USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 814 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 14 SER OG : rot 66:sc= 1.43 USER MOD Set 1.2: A 16 HIS : no HD1:sc= -2.96 K(o=-0.53,f=-1.9!) USER MOD Set 1.3: A 108 CYS SG : rot -137:sc= 1.01 USER MOD Set 2.1: A 88 MET CE :methyl -178:sc= -4.44 (180deg=-3.22) USER MOD Set 2.2: A 110 ASN : amide:sc= -2.37 K(o=-6.8,f=-9.5!) USER MOD Set 3.1: A 80 SER OG : rot 140:sc= 0.114 USER MOD Set 3.2: A 82 ASN : amide:sc= 0.377 K(o=0.49,f=1.2) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.363 K(o=-0.36,f=-9.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot -87:sc= -1.49 USER MOD Single : A 32 THR OG1 : rot 81:sc=-0.00425 USER MOD Single : A 35 TYR OH : rot -104:sc= 1.53 USER MOD Single : A 36 GLN : amide:sc= -1.15 K(o=-1.1,f=-2.1!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.313 K(o=0.31,f=-12!) USER MOD Single : A 49 CYS SG : rot 79:sc= -1.57 USER MOD Single : A 50 HIS : no HE2:sc= -1.25 K(o=-1.2,f=-7!) USER MOD Single : A 54 GLN : amide:sc= -1.15 K(o=-1.1,f=-1.9) USER MOD Single : A 55 GLN : amide:sc= -0.265 K(o=-0.27,f=-3!) USER MOD Single : A 60 SER OG : rot -83:sc= 0.642 USER MOD Single : A 62 GLN : amide:sc= -4.45! K(o=-4.4!,f=-1.6) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 73 SER OG : rot 43:sc= 0.0248 USER MOD Single : A 75 MET CE :methyl -129:sc= 0 (180deg=-0.539) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0.875 (180deg=0.875) USER MOD Single : A 83 GLN : amide:sc= -0.709 X(o=-0.71,f=-0.46) USER MOD Single : A 90 THR OG1 : rot -170:sc= -0.735 USER MOD Single : A 91 SER OG : rot 115:sc= -2.89! USER MOD Single : A 92 SER OG : rot -121:sc= 0.57 USER MOD Single : A 94 THR OG1 : rot -130:sc= -1.39! USER MOD Single : A 96 GLN : amide:sc= -1.8 K(o=-1.8,f=-1.2) USER MOD Single : A 105 TYR OH : rot 180:sc= -0.0451 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0.349 K(o=0.35,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 107 N PRO A 9 -2.834 11.008 -10.941 1.00 0.00 N ATOM 108 CA PRO A 9 -2.804 9.632 -11.451 1.00 0.00 C ATOM 109 C PRO A 9 -3.167 8.603 -10.376 1.00 0.00 C ATOM 110 O PRO A 9 -2.955 8.837 -9.185 1.00 0.00 O ATOM 111 CB PRO A 9 -1.346 9.451 -11.869 1.00 0.00 C ATOM 112 CG PRO A 9 -0.879 10.820 -12.220 1.00 0.00 C ATOM 113 CD PRO A 9 -1.620 11.762 -11.309 1.00 0.00 C ATOM 0 HA PRO A 9 -3.525 9.480 -12.254 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.752 9.026 -11.060 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.259 8.773 -12.718 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.198 10.911 -12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.086 11.046 -13.266 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.027 12.020 -10.431 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.866 12.696 -11.813 1.00 0.00 H new ATOM 121 N THR A 10 -3.694 7.459 -10.796 1.00 0.00 N ATOM 122 CA THR A 10 -4.121 6.427 -9.858 1.00 0.00 C ATOM 123 C THR A 10 -2.983 5.460 -9.526 1.00 0.00 C ATOM 124 O THR A 10 -3.201 4.262 -9.318 1.00 0.00 O ATOM 125 CB THR A 10 -5.331 5.646 -10.402 1.00 0.00 C ATOM 126 OG1 THR A 10 -5.051 5.137 -11.716 1.00 0.00 O ATOM 127 CG2 THR A 10 -6.563 6.536 -10.448 