATOM 0 H ILE A 70 -13.037 10.582 -9.340 1.00 0.00 H new ATOM 0 HA ILE A 70 -10.715 11.345 -10.842 1.00 0.00 H new ATOM 0 HB ILE A 70 -11.137 12.087 -8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.627 10.777 -9.464 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.961 12.477 -9.200 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.543 10.540 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -11.960 9.967 -7.558 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -10.367 9.221 -7.829 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -7.326 11.645 -7.596 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.821 12.139 -6.766 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.482 10.413 -7.034 1.00 0.00 H new ATOM 909 N TRP A 71 -11.311 8.241 -10.103 1.00 0.00 N ATOM 910 CA TRP A 71 -10.852 6.852 -10.133 1.00 0.00 C ATOM 911 C TRP A 71 -10.032 6.555 -11.378 1.00 0.00 C ATOM 912 O TRP A 71 -9.052 5.813 -11.318 1.00 0.00 O ATOM 913 CB TRP A 71 -12.035 5.892 -10.071 1.00 0.00 C ATOM 914 CG TRP A 71 -12.064 5.049 -8.838 1.00 0.00 C ATOM 915 CD1 TRP A 71 -13.080 4.973 -7.936 1.00 0.00 C ATOM 916 CD2 TRP A 71 -11.036 4.168 -8.366 1.00 0.00 C ATOM 917 NE1 TRP A 71 -12.755 4.095 -6.932 1.00 0.00 N ATOM 918 CE2 TRP A 71 -11.504 3.590 -7.172 1.00 0.00 C ATOM 919 CE3 TRP A 71 -9.770 3.810 -8.835 1.00 0.00 C ATOM 920 CZ2 TRP A 71 -10.747 2.676 -6.441 1.00 0.00 C ATOM 921 CZ3 TRP A 71 -9.019 2.904 -8.108 1.00 0.00 C ATOM 922 CH2 TRP A 71 -9.512 2.346 -6.924 1.00 0.00 C ATOM 0 H TRP A 71 -12.310 8.346 -9.928 1.00 0.00 H new ATOM 0 HA TRP A 71 -10.217 6.709 -9.259 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -12.960 6.466 -10.129 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -12.008 5.241 -10.945 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -14.007 5.523 -8.001 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -13.348 3.857 -6.137 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.384 4.234 -9.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -11.123 2.244 -5.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -8.037 2.623 -8.460 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -8.903 1.639 -6.380 1.00 0.00 H new ATOM 933 N ASP A 72 -10.432 7.145 -12.494 1.00 0.00 N ATOM 934 CA ASP A 72 -9.739 6.954 -13.765 1.00 0.00 C ATOM 935 C ASP A 72 -8.282 7.395 -13.674 1.00 0.00 C ATOM 936 O ASP A 72 -7.400 6.785 -14.281 1.00 0.00 O ATOM 937 CB ASP A 72 -10.450 7.724 -14.877 1.00 0.00 C ATOM 938 CG ASP A 72 -11.819 7.151 -15.191 1.00 0.00 C ATOM 939 OD1 ASP A 72 -11.887 6.103 -15.875 1.00 0.00 O ATOM 940 OD2 ASP A 72 -12.830 7.731 -14.745 1.00 0.00 O ATOM 0 H ASP A 72 -11.240 7.766 -12.548 1.00 0.00 H new ATOM 0 HA ASP A 72 -9.757 5.889 -13.998 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.555 8.768 -14.583 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.836 7.706 -15.778 1.00 0.00 H new ATOM 945 N ALA A 73 -8.021 8.431 -12.888 1.00 0.00 N ATOM 946 CA ALA A 73 -6.674 8.953 -12.742 1.00 0.00 C ATOM 947 C ALA A 73 -5.878 8.083 -11.783 1.00 0.00 C ATOM 948 O ALA A 73 -4.662 7.960 -11.901 1.00 0.00 O ATOM 949 CB ALA A 73 -6.718 10.390 -12.250 1.00 0.00 C ATOM 0 H ALA A 73 -8.727 8.925 -12.342 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.181 8.937 -13.714 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -5.702 10.770 -12.145 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -7.262 11.004 -12.968 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.222 10.429 -11.284 1.00 0.00 H new ATOM 955 N LEU A 74 -6.582 7.464 -10.848 1.00 0.00 N ATOM 956 CA LEU A 74 -5.951 6.605 -9.855 1.00 0.00 C ATOM 957 C LEU A 74 -5.395 5.353 -10.512 1.00 0.00 C ATOM 958 O LEU A 74 -4.238 4.983 -10.310 1.00 0.00 O ATOM 959 CB LEU A 74 -6.949 6.231 -8.764 1.00 0.00 C ATOM 960 CG LEU A 74 -7.674 7.420 -8.134 1.00 0.00 C ATOM 961 CD1 LEU A 74 -8.538 6.978 -6.966 1.00 0.00 C ATOM 962 CD2 LEU A 74 -6.665 8.463 -7.693 1.00 0.00 C ATOM 0 H LEU A 74 -7.595 7.540 -10.755 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.126 7.153 -9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.690 5.551 -9.184 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.424 5.685 -7.980 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.333 7.860 -8.882 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.042 7.845 -6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.282 6.262 -7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.912 6.510 -6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.188 9.308 -7.245 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.986 8.026 -6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.095 8.806 -8.556 1.00 0.00 H new ATOM 974 N LYS A 75 -6.231 4.713 -11.315 1.00 0.00 N ATOM 975 CA LYS A 75 -5.828 3.525 -12.045 1.00 0.00 C ATOM 976 C LYS A 75 -4.813 3.877 -13.132 1.00 0.00 C ATOM 977 O LYS A 75 -3.968 3.060 -13.489 1.00 0.00 O ATOM 978 CB LYS A 75 -7.059 2.843 -12.644 1.00 0.00 C ATOM 979 CG LYS A 75 -8.020 3.821 -13.288 1.00 0.00 C ATOM 980 CD LYS A 75 -9.348 3.166 -13.632 1.00 0.00 C ATOM 981 CE LYS A 75 -9.987 2.518 -12.420 1.00 0.00 C ATOM 982 NZ LYS A 75 -11.371 2.059 -12.708 1.00 0.00 N ATOM 0 H LYS A 75 -7.196 4.999 -11.477 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.347 2.832 -11.355 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.738 2.114 -13.388 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.580 2.292 -11.861 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.192 4.659 -12.613 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.571 4.229 -14.194 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.026 3.913 -14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.193 2.415 -14.406 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.382 1.670 -12.099 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.004 3.229 -11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.776 1.621 -11.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.955 2.872 -12.