USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 636 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 84 MET CE :methyl 148:sc= -4.08 (180deg=-5.61!) USER MOD Set 1.2: A 88 ASN : amide:sc= -14.2! C(o=-18!,f=-20!) USER MOD Single : A 33 CYS SG : rot -21:sc= 0.735 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 138:sc= -5.65! (180deg=-9.77!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.36 K(o=-0.36,f=-2.1!) USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= -1.25 (180deg=-1.69) USER MOD Single : A 53 THR OG1 : rot 107:sc= 1.03 USER MOD Single : A 54 LYS NZ :NH3+ -165:sc= 0.199 (180deg=0.131) USER MOD Single : A 57 THR OG1 : rot 116:sc=-0.00931 USER MOD Single : A 73 ASN : amide:sc= 0.288 K(o=0.29,f=-1) USER MOD Single : A 74 GLN : amide:sc= -8.39! C(o=-8.4!,f=-13!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -157:sc= 0.0195 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -115:sc= -2.91! (180deg=-5.11!) USER MOD Single : A 86 GLN : amide:sc= -5.81! C(o=-5.8!,f=-12!) USER MOD Single : A 90 THR OG1 : rot 105:sc= 0.909 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.26) USER MOD Single : A 102 MET CE :methyl -157:sc= -4.33! (180deg=-6.8!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.594 K(o=-0.59,f=-0.016) USER MOD Single : A 115 ASN : amide:sc= -3.41 K(o=-3.4,f=-2.8) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N CYS A 33 -11.967 1.621 5.008 1.00 0.00 N ATOM 136 CA CYS A 33 -11.069 2.760 5.086 1.00 0.00 C ATOM 137 C CYS A 33 -10.478 3.003 3.697 1.00 0.00 C ATOM 138 O CYS A 33 -9.943 4.076 3.425 1.00 0.00 O ATOM 139 CB CYS A 33 -9.981 2.551 6.142 1.00 0.00 C ATOM 140 SG CYS A 33 -8.759 3.910 6.059 1.00 0.00 S ATOM 0 HA CYS A 33 -11.625 3.643 5.402 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -10.429 2.514 7.135 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.485 1.594 5.980 1.00 0.00 H new ATOM 0 HG CYS A 33 -8.821 4.479 4.892 1.00 0.00 H new ATOM 145 N LEU A 34 -10.594 1.987 2.853 1.00 0.00 N ATOM 146 CA LEU A 34 -10.077 2.077 1.498 1.00 0.00 C ATOM 147 C LEU A 34 -10.937 3.054 0.694 1.00 0.00 C ATOM 148 O LEU A 34 -10.607 3.384 -0.444 1.00 0.00 O ATOM 149 CB LEU A 34 -9.978 0.685 0.871 1.00 0.00 C ATOM 150 CG LEU A 34 -9.346 -0.401 1.743 1.00 0.00 C ATOM 151 CD1 LEU A 34 -8.893 -1.591 0.896 1.00 0.00 C ATOM 152 CD2 LEU A 34 -8.204 0.169 2.587 1.00 0.00 C ATOM 0 H LEU A 34 -11.038 1.098 3.082 1.00 0.00 H new ATOM 0 HA LEU A 34 -9.062 2.473 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.981 0.362 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -9.402 0.764 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.105 -0.768 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.447 -2.348 1.541 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.752 -2.016 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.156 -1.258 0.165 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.772 -0.624 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.437 0.580 1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -8.588 0.957 3.235 1.00 0.00 H new ATOM 163 N GLU A 35 -12.022 3.490 1.316 1.00 0.00 N ATOM 164 CA GLU A 35 -12.930 4.423 0.672 1.00 0.00 C ATOM 165 C GLU A 35 -12.611 5.857 1.101 1.00 0.00 C ATOM 166 O GLU A 35 -13.483 6.725 1.077 1.00 0.00 O ATOM 167 CB GLU A 35 -14.387 4.071 0.979 1.00 0.00 C ATOM 168 CG GLU A 35 -14.631 2.567 0.833 1.00 0.00 C ATOM 169 CD GLU A 35 -15.989 2.292 0.186 1.00 0.00 C ATOM 170 OE1 GLU A 35 -16.942 3.023 0.533 1.00 0.00 O ATOM 171 OE2 GLU A 35 -16.045 1.357 -0.642 1.00 0.00 O ATOM 0 H GLU A 35 -12.293 3.214 2.260 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.792 4.348 -0.407 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -14.635 4.386 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -15.047 4.617 0.305 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.840 2.124 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.588 2.091 1.813 1.00 0.00 H new ATOM 176 N LYS A 36 -11.359 6.061 1.484 1.00 0.00 N ATOM 177 CA LYS A 36 -10.914 7.374 1.918 1.00 0.00 C ATOM 178 C LYS A 36 -10.234 8.089 0.748 1.00 0.00 C ATOM 179 O LYS A 36 -9.901 9.270 0.847 1.00 0.00 O ATOM 180 CB LYS A 36 -10.033 7.258 3.163 1.00 0.00 C ATOM 181 CG LYS A 36 -10.885 7.065 4.421 1.00 0.00 C ATOM 182 CD LYS A 36 -10.756 8.267 5.358 1.00 0.00 C ATOM 183 CE LYS A 36 -10.535 7.814 6.803 1.00 0.00 C ATOM 184 NZ LYS A 36 -9.533 8.675 7.470 1.00 0.00 N ATOM 0 H LYS A 36 -10.639 5.339 1.503 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.766 7.986 2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.348 6.418 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.423 8.155 3.266 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -11.929 6.928 4.140 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.573 6.159 4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.924 8.894 5.038 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.657 8.878 5.298 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.477 7.852 7.350 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.199 6.777 6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.396 8.353 8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.630 8.618 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.868 9.660 7.473 1.00 0.00 H new ATOM 194 N LYS A 37 -10.047 7.344 -0.331 1.00 0.00 N ATOM 195 CA LYS A 37 -9.413 7.893 -1.518 1.00 0.00 C ATOM 196 C LYS A 37 -8.064 8.503 -1.134 1.00 0.00 C ATOM 197 O LYS A 37 -7.741 8.610 0.048 1.00 0.00 O ATOM 198 CB LYS A 37 -10.353 8.872 -2.224 1.00 0.00 C ATOM 199 CG LYS A 37 -11.542 8.138 -2.847 1.00 0.00 C ATOM 200 CD LYS A 37 -12.839 8.464 -2.102 1.00 0.00 C ATOM 201 CE LYS A 37 -13.907 8.987 -3.062 1.00 0.00 C ATOM 202 NZ LYS A 37 -13.824 10.460 -3.178 1.00 0.00 N ATOM 0 H LYS A 37 -10.323 6.365 -0.409 1.00 0.00 H new ATOM 0 HA LYS A 37 -9.212 7.104 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.712 9.615 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -9.807 9.411 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.640 8.420 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.364 7.063 -2.822 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.206 7.571 -1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.642 9.209 -1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.777 8.531 -4.044 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.896 8.700 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.557 10.798 -3.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.971 10.891 -2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.886 10.728 -3.539 1.00 0.00 H new ATOM 212 N VAL A 38 -7.312 8.887 -2.155 1.00 0.00 N ATOM 213 CA VAL A 38 -6.004 9.484 -1.939 1.00 0.00 C ATOM 214 C VAL A 38 -5.703 10.464 -3.074 1.00 0.00 C ATOM 215 O VAL A 38 -6.593 10.820 -3.845 1.00 0.00 O ATOM 216 CB VAL A 38 -4.946 8.388 -1.798 1.00 0.00 C ATOM 217 CG1 VAL A 38 -5.273 7.457 -0.629 1.00 0.00 C ATOM 218 CG2 VAL A 38 -4.795 7.600 -3.101 1.00 0.00 C ATOM 0 H VAL A 38 -7.583 8.797 -3.134 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.991 10.051 -1.008 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.992 8.870 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.505 6.687 -0.551 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -5.305 8.032 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.242 6.987 -0.798 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.037 6.827 -2.973 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.747 7.135 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.493 8.275 -3.902 1.00 0.00 H new ATOM 228 N ASP A 39 -4.444 10.873 -3.141 1.00 0.00 N ATOM 229 CA ASP A 39 -4.014 11.805 -4.169 1.00 0.00 C ATOM 230 C ASP A 39 -2.486 11.849 -4.204 1.00 0.00 C ATOM 231 O ASP A 39 -1.864 12.592 -3.446 1.00 0.00 O ATOM 232 CB ASP A 39 -4.521 13.220 -3.876 1.00 0.00 C ATOM 233 CG ASP A 39 -5.037 13.986 -5.096 1.00 0.00 C ATOM 234 OD1 ASP A 39 -5.052 13.375 -6.186 1.00 0.00 O ATOM 235 OD2 ASP A 39 -5.406 15.166 -4.909 1.00 0.00 O ATOM 0 H ASP A 39 -3.708 10.576 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.419 11.466 -5.123 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.322 13.158 -3.139 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.713 13.793 -3.421 1.00 0.00 H new ATOM 239 N MET A 40 -1.923 11.043 -5.093 1.00 0.00 N ATOM 240 CA MET A 40 -0.478 10.980 -5.237 1.00 0.00 C ATOM 241 C MET A 40 0.087 12.329 -5.686 1.00 0.00 C ATOM 242 O MET A 40 1.254 12.630 -5.438 1.00 0.00 O ATOM 243 CB MET A 40 -0.114 9.906 -6.264 1.00 0.00 C ATOM 244 CG MET A 40 -0.688 8.546 -5.863 1.00 0.00 C ATOM 245 SD MET A 40 0.321 7.809 -4.587 1.00 0.00 S ATOM 246 CE MET A 40 -0.347 8.632 -3.150 1.00 0.00 C ATOM 0 H MET A 40 -2.441 10.428 -5.721 1.00 0.00 H new ATOM 0 HA MET A 40 -0.045 10.730 -4.268 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.496 10.191 -7.244 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.970 9.835 -6.353 1.00 0.00 H new ATOM 0 HG2 MET A 40 -1.711 8.665 -5.506 1.00 0.00 H new ATOM 0 HG3 MET A 40 -0.728 7.889 -6.732 1.00 0.00 H new ATOM 0 HE1 MET A 40 -0.456 7.914 -2.337 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.328 9.430 -2.841 1.00 0.00 H new ATOM 0 HE3 MET A 40 -1.321 9.056 -3.393 1.00 0.00 H new ATOM 254 N SER A 41 -0.766 13.104 -6.339 1.00 0.00 N ATOM 255 CA SER A 41 -0.366 14.414 -6.825 1.00 0.00 C ATOM 256 C SER A 41 -0.198 15.379 -5.650 1.00 0.00 C ATOM 257 O SER A 41 0.262 16.506 -5.828 1.00 0.00 O ATOM 258 CB SER A 41 -1.385 14.966 -7.823 1.00 0.00 C ATOM 259 OG SER A 41 -0.799 15.902 -8.723 1.00 0.00 O ATOM 0 H SER A 41 -1.733 12.850 -6.543 1.00 0.00 H new ATOM 0 HA SER A 41 0.588 14.310 -7.341 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.820 14.143 -8.389 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.200 15.446 -7.281 1.00 0.00 H new ATOM 0 HG SER A 41 -1.482 16.230 -9.345 1.00 0.00 H new ATOM 264 N LYS A 42 -0.581 14.903 -4.474 1.00 0.00 N ATOM 265 CA LYS A 42 -0.478 15.709 -3.270 1.00 0.00 C ATOM 266 C LYS A 42 0.484 15.035 -2.290 1.00 0.00 C ATOM 267 O LYS A 42 1.262 15.709 -1.616 1.00 0.00 O ATOM 268 CB LYS A 42 -1.866 15.976 -2.684 1.00 0.00 C ATOM 269 CG LYS A 42 -2.903 16.163 -3.793 1.00 0.00 C ATOM 270 CD LYS A 42 -2.681 17.483 -4.534 1.00 0.00 C ATOM 271 CE LYS A 42 -3.824 17.762 -5.511 1.00 0.00 C ATOM 272 NZ LYS A 42 -3.764 19.160 -5.994 1.00 0.00 N ATOM 0 H LYS A 42 -0.963 13.968 -4.330 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.061 16.689 -3.502 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.160 15.145 -2.043 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.835 16.867 -2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.842 15.332 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.905 16.146 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.605 18.299 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -1.736 17.446 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.763 17.076 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.781 17.581 -5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.547 19.332 -6.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.844 19.810 -5.