1.00 0.00 C ATOM 0 H THR A 10 -3.836 7.222 -11.778 1.00 0.00 H new ATOM 0 HA THR A 10 -4.416 6.935 -8.940 1.00 0.00 H new ATOM 0 HB THR A 10 -5.524 4.809 -9.731 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.829 4.642 -12.048 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.408 5.967 -10.835 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.794 6.890 -9.443 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.371 7.389 -11.099 1.00 0.00 H new ATOM 135 N GLU A 11 -1.770 5.985 -9.513 1.00 0.00 N ATOM 136 CA GLU A 11 -0.605 5.240 -9.069 1.00 0.00 C ATOM 137 C GLU A 11 0.112 6.047 -7.995 1.00 0.00 C ATOM 138 O GLU A 11 0.328 7.245 -8.172 1.00 0.00 O ATOM 139 CB GLU A 11 0.331 4.999 -10.260 1.00 0.00 C ATOM 140 CG GLU A 11 1.645 4.335 -9.892 1.00 0.00 C ATOM 141 CD GLU A 11 2.665 4.413 -11.006 1.00 0.00 C ATOM 142 OE1 GLU A 11 3.426 5.401 -11.042 1.00 0.00 O ATOM 143 OE2 GLU A 11 2.716 3.489 -11.846 1.00 0.00 O ATOM 0 H GLU A 11 -1.565 6.939 -9.810 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.908 4.277 -8.659 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.184 4.379 -10.993 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.541 5.954 -10.742 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.051 4.810 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.463 3.290 -9.643 1.00 0.00 H new ATOM 150 N PHE A 12 0.491 5.413 -6.893 1.00 0.00 N ATOM 151 CA PHE A 12 1.190 6.133 -5.828 1.00 0.00 C ATOM 152 C PHE A 12 2.202 5.239 -5.134 1.00 0.00 C ATOM 153 O PHE A 12 2.082 4.020 -5.152 1.00 0.00 O ATOM 154 CB PHE A 12 0.208 6.747 -4.801 1.00 0.00 C ATOM 155 CG PHE A 12 -0.466 5.780 -3.848 1.00 0.00 C ATOM 156 CD1 PHE A 12 0.134 5.433 -2.643 1.00 0.00 C ATOM 157 CD2 PHE A 12 -1.709 5.245 -4.140 1.00 0.00 C ATOM 158 CE1 PHE A 12 -0.492 4.570 -1.757 1.00 0.00 C ATOM 159 CE2 PHE A 12 -2.343 4.385 -3.256 1.00 0.00 C ATOM 160 CZ PHE A 12 -1.733 4.045 -2.063 1.00 0.00 C ATOM 0 H PHE A 12 0.332 4.422 -6.711 1.00 0.00 H new ATOM 0 HA PHE A 12 1.726 6.956 -6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 12 0.750 7.486 -4.211 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.567 7.283 -5.349 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.102 5.842 -2.393 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -2.193 5.501 -5.071 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.009 4.308 -0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.314 3.980 -3.500 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.223 3.373 -1.374 1.00 0.00 H new ATOM 170 N ILE A 13 3.209 5.855 -4.539 1.00 0.00 N ATOM 171 CA ILE A 13 4.241 5.123 -3.824 1.00 0.00 C ATOM 172 C ILE A 13 4.127 5.399 -2.331 1.00 0.00 C ATOM 173 O ILE A 13 3.936 6.543 -1.917 1.00 0.00 O ATOM 174 CB ILE A 13 5.655 5.505 -4.322 1.00 0.00 C ATOM 175 CG1 ILE A 13 5.752 5.322 -5.841 1.00 0.00 C ATOM 176 CG2 ILE A 13 6.713 4.663 -3.618 1.00 0.00 C ATOM 177 CD1 ILE A 13 7.084 5.748 -6.424 1.00 0.00 C ATOM 0 H ILE A 13 3.334 6.867 -4.537 1.00 0.00 H new ATOM 0 HA ILE A 13 4.094 4.060 -4.014 1.00 0.00 H new ATOM 0 HB ILE A 13 5.834 6.554 -4.086 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.579 4.273 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.957 