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.352 1.362 -13.480 1.00 0.00 H new ATOM 996 N ALA A 76 -4.897 5.102 -13.650 1.00 0.00 N ATOM 997 CA ALA A 76 -3.937 5.578 -14.642 1.00 0.00 C ATOM 998 C ALA A 76 -2.561 5.792 -14.019 1.00 0.00 C ATOM 999 O ALA A 76 -1.537 5.494 -14.637 1.00 0.00 O ATOM 1000 CB ALA A 76 -4.427 6.865 -15.292 1.00 0.00 C ATOM 0 H ALA A 76 -5.617 5.779 -13.400 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.847 4.811 -15.411 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.697 7.202 -16.028 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.382 6.683 -15.786 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.554 7.633 -14.529 1.00 0.00 H new ATOM 1006 N ALA A 77 -2.532 6.304 -12.793 1.00 0.00 N ATOM 1007 CA ALA A 77 -1.271 6.520 -12.097 1.00 0.00 C ATOM 1008 C ALA A 77 -0.617 5.197 -11.755 1.00 0.00 C ATOM 1009 O ALA A 77 0.556 4.992 -12.044 1.00 0.00 O ATOM 1010 CB ALA A 77 -1.464 7.343 -10.841 1.00 0.00 C ATOM 0 H ALA A 77 -3.361 6.575 -12.265 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.617 7.076 -12.769 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.503 7.484 -10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.884 8.314 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.145 6.824 -10.167 1.00 0.00 H new ATOM 1016 N ALA A 78 -1.378 4.313 -11.125 1.00 0.00 N ATOM 1017 CA ALA A 78 -0.934 2.945 -10.885 1.00 0.00 C ATOM 1018 C ALA A 78 -0.441 2.294 -12.176 1.00 0.00 C ATOM 1019 O ALA A 78 0.500 1.509 -12.159 1.00 0.00 O ATOM 1020 CB ALA A 78 -2.062 2.124 -10.279 1.00 0.00 C ATOM 0 H ALA A 78 -2.311 4.519 -10.769 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.102 2.977 -10.182 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.717 1.105 -10.105 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.369 2.570 -9.333 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.909 2.108 -10.964 1.00 0.00 H new ATOM 1026 N HIS A 79 -1.068 2.650 -13.292 1.00 0.00 N ATOM 1027 CA HIS A 79 -0.684 2.114 -14.595 1.00 0.00 C ATOM 1028 C HIS A 79 0.731 2.560 -14.940 1.00 0.00 C ATOM 1029 O HIS A 79 1.568 1.758 -15.353 1.00 0.00 O ATOM 1030 CB HIS A 79 -1.668 2.579 -15.680 1.00 0.00 C ATOM 1031 CG HIS A 79 -1.363 2.055 -17.051 1.00 0.00 C ATOM 1032 ND1 HIS A 79 -2.021 0.980 -17.607 1.00 0.00 N ATOM 1033 CD2 HIS A 79 -0.477 2.475 -17.987 1.00 0.00 C ATOM 1034 CE1 HIS A 79 -1.554 0.762 -18.822 1.00 0.00 C ATOM 1035 NE2 HIS A 79 -0.614 1.653 -19.077 1.00 0.00 N ATOM 0 H HIS A 79 -1.846 3.309 -13.321 1.00 0.00 H new ATOM 0 HA HIS A 79 -0.713 1.025 -14.549 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -2.674 2.268 -15.400 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -1.669 3.669 -15.711 1.00 0.00 H new ATOM 0 HD2 HIS A 79 0.210 3.303 -17.892 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.885 -0.015 -19.495 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -0.078 1.719 -19.942 1.00 0.00 H new ATOM 1044 N ALA A 80 0.988 3.845 -14.764 1.00 0.00 N ATOM 1045 CA ALA A 80 2.299 4.407 -15.034 1.00 0.00 C ATOM 1046 C ALA A 80 3.317 3.908 -14.022 1.00 0.00 C ATOM 1047 O ALA A 80 4.364 3.390 -14.392 1.00 0.00 O ATOM 1048 CB ALA A 80 2.234 5.915 -15.011 1.00 0.00 C ATOM 0 H ALA A 80 0.301 4.522 -14.433 1.00 0.00 H new ATOM 0 HA ALA A 80 2.615 4.083 -16.026 1.00 0.00 H new ATOM 0 HB1 ALA A 80 3.223 6.325 -15.215 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.534 6.261 -15.772 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.898 6.250 -14.030 1.00 0.00 H new ATOM 1054 N PHE A 81 3.003 4.077 -12.742 1.00 0.00 N ATOM 1055 CA PHE A 81 3.868 3.603 -11.667 1.00 0.00 C ATOM 1056 C PHE A 81 4.189 2.100 -11.810 1.00 0.00 C ATOM 1057 O PHE A 81 5.250 1.645 -11.384 1.00 0.00 O ATOM 1058 CB PHE A 81 3.264 3.923 -10.285 1.00 0.00 C ATOM 1059 CG PHE A 81 3.886 3.138 -9.161 1.00 0.00 C ATOM 1060 CD1 PHE A 81 5.247 3.202 -8.928 1.00 0.00 C ATOM 1061 CD2 PHE A 81 3.113 2.317 -8.361 1.00 0.00 C ATOM 1062 CE1 PHE A 81 5.823 2.455 -7.924 1.00 0.00 C ATOM 1063 CE2 PHE A 81 3.681 1.575 -7.349 1.00 0.00 C ATOM 1064 CZ PHE A 81 5.040 1.640 -7.132 1.00 0.00 C ATOM 0 H PHE A 81 2.152 4.541 -12.423 1.00 0.00 H new ATOM 0 HA PHE A 81 4.813 4.140 -11.748 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.383 4.988 -10.083 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.193 3.721 -10.310 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.865 3.844 -9.539 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.048 2.257 -8.532 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.889 2.507 -7.756 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.063 0.944 -6.727 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.491 1.055 -6.344 1.00 0.00 H new ATOM 1074 N GLU A 82 3.290 1.324 -12.420 1.00 0.00 N ATOM 1075 CA GLU A 82 3.575 -0.088 -12.696 1.00 0.00 C ATOM 1076 C GLU A 82 4.753 -0.237 -13.659 1.00 0.00 C ATOM 1077 O GLU A 82 5.488 -1.223 -13.613 1.00 0.00 O ATOM 1078 CB GLU A 82 2.349 -0.811 -13.257 1.00 0.00 C ATOM 1079 CG GLU A 82 1.510 -1.486 -12.186 1.00 0.00 C ATOM 1080 CD GLU A 82 2.296 -2.525 -11.407 1.00 0.00 C ATOM 1081 OE1 GLU A 82 2.322 -3.701 -11.826 1.00 0.00 O ATOM 1082 OE2 GLU A 82 2.905 -2.168 -10.378 1.00 0.00 O ATOM 0 H GLU A 82 2.371 1.642 -12.729 1.00 0.00 H new ATOM 0 HA GLU A 82 3.840 -0.550 -11.745 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.729 -0.096 -13.798 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.675 -1.559 -13.979 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.128 -0.732 -11.498 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.646 -1.961 -12.650 1.00 0.00 H new ATOM 1089 N SER A 83 4.933 0.759 -14.515 1.00 0.00 N ATOM 1090 CA SER A 83 6.071 0.810 -15.428 1.00 0.00 C ATOM 1091 C SER A 83 7.215 1.590 -14.774 1.00 0.00 C ATOM 1092 O SER A 83 8.169 2.010 -15.435 1.00 0.00 O ATOM 1093 CB SER A 83 5.653 1.465 -16.749 1.00 0.00 C ATOM 1094 OG SER A 83 6.712 1.474 -17.693 1.00 0.00 O ATOM 0 H SER A 83 4.298 1.553 -14.598 1.00 0.00 H new ATOM 0 HA SER A 83 6.414 -0.202 -15.642 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.800 0.930 -17.166 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.326 2.488 -16.560 1.00 0.00 H new ATOM 0 HG SER A 83 7.562 1.629 -17.230 1.00 0.00 H new ATOM 1100 N ASN A 84 7.086 1.770 -13.460 1.00 0.00 N ATOM 1101 CA ASN A 84 8.040 2.517 -12.635 1.00 0.00 C ATOM 1102 C ASN A 84 7.966 4.012 -12.931 1.00 0.00 C ATOM 1103 O ASN A 84 8.784 4.796 -12.448 1.00 0.00 O ATOM 1104 CB ASN A 84 9.474 2.021 -12.830 1.00 0.00 C ATOM 1105 CG ASN A 84 10.380 2.423 -11.678 1.00 0.00 C ATOM 1106 OD1 ASN A 84 9.949 2.474 -10.526 1.00 0.00 O ATOM 1107 ND2 ASN A 84 11.631 2.730 -11.977 1.00 0.00 N ATOM 0 H ASN A 84 6.301 1.394 -12.927 1.00 0.00 H new ATOM 0 HA ASN A 84 7.760 2.345 -11.596 1.00 0.00 H new ATOM 0 HB2 ASN A 84 9.472 0.935 -12.927 1.00 0.00 H new ATOM 0 HB3 ASN A 84 9.873 2.423 -13.761 1.00 0.00 H new ATOM 0 HD21 ASN A 84 12.275 3.021 -11.241 1.00 0.00 H