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.858 19.321 -6.479 1.00 0.00 H new ATOM 282 N VAL A 43 0.400 13.713 -2.241 1.00 0.00 N ATOM 283 CA VAL A 43 1.254 12.941 -1.355 1.00 0.00 C ATOM 284 C VAL A 43 2.289 12.181 -2.186 1.00 0.00 C ATOM 285 O VAL A 43 2.035 11.842 -3.341 1.00 0.00 O ATOM 286 CB VAL A 43 0.401 12.025 -0.476 1.00 0.00 C ATOM 287 CG1 VAL A 43 -0.980 11.801 -1.094 1.00 0.00 C ATOM 288 CG2 VAL A 43 1.111 10.692 -0.224 1.00 0.00 C ATOM 0 H VAL A 43 -0.247 13.157 -2.801 1.00 0.00 H new ATOM 0 HA VAL A 43 1.801 13.599 -0.680 1.00 0.00 H new ATOM 0 HB VAL A 43 0.261 12.519 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.566 11.146 -0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.491 12.758 -1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.869 11.339 -2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.484 10.059 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.295 10.192 -1.175 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.060 10.875 0.279 1.00 0.00 H new ATOM 298 N ASN A 44 3.433 11.935 -1.566 1.00 0.00 N ATOM 299 CA ASN A 44 4.508 11.220 -2.234 1.00 0.00 C ATOM 300 C ASN A 44 4.329 9.717 -2.014 1.00 0.00 C ATOM 301 O ASN A 44 4.146 9.269 -0.883 1.00 0.00 O ATOM 302 CB ASN A 44 5.871 11.622 -1.668 1.00 0.00 C ATOM 303 CG ASN A 44 6.491 12.760 -2.483 1.00 0.00 C ATOM 304 OD1 ASN A 44 5.897 13.289 -3.409 1.00 0.00 O ATOM 305 ND2 ASN A 44 7.713 13.105 -2.089 1.00 0.00 N ATOM 0 H ASN A 44 3.640 12.218 -0.608 1.00 0.00 H new ATOM 0 HA ASN A 44 4.470 11.468 -3.295 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.760 11.933 -0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 44 6.539 10.761 -1.673 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.211 13.854 -2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.152 12.621 -1.306 1.00 0.00 H new ATOM 311 N LEU A 45 4.388 8.979 -3.113 1.00 0.00 N ATOM 312 CA LEU A 45 4.235 7.535 -3.055 1.00 0.00 C ATOM 313 C LEU A 45 5.614 6.884 -2.927 1.00 0.00 C ATOM 314 O LEU A 45 5.738 5.782 -2.398 1.00 0.00 O ATOM 315 CB LEU A 45 3.426 7.033 -4.252 1.00 0.00 C ATOM 316 CG LEU A 45 4.226 6.352 -5.364 1.00 0.00 C ATOM 317 CD1 LEU A 45 5.281 7.299 -5.940 1.00 0.00 C ATOM 318 CD2 LEU A 45 4.841 5.041 -4.871 1.00 0.00 C ATOM 0 H LEU A 45 4.540 9.354 -4.049 1.00 0.00 H new ATOM 0 HA LEU A 45 3.664 7.248 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.676 6.331 -3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.890 7.878 -4.683 1.00 0.00 H new ATOM 0 HG LEU A 45 3.541 6.103 -6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.835 6.790 -6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.792 8.181 -6.352 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.969 7.601 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.404 4.576 -5.680 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.509 5.245 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.048 4.366 -4.547 1.00 0.00 H new ATOM 329 N GLU A 46 6.616 7.596 -3.423 1.00 0.00 N ATOM 330 CA GLU A 46 7.981 7.102 -3.372 1.00 0.00 C ATOM 331 C GLU A 46 8.391 6.822 -1.924 1.00 0.00 C ATOM 332 O GLU A 46 9.089 5.847 -1.651 1.00 0.00 O ATOM 333 CB GLU A 46 8.947 8.088 -4.033 1.00 0.00 C ATOM 334 CG GLU A 46 9.533 7.501 -5.319 1.00 0.00 C ATOM 335 CD GLU A 46 10.616 6.467 -5.005 1.00 0.00 C ATOM 336 OE1 GLU A 46 11.751 6.904 -4.716 1.00 0.00 O ATOM 337 OE2 GLU A 46 10.285 5.263 -5.063 1.00 0.00 O ATOM 0 H GLU A 46 6.509 8.511 -3.862 1.00 0.00 H new ATOM 0 HA GLU A 46 8.028 6.167 -3.931 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.426 9.018 -4.258 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.752 8.333 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.740 7.036 -5.905 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.954 8.300 -5.929 1.00 0.00 H new ATOM 342 N VAL A 47 7.939 7.695 -1.036 1.00 0.00 N ATOM 343 CA VAL A 47 8.249 7.554 0.377 1.00 0.00 C ATOM 344 C VAL A 47 7.499 6.346 0.941 1.00 0.00 C ATOM 345 O VAL A 47 7.683 5.984 2.102 1.00 0.00 O ATOM 346 CB VAL A 47 7.930 8.855 1.116 1.00 0.00 C ATOM 347 CG1 VAL A 47 8.847 9.989 0.652 1.00 0.00 C ATOM 348 CG2 VAL A 47 6.458 9.237 0.942 1.00 0.00 C ATOM 0 H VAL A 47 7.361 8.503 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 47 9.314 7.370 0.518 1.00 0.00 H new ATOM 0 HB VAL A 47 8.112 8.690 2.178 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.599 10.902 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 47 9.885 9.721 0.849 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.711 10.153 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 47 6.257 10.165 1.477 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.240 9.374 -0.117 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.827 8.444 1.342 1.00 0.00 H new ATOM 358 N ILE A 48 6.669 5.756 0.094 1.00 0.00 N ATOM 359 CA ILE A 48 5.890 4.596 0.493 1.00 0.00 C ATOM 360 C ILE A 48 6.383 3.368 -0.273 1.00 0.00 C ATOM 361 O ILE A 48 5.974 2.245 0.019 1.00 0.00 O ATOM 362 CB ILE A 48 4.395 4.870 0.320 1.00 0.00 C ATOM 363 CG1 ILE A 48 4.119 6.372 0.228 1.00 0.00 C ATOM 364 CG2 ILE A 48 3.583 4.206 1.435 1.00 0.00 C ATOM 365 CD1 ILE A 48 3.946 6.984 1.621 1.00 0.00 C ATOM 0 H ILE A 48 6.519 6.060 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 48 6.032 4.388 1.554 1.00 0.00 H new ATOM 0 HB ILE A 48 4.074 4.425 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.941 6.865 -0.290 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.220 6.545 -0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.524 4.416 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.746 3.128 1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.901 4.600 2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.751 8.052 1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 48 3.108 6.505 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.856 6.831 2.201 1.00 0.00 H new ATOM 376 N LYS A 49 7.255 3.621 -1.237 1.00 0.00 N ATOM 377 CA LYS A 49 7.809 2.550 -2.047 1.00 0.00 C ATOM 378 C LYS A 49 8.494 1.529 -1.136 1.00 0.00 C ATOM 379 O LYS A 49 8.268 0.327 -1.265 1.00 0.00 O ATOM 380 CB LYS A 49 8.725 3.117 -3.134 1.00 0.00 C ATOM 381 CG LYS A 49 8.238 2.713 -4.527 1.00 0.00 C ATOM 382 CD LYS A 49 6.726 2.903 -4.656 1.00 0.00 C ATOM 383 CE LYS A 49 6.004 1.554 -4.674 1.00 0.00 C ATOM 384 NZ LYS A 49 4.611 1.705 -4.198 1.00 0.00 N ATOM 0 H LYS A 49 7.592 4.554 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 49 7.015 2.024 -2.576 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.757 4.204 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.742 2.757 -2.982 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.749 3.310 -5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.495 1.671 -4.718 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.359 3.505 -3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.501 3.452 -5.570 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.007 1.147 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.535 0.842 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.286 0.808 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.570 2.453 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.997 1.961 -4.997 1.00 0.00 H new ATOM 394 N PRO A 50 9.339 2.060 -0.213 1.00 0.00 N ATOM 395 CA PRO A 50 10.058 1.209 0.720 1.00 0.00 C ATOM 396 C PRO A 50 9.129 0.689 1.818 1.00 0.00 C ATOM 397 O PRO A 50 9.359 -0.383 2.375 1.00 0.00 O ATOM 398 CB PRO A 50 11.184 2.078 1.257 1.00 0.00 C ATOM 399 CG PRO A 50 10.780 3.513 0.963 1.00 0.00 C ATOM 400 CD PRO A 50 9.630 3.479 -0.031 1.00 0.00 C ATOM 0 HA PRO A 50 10.456 0.310 0.248 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.321 1.922 2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 50 12.130 1.832 0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.478 4.020 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.622 4.070 0.553 1.00 0.00 H new ATOM 0 HD2 PRO A 50 8.761 4.016 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 50 9.907 3.950 -0.974 1.00 0.00 H new ATOM 405 N TRP A 51 8.097 1.473 2.096 1.00 0.00 N ATOM 406 CA TRP A 51 7.132 1.106 3.118 1.00 0.00 C ATOM 407 C TRP A 51 6.251 -0.013 2.556 1.00 0.00 C ATOM 408 O TRP A 51 5.939 -0.972 3.258 1.00 0.00 O ATOM 409 CB TRP A 51 6.328 2.325 3.577 1.00 0.00 C ATOM 410 CG TRP A 51 5.397 2.047 4.759 1.00 0.00 C ATOM 411 CD1 TRP A 51 5.571 2.386 6.044 1.00 0.00 C ATOM 412 CD2 TRP A 51 4.132 1.355 4.713 1.00 0.00 C ATOM 413 NE1 TRP A 51 4.515 1.965 6.825 1.00 0.00 N ATOM 414 CE2 TRP A 51 3.612 1.318 5.991 1.00 0.00 C ATOM 415 CE3 TRP A 51 3.449 0.779 3.627 1.00 0.00 C ATOM 416 CZ2 TRP A 51 2.387 0.716 6.303 1.00 0.00 C ATOM 417 CZ3 TRP A 51 2.226 0.181 3.956 1.00 0.00 C ATOM 418 CH2 TRP A 51 1.689 0.136 5.237 1.00 0.00 C ATOM 0 H TRP A 51 7.909 2.361 1.631 1.00 0.00 H new ATOM 0 HA TRP A 51 7.637 0.738 4.011 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.020 3.121 3.852 1.00 0.00 H new ATOM 0 HB3 TRP A 51 5.735 2.693 2.739 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.430 2.921 6.421 1.00 0.00 H new ATOM 0 HE1 TRP A 51 4.415 2.103 7.831 1.00 0.00 H new ATOM 0 HE3 TRP A 51 3.837 0.796 2.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 2.001 0.700 7.312 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.661 -0.277 3.158 1.00 0.00 H new ATOM 0 HH2 TRP A 51 0.737 -0.344 5.409 1.00 0.00 H new ATOM 428 N ILE A 52 5.878 0.148 1.295 1.00 0.00 N ATOM 429 CA ILE A 52 5.041 -0.836 0.631 1.00 0.00 C ATOM 430 C ILE A 52 5.879 -2.074 0.304 1.00 0.00 C ATOM 431 O ILE A 52 5.503 -3.192 0.653 1.00 0.00 O ATOM 432 CB ILE A 52 4.354 -0.219 -0.588 1.00 0.00 C ATOM 433 CG1 ILE A 52 3.032 0.444 -0.196 1.00 0.00 C ATOM 434 CG2 ILE A 52 4.166 -1.259 -1.697 1.00 0.00 C ATOM 435 CD1 ILE A 52 2.938 1.860 -0.767 1.00 0.00 C ATOM 0 H ILE A 52 6.140 0.945 0.716 1.00 0.00 H new ATOM 0 HA ILE A 52 4.237 -1.160 1.291 1.00 0.00 H new ATOM 0 HB ILE A 52 5.002 0.563 -0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.198 -0.155 -0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.947 0.480 0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.675 -0.794 -2.552 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.138 -1.645 -2.002 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.550 -2.079 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.989 2.308 -0.474 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.759 2.463 -0.380 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.999 1.819 -1.855 1.00 0.00 H new ATOM 446 N THR A 53 6.998 -1.833 -0.361 1.00 0.00 N ATOM 447 CA THR A 53 7.892 -2.915 -0.740 1.00 0.00 C ATOM 448 C THR A 53 8.320 -3.709 0.497 1.00 0.00 C ATOM 449 O THR A 53 8.395 -4.936 0.456 1.00 0.00 O ATOM 450 CB THR A 53 9.067 -2.310 -1.510 1.00 0.00 C ATOM 451 OG1 THR A 53 8.453 -1.626 -2.599 1.00 0.00 O ATOM 452 CG2 THR A 53 9.937 -3.374 -2.181 1.00 0.00 C ATOM 0 H THR A 53 7.307 -0.904 -0.648 1.00 0.00 H new ATOM 0 HA THR A 53 7.393 -3.632 -1.392 1.00 0.00 H new ATOM 0 HB THR A 53 9.679 -1.716 -0.831 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.498 -0.659 -2.445 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.756 -2.891 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.342 -4.044 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.333 -3.946 -2.885 1.00 0.00 H new ATOM 460 N LYS A 54 8.591 -2.976 1.567 1.00 0.00 N ATOM 461 CA LYS A 54 9.011 -3.597 2.813 1.00 0.00 C ATOM 462 C LYS A 54 7.816 -4.309 3.448 1.00 0.00 C ATOM 463 O LYS A 54 7.955 -5.412 3.976 1.00 0.00 O ATOM 464 CB LYS A 54 9.671 -2.565 3.729 1.00 0.00 C ATOM 465 CG LYS A 54 10.216 -3.227 4.997 1.00 0.00 C ATOM 466 CD LYS A 54 10.039 -2.313 6.211 1.00 0.00 C ATOM 467 CE LYS A 54 11.038 -2.670 7.314 1.00 0.00 C ATOM 468 NZ LYS A 54 10.385 -2.615 8.642 1.00 0.00 N ATOM 0 H LYS A 54 8.528 -1.958 1.597 1.00 0.00 H new ATOM 0 HA LYS A 54 9.772 -4.355 2.626 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.482 -2.067 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.947 -1.796 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.699 -4.171 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.272 -3.461 4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.177 -1.274 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.022 -2.402 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.439 -3.669 7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.881 -1.979 7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.112 -2.606 9.