5.895 -6.318 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.702 4.944 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.658 4.834 -2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.537 3.608 -3.827 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.077 5.589 -7.502 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.252 6.804 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.883 5.158 -5.976 1.00 0.00 H new ATOM 189 N SER A 14 4.211 4.357 -1.527 1.00 0.00 N ATOM 190 CA SER A 14 4.111 4.511 -0.088 1.00 0.00 C ATOM 191 C SER A 14 5.160 3.669 0.630 1.00 0.00 C ATOM 192 O SER A 14 5.466 2.550 0.221 1.00 0.00 O ATOM 193 CB SER A 14 2.705 4.135 0.379 1.00 0.00 C ATOM 194 OG SER A 14 2.296 2.901 -0.186 1.00 0.00 O ATOM 0 H SER A 14 4.348 3.397 -1.844 1.00 0.00 H new ATOM 0 HA SER A 14 4.299 5.555 0.161 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.685 4.065 1.467 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.002 4.919 0.097 1.00 0.00 H new ATOM 0 HG SER A 14 2.859 2.179 0.163 1.00 0.00 H new ATOM 200 N ARG A 15 5.714 4.224 1.688 1.00 0.00 N ATOM 201 CA ARG A 15 6.686 3.531 2.508 1.00 0.00 C ATOM 202 C ARG A 15 6.050 3.199 3.848 1.00 0.00 C ATOM 203 O ARG A 15 5.496 4.075 4.519 1.00 0.00 O ATOM 204 CB ARG A 15 7.930 4.399 2.715 1.00 0.00 C ATOM 205 CG ARG A 15 8.573 4.862 1.418 1.00 0.00 C ATOM 206 CD ARG A 15 9.769 5.766 1.674 1.00 0.00 C ATOM 207 NE ARG A 15 10.344 6.275 0.430 1.00 0.00 N ATOM 208 CZ ARG A 15 11.482 6.960 0.359 1.00 0.00 C ATOM 209 NH1 ARG A 15 12.202 7.182 1.450 1.00 0.00 N ATOM 210 NH2 ARG A 15 11.903 7.407 -0.815 1.00 0.00 N ATOM 0 H ARG A 15 5.502 5.170 2.004 1.00 0.00 H new ATOM 0 HA ARG A 15 6.994 2.613 2.008 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.659 5.272 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 15 8.663 3.836 3.293 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.890 3.995 0.839 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.836 5.395 0.817 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.464 6.603 2.302 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.530 5.214 2.226 1.00 0.00 H new ATOM 0 HE ARG A 15 9.841 6.093 -0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.884 6.827 2.352 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.074 7.708 1.388 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.355 7.225 -1.656 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.775 7.933 -0.878 1.00 0.00 H new ATOM 224 N HIS A 16 6.109 1.939 4.227 1.00 0.00 N ATOM 225 CA HIS A 16 5.453 1.480 5.437 1.00 0.00 C ATOM 226 C HIS A 16 6.274 0.379 6.088 1.00 0.00 C ATOM 227 O HIS A 16 6.960 -0.367 5.402 1.00 0.00 O ATOM 228 CB HIS A 16 4.025 0.991 5.122 1.00 0.00 C ATOM 229 CG HIS A 16 3.929 -0.228 4.251 1.00 0.00 C ATOM 230 ND1 HIS A 16 2.866 -1.105 4.319 1.00 0.00 N ATOM 231 CD2 HIS A 16 4.742 -0.706 3.280 1.00 0.00 C ATOM 232 CE1 HIS A 16 3.033 -2.067 3.431 1.00 0.00 C ATOM 233 NE2 HIS A 16 4.162 -1.849 2.785 1.00 0.00 N ATOM 0 H HIS A 16 6.606 1.211 3.713 1.00 0.00 H new ATOM 0 HA HIS A 16 5.377 2.312 6.137 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.517 0.783 6.063 