new ATOM 0 HD22 ASN A 84 11.952 2.676 -12.944 1.00 0.00 H new ATOM 1114 N ASP A 85 6.985 4.402 -13.735 1.00 0.00 N ATOM 1115 CA ASP A 85 6.767 5.810 -14.040 1.00 0.00 C ATOM 1116 C ASP A 85 6.155 6.523 -12.846 1.00 0.00 C ATOM 1117 O ASP A 85 4.942 6.732 -12.780 1.00 0.00 O ATOM 1118 CB ASP A 85 5.856 5.975 -15.262 1.00 0.00 C ATOM 1119 CG ASP A 85 6.584 5.754 -16.567 1.00 0.00 C ATOM 1120 OD1 ASP A 85 7.175 6.722 -17.086 1.00 0.00 O ATOM 1121 OD2 ASP A 85 6.567 4.619 -17.080 1.00 0.00 O ATOM 0 H ASP A 85 6.329 3.765 -14.187 1.00 0.00 H new ATOM 0 HA ASP A 85 7.736 6.255 -14.266 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.027 5.271 -15.190 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.425 6.976 -15.256 1.00 0.00 H new ATOM 1126 N HIS A 86 7.002 6.907 -11.906 1.00 0.00 N ATOM 1127 CA HIS A 86 6.567 7.702 -10.774 1.00 0.00 C ATOM 1128 C HIS A 86 6.264 9.117 -11.236 1.00 0.00 C ATOM 1129 O HIS A 86 5.322 9.744 -10.754 1.00 0.00 O ATOM 1130 CB HIS A 86 7.622 7.714 -9.664 1.00 0.00 C ATOM 1131 CG HIS A 86 7.259 8.608 -8.517 1.00 0.00 C ATOM 1132 ND1 HIS A 86 7.711 9.902 -8.411 1.00 0.00 N ATOM 1133 CD2 HIS A 86 6.448 8.409 -7.450 1.00 0.00 C ATOM 1134 CE1 HIS A 86 7.195 10.464 -7.339 1.00 0.00 C ATOM 1135 NE2 HIS A 86 6.422 9.579 -6.739 1.00 0.00 N ATOM 0 H HIS A 86 7.996 6.680 -11.906 1.00 0.00 H new ATOM 0 HA HIS A 86 5.663 7.254 -10.362 1.00 0.00 H new ATOM 0 HB2 HIS A 86 7.763 6.698 -9.295 1.00 0.00 H new ATOM 0 HB3 HIS A 86 8.576 8.037 -10.081 1.00 0.00 H new ATOM 0 HD2 HIS A 86 5.921 7.498 -7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 86 7.374 11.476 -7.007 1.00 0.00 H new ATOM 0 HE2 HIS A 86 5.891 9.740 -5.883 1.00 0.00 H new ATOM 1144 N GLU A 87 7.074 9.604 -12.174 1.00 0.00 N ATOM 1145 CA GLU A 87 6.898 10.938 -12.741 1.00 0.00 C ATOM 1146 C GLU A 87 5.473 11.117 -13.271 1.00 0.00 C ATOM 1147 O GLU A 87 4.835 12.145 -13.040 1.00 0.00 O ATOM 1148 CB GLU A 87 7.913 11.179 -13.866 1.00 0.00 C ATOM 1149 CG GLU A 87 7.851 10.144 -14.978 1.00 0.00 C ATOM 1150 CD GLU A 87 8.747 10.484 -16.147 1.00 0.00 C ATOM 1151 OE1 GLU A 87 8.360 11.341 -16.972 1.00 0.00 O ATOM 1152 OE2 GLU A 87 9.839 9.896 -16.253 1.00 0.00 O ATOM 0 H GLU A 87 7.865 9.089 -12.560 1.00 0.00 H new ATOM 0 HA GLU A 87 7.068 11.669 -11.951 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.742 12.168 -14.292 1.00 0.00 H new ATOM 0 HB3 GLU A 87 8.917 11.184 -13.442 1.00 0.00 H new ATOM 0 HG2 GLU A 87 8.137 9.171 -14.578 1.00 0.00 H new ATOM 0 HG3 GLU A 87 6.823 10.055 -15.328 1.00 0.00 H new ATOM 1159 N LEU A 88 4.978 10.099 -13.964 1.00 0.00 N ATOM 1160 CA LEU A 88 3.627 10.120 -14.496 1.00 0.00 C ATOM 1161 C LEU A 88 2.599 10.130 -13.373 1.00 0.00 C ATOM 1162 O LEU A 88 1.724 10.991 -13.332 1.00 0.00 O ATOM 1163 CB LEU A 88 3.404 8.913 -15.407 1.00 0.00 C ATOM 1164 CG LEU A 88 3.908 9.083 -16.845 1.00 0.00 C ATOM 1165 CD1 LEU A 88 3.539 7.870 -17.680 1.00 0.00 C ATOM 1166 CD2 LEU A 88 3.347 10.354 -17.469 1.00 0.00 C ATOM 0 H LEU A 88 5.497 9.246 -14.170 1.00 0.00 H new ATOM 0 HA LEU A 88 3.502 11.033 -15.078 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.898 8.047 -14.965 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.337 8.691 -15.436 1.00 0.00 H new ATOM 0 HG LEU A 88 4.994 9.170 -16.820 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.903 8.005 -18.698 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.993 6.979 -17.247 1.00 0.00 H new ATOM 0 HD13 LEU A 88 2.455 7.754 -17.695 1.00 0.00 H new ATOM 0 HD21 LEU A 88 3.718 10.453 -18.489 1.00 0.00 H new ATOM 0 HD22 LEU A 88 2.258 10.303 -17.483 1.00 0.00 H new ATOM 0 HD23 LEU A 88 3.662 11.217 -16.883 1.00 0.00 H new ATOM 1178 N ALA A 89 2.729 9.189 -12.448 1.00 0.00 N ATOM 1179 CA ALA A 89 1.761 9.045 -11.368 1.00 0.00 C ATOM 1180 C ALA A 89 1.728 10.277 -10.463 1.00 0.00 C ATOM 1181 O ALA A 89 0.654 10.719 -10.061 1.00 0.00 O ATOM 1182 CB ALA A 89 2.040 7.771 -10.572 1.00 0.00 C ATOM 0 H ALA A 89 3.494 8.515 -12.423 1.00 0.00 H new ATOM 0 HA ALA A 89 0.770 8.960 -11.814 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.309 7.677 -9.769 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.968 6.906 -11.232 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.042 7.820 -10.147 1.00 0.00 H new ATOM 1188 N GLN A 90 2.889 10.853 -10.164 1.00 0.00 N ATOM 1189 CA GLN A 90 2.943 12.044 -9.318 1.00 0.00 C ATOM 1190 C GLN A 90 2.282 13.225 -10.027 1.00 0.00 C ATOM 1191 O GLN A 90 1.564 14.009 -9.408 1.00 0.00 O ATOM 1192 CB GLN A 90 4.390 12.396 -8.938 1.00 0.00 C ATOM 1193 CG GLN A 90 5.216 12.966 -10.089 1.00 0.00 C ATOM 1194 CD GLN A 90 6.633 13.323 -9.690 1.00 0.00 C ATOM 1195 OE1 GLN A 90 7.541 12.504 -9.799 1.00 0.00 O ATOM 1196 NE2 GLN A 90 6.838 14.551 -9.241 1.00 0.00 N ATOM 0 H GLN A 90 3.796 10.520 -10.490 1.00 0.00 H new ATOM 0 HA GLN A 90 2.398 11.828 -8.399 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.374 13.120 -8.123 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.883 11.500 -8.560 1.00 0.00 H new ATOM 0 HG2 GLN A 90 5.247 12.239 -10.900 1.00 0.00 H new ATOM 0 HG3 GLN A 90 4.720 13.856 -10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 90 6.057 15.203 -9.165 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.777 14.845 -8.971 1.00 0.00 H new ATOM 1205 N ALA A 91 2.501 13.322 -11.338 1.00 0.00 N ATOM 1206 CA ALA A 91 1.949 14.407 -12.135 1.00 0.00 C ATOM 1207 C ALA A 91 0.445 14.241 -12.300 1.00 0.00 C ATOM 1208 O ALA A 91 -0.269 15.197 -12.598 1.00 0.00 O ATOM 1209 CB ALA A 91 2.632 14.470 -13.492 1.00 0.00 C ATOM 0 H ALA A 91 3.061 12.656 -11.870 1.00 0.00 H new ATOM 0 HA ALA A 91 2.133 15.346 -11.612 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.207 15.287 -14.075 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.700 14.639 -13.354 1.00 0.00 H new ATOM 0 HB3 ALA A 91 2.479 13.529 -14.020 1.00 0.00 H new ATOM 1215 N ILE A 92 -0.030 13.019 -12.113 1.00 0.00 N ATOM 1216 CA ILE A 92 -1.454 12.736 -12.178 1.00 0.00 C ATOM 1217 C ILE A 92 -2.139 13.082 -10.855 1.00 0.00 C ATOM 1218 O ILE A 92 -3.029 13.930 -10.818 1.00 0.00 O ATOM 1219 CB ILE A 92 -1.706 11.255 -12.523 1.00 0.00 C ATOM 1220 CG1 ILE A 92 -1.267 10.961 -13.960 1.00 0.00 C ATOM 1221 CG2 ILE A 92 -3.169 10.900 -12.329 1.00 0.00 C ATOM 1222 CD1 ILE A 92 -1.507 9.528 -14.390 1.00 0.00 C ATOM 0 H ILE A 92 0.553 12.206 -11.914 1.00 0.00 H new ATOM 0 HA ILE A 92 -1.878 13.357 -12.967 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.114 10.638 -11.847 