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.809 -1.752 8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.775 -3.448 8.764 1.00 0.00 H new ATOM 478 N ARG A 55 6.668 -3.651 3.378 1.00 0.00 N ATOM 479 CA ARG A 55 5.451 -4.209 3.941 1.00 0.00 C ATOM 480 C ARG A 55 5.099 -5.526 3.246 1.00 0.00 C ATOM 481 O ARG A 55 4.852 -6.534 3.906 1.00 0.00 O ATOM 482 CB ARG A 55 4.279 -3.235 3.795 1.00 0.00 C ATOM 483 CG ARG A 55 4.112 -2.387 5.058 1.00 0.00 C ATOM 484 CD ARG A 55 3.755 -3.260 6.262 1.00 0.00 C ATOM 485 NE ARG A 55 4.511 -2.814 7.454 1.00 0.00 N ATOM 486 CZ ARG A 55 4.784 -3.595 8.507 1.00 0.00 C ATOM 487 NH1 ARG A 55 4.363 -4.867 8.524 1.00 0.00 N ATOM 488 NH2 ARG A 55 5.476 -3.104 9.544 1.00 0.00 N ATOM 0 H ARG A 55 6.555 -2.737 2.940 1.00 0.00 H new ATOM 0 HA ARG A 55 5.629 -4.390 5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.446 -2.586 2.936 1.00 0.00 H new ATOM 0 HB3 ARG A 55 3.361 -3.791 3.601 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.035 -1.843 5.260 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.331 -1.643 4.900 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.684 -3.203 6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 55 3.984 -4.303 6.046 1.00 0.00 H new ATOM 0 HE ARG A 55 4.845 -1.851 7.475 1.00 0.00 H new ATOM 0 HH11 ARG A 55 3.835 -5.240 7.735 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.571 -5.462 9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.795 -2.135 9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.684 -3.699 10.346 1.00 0.00 H new ATOM 499 N VAL A 56 5.086 -5.474 1.923 1.00 0.00 N ATOM 500 CA VAL A 56 4.768 -6.650 1.131 1.00 0.00 C ATOM 501 C VAL A 56 5.795 -7.746 1.419 1.00 0.00 C ATOM 502 O VAL A 56 5.432 -8.904 1.623 1.00 0.00 O ATOM 503 CB VAL A 56 4.691 -6.278 -0.352 1.00 0.00 C ATOM 504 CG1 VAL A 56 3.620 -5.212 -0.595 1.00 0.00 C ATOM 505 CG2 VAL A 56 6.053 -5.815 -0.873 1.00 0.00 C ATOM 0 H VAL A 56 5.291 -4.636 1.379 1.00 0.00 H new ATOM 0 HA VAL A 56 3.788 -7.041 1.405 1.00 0.00 H new ATOM 0 HB VAL A 56 4.406 -7.172 -0.907 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.586 -4.966 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.649 -5.593 -0.280 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.861 -4.317 -0.022 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.970 -5.557 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.380 -4.941 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.781 -6.617 -0.752 1.00 0.00 H new ATOM 515 N THR A 57 7.057 -7.343 1.426 1.00 0.00 N ATOM 516 CA THR A 57 8.140 -8.277 1.686 1.00 0.00 C ATOM 517 C THR A 57 7.996 -8.884 3.083 1.00 0.00 C ATOM 518 O THR A 57 8.256 -10.071 3.278 1.00 0.00 O ATOM 519 CB THR A 57 9.463 -7.537 1.479 1.00 0.00 C ATOM 520 OG1 THR A 57 9.445 -7.174 0.101 1.00 0.00 O ATOM 521 CG2 THR A 57 10.676 -8.461 1.605 1.00 0.00 C ATOM 0 H THR A 57 7.354 -6.382 1.256 1.00 0.00 H new ATOM 0 HA THR A 57 8.111 -9.119 0.995 1.00 0.00 H new ATOM 0 HB THR A 57 9.545 -6.729 2.206 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.425 -6.198 0.020 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.589 -7.886 1.449 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.692 -8.906 2.600 1.00 0.00 H new ATOM 0 HG23 THR A 57 10.612 -9.250 0.856 1.00 0.00 H new ATOM 529 N GLU A 58 7.584 -8.043 4.020 1.00 0.00 N ATOM 530 CA GLU A 58 7.403 -8.483 5.393 1.00 0.00 C ATOM 531 C GLU A 58 6.133 -9.329 5.516 1.00 0.00 C ATOM 532 O GLU A 58 6.060 -10.225 6.356 1.00 0.00 O ATOM 533 CB GLU A 58 7.360 -7.289 6.349 1.00 0.00 C ATOM 534 CG GLU A 58 8.772 -6.852 6.742 1.00 0.00 C ATOM 535 CD GLU A 58 8.838 -6.474 8.224 1.00 0.00 C ATOM 536 OE1 GLU A 58 9.076 -7.395 9.034 1.00 0.00 O ATOM 537 OE2 GLU A 58 8.647 -5.272 8.512 1.00 0.00 O ATOM 0 H GLU A 58 7.370 -7.059 3.856 1.00 0.00 H new ATOM 0 HA GLU A 58 8.257 -9.101 5.672 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.837 -6.458 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.795 -7.554 7.243 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.476 -7.658 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.076 -6.001 6.132 1.00 0.00 H new ATOM 542 N ILE A 59 5.166 -9.015 4.667 1.00 0.00 N ATOM 543 CA ILE A 59 3.905 -9.736 4.670 1.00 0.00 C ATOM 544 C ILE A 59 4.172 -11.224 4.436 1.00 0.00 C ATOM 545 O ILE A 59 3.638 -12.074 5.148 1.00 0.00 O ATOM 546 CB ILE A 59 2.933 -9.119 3.663 1.00 0.00 C ATOM 547 CG1 ILE A 59 2.339 -7.815 4.201 1.00 0.00 C ATOM 548 CG2 ILE A 59 1.847 -10.121 3.263 1.00 0.00 C ATOM 549 CD1 ILE A 59 1.943 -6.880 3.056 1.00 0.00 C ATOM 0 H ILE A 59 5.230 -8.271 3.972 1.00 0.00 H new ATOM 0 HA ILE A 59 3.419 -9.649 5.642 1.00 0.00 H new ATOM 0 HB ILE A 59 3.490 -8.870 2.760 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.465 -8.035 4.815 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.065 -7.319 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.170 -9.657 2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.310 -10.997 2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.287 -10.423 4.148 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.524 -5.961 3.465 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.823 -6.643 2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.199 -7.370 2.427 1.00 0.00 H new ATOM 560 N LEU A 60 4.996 -11.494 3.435 1.00 0.00 N ATOM 561 CA LEU A 60 5.340 -12.864 3.098 1.00 0.00 C ATOM 562 C LEU A 60 6.712 -13.201 3.686 1.00 0.00 C ATOM 563 O LEU A 60 6.887 -14.251 4.302 1.00 0.00 O ATOM 564 CB LEU A 60 5.248 -13.084 1.587 1.00 0.00 C ATOM 565 CG LEU A 60 4.915 -11.848 0.748 1.00 0.00 C ATOM 566 CD1 LEU A 60 6.185 -11.084 0.370 1.00 0.00 C ATOM 567 CD2 LEU A 60 4.086 -12.226 -0.481 1.00 0.00 C ATOM 0 H LEU A 60 5.436 -10.787 2.846 1.00 0.00 H new ATOM 0 HA LEU A 60 4.624 -13.556 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.199 -13.489 1.240 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.490 -13.843 1.396 1.00 0.00 H new ATOM 0 HG LEU A 60 4.305 -11.178 1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.920 -10.210 -0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.700 -10.763 1.276 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.841 -11.733 -0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.863 -11.329 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.649 -12.926 -1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.154 -12.693 -0.162 1.00 0.00 H new ATOM 578 N GLY A 61 7.651 -12.290 3.475 1.00 0.00 N ATOM 579 CA GLY A 61 9.002 -12.477 3.975 1.00 0.00 C ATOM 580 C GLY A 61 10.029 -12.338 2.850 1.00 0.00 C ATOM 581 O GLY A 61 11.229 -12.268 3.104 1.00 0.00 O ATOM 0 H GLY A 61 7.502 -11.420 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.210 -11.743 4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.091 -13.462 4.433 1.00 0.00 H new ATOM 585 N PHE A 62 9.518 -12.303 1.627 1.00 0.00 N ATOM 586 CA PHE A 62 10.375 -12.174 0.461 1.00 0.00 C ATOM 587 C PHE A 62 9.938 -10.998 -0.413 1.00 0.00 C ATOM 588 O PHE A 62 8.767 -10.622 -0.415 1.00 0.00 O ATOM 589 CB PHE A 62 10.235 -13.469 -0.342 1.00 0.00 C ATOM 590 CG PHE A 62 8.796 -13.975 -0.464 1.00 0.00 C ATOM 591 CD1 PHE A 62 7.964 -13.437 -1.394 1.00 0.00 C ATOM 592 CD2 PHE A 62 8.350 -14.962 0.358 1.00 0.00 C ATOM 593 CE1 PHE A 62 6.627 -13.905 -1.508 1.00 0.00 C ATOM 594 CE2 PHE A 62 7.014 -15.431 0.245 1.00 0.00 C ATOM 595 CZ PHE A 62 6.181 -14.892 -0.686 1.00 0.00 C ATOM 0 H PHE A 62 8.521 -12.362 1.419 1.00 0.00 H new ATOM 0 HA PHE A 62 11.404 -11.997 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.639 -13.310 -1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.842 -14.243 0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.319 -12.653 -2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 62 9.012 -15.389 1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 62 5.966 -13.477 -2.247 1.00 0.00 H new ATOM 0 HE2 PHE A 62 6.660 -16.215 0.898 1.00 0.00 H new ATOM 0 HZ PHE A 62 5.165 -15.248 -0.772 1.00 0.00 H new ATOM 604 N GLU A 63 10.904 -10.448 -1.136 1.00 0.00 N ATOM 605 CA GLU A 63 10.634 -9.322 -2.012 1.00 0.00 C ATOM 606 C GLU A 63 9.824 -9.777 -3.228 1.00 0.00 C ATOM 607 O GLU A 63 10.336 -10.494 -4.086 1.00 0.00 O ATOM 608 CB GLU A 63 11.933 -8.639 -2.444 1.00 0.00 C ATOM 609 CG GLU A 63 11.693 -7.167 -2.781 1.00 0.00 C ATOM 610 CD GLU A 63 12.366 -6.252 -1.754 1.00 0.00 C ATOM 611 OE1 GLU A 63 12.184 -6.522 -0.548 1.00 0.00 O ATOM 612 OE2 GLU A 63 13.048 -5.303 -2.201 1.00 0.00 O ATOM 0 H GLU A 63 11.874 -10.762 -1.132 1.00 0.00 H new ATOM 0 HA GLU A 63 10.044 -8.591 -1.459 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.672 -8.717 -1.646 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.346 -9.152 -3.313 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.081 -6.950 -3.776 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.622 -6.966 -2.806 1.00 0.00 H new ATOM 617 N ASP A 64 8.573 -9.341 -3.263 1.00 0.00 N ATOM 618 CA ASP A 64 7.688 -9.696 -4.358 1.00 0.00 C ATOM 619 C ASP A 64 8.041 -8.853 -5.587 1.00 0.00 C ATOM 620 O ASP A 64 9.171 -8.386 -5.718 1.00 0.00 O ATOM 621 CB ASP A 64 6.227 -9.417 -3.999 1.00 0.00 C ATOM 622 CG ASP A 64 5.809 -9.868 -2.597 1.00 0.00 C ATOM 623 OD1 ASP A 64 6.042 -11.057 -2.291 1.00 0.00 O ATOM 624 OD2 ASP A 64 5.266 -9.013 -1.866 1.00 0.00 O ATOM 0 H ASP A 64 8.152 -8.745 -2.550 1.00 0.00 H new ATOM 0 HA ASP A 64 7.813 -10.760 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.044 -8.346 -4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.588 -9.913 -4.730 1.00 0.00 H new ATOM 628 N ASP A 65 7.054 -8.685 -6.453 1.00 0.00 N ATOM 629 CA ASP A 65 7.246 -7.907 -7.665 1.00 0.00 C ATOM 630 C ASP A 65 5.884 -7.600 -8.291 1.00 0.00 C ATOM 631 O ASP A 65 5.598 -6.454 -8.633 1.00 0.00 O ATOM 632 CB ASP A 65 8.073 -8.684 -8.692 1.00 0.00 C ATOM 633 CG ASP A 65 9.484 -8.140 -8.931 1.00 0.00 C ATOM 634 OD1 ASP A 65 9.879 -7.233 -8.166 1.00 0.00 O ATOM 635 OD2 ASP A 65 10.133 -8.642 -9.873 1.00 0.00 O ATOM 0 H ASP A 65 6.118 -9.074 -6.340 1.00 0.00 H new ATOM 0 HA ASP A 65 7.771 -6.990 -7.397 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.150 -9.721 -8.365 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.536 -8.688 -9.640 1.00 0.00 H new ATOM 639 N VAL A 66 5.079 -8.646 -8.422 1.00 0.00 N ATOM 640 CA VAL A 66 3.755 -8.501 -9.000 1.00 0.00 C ATOM 641 C VAL A 66 2.898 -7.618 -8.090 1.00 0.00 C ATOM 642 O VAL A 66 2.163 -6.755 -8.569 1.00 0.00 O ATOM 643 CB VAL A 66 3.138 -9.880 -9.246 1.00 0.00 C ATOM 644 CG1 VAL A 66 2.138 -10.238 -8.145 1.00 0.00 C ATOM 645 CG2 VAL A 66 2.483 -9.949 -10.626 1.00 0.00 C ATOM 0 H VAL A 66 5.319 -9.596 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 66 3.815 -8.007 -9.970 1.00 0.00 H new ATOM 0 HB VAL A 66 3.942 -10.616 -9.220 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.715 -11.222 -8.344 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.647 -10.250 -7.181 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.339 -9.497 -8.124 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.052 -10.939 -10.775 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.696 -9.197 -10.693 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.233 -9.760 -11.394 1.00 0.00 H new ATOM 655 N VAL A 67 3.023 -7.863 -6.794 1.00 0.00 N ATOM 656 CA VAL A 67 2.271 -7.100 -5.813 1.00 0.00 C ATOM 657 C VAL A 67 2.824 -5.674 -5.748 1.00 0.00 C ATOM 658 O VAL A 67 2.061 -4.711 -5.695 1.00 0.00 O ATOM 659 CB VAL A 67 2.298 -7.815 -4.461 1.00 0.00 C ATOM 660 CG1 VAL A 67 2.395 -9.330 -4.644 1.00 0.00 C ATOM 661 CG2 VAL A 67 3.442 -7.293 -3.588 1.00 0.00 C ATOM 0 H VAL A 67 3.634 -8.579 -6.401 1.00 0.00 H new ATOM 0 HA VAL A 67 1.224 -7.029 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 67 1.360 -7.599 -3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.413 -9.814 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.533 -9.684 -5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.309 -9.573 -5.186 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.439 -7.818 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 67 4.393 -7.464 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.310 -6.225 -3.416 1.00 0.00 H new ATOM 671 N ILE A 68 4.146 -5.586 -5.753 1.00 0.00 N ATOM 672 CA ILE A 68 4.809 -4.295 -5.694 1.00 0.00 C ATOM 673 C ILE A 68 4.425 -3.473 -6.926 1.00 0.00 C ATOM 674 O ILE A 68 4.048 -2.309 -6.806 1.00 0.00 O ATOM 675 CB ILE A 68 6.319 -4.476 -5.523 1.00 0.00 C ATOM 676 CG1 ILE A 68 6.638 -5.212 -4.219 1.00 0.00 C ATOM 677 CG2 ILE A 68 7.047 -3.134 -5.617 1.00 0.00 C ATOM 678 CD1 ILE A 68 7.954 -5.986 -4.335 1.00 0.00 C ATOM 0 H ILE A 68 4.775 -6.387 -5.797 1.00 0.00 H new ATOM 0 HA ILE A 68 4.476 -3.735 -4.820 1.00 0.00 H new ATOM 0 HB ILE A 68 6.684 -5.097 -6.341 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.704 -4.496 -3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.827 -5.900 -3.977 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.118 -3.292 -5.492 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.858 -2.685 -6.592 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.685 -2.468 -4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 68 8.158 -6.500 -3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.876 -6.717 -5.139 1.00 0.00 H new ATOM 0 HD13 ILE A 68 8.766 -5.292 -4.553 1.00 0.00 H new ATOM 689 N GLU A 69 4.534 -4.111 -8.082 1.00 0.00 N ATOM 690 CA GLU A 69 4.203 -3.453 -9.334 1.00 0.00 C ATOM 691 C GLU A 69 2.770 -2.918 -9.290 1.00 0.00 C ATOM 692 O GLU A 69 2.504 -1.807 -9.744 1.00 0.00 O ATOM 693 CB GLU A 69 4.399 -4.400 -10.520 1.00 0.00 C ATOM 694 CG GLU A 69 5.682 -4.065 -11.284 1.00 0.00 C ATOM 695 CD GLU A 69 5.445 -4.099 -12.794 1.00 0.00 C ATOM 696 OE1 GLU A 69 4.780 -5.058 -13.243 1.00 0.00 O ATOM 697 OE2 GLU A 69 5.935 -3.167 -13.467 1.00 0.00 O ATOM 0 H GLU A 69 4.847 -5.077 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 69 4.881 -2.610 -9.469 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.442 -5.430 -10.165 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.543 -4.330 -11.191 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.037 -3.077 -10.990 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.464 -4.777 -11.019 1.00 0.00 H new ATOM 702 N PHE A 70 1.885 -3.736 -8.740 1.00 0.00 N ATOM 703 CA PHE A 70 0.485 -3.360 -8.631 1.00 0.00 C ATOM 704 C PHE A 70 0.328 -2.055 -7.848 1.00 0.00 C ATOM 705 O PHE A 70 -0.401 -1.158 -8.269 1.00 0.00 O ATOM 706 CB PHE A 70 -0.223 -4.485 -7.872 1.00 0.00 C ATOM 707 CG PHE A 70 -0.868 -5.536 -8.777 1.00 0.00 C ATOM 708 CD1 PHE A 70 -1.689 -5.149 -9.790 1.00 0.00 C ATOM 709 CD2 PHE A 70 -0.622 -6.857 -8.568 1.00 0.00 C ATOM 710 CE1 PHE A 70 -2.288 -6.125 -10.630 1.00 0.00 C ATOM 711 CE2 PHE A 70 -1.221 -7.832 -9.409 1.00 0.00 C ATOM 712 CZ PHE A 70 -2.041 -7.446 -10.421 1.00 0.00 C ATOM 0 H PHE A 70 2.110 -4.658 -8.365 1.00 0.00 H new ATOM 0 HA PHE A 70 0.061 -3.210 -9.624 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.497 -4.977 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.991 -4.050 -7.232 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -1.885 -4.100 -9.956 1.00 0.00 H new ATOM 0 HD2 PHE A 70 0.029 -7.165 -7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.940 -5.818 -11.435 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.025 -8.881 -9.244 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.497 -8.188 -11.060 1.00 0.00 H new ATOM 721 N ILE A 71 1.024 -1.990 -6.723 1.00 0.00 N ATOM 722 CA ILE A 71 0.971 -0.810 -5.877 1.00 0.00 C ATOM 723 C ILE A 71 1.726 0.335 -6.557 1.00 0.00 C ATOM 724 O ILE A 71 1.247 1.467 -6.590 1.00 0.00 O ATOM 725 CB ILE A 71 1.482 -1.134 -4.472 1.00 0.00 C ATOM 726 CG1 ILE A 71 0.675 -2.271 -3.844 1.00 0.00 C ATOM 727 CG2 ILE A 71 1.491 0.117 -3.589 1.00 0.00 C ATOM 728 CD1 ILE A 71 1.584 -3.439 -3.456 1.00 0.00 C ATOM 0 H ILE A 71 1.628 -2.736 -6.377 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.060 -0.481 -5.748 1.00 0.00 H new ATOM 0 HB ILE A 71 2.513 -1.478 -4.555 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.150 -1.905 -2.961 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.084 -2.614 -4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.858 -0.141 -2.596 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.142 0.870 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.479 0.514 -3.510 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.985 -4.234 -3.012 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.089 -3.818 -4.345 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.327 -3.098 -2.735 1.00 0.00 H new ATOM 739 N PHE A 72 2.894 -0.001 -7.084 1.00 0.00 N ATOM 740 CA PHE A 72 3.721 0.983 -7.761 1.00 0.00 C ATOM 741 C PHE A 72 3.008 1.542 -8.994 1.00 0.00 C ATOM 742 O PHE A 72 2.941 2.757 -9.180 1.00 0.00 O ATOM 743 CB PHE A 72 4.997 0.267 -8.206 1.00 0.00 C ATOM 744 CG PHE A 72 6.273 1.085 -8.003 1.00 0.00 C ATOM 745 CD1 PHE A 72 6.241 2.439 -8.133 1.00 0.00 C ATOM 746 CD2 PHE A 72 7.441 0.460 -7.693 1.00 0.00 C ATOM 747 CE1 PHE A 72 7.426 3.199 -7.945 1.00 0.00 C ATOM 748 CE2 PHE A 72 8.625 1.219 -7.506 1.00 0.00 C ATOM 749 CZ PHE A 72 8.593 2.572 -7.635 1.00 0.00 C ATOM 0 H PHE A 72 3.287 -0.942 -7.056 1.00 0.00 H new ATOM 0 HA PHE A 72 3.935 1.814 -7.089 1.00 0.00 H new ATOM 0 HB2 PHE A 72 5.087 -0.669 -7.655 1.00 0.00 H new ATOM 0 HB3 PHE A 72 4.907 0.009 -9.261 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.314 2.936 -8.379 1.00 0.00 H new ATOM 0 HD2 PHE A 72 7.467 -0.615 -7.589 1.00 0.00 H new ATOM 0 HE1 PHE A 72 7.401 4.274 -8.048 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.552 0.722 -7.261 1.00 0.00 H new ATOM 0 HZ PHE A 72 9.494 3.149 -7.491 1.00 0.00 H new ATOM 758 N ASN A 73 2.492 0.630 -9.805 1.00 0.00 N ATOM 759 CA ASN A 73 1.786 1.017 -11.015 1.00 0.00 C ATOM 760 C ASN A 73 0.528 1.800 -10.637 1.00 0.00 C ATOM 761 O ASN A 73 0.174 2.772 -11.304 1.00 0.00 O ATOM 762 CB ASN A 73 1.355 -0.213 -11.817 1.00 0.00 C ATOM 763 CG ASN A 73 2.508 -0.741 -12.673 1.00 0.00 C ATOM 764 OD1 ASN A 73 2.528 -0.606 -13.885 1.00 0.00 O ATOM 765 ND2 ASN A 73 3.465 -1.348 -11.977 1.00 0.00 N ATOM 0 H ASN A 73 2.549 -0.376 -9.648 1.00 0.00 H new ATOM 0 HA ASN A 73 2.459 1.624 -11.620 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.015 -0.994 -11.137 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.510 0.043 -12.456 1.00 0.00 H new ATOM 0 HD21 ASN A 73 4.278 -1.734 -12.457 1.00 0.00 H new ATOM 0 HD22 ASN A 73 3.386 -1.427 -10.963 1.00 0.00 H new ATOM 771 N GLN A 74 -0.114 1.350 -9.570 1.00 0.00 N ATOM 772 CA GLN A 74 -1.325 1.996 -9.096 1.00 0.00 C ATOM 773 C GLN A 74 -0.991 3.345 -8.454 1.00 0.00 C ATOM 774 O GLN A 74 -1.715 4.322 -8.640 1.00 0.00 O ATOM 775 CB GLN A 74 -2.081 1.096 -8.117 1.00 0.00 C ATOM 776 CG GLN A 74 -2.929 0.064 -8.863 1.00 0.00 C ATOM 777 CD GLN A 74 -2.186 -0.475 -10.087 1.00 0.00 C ATOM 778 OE1 GLN A 74 -1.824 0.252 -10.997 1.00 0.00 O ATOM 779 NE2 GLN A 74 -1.977 -1.788 -10.058 1.00 0.00 N ATOM 0 H GLN A 74 0.182 0.544 -9.019 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.976 2.173 -9.952 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.372 0.586 -7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.721 1.705 -7.478 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.179 -0.759 -8.193 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.870 0.518 -9.175 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.306 -2.339 -9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.487 -2.244 -10.828 1.00 0.00 H new ATOM 786 N LEU A 75 0.106 3.354 -7.712 1.00 0.00 N ATOM 787 CA LEU A 75 0.546 4.567 -7.041 1.00 0.00 C ATOM 788 C LEU A 75 1.231 5.485 -8.055 1.00 0.00 C ATOM 789 O LEU A 75 1.564 6.626 -7.738 1.00 0.00 O ATOM 790 CB LEU A 75 1.419 4.224 -5.833 1.00 0.00 C ATOM 791 CG LEU A 75 0.701 3.567 -4.652 1.00 0.00 C ATOM 792 CD1 LEU A 75 1.668 3.320 -3.491 1.00 0.00 C ATOM 793 CD2 LEU A 75 -0.514 4.390 -4.221 1.00 0.00 C ATOM 0 H LEU A 75 0.704 2.542 -7.560 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.308 5.114 -6.642 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.217 3.559 -6.163 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.893 5.140 -5.480 1.00 0.00 H new ATOM 0 HG LEU A 75 0.331 2.594 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.133 2.852 -2.665 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.472 2.662 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.089 4.269 -3.160 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.005 3.900 -3.380 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.191 5.387 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.213 4.470 -5.053 1.00 0.00 H new ATOM 804 N GLU A 76 1.423 4.952 -9.253 1.00 0.00 N ATOM 805 CA GLU A 76 2.063 5.709 -10.315 1.00 0.00 C ATOM 806 C GLU A 76 1.069 6.689 -10.942 1.00 0.00 C ATOM 807 O GLU A 76 1.432 7.470 -11.821 1.00 0.00 O ATOM 808 CB GLU A 76 2.656 4.777 -11.372 1.00 0.00 C ATOM 809 CG GLU A 76 4.104 4.415 -11.036 1.00 0.00 C ATOM 810 CD GLU A 76 5.047 4.811 -12.174 1.00 0.00 C ATOM 811 OE1 GLU A 76 4.652 4.594 -13.339 1.00 0.00 O ATOM 812 OE2 GLU A 76 6.141 5.323 -11.852 1.00 0.00 O ATOM 0 H GLU A 76 1.146 4.005 -9.511 1.00 0.00 H new ATOM 0 HA GLU A 76 2.883 6.282 -9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.057 3.869 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.615 5.258 -12.349 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.405 4.919 -10.118 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.181 3.344 -10.851 1.00 0.00 H new ATOM 817 N VAL A 77 -0.165 6.615 -10.466 1.00 0.00 N ATOM 818 CA VAL A 77 -1.215 7.485 -10.970 1.00 0.00 C ATOM 819 C VAL A 77 -1.525 8.560 -9.926 1.00 0.00 C ATOM 820 O VAL A 77 -0.821 8.679 -8.925 1.00 0.00 O ATOM 821 CB VAL A 77 -2.441 