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.481 1.803 4.639 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.675 -0.269 2.954 1.00 0.00 H new ATOM 0 HE1 HIS A 16 2.359 -2.894 3.262 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.542 -2.433 2.040 1.00 0.00 H new ATOM 242 N ASN A 17 6.195 0.266 7.402 1.00 0.00 N ATOM 243 CA ASN A 17 7.002 -0.710 8.117 1.00 0.00 C ATOM 244 C ASN A 17 6.406 -2.097 7.930 1.00 0.00 C ATOM 245 O ASN A 17 5.256 -2.224 7.497 1.00 0.00 O ATOM 246 CB ASN A 17 7.105 -0.370 9.611 1.00 0.00 C ATOM 247 CG ASN A 17 5.981 -0.953 10.451 1.00 0.00 C ATOM 248 OD1 ASN A 17 4.837 -1.051 10.021 1.00 0.00 O ATOM 249 ND2 ASN A 17 6.328 -1.388 11.648 1.00 0.00 N ATOM 0 H ASN A 17 5.586 0.832 7.993 1.00 0.00 H new ATOM 0 HA ASN A 17 8.011 -0.688 7.706 1.00 0.00 H new ATOM 0 HB2 ASN A 17 8.058 -0.736 9.992 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.109 0.714 9.728 1.00 0.00 H new ATOM 0 HD21 ASN A 17 5.633 -1.825 12.253 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.291 -1.287 11.968 1.00 0.00 H new ATOM 256 N ILE A 18 7.193 -3.110 8.303 1.00 0.00 N ATOM 257 CA ILE A 18 6.924 -4.521 7.982 1.00 0.00 C ATOM 258 C ILE A 18 5.564 -5.019 8.463 1.00 0.00 C ATOM 259 O ILE A 18 5.096 -6.066 8.016 1.00 0.00 O ATOM 260 CB ILE A 18 8.022 -5.437 8.569 1.00 0.00 C ATOM 261 CG1 ILE A 18 8.097 -5.283 10.093 1.00 0.00 C ATOM 262 CG2 ILE A 18 9.367 -5.122 7.931 1.00 0.00 C ATOM 263 CD1 ILE A 18 9.108 -6.199 10.749 1.00 0.00 C ATOM 0 H ILE A 18 8.047 -2.975 8.844 1.00 0.00 H new ATOM 0 HA ILE A 18 6.922 -4.568 6.893 1.00 0.00 H new ATOM 0 HB ILE A 18 7.766 -6.473 8.345 1.00 0.00 H new ATOM 0 HG12 ILE A 18 8.347 -4.250 10.333 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.113 -5.480 10.518 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.132 -5.774 8.353 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.306 -5.284 6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 18 9.628 -4.082 8.127 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.104 -6.033 11.826 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.848 -7.237 10.541 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.101 -5.988 10.353 1.00 0.00 H new ATOM 275 N GLU A 19 4.939 -4.289 9.375 1.00 0.00 N ATOM 276 CA GLU A 19 3.620 -4.653 9.867 1.00 0.00 C ATOM 277 C GLU A 19 2.544 -4.143 8.921 1.00 0.00 C ATOM 278 O GLU A 19 1.398 -4.585 8.967 1.00 0.00 O ATOM 279 CB GLU A 19 3.410 -4.072 11.261 1.00 0.00 C ATOM 280 CG GLU A 19 4.431 -4.570 12.260 1.00 0.00 C ATOM 281 CD GLU A 19 4.334 -3.871 13.596 1.00 0.00 C ATOM 282 OE1 GLU A 19 4.996 -2.828 13.772 1.00 0.00 O ATOM 283 OE2 GLU A 19 3.610 -4.373 14.478 1.00 0.00 O ATOM 0 H GLU A 19 5.325 -3.441 9.789 1.00 0.00 H new ATOM 0 HA GLU A 19 3.550 -5.740 9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.460 -2.984 11.208 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.410 -4.329 11.611 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.297 -5.642 12.406 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.432 -4.426 11.852 1.00 0.00 H new ATOM 290 N GLY A 20 2.939 -3.226 8.051 1.00 0.00 N ATOM 291 CA GLY A 20 2.010 -2.609 7.137 1.00 0.00 C ATOM 292 C GLY A 20 