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.801 11.628 -14.637 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.206 11.188 -14.060 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.325 9.850 -12.578 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -3.451 11.072 -11.290 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -3.784 11.522 -12.979 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -1.171 9.396 -15.419 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.952 8.854 -13.737 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -2.571 9.302 -14.324 1.00 0.00 H new ATOM 1234 N ILE A 93 -1.712 12.419 -9.777 1.00 0.00 N ATOM 1235 CA ILE A 93 -2.260 12.651 -8.438 1.00 0.00 C ATOM 1236 C ILE A 93 -2.222 14.132 -8.069 1.00 0.00 C ATOM 1237 O ILE A 93 -3.266 14.763 -7.875 1.00 0.00 O ATOM 1238 CB ILE A 93 -1.468 11.853 -7.369 1.00 0.00 C ATOM 1239 CG1 ILE A 93 -1.331 10.383 -7.778 1.00 0.00 C ATOM 1240 CG2 ILE A 93 -2.130 11.962 -6.006 1.00 0.00 C ATOM 1241 CD1 ILE A 93 -2.591 9.790 -8.353 1.00 0.00 C ATOM 0 H ILE A 93 -0.980 11.709 -9.807 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.296 12.312 -8.457 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.471 12.288 -7.301 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.531 10.293 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -1.031 9.800 -6.907 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.554 11.394 -5.275 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.169 13.008 -5.703 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.143 11.562 -6.060 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.414 8.748 -8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -3.390 9.846 -7.614 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -2.882 10.347 -9.244 1.00 0.00 H new ATOM 1253 N ASP A 94 -1.018 14.687 -8.014 1.00 0.00 N ATOM 1254 CA ASP A 94 -0.824 16.078 -7.629 1.00 0.00 C ATOM 1255 C ASP A 94 -1.406 17.009 -8.680 1.00 0.00 C ATOM 1256 O ASP A 94 -1.809 18.134 -8.379 1.00 0.00 O ATOM 1257 CB ASP A 94 0.671 16.345 -7.437 1.00 0.00 C ATOM 1258 CG ASP A 94 0.973 17.716 -6.856 1.00 0.00 C ATOM 1259 OD1 ASP A 94 1.008 17.852 -5.616 1.00 0.00 O ATOM 1260 OD2 ASP A 94 1.200 18.662 -7.639 1.00 0.00 O ATOM 0 H ASP A 94 -0.155 14.190 -8.233 1.00 0.00 H new ATOM 0 HA ASP A 94 -1.345 16.268 -6.690 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.087 15.581 -6.780 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.176 16.247 -8.398 1.00 0.00 H new ATOM 1265 N GLY A 95 -1.490 16.517 -9.910 1.00 0.00 N ATOM 1266 CA GLY A 95 -2.031 17.314 -10.986 1.00 0.00 C ATOM 1267 C GLY A 95 -3.539 17.424 -10.906 1.00 0.00 C ATOM 1268 O GLY A 95 -4.144 18.246 -11.591 1.00 0.00 O ATOM 0 H GLY A 95 -1.192 15.579 -10.178 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -1.592 18.311 -10.955 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -1.750 16.872 -11.942 1.00 0.00 H new ATOM 1272 N ALA A 96 -4.148 16.596 -10.063 1.00 0.00 N ATOM 1273 CA ALA A 96 -5.592 16.602 -9.902 1.00 0.00 C ATOM 1274 C ALA A 96 -5.993 17.332 -8.627 1.00 0.00 C ATOM 1275 O ALA A 96 -7.165 17.316 -8.247 1.00 0.00 O ATOM 1276 CB ALA A 96 -6.136 15.176 -9.886 1.00 0.00 C ATOM 0 H ALA A 96 -3.661 15.913 -9.482 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.023 17.131 -10.752 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.219 15.201 -9.765 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -5.887 14.681 -10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.691 14.626 -9.057 1.00 0.00 H new ATOM 1282 N ASN A 97 -5.007 17.950 -7.959 1.00 0.00 N ATOM 1283 CA ASN A 97 -5.237 18.684 -6.707 1.00 0.00 C ATOM 1284 C ASN A 97 -5.463 17.693 -5.569 1.00 0.00 C ATOM 1285 O ASN A 97 -5.817 18.058 -4.446 1.00 0.00 O ATOM 1286 CB ASN A 97 -6.428 19.645 -6.842 1.00 0.00 C ATOM 1287 CG ASN A 97 -6.605 20.565 -5.649 1.00 0.00 C ATOM 1288 OD1 ASN A 97 -5.642 20.975 -5.007 1.00 0.00 O ATOM 1289 ND2 ASN A 97 -7.848 20.902 -5.352 1.00 0.00 N ATOM 0 H ASN A 97 -4.035 17.955 -8.269 1.00 0.00 H new ATOM 0 HA ASN A 97 -4.356 19.286 -6.484 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -6.296 20.249 -7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.339 19.063 -6.980 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.034 21.524 -4.565 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.622 20.540 -5.910 1.00 0.00 H new ATOM 1296 N ILE A 98 -5.245 16.428 -5.880 1.00 0.00 N ATOM 1297 CA ILE A 98 -5.342 15.364 -4.906 1.00 0.00 C ATOM 1298 C ILE A 98 -3.978 15.146 -4.258 1.00 0.00 C ATOM 1299 O ILE A 98 -2.948 15.176 -4.933 1.00 0.00 O ATOM 1300 CB ILE A 98 -5.864 14.056 -5.562 1.00 0.00 C ATOM 1301 CG1 ILE A 98 -7.388 13.971 -5.458 1.00 0.00 C ATOM 1302 CG2 ILE A 98 -5.221 12.821 -4.959 1.00 0.00 C ATOM 1303 CD1 ILE A 98 -8.122 14.962 -6.329 1.00 0.00 C ATOM 0 H ILE A 98 -4.996 16.112 -6.817 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.059 15.649 -4.136 1.00 0.00 H new ATOM 0 HB ILE A 98 -5.584 14.089 -6.615 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -7.704 12.963 -5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.680 14.130 -4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.615 11.930 -5.448 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.141 12.866 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.444 12.779 -3.893 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -9.197 14.836 -6.197 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -7.838 15.976 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -7.862 14.791 -7.374 1.00 0.00 H new ATOM 1315 N THR A 99 -3.967 14.945 -2.952 1.00 0.00 N ATOM 1316 CA THR A 99 -2.716 14.791 -2.231 1.00 0.00 C ATOM 1317 C THR A 99 -2.672 13.473 -1.473 1.00 0.00 C ATOM 1318 O THR A 99 -3.692 12.804 -1.311 1.00 0.00 O ATOM 1319 CB THR A 99 -2.483 15.949 -1.249 1.00 0.00 C ATOM 1320 OG1 THR A 99 -3.663 16.181 -0.464 1.00 0.00 O ATOM 1321 CG2 THR A 99 -2.091 17.226 -1.981 1.00 0.00 C ATOM 0 H THR A 99 -4.804 14.885 -2.372 1.00 0.00 H new ATOM 0 HA THR A 99 -1.922 14.799 -2.978 1.00 0.00 H new ATOM 0 HB THR A 99 -1.661 15.667 -0.591 1.00 0.00 H new ATOM 0 HG1 THR A 99 -3.501 16.920 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.933 18.026 -1.258 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.171 17.057 -2.541 1.00 0.00 H new ATOM 0 HG23 THR A 99 -2.887 17.510 -2.669 1.00 0.00 H new ATOM 1329 N LEU A 100 -1.477 13.089 -1.044 1.00 0.00 N ATOM 1330 CA LEU A 100 -1.305 11.862 -0.289 1.00 0.00 C ATOM 1331 C LEU A 100 -0.118 11.985 0.670 1.00 0.00 C ATOM 1332 O LEU A 100 1.036 11.900 0.253 1.00 0.00 O ATOM 1333 CB LEU A 100 -1.153 10.681 -1.255 1.00 0.00 C ATOM 1334 CG LEU A 100 -1.300 9.303 -0.632 1.00 0.00 C ATOM 1335 CD1 LEU A 100 -0.008 8.838 -0.007 1.00 0.00 C ATOM 1336 CD2 LEU A 100 -2.423 9.340 0.380 1.00 0.00 C ATOM 0 H LEU A 100 -0.616 13.611 -1.207 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.188 11.680 0.323 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.895 10.784 -2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.173 10.744 -1.727 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.544 8.581 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.150 7.849 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.769 8.790 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.292 9.538 0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.537 8.355 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.191 10.071 1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.352 9.620 -0.117 1.00 0.00 H new ATOM 1348 N PRO A 101 -0.401 12.170 1.972 1.00 0.00 N ATOM 1349 CA PRO A 101 0.628 12.441 2.995 1.00 0.00 C ATOM 1350 C PRO A 101 1.509 11.236 3.334 1.00 0.00 C ATOM 1351 O PRO A 101 2.482 11.365 4.077 1.00 0.00 O ATOM 1352 CB PRO A 101 -0.200 12.839 4.215 1.00 0.00 C ATOM 1353 CG PRO A 101 -1.491 12.126 4.033 1.00 0.00 C ATOM 1354 CD PRO A 101 -1.755 12.152 2.555 1.00 0.00 C ATOM 0 HA PRO A 101 1.333 13.196 2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.291 12.543 5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -0.345 13.918 4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -1.430 11.103 4.403 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.293 12.618 4.584 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -2.321 11.279 2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -2.331 13.031 2.264 1.00 0.00 H new ATOM 1362 N HIS A 102 1.156 10.070 2.809 1.00 0.00 N ATOM 1363 CA HIS A 102 1.949 8.861 3.029 1.00 0.00 C ATOM 1364 C HIS A 102 3.123 8.787 2.062 1.00 0.00 C ATOM 1365 O HIS A 102 4.053 8.007 2.265 1.00 0.00 O ATOM 1366 CB HIS A 102 1.109 7.593 2.873 1.00 0.00 C ATOM 1367 CG HIS A 102 0.246 7.257 4.049 1.00 0.00 C ATOM 1368 ND1 HIS A 102 0.539 6.230 4.914 1.00 0.00 N ATOM 1369 CD2 HIS A 102 -0.916 7.797 4.483 1.00 0.00 C ATOM 1370 CE1 HIS A 102 -0.407 6.151 5.832 1.00 0.00 C ATOM 1371 NE2 HIS A 102 -1.305 7.089 5.594 1.00 0.00 N ATOM 0 H HIS A 102 0.328 9.933 2.229 1.00 0.00 H new ATOM 0 HA HIS A 102 2.319 8.920 4.053 1.00 0.00 H new ATOM 0 HB2 HIS A 102 0.473 7.702 1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 102 1.777 6.754 2.680 1.00 0.00 H new ATOM 0 HD1 HIS A 102 1.358 5.624 4.856 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -1.440 8.630 4.039 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -0.440 5.438 6.642 1.00 0.00 H new ATOM 1380 N GLY A 103 3.072 9.600 1.009 1.00 0.00 N ATOM 1381 CA GLY A 103 4.096 9.552 -0.013 1.00 0.00 C ATOM 1382 C GLY A 103 4.043 8.271 -0.819 1.00 0.00 C ATOM 1383 O GLY A 103 5.077 7.712 -1.185 1.00 0.00 O ATOM 0 H GLY A 103 2.338 10.290 0.848 1.00 0.00 H new ATOM 0 HA2 GLY A 103 3.979 10.405 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 103 5.077 9.645 0.454 1.00 0.00 H new ATOM 1387 N ALA A 104 2.838 7.793 -1.092 1.00 0.00 N ATOM 1388 CA ALA A 104 2.666 6.529 -1.778 1.00 0.00 C ATOM 1389 C ALA A 104 1.611 6.624 -2.869 1.00 0.00 C ATOM 1390 O ALA A 104 0.695 7.440 -2.801 1.00 0.00 O ATOM 1391 CB ALA A 104 2.301 5.441 -0.779 1.00 0.00 C ATOM 0 H ALA A 104 1.967 8.264 -0.847 1.00 0.00 H new ATOM 0 HA ALA A 104 3.611 6.274 -2.257 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.173 4.494 -1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 104 3.097 5.343 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 104 1.371 5.706 -0.276 1.00 0.00 H new ATOM 1397 N LEU A 105 1.767 5.772 -3.877 1.00 0.00 N ATOM 1398 CA LEU A 105 0.838 5.694 -4.999 1.00 0.00 C ATOM 1399 C LEU A 105 -0.388 4.892 -4.582 1.00 0.00 C ATOM 1400 O LEU A 105 -1.468 5.023 -5.151 1.00 0.00 O ATOM 1401 CB LEU A 105 1.543 5.021 -6.194 1.00 0.00 C ATOM 1402 CG LEU A 105 0.826 5.100 -7.552 1.00 0.00 C ATOM 1403 CD1 LEU A 105 -0.192 3.984 -7.714 1.00 0.00 C ATOM 1404 CD2 LEU A 105 0.151 6.451 -7.707 1.00 0.00 C ATOM 0 H LEU A 105 2.544 5.114 -3.939 1.00 0.00 H new ATOM 0 HA LEU A 105 0.520 6.694 -5.294 1.00 0.00 H new ATOM 0 HB2 LEU A 105 2.530 5.470 -6.304 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.696 3.970 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 105 1.577 4.980 -8.333 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.678 4.073 -8.686 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.312 3.020 -7.647 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.941 4.057 -6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.354 6.497 -8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.579 6.587 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.900 7.241 -7.652 1.00 0.00 H new ATOM 1416 N THR A 106 -0.204 4.080 -3.556 1.00 0.00 N ATOM 1417 CA THR A 106 -1.228 3.151 -3.116 1.00 0.00 C ATOM 1418 C THR A 106 -2.187 3.782 -2.112 1.00 0.00 C ATOM 1419 O THR A 106 -2.810 3.084 -1.313 1.00 0.00 O ATOM 1420 CB THR A 106 -0.584 1.903 -2.503 1.00 0.00 C ATOM 1421 OG1 THR A 106 0.348 2.284 -1.481 1.00 0.00 O ATOM 1422 CG2 THR A 106 0.138 1.109 -3.574 1.00 0.00 C ATOM 0 H THR A 106 0.655 4.046 -3.007 1.00 0.00 H new ATOM 0 HA THR A 106 -1.807 2.872 -3.996 1.00 0.00 H new ATOM 0 HB THR A 106 -1.368 1.285 -2.065 1.00 0.00 H new ATOM 0 HG1 THR A 106 0.973 1.547 -1.317 1.00 0.00 H new ATOM 0 HG21 THR A 106 0.592 0.224 -3.127 1.00 0.00 H new ATOM 0 HG22 THR A 106 -0.573 0.804 -4.342 1.00 0.00 H new ATOM 0 HG23 THR A 106 0.915 1.727 -4.024 1.00 0.00 H new ATOM 1430 N GLU A 107 -2.288 5.099 -2.160 1.00 0.00 N ATOM 1431 CA GLU A 107 -3.253 5.847 -1.367 1.00 0.00 C ATOM 1432 C GLU A 107 -3.521 7.174 -2.054 1.00 0.00 C ATOM 1433 O GLU A 107 -2.642 7.699 -2.735 1.00 0.00 O ATOM 1434 CB GLU A 107 -2.746 6.097 0.061 1.00 0.00 C ATOM 1435 CG GLU A 107 -2.877 4.910 0.990 1.00 0.00 C ATOM 1436 CD GLU A 107 -2.576 5.264 2.430 1.00 0.00 C ATOM 1437 OE1 GLU A 107 -3.341 6.049 3.028 1.00 0.00 O ATOM 1438 OE2 GLU A 107 -1.589 4.741 2.986 1.00 0.00 O ATOM 0 H GLU A 107 -1.700 5.685 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.169 5.260 -1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -1.698 6.392 