6.656 -11.357 1.00 0.00 C ATOM 822 CG1 VAL A 77 -2.036 5.422 -12.166 1.00 0.00 C ATOM 823 CG2 VAL A 77 -3.249 6.260 -10.120 1.00 0.00 C ATOM 0 H VAL A 77 -0.462 5.966 -9.737 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.886 7.996 -11.875 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.078 7.276 -11.988 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.926 4.850 -12.428 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.525 5.735 -13.076 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.368 4.800 -11.571 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.115 5.672 -10.424 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.624 5.668 -9.452 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.585 7.158 -9.602 1.00 0.00 H new ATOM 833 N LYS A 78 -2.581 9.314 -10.195 1.00 0.00 N ATOM 834 CA LYS A 78 -2.993 10.374 -9.291 1.00 0.00 C ATOM 835 C LYS A 78 -4.141 9.872 -8.413 1.00 0.00 C ATOM 836 O LYS A 78 -4.394 10.422 -7.342 1.00 0.00 O ATOM 837 CB LYS A 78 -3.328 11.645 -10.074 1.00 0.00 C ATOM 838 CG LYS A 78 -2.119 12.129 -10.877 1.00 0.00 C ATOM 839 CD LYS A 78 -2.114 11.520 -12.281 1.00 0.00 C ATOM 840 CE LYS A 78 -0.684 11.315 -12.784 1.00 0.00 C ATOM 841 NZ LYS A 78 -0.599 11.594 -14.235 1.00 0.00 N ATOM 0 H LYS A 78 -3.163 9.212 -11.026 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.175 10.645 -8.623 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.163 11.452 -10.748 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.648 12.427 -9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.137 13.217 -10.948 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.200 11.859 -10.356 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.640 10.565 -12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.654 12.173 -12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.004 11.971 -12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.366 10.292 -12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.379 11.450 -14.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.233 10.950 -14.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.882 12.578 -14.416 1.00 0.00 H new ATOM 851 N ASN A 79 -4.805 8.834 -8.899 1.00 0.00 N ATOM 852 CA ASN A 79 -5.919 8.251 -8.171 1.00 0.00 C ATOM 853 C ASN A 79 -5.847 6.726 -8.270 1.00 0.00 C ATOM 854 O ASN A 79 -6.410 6.133 -9.191 1.00 0.00 O ATOM 855 CB ASN A 79 -7.258 8.700 -8.762 1.00 0.00 C ATOM 856 CG ASN A 79 -8.051 9.533 -7.752 1.00 0.00 C ATOM 857 OD1 ASN A 79 -9.061 9.109 -7.216 1.00 0.00 O ATOM 858 ND2 ASN A 79 -7.538 10.739 -7.525 1.00 0.00 N ATOM 0 H ASN A 79 -4.593 8.382 -9.788 1.00 0.00 H new ATOM 0 HA ASN A 79 -5.853 8.580 -7.134 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -7.083 9.286 -9.664 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -7.841 7.827 -9.056 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.994 11.372 -6.868 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.689 11.031 -8.008 1.00 0.00 H new ATOM 864 N PRO A 80 -5.131 6.119 -7.287 1.00 0.00 N ATOM 865 CA PRO A 80 -4.979 4.675 -7.255 1.00 0.00 C ATOM 866 C PRO A 80 -6.267 3.997 -6.783 1.00 0.00 C ATOM 867 O PRO A 80 -7.049 4.589 -6.041 1.00 0.00 O ATOM 868 CB PRO A 80 -3.803 4.424 -6.325 1.00 0.00 C ATOM 869 CG PRO A 80 -3.636 5.697 -5.511 1.00 0.00 C ATOM 870 CD PRO A 80 -4.452 6.789 -6.181 1.00 0.00 C ATOM 0 HA PRO A 80 -4.789 4.251 -8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -3.993 3.568 -5.677 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.898 4.201 -6.891 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.974 5.542 -4.486 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -2.585 5.982 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.167 7.231 -5.487 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.814 7.597 -6.539 1.00 0.00 H new ATOM 875 N ASP A 81 -6.448 2.764 -7.234 1.00 0.00 N ATOM 876 CA ASP A 81 -7.628 1.999 -6.868 1.00 0.00 C ATOM 877 C ASP A 81 -7.283 1.059 -5.711 1.00 0.00 C ATOM 878 O ASP A 81 -6.616 0.044 -5.910 1.00 0.00 O ATOM 879 CB ASP A 81 -8.118 1.147 -8.040 1.00 0.00 C ATOM 880 CG ASP A 81 -9.421 0.386 -7.787 1.00 0.00 C ATOM 881 OD1 ASP A 81 -9.962 0.544 -6.671 1.00 0.00 O ATOM 882 OD2 ASP A 81 -9.846 -0.335 -8.715 1.00 0.00 O ATOM 0 H ASP A 81 -5.797 2.276 -7.849 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.410 2.702 -6.582 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.255 1.793 -8.907 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.340 0.429 -8.298 1.00 0.00 H new ATOM 886 N SER A 82 -7.751 1.431 -4.528 1.00 0.00 N ATOM 887 CA SER A 82 -7.501 0.633 -3.340 1.00 0.00 C ATOM 888 C SER A 82 -8.134 -0.752 -3.496 1.00 0.00 C ATOM 889 O SER A 82 -7.585 -1.745 -3.021 1.00 0.00 O ATOM 890 CB SER A 82 -8.040 1.326 -2.087 1.00 0.00 C ATOM 891 OG SER A 82 -9.458 1.473 -2.128 1.00 0.00 O ATOM 0 H SER A 82 -8.302 2.274 -4.367 1.00 0.00 H new ATOM 0 HA SER A 82 -6.423 0.521 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.760 0.750 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.576 2.307 -1.987 1.00 0.00 H new ATOM 0 HG SER A 82 -9.727 2.211 -1.543 1.00 0.00 H new ATOM 896 N LYS A 83 -9.279 -0.772 -4.162 1.00 0.00 N ATOM 897 CA LYS A 83 -9.992 -2.017 -4.385 1.00 0.00 C ATOM 898 C LYS A 83 -9.087 -2.990 -5.144 1.00 0.00 C ATOM 899 O LYS A 83 -8.929 -4.140 -4.740 1.00 0.00 O ATOM 900 CB LYS A 83 -11.329 -1.752 -5.081 1.00 0.00 C ATOM 901 CG LYS A 83 -12.326 -1.098 -4.122 1.00 0.00 C ATOM 902 CD LYS A 83 -12.530 0.379 -4.468 1.00 0.00 C ATOM 903 CE LYS A 83 -12.979 1.172 -3.238 1.00 0.00 C ATOM 904 NZ LYS A 83 -14.223 1.920 -3.531 1.00 0.00 N ATOM 0 H LYS A 83 -9.730 0.054 -4.554 1.00 0.00 H new ATOM 0 HA LYS A 83 -10.241 -2.488 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.172 -1.106 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.740 -2.689 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.281 -1.622 -4.171 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.964 -1.189 -3.098 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.601 0.797 -4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -13.276 0.472 -5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.144 0.494 -2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.193 1.865 -2.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.515 2.453 -2.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.054 2.581 -4.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -14.975 1.252 -3.796 1.00 0.00 H new ATOM 914 N MET A 84 -8.515 -2.491 -6.230 1.00 0.00 N ATOM 915 CA MET A 84 -7.629 -3.301 -7.049 1.00 0.00 C ATOM 916 C MET A 84 -6.348 -3.651 -6.290 1.00 0.00 C ATOM 917 O MET A 84 -5.804 -4.742 -6.454 1.00 0.00 O ATOM 918 CB MET A 84 -7.273 -2.537 -8.326 1.00 0.00 C ATOM 919 CG MET A 84 -7.839 -3.239 -9.561 1.00 0.00 C ATOM 920 SD MET A 84 -6.745 -4.553 -10.072 1.00 0.00 S ATOM 921 CE MET A 84 -7.331 -5.871 -9.022 1.00 0.00 C ATOM 0 H MET A 84 -8.648 -1.536 -6.562 1.00 0.00 H new ATOM 0 HA MET A 84 -8.144 -4.228 -7.301 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.666 -1.522 -8.268 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.190 -2.455 -8.415 1.00 0.00 H new ATOM 0 HG2 MET A 84 -8.827 -3.643 -9.339 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.963 -2.522 -10.372 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.214 -6.825 -9.536 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.754 -5.884 -8.098 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.384 -5.711 -8.790 1.00 0.00 H new ATOM 929 N MET A 85 -5.904 -2.706 -5.474 1.00 0.00 N ATOM 930 CA MET A 85 -4.697 -2.900 -4.689 1.00 0.00 C ATOM 931 C MET A 85 -4.858 -4.073 -3.720 1.00 0.00 C ATOM 932 O MET A 85 -4.018 -4.971 -3.682 1.00 0.00 O ATOM 933 CB MET A 85 -4.388 -1.626 -3.902 1.00 0.00 C ATOM 934 CG MET A 85 -2.919 -1.227 -4.059 1.00 0.00 C ATOM 935 SD MET A 85 -2.666 0.426 -3.432 1.00 0.00 S ATOM 936 CE MET A 85 -3.092 1.376 -4.880 1.00 0.00 C ATOM 0 H MET A 85 -6.359 -1.803 -5.340 1.00 0.00 H new ATOM 0 HA MET A 85 -3.875 -3.124 -5.369 1.00 0.00 H new ATOM 0 HB2 MET A 85 -5.028 -0.815 -4.250 1.00 0.00 H new ATOM 0 HB3 MET A 85 -4.616 -1.782 -2.847 1.00 0.00 H new ATOM 0 HG2 MET A 85 -2.283 -1.930 -3.521 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.631 -1.275 -5.109 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.211 1.908 -5.239 1.00 0.00 H new ATOM 0 HE2 MET A 85 -3.455 0.707 -5.660 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.871 2.095 -4.627 1.00 0.00 H new ATOM 944 N GLN A 86 -5.942 -4.027 -2.960 1.00 0.00 N ATOM 945 CA GLN A 86 -6.223 -5.075 -1.993 1.00 0.00 C ATOM 946 C GLN A 86 -6.545 -6.388 -2.712 1.00 0.00 C ATOM 947 O GLN A 86 -6.207 -7.465 -2.222 1.00 0.00 O ATOM 948 CB GLN A 86 -7.365 -4.668 -1.059 1.00 0.00 C ATOM 949 CG GLN A 86 -6.983 -4.896 0.404 1.00 0.00 C ATOM 950 CD GLN A 86 -8.208 -5.282 1.236 1.00 0.00 C ATOM 951 OE1 GLN A 86 -8.698 -4.522 2.056 1.00 0.00 O ATOM 952 NE2 GLN A 86 -8.674 -6.501 0.980 1.00 0.00 N ATOM 0 H GLN A 86 -6.636 -3.281 -2.994 1.00 0.00 H new ATOM 0 HA GLN A 86 -5.333 -5.226 -1.381 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -7.611 -3.618 -1.215 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -8.259 -5.244 -1.299 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.232 -5.683 0.469 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -6.533 -3.991 0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.216 -7.086 0.281 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -9.489 -6.851 1.483 1.00 0.00 H new ATOM 959 N ILE A 87 -7.192 -6.254 -3.859 1.00 0.00 N ATOM 960 CA ILE A 87 -7.563 -7.416 -4.649 1.00 0.00 C ATOM 961 C ILE A 87 -6.302 -8.048 -5.242 1.00 0.00 C ATOM 962 O ILE A 87 -6.200 -9.269 -5.335 1.00 0.00 O ATOM 963 CB ILE A 87 -8.613 -7.039 -5.696 1.00 0.00 C ATOM 964 CG1 ILE A 87 -10.021 -7.082 -5.101 1.00 0.00 C ATOM 965 CG2 ILE A 87 -8.488 -7.923 -6.940 1.00 0.00 C ATOM 966 CD1 ILE A 87 -10.864 -5.906 -5.599 1.00 0.00 C ATOM 0 H ILE A 87 -7.469 -5.359 -4.261 1.00 0.00 H new ATOM 0 HA ILE A 87 -8.032 -8.171 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 87 -8.429 -6.012 -6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -10.505 -8.021 -5.371 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.961 -7.056 -4.013 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -9.246 -7.635 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -7.497 -7.798 -7.377 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.632 -8.967 -6.661 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -11.860 -5.961 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -10.390 -4.969 -5.307 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -10.943 -5.949 -6.685 1.00 0.00 H new ATOM 977 N ASN A 88 -5.372 -7.186 -5.628 1.00 0.00 N ATOM 978 CA ASN A 88 -4.122 -7.644 -6.209 1.00 0.00 C ATOM 979 C ASN A 88 -3.255 -8.269 -5.115 1.00 0.00 C ATOM 980 O ASN A 88 -2.661 -9.328 -5.318 1.00 0.00 O ATOM 981 CB ASN A 88 -3.341 -6.480 -6.824 1.00 0.00 C ATOM 982 CG ASN A 88 -3.868 -6.143 -8.220 1.00 0.00 C ATOM 983 OD1 ASN A 88 -4.158 -7.010 -9.028 1.00 0.00 O ATOM 984 ND2 ASN A 88 -3.974 -4.839 -8.458 1.00 0.00 N ATOM 0 H ASN A 88 -5.460 -6.173 -5.549 1.00 0.00 H new ATOM 0 HA ASN A 88 -4.358 -8.371 -6.986 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -3.420 -5.604 -6.180 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -2.284 -6.738 -6.883 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -4.315 -4.512 -9.362 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -3.714 -4.166 -7.737 1.00 0.00 H new ATOM 990 N LEU A 89 -3.209 -7.590 -3.979 1.00 0.00 N ATOM 991 CA LEU A 89 -2.425 -8.065 -2.853 1.00 0.00 C ATOM 992 C LEU A 89 -2.929 -9.448 -2.433 1.00 0.00 C ATOM 993 O LEU A 89 -2.134 -10.356 -2.195 1.00 0.00 O ATOM 994 CB LEU A 89 -2.435 -7.037 -1.720 1.00 0.00 C ATOM 995 CG LEU A 89 -1.548 -5.808 -1.921 1.00 0.00 C ATOM 996 CD1 LEU A 89 -1.438 -4.994 -0.631 1.00 0.00 C ATOM 997 CD2 LEU A 89 -0.176 -6.205 -2.468 1.00 0.00 C ATOM 0 H LEU A 89 -3.703 -6.713 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.379 -8.179 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.461 -6.700 -1.572 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.127 -7.536 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.018 -5.166 -2.667 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.802 -4.126 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.430 -4.662 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.004 -5.613 0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.435 -5.312 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.315 -6.879 -1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.298 -6.708 -3.427 1.00 0.00 H new ATOM 1008 N THR A 90 -4.247 -9.564 -2.356 1.00 0.00 N ATOM 1009 CA THR A 90 -4.866 -10.820 -1.970 1.00 0.00 C ATOM 1010 C THR A 90 -4.451 -11.936 -2.931 1.00 0.00 C ATOM 1011 O THR A 90 -4.507 -13.114 -2.579 1.00 0.00 O ATOM 1012 CB THR A 90 -6.378 -10.602 -1.909 1.00 0.00 C ATOM 1013 OG1 THR A 90 -6.535 -9.494 -1.027 1.00 0.00 O ATOM 1014 CG2 THR A 90 -7.107 -11.746 -1.203 1.00 0.00 C ATOM 0 H THR A 90 -4.903 -8.808 -2.554 1.00 0.00 H new ATOM 0 HA THR A 90 -4.529 -11.141 -0.984 1.00 0.00 H new ATOM 0 HB THR A 90 -6.769 -10.492 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 90 -6.748 -8.690 -1.546 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.177 -11.541 -1.187 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.924 -12.678 -1.737 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.740 -11.835 -0.181 1.00 0.00 H new ATOM 1022 N GLY A 91 -4.043 -11.527 -4.122 1.00 0.00 N ATOM 1023 CA GLY A 91 -3.618 -12.478 -5.135 1.00 0.00 C ATOM 1024 C GLY A 91 -2.268 -13.098 -4.774 1.00 0.00 C ATOM 1025 O GLY A 91 -1.879 -14.121 -5.337 1.00 0.00 O ATOM 0 H GLY A 91 -3.997 -10.549 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.367 -13.263 -5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.546 -11.978 -6.101 1.00 0.00 H new ATOM 1029 N PHE A 92 -1.589 -12.455 -3.836 1.00 0.00 N ATOM 1030 CA PHE A 92 -0.290 -12.930 -3.392 1.00 0.00 C ATOM 1031 C PHE A 92 -0.277 -13.159 -1.879 1.00 0.00 C ATOM 1032 O PHE A 92 0.165 -14.207 -1.410 1.00 0.00 O ATOM 1033 CB PHE A 92 0.728 -11.842 -3.740 1.00 0.00 C ATOM 1034 CG PHE A 92 1.734 -12.252 -4.816 1.00 0.00 C ATOM 1035 CD1 PHE A 92 1.295 -12.663 -6.037 1.00 0.00 C ATOM 1036 CD2 PHE A 92 3.068 -12.207 -4.554 1.00 0.00 C ATOM 1037 CE1 PHE A 92 2.230 -13.044 -7.036 1.00 0.00 C ATOM 1038 CE2 PHE A 92 4.002 -12.588 -5.553 1.00 0.00 C ATOM 1039 CZ PHE A 92 3.563 -12.998 -6.773 1.00 0.00 C ATOM 0 H PHE A 92 -1.915 -11.608 -3.371 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.055 -13.877 -3.878 1.00 0.00 H new ATOM 0 HB2 PHE A 92 0.194 -10.953 -4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 92 1.271 -11.565 -2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 92 0.236 -12.699 -6.246 1.00 0.00 H new ATOM 0 HD2 PHE A 92 3.417 -11.881 -3.585 1.00 0.00 H new ATOM 0 HE1 PHE A 92 1.882 -13.370 -8.005 1.00 0.00 H new ATOM 0 HE2 PHE A 92 5.061 -12.552 -5.344 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.274 -13.287 -7.533 1.00 0.00 H new ATOM 1048 N LEU A 93 -0.766 -12.161 -1.158 1.00 0.00 N ATOM 1049 CA LEU A 93 -0.817 -12.240 0.292 1.00 0.00 C ATOM 1050 C LEU A 93 -1.777 -13.358 0.704 1.00 0.00 C ATOM 1051 O LEU A 93 -2.148 -14.197 -0.116 1.00 0.00 O ATOM 1052 CB LEU A 93 -1.167 -10.877 0.891 1.00 0.00 C ATOM 1053 CG LEU A 93 -0.470 -9.669 0.263 1.00 0.00 C ATOM 1054 CD1 LEU A 93 -0.545 -8.451 1.185 1.00 0.00 C ATOM 1055 CD2 LEU A 93 0.972 -10.008 -0.123 1.00 0.00 C ATOM 0 H LEU A 93 -1.131 -11.293 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 93 0.163 -12.496 0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.244 -10.733 0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.927 -10.897 1.954 1.00 0.00 H new ATOM 0 HG LEU A 93 -0.997 -9.410 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.042 -7.607 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.589 -8.196 1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.058 -8.681 2.132 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.445 -9.132 -0.567 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.526 -10.308 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.973 -10.826 -0.844 1.00 0.00 H new ATOM 1066 N ASN A 94 -2.153 -13.334 1.975 1.00 0.00 N ATOM 1067 CA ASN A 94 -3.062 -14.334 2.506 1.00 0.00 C ATOM 1068 C ASN A 94 -4.496 -13.806 2.429 1.00 0.00 C ATOM 1069 O ASN A 94 -5.450 -14.562 2.604 1.00 0.00 O ATOM 1070 CB ASN A 94 -2.749 -14.641 3.971 1.00 0.00 C ATOM 1071 CG ASN A 94 -1.466 -15.466 4.097 1.00 0.00 C ATOM 1072 OD1 ASN A 94 -1.466 -16.681 3.992 1.00 0.00 O ATOM 1073 ND2 ASN A 94 -0.376 -14.739 4.326 1.00 0.00 N ATOM 0 H ASN A 94 -1.844 -12.637 2.652 1.00 0.00 H new ATOM 0 HA ASN A 94 -2.946 -15.242 1.915 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -2.642 -13.709 4.527 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -3.581 -15.185 4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 94 0.530 -15.196 4.425 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -0.447 -13.724 4.403 1.00 0.00 H new ATOM 1079 N GLY A 95 -4.602 -12.512 2.168 1.00 0.00 N ATOM 1080 CA GLY A 95 -5.904 -11.873 2.067 1.00 0.00 C ATOM 1081 C GLY A 95 -6.128 -10.899 3.224 1.00 0.00 C ATOM 1082 O GLY A 95 -6.380 -9.715 3.005 1.00 0.00 O ATOM 0 H GLY A 95 -3.808 -11.888 2.023 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -5.979 -11.340 1.119 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.687 -12.632 2.069 1.00 0.00 H new ATOM 1086 N LYS A 96 -6.028 -11.432 4.433 1.00 0.00 N ATOM 1087 CA LYS A 96 -6.217 -10.625 5.627 1.00 0.00 C ATOM 1088 C LYS A 96 -5.113 -9.568 5.701 1.00 0.00 C ATOM 1089 O LYS A 96 -5.357 -8.440 6.128 1.00 0.00 O ATOM 1090 CB LYS A 96 -6.302 -11.515 6.868 1.00 0.00 C ATOM 1091 CG LYS A 96 -7.677 -12.178 6.974 1.00 0.00 C ATOM 1092 CD LYS A 96 -7.611 -13.648 6.555 1.00 0.00 C ATOM 1093 CE LYS A 96 -8.875 -14.059 5.797 1.00 0.00 C ATOM 1094 NZ LYS A 96 -8.664 -15.347 5.099 1.00 0.00 N ATOM 0 H LYS A 96 -5.818 -12.414 4.612 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.167 -10.092 5.581 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.527 -12.281 6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -6.112 -10.919 7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -8.042 -12.104 7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -8.390 -11.648 6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -6.736 -13.812 5.926 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -7.491 -14.276 7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.710 -14.147 6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.141 -13.287 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.531 -15.612 4.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.880 -15.251 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.432 -16.085 5.794 1.00 0.00 H new ATOM 1104 N ASN A 97 -3.923 -9.971 5.281 1.00 0.00 N ATOM 1105 CA ASN A 97 -2.781 -9.072 5.295 1.00 0.00 C ATOM 1106 C ASN A 97 -3.026 -7.927 4.311 1.00 0.00 C ATOM 1107 O ASN A 97 -2.566 -6.807 4.530 1.00 0.00 O ATOM 1108 CB ASN A 97 -1.504 -9.798 4.867 1.00 0.00 C ATOM 1109 CG ASN A 97 -0.598 -10.068 6.070 1.00 0.00 C ATOM 1110 OD1 ASN A 97 -0.261 -11.198 6.385 1.00 0.00 O ATOM 1111 ND2 ASN A 97 -0.224 -8.972 6.723 1.00 0.00 N ATOM 0 H ASN A 97 -3.725 -10.908 4.929 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.660 -8.697 6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.762 -10.740 4.383 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.969 -9.197 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.381 -9.047 7.541 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.542 -8.056 6.406 1.00 0.00 H new ATOM 1117 N ALA A 98 -3.751 -8.247 3.249 1.00 0.00 N ATOM 1118 CA ALA A 98 -4.062 -7.259 2.230 1.00 0.00 C ATOM 1119 C ALA A 98 -4.939 -6.163 2.841 1.00 0.00 C ATOM 1120 O ALA A 98 -4.760 -4.982 2.544 1.00 0.00 O ATOM 1121 CB ALA A 98 -4.732 -7.946 1.039 1.00 0.00 C ATOM 0 H ALA A 98 -4.132 -9.177 3.072 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.151 -6.787 1.862 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.965 -7.204 0.275 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -4.057 -8.695 0.624 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.652 -8.429 1.368 1.00 0.00 H new ATOM 1127 N ARG A 99 -5.869 -6.594 3.681 1.00 0.00 N ATOM 1128 CA ARG A 99 -6.775 -5.664 4.335 1.00 0.00 C ATOM 1129 C ARG A 99 -6.015 -4.810 5.352 1.00 0.00 C ATOM 1130 O ARG A 99 -6.260 -3.610 5.467 1.00 0.00 O ATOM 1131 CB ARG A 99 -7.906 -6.407 5.047 1.00 0.00 C ATOM 1132 CG ARG A 99 -9.246 -6.164 4.351 1.00 0.00 C ATOM 1133 CD ARG A 99 -10.310 -7.143 4.850 1.00 0.00 C ATOM 1134 NE ARG A 99 -9.926 -8.529 4.503 1.00 0.00 N ATOM 1135 CZ ARG A 99 -10.717 -9.596 4.682 1.00 0.00 C ATOM 1136 NH1 ARG A 99 -11.941 -9.442 5.206 1.00 0.00 N ATOM 1137 NH2 ARG A 99 -10.285 -10.816 4.337 1.00 0.00 N ATOM 0 H ARG A 99 -6.015 -7.574 3.924 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.205 -5.022 3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.690 -7.475 5.064 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -7.966 -6.077 6.084 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.574 -5.141 4.534 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -9.125 -6.272 3.273 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.425 -7.048 5.930 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.275 -6.902 4.404 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.001 -8.682 4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.270 -8.513 5.468 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.543 -10.254 5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.354 -10.933 3.938 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.887 -11.628 4.473 1.00 0.00 H new ATOM 1148 N GLU A 100 -5.108 -5.462 6.064 1.00 0.00 N ATOM 1149 CA GLU A 100 -4.311 -4.777 7.068 1.00 0.00 C ATOM 1150 C GLU A 100 -3.257 -3.894 6.398 1.00 0.00 C ATOM 1151 O GLU A 100 -2.971 -2.795 6.869 1.00 0.00 O ATOM 1152 CB GLU A 100 -3.660 -5.776 8.027 1.00 0.00 C ATOM 1153 CG GLU A 100 -4.710 -6.450 8.913 1.00 0.00 C ATOM 1154 CD GLU A 100 -4.063 -7.078 10.150 1.00 0.00 C ATOM 1155 OE1 GLU A 100 -3.128 -6.443 10.685 1.00 0.00 O ATOM 1156 OE2 GLU A 100 -4.517 -8.178 10.530 1.00 0.00 O ATOM 0 H GLU A 100 -4.907 -6.457 5.966 1.00 0.00 H new ATOM 0 HA GLU A 100 -4.972 -4.139 7.654 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.119 -6.532 7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.928 -5.263 8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -5.456 -5.717 9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -5.234 -7.217 8.343 1.00 0.00 H new ATOM 1161 N PHE A 101 -2.707 -4.409 5.307 1.00 0.00 N ATOM 1162 CA PHE A 101 -1.692 -3.681 4.566 1.00 0.00 C ATOM 1163 C PHE A 101 -2.259 -2.384 3.985 1.00 0.00 C ATOM 1164 O PHE A 101 -1.672 -1.316 4.152 1.00 0.00 O ATOM 1165 CB PHE A 101 -1.241 -4.585 3.418 1.00 0.00 C ATOM 1166 CG PHE A 101 -0.380 -3.878 2.370 1.00 0.00 C ATOM 1167 CD1 PHE A 101 -0.970 -3.188 1.358 1.00 0.00 C ATOM 1168 CD2 PHE A 101 0.976 -3.940 2.450 1.00 0.00 C ATOM 1169 CE1 PHE A 101 -0.171 -2.532 0.385 1.00 0.00 C ATOM 1170 CE2 PHE A 101 1.776 -3.283 1.477 1.00 0.00 C ATOM 1171 CZ PHE A 101 1.186 -2.593 0.465 1.00 0.00 C ATOM 0 H PHE A 101 -2.946 -5.322 4.919 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.866 -3.420 5.227 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.679 -5.424 3.829 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -2.122 -5.001 2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -2.047 -3.139 1.294 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.445 -4.489 3.253 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.640 -1.984 -0.419 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.853 -3.332 1.541 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.794 -2.094 -0.275 1.00 0.00 H new ATOM 1180 N MET A 102 -3.394 -2.520 3.316 1.00 0.00 N ATOM 1181 CA MET A 102 -4.049 -1.373 2.709 1.00 0.00 C ATOM 1182 C MET A 102 -4.542 -0.396 3.778 1.00 0.00 C ATOM 1183 O MET A 102 -4.549 0.815 3.560 1.00 0.00 O ATOM 1184 CB MET A 102 -5.232 -1.847 1.865 1.00 0.00 C ATOM 1185 CG MET A 102 -4.787 -2.201 0.444 1.00 0.00 C ATOM 1186 SD MET A 102 -4.018 -0.784 -0.323 1.00 0.00 S ATOM 1187 CE MET A 102 -5.471 0.119 -0.831 1.00 0.00 C ATOM 0 H MET A 102 -3.878 -3.408 3.181 1.00 0.00 H new ATOM 0 HA MET A 102 -3.326 -0.857 2.077 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.691 -2.718 2.333 1.00 0.00 H new ATOM 0 HB3 MET A 102 -5.992 -1.067 1.828 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.087 -3.036 0.470 1.00 0.00 H new ATOM 0 HG3 MET A 102 -5.645 -2.523 -0.145 1.00 0.00 H new ATOM 0 HE1 MET A 102 -5.215 0.788 -1.652 1.00 0.00 H new ATOM 0 HE2 MET A 102 -6.238 -0.582 -1.160 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.849 0.703 0.009 1.00 0.00 H new ATOM 1195 N GLY A 103 -4.943 -0.957 4.909 1.00 0.00 N ATOM 1196 CA GLY A 103 -5.437 -0.151 6.011 1.00 0.00 C ATOM 1197 C GLY A 103 -4.281 0.481 6.790 1.00 0.00 C ATOM 1198 O GLY A 103 -4.482 1.017 7.879 1.00 0.00 O ATOM 0 H GLY A 103 -4.936 -1.962 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.093 0.631 5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.035 -0.770 6.680 1.00 0.00 H new ATOM 1202 N GLU A 104 -3.097 0.396 6.201 1.00 0.00 N ATOM 1203 CA GLU A 104 -1.909 0.952 6.826 1.00 0.00 C ATOM 1204 C GLU A 104 -1.182 1.879 5.851 1.00 0.00 C ATOM 1205 O GLU A 104 -0.516 2.826 6.269 1.00 0.00 O ATOM 1206 CB GLU A 104 -0.980 -0.159 7.323 1.00 0.00 C ATOM 1207 CG GLU A 104 -1.432 -0.681 8.688 1.00 0.00 C ATOM 1208 CD GLU A 104 -0.242 -0.841 9.636 1.00 0.00 C ATOM 1209 OE1 GLU A 104 0.478 0.165 9.818 1.00 0.00 O ATOM 1210 OE2 GLU A 104 -0.080 -1.965 10.158 1.00 0.00 O ATOM 0 H GLU A 104 -2.935 -0.049 5.298 1.00 0.00 H new ATOM 0 HA GLU A 104 -2.217 1.537 7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -0.967 -0.977 6.603 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.040 0.219 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -2.157 0.007 9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -1.936 -1.640 8.566 1.00 0.00 H new ATOM 1215 N LEU A 105 -1.334 1.577 4.570 1.00 0.00 N ATOM 1216 CA LEU A 105 -0.699 2.371 3.532 1.00 0.00 C ATOM 1217 C LEU A 105 -1.704 3.392 2.992 1.00 0.00 C ATOM 1218 O LEU A 105 -1.340 4.527 2.691 1.00 0.00 O ATOM 1219 CB LEU A 105 -0.102 1.466 2.454 1.00 0.00 C ATOM 1220 CG LEU A 105 -0.473 1.808 1.010 1.00 0.00 C ATOM 1221 CD1 LEU A 105 -1.938 1.475 0.727 1.00 0.00 C ATOM 1222 CD2 LEU A 105 -0.145 3.269 0.690 1.00 0.00 C ATOM 0 H LEU A 105 -1.888 0.792 4.227 1.00 0.00 H new ATOM 0 HA LEU A 105 0.140 2.934 3.942 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.984 1.493 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -0.413 0.441 2.655 1.00 0.00 H new ATOM 0 HG LEU A 105 0.132 1.190 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -2.176 1.728 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.107 0.410 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.578 2.049 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -0.419 3.486 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.705 3.923 1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 105 0.923 3.440 0.826 1.00 0.00 H new ATOM 1233 N TRP A 106 -2.949 2.949 2.886 1.00 0.00 N ATOM 1234 CA TRP A 106 -4.008 3.810 2.387 1.00 0.00 C ATOM 1235 C TRP A 106 -4.100 5.029 3.306 1.00 0.00 C ATOM 1236 O TRP A 106 -4.229 6.158 2.835 1.00 0.00 O ATOM 1237 CB TRP A 106 -5.329 3.044 2.277 1.00 0.00 C ATOM 1238 CG TRP A 106 -6.333 3.675 1.310 1.00 0.00 C ATOM 1239 CD1 TRP A 106 -7.529 4.210 1.596 1.00 0.00 C ATOM 1240 CD2 TRP A 106 -6.182 3.814 -0.118 1.00 0.00 C ATOM 1241 NE1 TRP A 106 -8.155 4.682 0.460 1.00 0.00 N ATOM 1242 CE2 TRP A 106 -7.310 4.434 -0.615 1.00 0.00 C ATOM 1243 CE3 TRP A 106 -5.125 3.430 -0.963 1.00 0.00 C ATOM 1244 CZ2 TRP A 106 -7.491 4.725 -1.972 1.00 0.00 C ATOM 1245 CZ3 TRP A 106 -5.322 3.726 -2.317 1.00 0.00 C ATOM 1246 CH2 TRP A 106 -6.452 4.350 -2.833 1.00 0.00 C ATOM 0 H TRP A 106 -3.247 2.006 3.137 1.00 0.00 H new ATOM 0 HA TRP A 106 -3.783 4.152 1.377 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -5.120 2.024 1.954 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -5.783 2.979 3.266 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -7.949 4.265 2.589 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -9.070 5.131 0.417 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -4.232 2.945 -0.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -8.384 5.212 -2.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -4.541 3.450 -3.010 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -6.528 4.545 -3.893 1.00 0.00 H new ATOM 1256 N PRO A 107 -4.026 4.754 4.637 1.00 0.00 N ATOM 1257 CA PRO A 107 -4.099 5.815 5.625 1.00 0.00 C ATOM 1258 C PRO A 107 -2.789 6.604 5.681 1.00 0.00 C ATOM 1259 O PRO A 107 -2.785 7.784 6.027 1.00 0.00 O ATOM 1260 CB PRO A 107 -4.426 5.112 6.933 1.00 0.00 C ATOM 1261 CG PRO A 107 -4.067 3.651 6.722 1.00 0.00 C ATOM 1262 CD PRO A 107 -3.873 3.429 5.231 1.00 0.00 C ATOM 0 HA PRO A 107 -4.859 6.560 5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -3.857 5.539 7.759 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.481 5.223 7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.157 3.399 7.267 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.857 3.005 7.104 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.890 3.010 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -4.610 2.730 4.835 1.00 0.00 H new ATOM 1267 N LEU A 108 -1.708 5.919 5.337 1.00 0.00 N ATOM 1268 CA LEU A 108 -0.396 6.540 5.343 1.00 0.00 C ATOM 1269 C LEU A 108 -0.400 7.743 4.400 1.00 0.00 C ATOM 1270 O LEU A 108 0.135 8.800 4.732 1.00 0.00 O ATOM 1271 CB LEU A 108 0.687 5.508 5.020 1.00 0.00 C ATOM 1272 CG LEU A 108 1.924 5.528 5.920 1.00 0.00 C ATOM 1273 CD1 LEU A 108 1.973 4.285 6.811 1.00 0.00 C ATOM 1274 CD2 LEU A 108 3.201 5.691 5.094 1.00 0.00 C ATOM 0 H LEU A 108 -1.715 4.940 5.052 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.158 6.917 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.241 4.515 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.009 5.660 3.990 1.00 0.00 H new ATOM 0 HG LEU A 108 1.854 6.394 6.578 1.00 0.00 H new ATOM 0 HD11 LEU A 108 2.862 4.324 7.441 1.00 0.00 H new ATOM 0 HD12 LEU A 108 1.083 4.253 7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.009 3.392 6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 108 4.065 5.702 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 108 3.291 4.859 4.395 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.158 6.628 4.539 1.00 0.00 H new ATOM 1285 N LEU A 109 -1.010 7.544 3.241 1.00 0.00 N ATOM 1286 CA LEU A 109 -1.092 8.599 2.246 1.00 0.00 C ATOM 1287 C LEU A 109 -2.078 9.667 2.722 1.00 0.00 C ATOM 1288 O LEU A 109 -1.903 10.851 2.435 1.00 0.00 O ATOM 1289 CB LEU A 109 -1.432 8.016 0.873 1.00 0.00 C ATOM 1290 CG LEU A 109 -0.691 6.734 0.486 1.00 0.00 C ATOM 1291 CD1 LEU A 109 -1.474 5.945 -0.565 1.00 0.00 C ATOM 1292 CD2 LEU A 109 0.736 7.042 0.028 1.00 0.00 C ATOM 0 H LEU A 109 -1.453 6.666 2.969 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.125 9.087 2.128 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.503 7.817 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.225 8.774 0.117 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.615 6.103 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.926 5.039 -0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.452 5.676 -0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.603 6.557 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.240 6.114 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.705 7.703 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.281 7.529 0.837 1.00 0.00 H new ATOM 1303 N LEU A 110 -3.094 9.211 3.441 1.00 0.00 N ATOM 1304 CA LEU A 110 -4.109 10.113 3.959 1.00 0.00 C ATOM 1305 C LEU A 110 -3.432 11.231 4.755 1.00 0.00 C ATOM 1306 O LEU A 110 -3.792 12.399 4.620 1.00 0.00 O ATOM 1307 CB LEU A 110 -5.157 9.336 4.758 1.00 0.00 C ATOM 1308 CG LEU A 110 -6.359 8.822 3.964 1.00 0.00 C ATOM 1309 CD1 LEU A 110 -6.026 8.713 2.474 1.00 0.00 C ATOM 1310 CD2 LEU A 110 -6.867 7.496 4.535 1.00 0.00 C ATOM 0 H LEU A 110 -3.236 8.229 3.677 1.00 0.00 H new ATOM 0 HA LEU A 110 -4.652 10.587 3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.667 8.484 5.230 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.523 9.978 5.559 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.168 9.546 4.062 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -6.898 8.345 1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -5.748 9.695 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.195 8.021 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.722 7.153 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -6.073 6.751 4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.169 7.639 5.573 1.00 0.00 H new ATOM 1321 N SER A 111 -2.464 10.833 5.568 1.00 0.00 N ATOM 1322 CA SER A 111 -1.734 11.786 6.385 1.00 0.00 C ATOM 1323 C SER A 111 -0.685 12.508 5.538 1.00 0.00 C ATOM 1324 O SER A 111 -0.389 13.679 5.773 1.00 0.00 O ATOM 1325 CB SER A 111 -1.069 11.095 7.578 1.00 0.00 C ATOM 1326 OG SER A 111 -0.212 11.977 8.297 1.00 0.00 O ATOM 0 H SER A 111 -2.169 9.863 5.678 1.00 0.00 H new ATOM 0 HA SER A 111 -2.444 12.517 6.772 1.00 0.00 H new ATOM 0 HB2 SER A 111 -1.838 10.710 8.248 1.00 0.00 H new ATOM 0 HB3 SER A 111 -0.494 10.238 7.226 1.00 0.00 H new ATOM 0 HG SER A 111 0.192 11.499 9.051 1.00 0.00 H new ATOM 1331 N ALA A 112 -0.150 11.779 4.569 1.00 0.00 N ATOM 1332 CA ALA A 112 0.860 12.335 3.685 1.00 0.00 C ATOM 1333 C ALA A 112 0.254 13.492 2.889 1.00 0.00 C ATOM 1334 O ALA A 112 0.854 14.561 2.785 1.00 0.00 O ATOM 1335 CB ALA A 112 1.410 11.231 2.781 1.00 0.00 C ATOM 