1.705 -1.174 7.512 1.00 0.00 C ATOM 293 O GLY A 20 0.814 -0.558 6.928 1.00 0.00 O ATOM 0 H GLY A 20 3.901 -2.897 7.964 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.421 -2.639 6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.084 -3.183 7.121 1.00 0.00 H new ATOM 297 N ILE A 21 2.471 -0.621 8.451 1.00 0.00 N ATOM 298 CA ILE A 21 2.146 0.697 9.016 1.00 0.00 C ATOM 299 C ILE A 21 2.800 1.811 8.209 1.00 0.00 C ATOM 300 O ILE A 21 4.021 1.836 8.058 1.00 0.00 O ATOM 301 CB ILE A 21 2.611 0.819 10.487 1.00 0.00 C ATOM 302 CG1 ILE A 21 2.042 -0.325 11.337 1.00 0.00 C ATOM 303 CG2 ILE A 21 2.206 2.169 11.072 1.00 0.00 C ATOM 304 CD1 ILE A 21 0.537 -0.318 11.445 1.00 0.00 C ATOM 0 H ILE A 21 3.311 -1.054 8.835 1.00 0.00 H new ATOM 0 HA ILE A 21 1.061 0.795 8.974 1.00 0.00 H new ATOM 0 HB ILE A 21 3.699 0.749 10.502 1.00 0.00 H new ATOM 0 HG12 ILE A 21 2.361 -1.275 10.909 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.468 -0.267 12.338 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.543 2.233 12.107 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.664 2.969 10.491 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.121 2.270 11.037 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.213 -1.157 12.061 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.209 0.616 11.902 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.100 -0.408 10.450 1.00 0.00 H new ATOM 316 N PHE A 22 1.993 2.739 7.708 1.00 0.00 N ATOM 317 CA PHE A 22 2.491 3.811 6.851 1.00 0.00 C ATOM 318 C PHE A 22 3.285 4.845 7.642 1.00 0.00 C ATOM 319 O PHE A 22 2.847 5.304 8.702 1.00 0.00 O ATOM 320 CB PHE A 22 1.336 4.508 6.130 1.00 0.00 C ATOM 321 CG PHE A 22 0.662 3.659 5.094 1.00 0.00 C ATOM 322 CD1 PHE A 22 -0.364 2.796 5.444 1.00 0.00 C ATOM 323 CD2 PHE A 22 1.046 3.734 3.767 1.00 0.00 C ATOM 324 CE1 PHE A 22 -0.989 2.022 4.488 1.00 0.00 C ATOM 325 CE2 PHE A 22 0.424 2.962 2.806 1.00 0.00 C ATOM 326 CZ PHE A 22 -0.595 2.104 3.167 1.00 0.00 C ATOM 0 H PHE A 22 0.988 2.771 7.880 1.00 0.00 H new ATOM 0 HA PHE A 22 3.155 3.350 6.119 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.596 4.819 6.867 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.712 5.414 5.654 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.678 2.729 6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.842 4.405 3.479 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -1.787 1.352 4.773 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.734 3.029 1.774 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.083 1.498 2.418 1.00 0.00 H new ATOM 336 N THR A 23 4.452 5.198 7.119 1.00 0.00 N ATOM 337 CA THR A 23 5.270 6.253 7.694 1.00 0.00 C ATOM 338 C THR A 23 5.483 7.378 6.678 1.00 0.00 C ATOM 339 O THR A 23 5.819 8.508 7.039 1.00 0.00 O ATOM 340 CB THR A 23 6.633 5.708 8.171 1.00 0.00 C ATOM 341 OG1 THR A 23 7.234 4.910 7.142 1.00 0.00 O ATOM 342 CG2 THR A 23 6.473 4.872 9.433 1.00 0.00 C ATOM 0 H THR A 23 4.855 4.763 6.289 1.00 0.00 H new ATOM 0 HA THR A 23 4.740 6.650 8.560 1.00 0.00 H new ATOM 0 HB THR A 23 7.277 6.559 8.394 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.099 4.571 7.454 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.448 