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -3.295 6.937 0.486 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -3.888 4.509 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -2.199 4.121 0.664 1.00 0.00 H new ATOM 1445 N CYS A 108 -4.723 7.706 -1.898 1.00 0.00 N ATOM 1446 CA CYS A 108 -5.056 8.997 -2.491 1.00 0.00 C ATOM 1447 C CYS A 108 -6.115 9.716 -1.673 1.00 0.00 C ATOM 1448 O CYS A 108 -7.063 9.094 -1.187 1.00 0.00 O ATOM 1449 CB CYS A 108 -5.542 8.833 -3.940 1.00 0.00 C ATOM 1450 SG CYS A 108 -4.305 8.160 -5.076 1.00 0.00 S ATOM 0 H CYS A 108 -5.480 7.271 -1.371 1.00 0.00 H new ATOM 0 HA CYS A 108 -4.146 9.597 -2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.415 8.180 -3.945 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.868 9.804 -4.312 1.00 0.00 H new ATOM 0 HG CYS A 108 -3.212 7.898 -4.422 1.00 0.00 H new ATOM 1456 N TYR A 109 -5.947 11.027 -1.516 1.00 0.00 N ATOM 1457 CA TYR A 109 -6.928 11.849 -0.820 1.00 0.00 C ATOM 1458 C TYR A 109 -7.483 12.902 -1.764 1.00 0.00 C ATOM 1459 O TYR A 109 -6.739 13.720 -2.305 1.00 0.00 O ATOM 1460 CB TYR A 109 -6.307 12.557 0.394 1.00 0.00 C ATOM 1461 CG TYR A 109 -5.912 11.645 1.538 1.00 0.00 C ATOM 1462 CD1 TYR A 109 -6.115 10.274 1.475 1.00 0.00 C ATOM 1463 CD2 TYR A 109 -5.332 12.164 2.685 1.00 0.00 C ATOM 1464 CE1 TYR A 109 -5.750 9.447 2.516 1.00 0.00 C ATOM 1465 CE2 TYR A 109 -4.964 11.343 3.732 1.00 0.00 C ATOM 1466 CZ TYR A 109 -5.174 9.989 3.645 1.00 0.00 C ATOM 1467 OH TYR A 109 -4.806 9.174 4.692 1.00 0.00 O ATOM 0 H TYR A 109 -5.138 11.542 -1.863 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.724 11.190 -0.475 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -5.423 13.103 0.064 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -7.017 13.295 0.767 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -6.568 9.846 0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -5.165 13.228 2.761 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -5.914 8.382 2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.512 11.765 4.618 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.414 9.717 5.407 1.00 0.00 H new ATOM 1477 N ASP A 110 -8.791 12.875 -1.942 1.00 0.00 N ATOM 1478 CA ASP A 110 -9.472 13.835 -2.799 1.00 0.00 C ATOM 1479 C ASP A 110 -9.766 15.112 -2.024 1.00 0.00 C ATOM 1480 O ASP A 110 -10.069 15.067 -0.827 1.00 0.00 O ATOM 1481 CB ASP A 110 -10.763 13.225 -3.347 1.00 0.00 C ATOM 1482 CG ASP A 110 -11.917 14.208 -3.346 1.00 0.00 C ATOM 1483 OD1 ASP A 110 -11.962 15.082 -4.231 1.00 0.00 O ATOM 1484 OD2 ASP A 110 -12.770 14.117 -2.436 1.00 0.00 O ATOM 0 H ASP A 110 -9.409 12.194 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.825 14.084 -3.640 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.591 12.873 -4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -11.032 12.354 -2.749 1.00 0.00 H new ATOM 1489 N GLU A 111 -9.686 16.237 -2.748 1.00 0.00 N ATOM 1490 CA GLU A 111 -9.751 17.579 -2.172 1.00 0.00 C ATOM 1491 C GLU A 111 -11.049 17.806 -1.411 1.00 0.00 C ATOM 1492 O GLU A 111 -11.085 18.575 -0.446 1.00 0.00 O ATOM 1493 CB GLU A 111 -9.636 18.637 -3.277 1.00 0.00 C ATOM 1494 CG GLU A 111 -10.916 18.815 -4.089 1.00 0.00 C ATOM 1495 CD GLU A 111 -10.807 19.924 -5.116 1.00 0.00 C ATOM 1496 OE1 GLU A 111 -10.218 19.699 -6.194 1.00 0.00 O ATOM 1497 OE2 GLU A 111 -11.305 21.037 -4.839 1.00 0.00 O ATOM 0 H GLU A 111 -9.573 16.236 -3.762 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.918 17.669 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.366 19.592 -2.827 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.824 18.361 -3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.154 17.879 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.743 19.031 -3.413 1.00 0.00 H new ATOM 1504 N LEU A 112 -12.111 17.163 -1.875 1.00 0.00 N ATOM 1505 CA LEU A 112 -13.424 17.321 -1.280 1.00 0.00 C ATOM 1506 C LEU A 112 -13.439 16.680 0.097 1.00 0.00 C ATOM 1507 O LEU A 112 -14.005 17.219 1.049 1.00 0.00 O ATOM 1508 CB LEU A 112 -14.472 16.673 -2.179 1.00 0.00 C ATOM 1509 CG LEU A 112 -14.366 17.045 -3.657 1.00 0.00 C ATOM 1510 CD1 LEU A 112 -15.231 16.121 -4.493 1.00 0.00 C ATOM 1511 CD2 LEU A 112 -14.766 18.494 -3.873 1.00 0.00 C ATOM 0 H LEU A 112 -12.085 16.523 -2.668 1.00 0.00 H new ATOM 0 HA LEU A 112 -13.655 18.381 -1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -14.392 15.590 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -15.462 16.952 -1.819 1.00 0.00 H new ATOM 0 HG LEU A 112 -13.329 16.928 -3.972 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -15.147 16.396 -5.544 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -14.898 15.092 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -16.270 16.210 -4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -14.684 18.740 -4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -15.795 18.640 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -14.106 19.143 -3.297 1.00 0.00 H new ATOM 1523 N GLY A 113 -12.798 15.528 0.188 1.00 0.00 N ATOM 1524 CA GLY A 113 -12.677 14.834 1.449 1.00 0.00 C ATOM 1525 C GLY A 113 -12.801 13.336 1.279 1.00 0.00 C ATOM 1526 O GLY A 113 -13.485 12.672 2.054 1.00 0.00 O ATOM 0 H GLY A 113 -12.354 15.056 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -11.715 15.070 1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -13.448 15.187 2.134 1.00 0.00 H new ATOM 1530 N ASN A 114 -12.146 12.798 0.258 1.00 0.00 N ATOM 1531 CA ASN A 114 -12.219 11.367 -0.009 1.00 0.00 C ATOM 1532 C ASN A 114 -10.890 10.700 0.320 1.00 0.00 C ATOM 1533 O ASN A 114 -9.838 11.337 0.253 1.00 0.00 O ATOM 1534 CB ASN A 114 -12.581 11.099 -1.475 1.00 0.00 C ATOM 1535 CG ASN A 114 -13.122 9.704 -1.700 1.00 0.00 C ATOM 1536 OD1 ASN A 114 -12.938 9.131 -2.763 1.00 0.00 O ATOM 1537 ND2 ASN A 114 -13.826 9.163 -0.711 1.00 0.00 N ATOM 0 H ASN A 114 -11.564 13.325 -0.393 1.00 0.00 H new ATOM 0 HA ASN A 114 -13.000 10.947 0.624 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -13.323 11.828 -1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -11.697 11.245 -2.095 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.236 8.236 -0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -13.956 9.675 0.162 1.00 0.00 H new ATOM 1544 N ARG A 115 -10.937 9.423 0.672 1.00 0.00 N ATOM 1545 CA ARG A 115 -9.737 8.673 1.010 1.00 0.00 C ATOM 1546 C ARG A 115 -9.756 7.313 0.331 1.00 0.00 C ATOM 1547 O ARG A 115 -10.732 6.574 0.431 1.00 0.00 O ATOM 1548 CB ARG A 115 -9.614 8.513 2.530 1.00 0.00 C ATOM 1549 CG ARG A 115 -8.524 7.548 2.968 1.00 0.00 C ATOM 1550 CD ARG A 115 -8.382 7.512 4.482 1.00 0.00 C ATOM 1551 NE ARG A 115 -9.543 6.901 5.142 1.00 0.00 N ATOM 1552 CZ ARG A 115 -10.150 7.416 6.216 1.00 0.00 C ATOM 1553 NH1 ARG A 115 -9.773 8.597 6.695 1.00 0.00 N ATOM 1554 NH2 ARG A 115 -11.146 6.760 6.805 1.00 0.00 N ATOM 0 H ARG A 115 -11.800 8.882 0.731 1.00 0.00 H new ATOM 0 HA ARG A 115 -8.869 9.227 0.652 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -9.418 9.490 2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -10.569 8.169 2.927 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -8.753 6.548 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -7.575 7.843 2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -7.483 6.955 4.746 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -8.249 8.527 4.855 1.00 0.00 H new ATOM 0 HE ARG A 115 -9.909 6.030 4.757 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -9.018 9.113 6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -10.238 8.987 7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -11.451 5.859 6.438 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -11.605 7.158 7.624 1.00 0.00 H new ATOM 1568 N TYR A 116 -8.678 6.999 -0.369 1.00 0.00 N ATOM 1569 CA TYR A 116 -8.536 5.718 -1.030 1.00 0.00 C ATOM 1570 C TYR A 116 -7.362 4.968 -0.446 1.00 0.00 C ATOM 1571 O TYR A 116 -6.310 5.556 -0.193 1.00 0.00 O ATOM 1572 CB TYR A 116 -8.300 5.893 -2.530 1.00 0.00 C ATOM 1573 CG TYR A 116 -9.497 6.367 -3.313 1.00 0.00 C ATOM 1574 CD1 TYR A 116 -10.429 5.457 -3.793 1.00 0.00 C ATOM 1575 CD2 TYR A 116 -9.677 7.711 -3.606 1.00 0.00 C ATOM 1576 CE1 TYR A 116 -11.508 5.874 -4.541 1.00 0.00 C ATOM 1577 CE2 TYR A 116 -10.746 8.133 -4.371 1.00 0.00 C ATOM 1578 CZ TYR A 116 -11.654 7.208 -4.832 1.00 0.00 C ATOM 1579 OH TYR A 116 -12.688 7.622 -5.626 1.00 0.00 O ATOM 0 H TYR A 116 -7.882 7.624 -0.493 1.00 0.00 H new ATOM 0 HA TYR A 116 -9.460 5.161 -0.877 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -7.486 6.604 -2.674 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.968 4.941 -2.944 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -10.306 4.406 -3.577 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -8.971 8.437 -3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -12.234 5.157 -4.896 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -10.868 9.180 -4.605 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.875 6.938 -6.302 1.00 0.00 H new ATOM 1589 N GLN A 117 -7.545 3.681 -0.233 1.00 0.00 N ATOM 1590 CA GLN A 117 -6.482 2.818 0.246 1.00 0.00 C ATOM 1591 C GLN A 117 -6.300 1.701 -0.771 1.00 0.00 C ATOM 1592 O GLN A 117 -7.238 0.951 -1.044 1.00 0.00 O ATOM 1593 CB GLN A 117 -6.851 2.248 1.621 1.00 0.00 C ATOM 1594 CG GLN A 117 -7.406 3.295 2.583 1.00 0.00 C ATOM 1595 CD GLN A 117 -6.331 4.158 3.213 1.00 0.00 C ATOM 1596 OE1 GLN A 117 -5.864 3.876 4.313 1.00 0.00 O ATOM 1597 NE2 GLN A 117 -5.917 5.204 2.519 1.00 0.00 N ATOM 0 H GLN A 117 -8.433 3.203 -0.386 1.00 0.00 H new ATOM 0 HA GLN A 117 -5.552 3.375 0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -7.589 1.457 1.492 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -5.967 1.790 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.108 3.934 2.048 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -7.968 2.793 3.371 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -6.329 5.407 1.608 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -5.186 5.808 2.894 1.00 0.00 H new ATOM 1606 N LEU A 118 -5.115 1.604 -1.351 1.00 0.00 N ATOM 1607 CA LEU A 118 -4.905 0.710 -2.478 1.00 0.00 C ATOM 1608 C LEU A 118 -4.344 -0.641 -2.061 1.00 0.00 C ATOM 1609 O LEU A 118 -3.231 -0.739 -1.547 1.00 0.00 O ATOM 1610 CB LEU A 118 -4.000 1.362 -3.527 1.00 0.00 C ATOM 1611 CG LEU A 118 -4.716 2.140 -4.636 1.00 0.00 C ATOM 1612 CD1 LEU A 118 -5.652 1.219 -5.399 1.00 0.00 C ATOM 1613 CD2 LEU A 118 -5.472 3.333 -4.070 1.00 0.00 C ATOM 0 H LEU A 118 -4.289 2.129 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.886 0.526 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.315 2.040 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -3.393 0.584 -3.989 1.00 0.00 H new ATOM 0 HG LEU A 118 -3.965 2.524 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -6.156 1.782 -6.185 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -5.079 0.406 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.394 0.807 -4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -5.970 3.866 -4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.216 2.986 -3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -4.772 4.004 -3.571 1.00 0.00 H new ATOM 1625 N PRO A 119 -5.143 -1.695 -2.279 1.00 0.00 N ATOM 1626 CA PRO A 119 -4.776 -3.086 -1.976 1.00 0.00 C ATOM 1627 C PRO A 119 -3.678 -3.644 -2.888 1.00 0.00 C ATOM 1628 O PRO A 119 -3.507 -3.212 -4.029 1.00 0.00 O ATOM 1629 CB PRO A 119 -6.097 -3.843 -2.189 1.00 0.00 C ATOM 1630 CG PRO A 119 -7.141 -2.785 -2.121 1.00 0.00 C ATOM 1631 CD PRO A 119 -6.513 -1.614 -2.794 1.00 0.00 C ATOM 0 HA PRO A 119 -4.358 -3.182 -0.974 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -6.112 -4.355 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -6.249 -4.602 -1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -8.055 -3.094 -2.628 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -7.410 -2.556 -1.090 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -6.550 -1.694 -3.880 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -6.999 -0.676 -2.527 1.00 0.00 H new ATOM 1639 N VAL A 120 -2.970 -4.642 -2.362 1.00 0.00 N ATOM 1640 CA VAL A 120 -1.765 -5.190 -2.987 1.00 0.00 C ATOM 1641 C VAL A 120 -2.074 -6.025 -4.225 1.00 0.00 C ATOM 1642 O VAL A 120 -1.224 -6.186 -5.095 1.00 0.00 O ATOM 1643 CB VAL A 120 -0.974 -6.082 -1.996 1.00 0.00 C ATOM 1644 CG1 VAL A 120 -0.705 -5.355 -0.693 1.00 0.00 C ATOM 1645 CG2 VAL A 120 -1.696 -7.398 -1.730 1.00 0.00 C ATOM 0 H VAL A 120 -3.217 -5.097 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 120 -1.170 -4.326 -3.281 1.00 0.00 H new ATOM 0 HB VAL A 120 -0.017 -6.309 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -0.149 -6.008 -0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.121 -4.456 -0.892 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.651 -5.077 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -1.113 -7.998 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.678 -7.194 -1.302 