0 H ALA A 112 -0.397 10.808 4.377 1.00 0.00 H new ATOM 0 HA ALA A 112 1.696 12.733 4.260 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.168 11.648 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 112 1.855 10.447 3.394 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.599 10.810 2.186 1.00 0.00 H new ATOM 1341 N GLN A 113 -0.928 13.240 2.347 1.00 0.00 N ATOM 1342 CA GLN A 113 -1.622 14.248 1.563 1.00 0.00 C ATOM 1343 C GLN A 113 -1.939 15.469 2.429 1.00 0.00 C ATOM 1344 O GLN A 113 -2.306 16.523 1.912 1.00 0.00 O ATOM 1345 CB GLN A 113 -2.895 13.675 0.936 1.00 0.00 C ATOM 1346 CG GLN A 113 -3.874 13.207 2.015 1.00 0.00 C ATOM 1347 CD GLN A 113 -5.253 12.920 1.417 1.00 0.00 C ATOM 1348 OE1 GLN A 113 -6.225 13.608 1.676 1.00 0.00 O ATOM 1349 NE2 GLN A 113 -5.281 11.868 0.603 1.00 0.00 N ATOM 0 H GLN A 113 -1.423 12.353 2.435 1.00 0.00 H new ATOM 0 HA GLN A 113 -0.967 14.563 0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -3.370 14.432 0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -2.640 12.839 0.284 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -3.488 12.308 2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -3.961 13.970 2.788 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -4.429 11.335 0.429 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -6.154 11.595 0.153 1.00 0.00 H new ATOM 1356 N GLU A 114 -1.786 15.286 3.733 1.00 0.00 N ATOM 1357 CA GLU A 114 -2.051 16.359 4.675 1.00 0.00 C ATOM 1358 C GLU A 114 -0.766 17.140 4.966 1.00 0.00 C ATOM 1359 O GLU A 114 -0.798 18.156 5.657 1.00 0.00 O ATOM 1360 CB GLU A 114 -2.666 15.816 5.967 1.00 0.00 C ATOM 1361 CG GLU A 114 -4.038 15.193 5.699 1.00 0.00 C ATOM 1362 CD GLU A 114 -5.125 15.891 6.519 1.00 0.00 C ATOM 1363 OE1 GLU A 114 -5.350 15.443 7.663 1.00 0.00 O ATOM 1364 OE2 GLU A 114 -5.708 16.858 5.981 1.00 0.00 O ATOM 0 H GLU A 114 -1.482 14.410 4.158 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.774 17.040 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -2.003 15.070 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -2.764 16.622 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -4.274 15.267 4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -4.015 14.132 5.947 1.00 0.00 H new ATOM 1369 N ASN A 115 0.330 16.633 4.424 1.00 0.00 N ATOM 1370 CA ASN A 115 1.623 17.270 4.617 1.00 0.00 C ATOM 1371 C ASN A 115 1.886 18.239 3.462 1.00 0.00 C ATOM 1372 O ASN A 115 0.970 18.589 2.720 1.00 0.00 O ATOM 1373 CB ASN A 115 2.750 16.235 4.631 1.00 0.00 C ATOM 1374 CG ASN A 115 3.475 16.234 5.978 1.00 0.00 C ATOM 1375 OD1 ASN A 115 4.632 16.605 6.091 1.00 0.00 O ATOM 1376 ND2 ASN A 115 2.733 15.797 6.992 1.00 0.00 N ATOM 0 H ASN A 115 0.351 15.789 3.851 1.00 0.00 H new ATOM 0 HA ASN A 115 1.602 17.794 5.573 1.00 0.00 H new ATOM 0 HB2 ASN A 115 2.341 15.244 4.433 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.459 16.453 3.832 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.127 15.758 7.932 1.00 0.00 H new ATOM 0 HD22 ASN A 115 1.771 15.501 6.829 1.00 0.00 H new ATOM 1382 N ILE A 116 3.142 18.646 3.347 1.00 0.00 N ATOM 1383 CA ILE A 116 3.537 19.567 2.297 1.00 0.00 C ATOM 1384 C ILE A 116 4.412 18.831 1.281 1.00 0.00 C ATOM 1385 O ILE A 116 4.243 18.997 0.073 1.00 0.00 O ATOM 1386 CB ILE A 116 4.201 20.809 2.895 1.00 0.00 C ATOM 1387 CG1 ILE A 116 3.961 22.038 2.014 1.00 0.00 C ATOM 1388 CG2 ILE A 116 5.690 20.566 3.147 1.00 0.00 C ATOM 1389 CD1 ILE A 116 4.914 22.047 0.816 1.00 0.00 C ATOM 0 H ILE A 116 3.899 18.354 3.965 1.00 0.00 H new ATOM 0 HA ILE A 116 2.661 19.930 1.760 1.00 0.00 H new ATOM 0 HB ILE A 116 3.739 21.011 3.861 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.929 22.043 1.663 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.101 22.945 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.138 21.464 3.572 1.00 0.00 H new ATOM 0 HG22 ILE A 116 5.810 19.736 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.184 20.325 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.723 22.930 0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.944 22.067 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 116 4.754 21.151 0.217 1.00 0.00 H new ATOM 1400 N ALA A 117 5.330 18.033 1.807 1.00 0.00 N ATOM 1401 CA ALA A 117 6.233 17.270 0.961 1.00 0.00 C ATOM 1402 C ALA A 117 5.565 15.952 0.568 1.00 0.00 C ATOM 1403 O ALA A 117 6.158 15.137 -0.137 1.00 0.00 O ATOM 1404 CB ALA A 117 7.559 17.057 1.692 1.00 0.00 C ATOM 0 H ALA A 117 5.468 17.898 2.809 1.00 0.00 H new ATOM 0 HA ALA A 117 6.451 17.815 0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 117 8.236 16.485 1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.007 18.024 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 117 7.380 16.510 2.618 1.00 0.00 H new ATOM 1410 N GLY A 118 4.338 15.781 1.042 1.00 0.00 N ATOM 1411 CA GLY A 118 3.583 14.576 0.749 1.00 0.00 C ATOM 1412 C GLY A 118 4.162 13.372 1.495 1.00 0.00 C ATOM 1413 O GLY A 118 4.194 12.264 0.962 1.00 0.00 O ATOM 0 H GLY A 118 3.849 16.458 1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 118 2.540 14.718 1.033 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.598 14.385 -0.324 1.00 0.00 H new ATOM 1417 N ILE A 119 4.604 13.631 2.718 1.00 0.00 N ATOM 1418 CA ILE A 119 5.179 12.581 3.542 1.00 0.00 C ATOM 1419 C ILE A 119 4.310 12.381 4.785 1.00 0.00 C ATOM 1420 O ILE A 119 3.847 13.349 5.385 1.00 0.00 O ATOM 1421 CB ILE A 119 6.644 12.893 3.860 1.00 0.00 C ATOM 1422 CG1 ILE A 119 7.572 12.304 2.796 1.00 0.00 C ATOM 1423 CG2 ILE A 119 7.012 12.418 5.267 1.00 0.00 C ATOM 1424 CD1 ILE A 119 7.437 13.062 1.473 1.00 0.00 C ATOM 0 H ILE A 119 4.575 14.551 3.157 1.00 0.00 H new ATOM 0 HA ILE A 119 5.187 11.634 3.002 1.00 0.00 H new ATOM 0 HB ILE A 119 6.776 13.975 3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 119 8.604 12.350 3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 119 7.334 11.251 2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.058 12.651 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 119 6.380 12.923 5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.861 11.341 5.339 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.107 12.624 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 119 6.409 12.993 1.118 1.00 0.00 H new ATOM 0 HD13 ILE A 119 7.699 14.109 1.625 1.00 0.00 H new ATOM 1435 N PRO A 120 4.108 11.084 5.143 1.00 0.00 N ATOM 1436 CA PRO A 120 3.303 10.745 6.304 1.00 0.00 C ATOM 1437 C PRO A 120 4.066 11.021 7.601 1.00 0.00 C ATOM 1438 O PRO A 120 5.295 11.060 7.606 1.00 0.00 O ATOM 1439 CB PRO A 120 2.952 9.276 6.122 1.00 0.00 C ATOM 1440 CG PRO A 120 3.952 8.730 5.116 1.00 0.00 C ATOM 1441 CD PRO A 120 4.642 9.912 4.456 1.00 0.00 C ATOM 0 HA PRO A 120 2.400 11.351 6.382 1.00 0.00 H new ATOM 0 HB2 PRO A 120 3.017 8.739 7.068 1.00 0.00 H new ATOM 0 HB3 PRO A 120 1.931 9.161 5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 120 4.682 8.090 5.612 1.00 0.00 H new ATOM 0 HG3 PRO A 120 3.447 8.117 4.369 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.725 9.849 4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.430 9.948 3.388 1.00 0.00 H new ATOM 1446 N SER A 121 3.305 11.205 8.669 1.00 0.00 N ATOM 1447 CA SER A 121 3.893 11.477 9.969 1.00 0.00 C ATOM 1448 C SER A 121 4.694 10.263 10.445 1.00 0.00 C ATOM 1449 O SER A 121 5.505 10.372 11.364 1.00 0.00 O ATOM 1450 CB SER A 121 2.818 11.839 10.996 1.00 0.00 C ATOM 1451 OG SER A 121 2.045 10.706 11.381 1.00 0.00 O ATOM 0 H SER A 121 2.286 11.171 8.661 1.00 0.00 H new ATOM 0 HA SER A 121 4.563 12.331 9.869 1.00 0.00 H new ATOM 0 HB2 SER A 121 3.290 12.272 11.878 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.160 12.602 10.579 1.00 0.00 H new ATOM 0 HG SER A 121 1.371 10.978 12.039 1.00 0.00 H new ATOM 1456 N ALA A 122 4.438 9.135 9.798 1.00 0.00 N ATOM 1457 CA ALA A 122 5.125 7.902 10.144 1.00 0.00 C ATOM 1458 C ALA A 122 6.634 8.104 9.990 1.00 0.00 C ATOM 1459 O ALA A 122 7.423 7.481 10.700 1.00 0.00 O ATOM 1460 CB ALA A 122 4.597 6.762 9.271 1.00 0.00 C ATOM 0 H ALA A 122 3.765 9.049 9.037 1.00 0.00 H new ATOM 0 HA ALA A 122 4.933 7.633 11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.112 5.837 9.530 1.00 0.00 H new ATOM 0 HB2 ALA A 122 3.527 6.641 9.439 1.00 0.00 H new ATOM 0 HB3 ALA A 122 4.776 6.995 8.221 1.00 0.00 H new ATOM 1466 N PHE A 123 6.990 8.976 9.059 1.00 0.00 N ATOM 1467 CA PHE A 123 8.391 9.268 8.803 1.00 0.00 C ATOM 1468 C PHE A 123 8.819 10.557 9.507 1.00 0.00 C ATOM 1469 O PHE A 123 9.927 10.640 10.038 1.00 0.00 O ATOM 1470 CB PHE A 123 8.540 9.451 7.291 1.00 0.00 C ATOM 1471 CG PHE A 123 8.027 8.270 6.467 1.00 0.00 C ATOM 1472 CD1 PHE A 123 7.975 7.027 7.018 1.00 0.00 C ATOM 1473 CD2 PHE A 123 7.623 8.461 5.183 1.00 0.00 C ATOM 1474 CE1 PHE A 123 7.499 5.930 6.253 1.00 0.00 C ATOM 1475 CE2 PHE A 123 7.146 7.363 4.418 1.00 0.00 C ATOM 1476 CZ PHE A 123 7.095 6.121 4.970 1.00 0.00 C ATOM 0 H PHE A 123 6.333 9.490 8.472 1.00 0.00 H new ATOM 0 HA PHE A 123 9.016 8.457 9.178 1.00 0.00 H new ATOM 0 HB2 PHE A 123 8.004 10.351 6.990 1.00 0.00 H new ATOM 0 HB3 PHE A 123 9.592 9.614 7.057 1.00 0.00 H new ATOM 0 HD1 PHE A 123 8.296 6.875 8.038 1.00 0.00 H new ATOM 0 HD2 PHE A 123 7.665 9.447 4.745 1.00 0.00 H new ATOM 0 HE1 PHE A 123 7.458 4.944 6.691 1.00 0.00 H new ATOM 0 HE2 PHE A 123 6.824 7.514 3.398 1.00 0.00 H new ATOM 0 HZ PHE A 123 6.733 5.286 4.388 1.00 0.00 H new ATOM 1485 N LEU A 124 7.921 11.530 9.488 1.00 0.00 N ATOM 1486 CA LEU A 124 8.193 12.812 10.117 1.00 0.00 C ATOM 1487 C LEU A 124 8.613 12.582 11.570 1.00 0.00 C ATOM 1488 O LEU A 124 9.760 12.835 11.937 1.00 0.00 O ATOM 1489 CB LEU A 124 6.994 13.749 9.965 1.00 0.00 C ATOM 1490 CG LEU A 124 6.482 13.958 8.538 1.00 0.00 C ATOM 1491 CD1 LEU A 124 5.105 14.623 8.541 1.00 0.00 C ATOM 1492 CD2 LEU A 124 7.496 14.742 7.701 1.00 0.00 C ATOM 0 H LEU A 124 7.004 11.457 9.047 1.00 0.00 H new ATOM 0 HA LEU A 124 9.024 13.312 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 124 6.175 13.360 10.570 1.00 0.00 H new ATOM 0 HB3 LEU A 124 7.263 14.721 10.379 1.00 0.00 H new ATOM 0 HG LEU A 124 6.366 12.980 8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 124 4.765 14.760 7.515 1.00 0.00 H new ATOM 0 HD12 LEU A 124 4.397 13.991 9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 124 5.170 15.593 9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 124 7.108 14.877 6.691 1.00 0.00 H new ATOM 0 HD22 LEU A 124 7.668 15.717 8.157 1.00 0.00 H new ATOM 0 HD23 LEU A 124 8.436 14.191 7.658 1.00 0.00 H new ATOM 1503 N GLU A 125 7.663 12.105 12.360 1.00 0.00 N ATOM 1504 CA GLU A 125 7.920 11.838 13.765 1.00 0.00 C ATOM 1505 C GLU A 125 9.181 10.988 13.921 1.00 0.00 C ATOM 1506 O GLU A 125 10.095 11.356 14.659 1.00 0.00 O ATOM 1507 CB GLU A 125 6.716 11.160 14.424 1.00 0.00 C ATOM 1508 CG GLU A 125 6.943 10.980 15.926 1.00 0.00 C ATOM 1509 CD GLU A 125 6.581 12.254 16.691 1.00 0.00 C ATOM 1510 OE1 GLU A 125 7.042 13.330 16.254 1.00 0.00 O ATOM 1511 OE2 GLU A 125 5.851 12.123 17.698 1.00 0.00 O ATOM 0 H GLU A 125 6.713 11.896 12.054 1.00 0.00 H new ATOM 0 HA GLU A 125 8.082 12.789 14.272 1.00 0.00 H new ATOM 0 HB2 GLU A 125 5.821 11.759 14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 125 6.542 10.189 13.960 1.00 0.00 H new ATOM 0 HG2 GLU A 125 6.341 10.148 16.291 1.00 0.00 H new ATOM 0 HG3 GLU A 125 7.986 10.724 16.112 1.00 0.00 H new