4.500 9.749 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.046 5.487 10.225 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.811 4.030 9.230 1.00 0.00 H new ATOM 350 N PHE A 24 5.288 7.052 5.401 1.00 0.00 N ATOM 351 CA PHE A 24 5.343 8.036 4.324 1.00 0.00 C ATOM 352 C PHE A 24 4.486 7.560 3.153 1.00 0.00 C ATOM 353 O PHE A 24 4.547 6.399 2.776 1.00 0.00 O ATOM 354 CB PHE A 24 6.796 8.247 3.868 1.00 0.00 C ATOM 355 CG PHE A 24 6.939 9.183 2.698 1.00 0.00 C ATOM 356 CD1 PHE A 24 6.821 10.553 2.867 1.00 0.00 C ATOM 357 CD2 PHE A 24 7.197 8.688 1.428 1.00 0.00 C ATOM 358 CE1 PHE A 24 6.956 11.413 1.793 1.00 0.00 C ATOM 359 CE2 PHE A 24 7.331 9.544 0.351 1.00 0.00 C ATOM 360 CZ PHE A 24 7.211 10.908 0.533 1.00 0.00 C ATOM 0 H PHE A 24 5.088 6.103 5.086 1.00 0.00 H new ATOM 0 HA PHE A 24 4.955 8.987 4.689 1.00 0.00 H new ATOM 0 HB2 PHE A 24 7.376 8.636 4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 24 7.227 7.282 3.603 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.621 10.954 3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 24 7.294 7.623 1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 24 6.862 12.479 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 24 7.530 9.146 -0.633 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.316 11.578 -0.308 1.00 0.00 H new ATOM 370 N VAL A 25 3.667 8.442 2.606 1.00 0.00 N ATOM 371 CA VAL A 25 2.839 8.095 1.452 1.00 0.00 C ATOM 372 C VAL A 25 2.685 9.286 0.511 1.00 0.00 C ATOM 373 O VAL A 25 2.520 10.426 0.949 1.00 0.00 O ATOM 374 CB VAL A 25 1.452 7.553 1.885 1.00 0.00 C ATOM 375 CG1 VAL A 25 1.052 8.121 3.223 1.00 0.00 C ATOM 376 CG2 VAL A 25 0.379 7.843 0.841 1.00 0.00 C ATOM 0 H VAL A 25 3.554 9.400 2.937 1.00 0.00 H new ATOM 0 HA VAL A 25 3.351 7.298 0.913 1.00 0.00 H new ATOM 0 HB VAL A 25 1.540 6.470 1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.076 7.728 3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.790 7.839 3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.000 9.208 3.156 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.577 7.447 1.183 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.295 8.920 0.695 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.652 7.370 -0.102 1.00 0.00 H new ATOM 386 N ASP A 26 2.767 9.001 -0.787 1.00 0.00 N ATOM 387 CA ASP A 26 2.655 10.013 -1.833 1.00 0.00 C ATOM 388 C ASP A 26 1.228 10.547 -1.939 1.00 0.00 C ATOM 389 O ASP A 26 0.256 9.831 -1.698 1.00 0.00 O ATOM 390 CB ASP A 26 3.085 9.409 -3.170 1.00 0.00 C ATOM 391 CG ASP A 26 3.083 10.419 -4.291 1.00 0.00 C ATOM 392 OD1 ASP A 26 4.113 11.095 -4.484 1.00 0.00 O ATOM 393 OD2 ASP A 26 2.054 10.546 -4.980 1.00 0.00 O ATOM 0 H ASP A 26 2.914 8.057 -1.143 1.00 0.00 H new ATOM 0 HA ASP A 26 3.307 10.848 -1.576 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.085 8.986 -3.069 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.416 8.587 -3.425 1.00 0.00 H new ATOM 398 N HIS A 27 1.125 11.818 -2.325 1.00 0.00 N ATOM 399 CA HIS A 27 -0.143 12.553 -2.326 1.00 0.00 C ATOM 400 C HIS A 27 -1.172 11.951 -3.280 1.00 0.00 C ATOM 401 O HIS A 27 -2.366 12.209 -3.144 1.00 0.00 O ATOM 402 CB HIS A 27 0.102 14.009 -2.716 