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -1.814 -7.944 -2.666 1.00 0.00 H new ATOM 1655 N TYR A 121 -3.300 -6.529 -4.292 1.00 0.00 N ATOM 1656 CA TYR A 121 -3.679 -7.544 -5.278 1.00 0.00 C ATOM 1657 C TYR A 121 -3.403 -7.104 -6.720 1.00 0.00 C ATOM 1658 O TYR A 121 -3.120 -7.937 -7.581 1.00 0.00 O ATOM 1659 CB TYR A 121 -5.158 -7.921 -5.113 1.00 0.00 C ATOM 1660 CG TYR A 121 -6.133 -6.896 -5.655 1.00 0.00 C ATOM 1661 CD1 TYR A 121 -6.175 -5.604 -5.147 1.00 0.00 C ATOM 1662 CD2 TYR A 121 -7.013 -7.223 -6.681 1.00 0.00 C ATOM 1663 CE1 TYR A 121 -7.062 -4.672 -5.641 1.00 0.00 C ATOM 1664 CE2 TYR A 121 -7.905 -6.293 -7.182 1.00 0.00 C ATOM 1665 CZ TYR A 121 -7.926 -5.019 -6.657 1.00 0.00 C ATOM 1666 OH TYR A 121 -8.813 -4.088 -7.149 1.00 0.00 O ATOM 0 H TYR A 121 -4.059 -6.250 -3.670 1.00 0.00 H new ATOM 0 HA TYR A 121 -3.055 -8.417 -5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -5.335 -8.873 -5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 121 -5.364 -8.075 -4.054 1.00 0.00 H new ATOM 0 HD1 TYR A 121 -5.501 -5.325 -4.351 1.00 0.00 H new ATOM 0 HD2 TYR A 121 -6.999 -8.221 -7.094 1.00 0.00 H new ATOM 0 HE1 TYR A 121 -7.080 -3.672 -5.233 1.00 0.00 H new ATOM 0 HE2 TYR A 121 -8.581 -6.563 -7.980 1.00 0.00 H new ATOM 0 HH TYR A 121 -9.349 -4.492 -7.862 1.00 0.00 H new ATOM 1676 N CYS A 122 -3.465 -5.805 -6.976 1.00 0.00 N ATOM 1677 CA CYS A 122 -3.311 -5.292 -8.331 1.00 0.00 C ATOM 1678 C CYS A 122 -1.890 -4.775 -8.573 1.00 0.00 C ATOM 1679 O CYS A 122 -1.557 -4.353 -9.680 1.00 0.00 O ATOM 1680 CB CYS A 122 -4.338 -4.177 -8.578 1.00 0.00 C ATOM 1681 SG CYS A 122 -4.286 -3.452 -10.236 1.00 0.00 S ATOM 0 H CYS A 122 -3.620 -5.089 -6.267 1.00 0.00 H new ATOM 0 HA CYS A 122 -3.487 -6.108 -9.032 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -5.337 -4.577 -8.403 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -4.178 -3.386 -7.845 1.00 0.00 H new ATOM 0 HG CYS A 122 -3.098 -3.606 -10.740 1.00 0.00 H new ATOM 1687 N LEU A 123 -1.043 -4.829 -7.551 1.00 0.00 N ATOM 1688 CA LEU A 123 0.291 -4.245 -7.659 1.00 0.00 C ATOM 1689 C LEU A 123 1.371 -5.185 -7.128 1.00 0.00 C ATOM 1690 O LEU A 123 2.137 -5.765 -7.902 1.00 0.00 O ATOM 1691 CB LEU A 123 0.346 -2.914 -6.902 1.00 0.00 C ATOM 1692 CG LEU A 123 -0.560 -1.807 -7.447 1.00 0.00 C ATOM 1693 CD1 LEU A 123 -0.495 -0.592 -6.543 1.00 0.00 C ATOM 1694 CD2 LEU A 123 -0.154 -1.433 -8.866 1.00 0.00 C ATOM 0 H LEU A 123 -1.250 -5.263 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 123 0.488 -4.075 -8.718 1.00 0.00 H new ATOM 0 HB2 LEU A 123 0.080 -3.097 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 123 1.375 -2.554 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 123 -1.586 -2.176 -7.470 1.00 0.00 H new ATOM 0 HD11 LEU A 123 -1.143 0.191 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 123 -0.826 -0.866 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 123 0.531 -0.226 -6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 123 -0.810 -0.645 -9.236 1.00 0.00 H new ATOM 0 HD22 LEU A 123 0.877 -1.079 -8.868 1.00 0.00 H new ATOM 0 HD23 LEU A 123 -0.238 -2.308 -9.511 1.00 0.00 H new ATOM 1706 N ALA A 124 1.407 -5.355 -5.812 1.00 0.00 N ATOM 1707 CA ALA A 124 2.501 -6.064 -5.161 1.00 0.00 C ATOM 1708 C ALA A 124 2.009 -7.299 -4.428 1.00 0.00 C ATOM 1709 O ALA A 124 1.249 -7.195 -3.469 1.00 0.00 O ATOM 1710 CB ALA A 124 3.212 -5.142 -4.183 1.00 0.00 C ATOM 0 H ALA A 124 0.690 -5.011 -5.174 1.00 0.00 H new ATOM 0 HA ALA A 124 3.196 -6.384 -5.938 1.00 0.00 H new ATOM 0 HB1 ALA A 124 4.028 -5.681 -3.702 1.00 0.00 H new ATOM 0 HB2 ALA A 124 3.612 -4.282 -4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 124 2.506 -4.801 -3.426 1.00 0.00 H new ATOM 1716 N PRO A 125 2.441 -8.491 -4.856 1.00 0.00 N ATOM 1717 CA PRO A 125 2.092 -9.739 -4.205 1.00 0.00 C ATOM 1718 C PRO A 125 3.196 -10.399 -3.330 1.00 0.00 C ATOM 1719 O PRO A 125 3.235 -11.626 -3.262 1.00 0.00 O ATOM 1720 CB PRO A 125 1.802 -10.618 -5.421 1.00 0.00 C ATOM 1721 CG PRO A 125 2.686 -10.084 -6.521 1.00 0.00 C ATOM 1722 CD PRO A 125 3.226 -8.749 -6.060 1.00 0.00 C ATOM 0 HA PRO A 125 1.288 -9.592 -3.484 1.00 0.00 H new ATOM 0 HB2 PRO A 125 2.024 -11.664 -5.211 1.00 0.00 H new ATOM 0 HB3 PRO A 125 0.750 -10.566 -5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.502 -10.777 -6.728 1.00 0.00 H new ATOM 0 HG3 PRO A 125 2.121 -9.971 -7.446 1.00 0.00 H new ATOM 0 HD2 PRO A 125 4.294 -8.795 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO A 125 3.084 -7.972 -6.811 1.00 0.00 H new ATOM 1730 N PRO A 126 4.113 -9.656 -2.641 1.00 0.00 N ATOM 1731 CA PRO A 126 5.044 -10.290 -1.698 1.00 0.00 C ATOM 1732 C PRO A 126 4.346 -10.690 -0.398 1.00 0.00 C ATOM 1733 O PRO A 126 4.833 -11.534 0.357 1.00 0.00 O ATOM 1734 CB PRO A 126 6.092 -9.209 -1.436 1.00 0.00 C ATOM 1735 CG PRO A 126 5.379 -7.928 -1.671 1.00 0.00 C ATOM 1736 CD PRO A 126 4.363 -8.204 -2.743 1.00 0.00 C ATOM 0 HA PRO A 126 5.469 -11.211 -2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 126 6.475 -9.268 -0.417 1.00 0.00 H new ATOM 0 HB3 PRO A 126 6.946 -9.315 -2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 126 4.897 -7.578 -0.758 1.00 0.00 H new ATOM 0 HG3 PRO A 126 6.073 -7.148 -1.984 1.00 0.00 H new ATOM 0 HD2 PRO A 126 3.450 -7.631 -2.583 1.00 0.00 H new ATOM 0 HD3 PRO A 126 4.741 -7.933 -3.729 1.00 0.00 H new ATOM 1744 N ILE A 127 3.196 -10.077 -0.146 1.00 0.00 N ATOM 1745 CA ILE A 127 2.374 -10.401 1.012 1.00 0.00 C ATOM 1746 C ILE A 127 1.372 -11.487 0.649 1.00 0.00 C ATOM 1747 O ILE A 127 0.167 -11.346 0.859 1.00 0.00 O ATOM 1748 CB ILE A 127 1.617 -9.165 1.575 1.00 0.00 C ATOM 1749 CG1 ILE A 127 1.101 -8.244 0.451 1.00 0.00 C ATOM 1750 CG2 ILE A 127 2.506 -8.397 2.541 1.00 0.00 C ATOM 1751 CD1 ILE A 127 2.142 -7.297 -0.128 1.00 0.00 C ATOM 0 H ILE A 127 2.808 -9.343 -0.738 1.00 0.00 H new ATOM 0 HA ILE A 127 3.049 -10.754 1.792 1.00 0.00 H new ATOM 0 HB ILE A 127 0.743 -9.529 2.116 1.00 0.00 H new ATOM 0 HG12 ILE A 127 0.706 -8.863 -0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.269 -7.655 0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 127 1.963 -7.534 2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 127 2.791 -9.047 3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 127 3.402 -8.059 2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 127 1.687 -6.690 -0.911 1.00 0.00 H new ATOM 0 HD12 ILE A 127 2.521 -6.647 0.661 1.00 0.00 H new ATOM 0 HD13 ILE A 127 2.965 -7.874 -0.549 1.00 0.00 H new