1.00 0.00 C ATOM 403 CG HIS A 27 0.958 14.777 -1.752 1.00 0.00 C ATOM 404 ND1 HIS A 27 2.303 14.990 -1.951 1.00 0.00 N ATOM 405 CD2 HIS A 27 0.648 15.404 -0.594 1.00 0.00 C ATOM 406 CE1 HIS A 27 2.784 15.713 -0.959 1.00 0.00 C ATOM 407 NE2 HIS A 27 1.801 15.981 -0.121 1.00 0.00 N ATOM 0 H HIS A 27 1.920 12.370 -2.647 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.547 12.487 -1.316 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.572 14.034 -3.699 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -0.860 14.513 -2.810 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.325 15.443 -0.128 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.810 16.032 -0.851 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.884 16.527 0.737 1.00 0.00 H new ATOM 416 N ARG A 28 -0.719 11.154 -4.240 1.00 0.00 N ATOM 417 CA ARG A 28 -1.621 10.535 -5.213 1.00 0.00 C ATOM 418 C ARG A 28 -2.541 9.508 -4.547 1.00 0.00 C ATOM 419 O ARG A 28 -3.456 8.983 -5.181 1.00 0.00 O ATOM 420 CB ARG A 28 -0.821 9.880 -6.337 1.00 0.00 C ATOM 421 CG ARG A 28 -0.042 10.870 -7.189 1.00 0.00 C ATOM 422 CD ARG A 28 0.907 10.155 -8.131 1.00 0.00 C ATOM 423 NE ARG A 28 1.715 11.078 -8.924 1.00 0.00 N ATOM 424 CZ ARG A 28 2.914 11.523 -8.552 1.00 0.00 C ATOM 425 NH1 ARG A 28 3.374 11.274 -7.334 1.00 0.00 N ATOM 426 NH2 ARG A 28 3.629 12.255 -9.388 1.00 0.00 N ATOM 0 H ARG A 28 0.265 10.919 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.247 11.321 -5.635 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.126 9.160 -5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.502 9.320 -6.978 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.736 11.484 -7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.521 11.545 -6.544 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.565 9.506 -7.554 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.334 9.513 -8.800 1.00 0.00 H new ATOM 0 HE ARG A 28 1.339 11.401 -9.815 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.809 10.739 -6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.293 11.618 -7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.262 12.477 -10.314 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.548 12.598 -9.108 1.00 0.00 H new ATOM 440 N CYS A 29 -2.302 9.241 -3.264 1.00 0.00 N ATOM 441 CA CYS A 29 -3.122 8.317 -2.489 1.00 0.00 C ATOM 442 C CYS A 29 -4.593 8.716 -2.532 1.00 0.00 C ATOM 443 O CYS A 29 -5.479 7.869 -2.685 1.00 0.00 O ATOM 444 CB CYS A 29 -2.627 8.264 -1.045 1.00 0.00 C ATOM 445 SG CYS A 29 -3.535 7.113 0.004 1.00 0.00 S ATOM 0 H CYS A 29 -1.536 9.659 -2.736 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.032 7.326 -2.933 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.573 7.986 -1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.694 9.262 -0.613 1.00 0.00 H new ATOM 0 HG CYS A 29 -4.568 7.714 0.515 1.00 0.00 H new ATOM 451 N VAL A 30 -4.848 10.010 -2.431 1.00 0.00 N ATOM 452 CA VAL A 30 -6.210 10.517 -2.426 1.00 0.00 C ATOM 453 C VAL A 30 -6.869 10.233 -3.764 1.00 0.00 C ATOM 454 O VAL A 30 -8.047 9.884 -3.833 1.00 0.00 O ATOM 455 CB VAL A 30 -6.244 12.031 -2.161 1.00 0.00 C ATOM 456 CG1 VAL A 30 -7.667 12.513 -1.913 1.00 0.00 C ATOM 457 CG2 VAL A 30 -5.339 12.383 -0.996 1.00 0.00 C ATOM 0 H VAL A 30 -4.129 10.729 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.751 10.012 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.874 12.542 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -7.660 13.587 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -8.281 12.299 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.079 11.998 -1.045 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.374 13.458 -0.820 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.676 11.858 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.316 12.086 -1.227 1.00 0.00 H new ATOM 467 N ALA A 31 -6.083 10.348 -4.822 1.00 0.00 N ATOM 468 CA ALA A 31 -6.582 10.154 -6.168 1.00 0.00 C ATOM 469 C ALA A 31 -6.925 8.694 -6.418 1.00 0.00 C ATOM 470 O ALA A 31 -8.019 8.377 -6.888 1.00 0.00 O ATOM 471 CB ALA A 31 -5.554 10.635 -7.174 1.00 0.00 C ATOM 0 H ALA A 31 -5.090 10.576 -4.771 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.495 10.738 -6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.936 10.486 -8.184 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.356 11.695 -7.014 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.630 10.070 -7.049 1.00 0.00 H new ATOM 477 N THR A 32 -5.984 7.814 -6.110 1.00 0.00 N ATOM 478 CA THR A 32 -6.175 6.384 -6.268 1.00 0.00 C ATOM 479 C THR A 32 -7.353 5.852 -5.450 1.00 0.00 C ATOM 480 O THR A 32 -8.242 5.195 -5.992 1.00 0.00 O ATOM 481 CB THR A 32 -4.896 5.634 -5.855 1.00 0.00 C ATOM 482 OG1 THR A 32 -3.771 6.169 -6.559 1.00 0.00 O ATOM 483 CG2 THR A 32 -5.016 4.150 -6.151 1.00 0.00 C ATOM 0 H THR A 32 -5.068 8.073 -5.744 1.00 0.00 H new ATOM 0 HA THR A 32 -6.397 6.211 -7.321 1.00 0.00 H new ATOM 0 HB THR A 32 -4.757 5.765 -4.782 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.467 6.989 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.099 3.644 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 32 -5.858 3.735 -5.597 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.177 4.004 -7.219 1.00 0.00 H new ATOM 491 N VAL A 33 -7.375 6.139 -4.150 1.00 0.00 N ATOM 492 CA VAL A 33 -8.332 5.480 -3.268 1.00 0.00 C ATOM 493 C VAL A 33 -9.184 6.458 -2.465 1.00 0.00 C ATOM 494 O VAL A 33 -10.309 6.133 -2.090 1.00 0.00 O ATOM 495 CB VAL A 33 -7.630 4.504 -2.304 1.00 0.00 C ATOM 496 CG1 VAL A 33 -6.945 3.398 -3.085 1.00 0.00 C ATOM 497 CG2 VAL A 33 -6.632 5.228 -1.413 1.00 0.00 C ATOM 0 H VAL A 33 -6.756 6.808 -3.693 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.999 4.926 -3.928 1.00 0.00 H new ATOM 0 HB VAL A 33 -8.389 4.061 -1.659 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.453 2.715 -2.393 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.686 2.852 -3.668 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.203 3.832 -3.756 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.154 4.512 -0.745 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.874 5.709 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.152 5.983 -0.823 1.00 0.00 H new ATOM 507 N GLY A 34 -8.668 7.645 -2.188 1.00 0.00 N ATOM 508 CA GLY A 34 -9.452 8.588 -1.423 1.00 0.00 C ATOM 509 C GLY A 34 -8.788 9.016 -0.132 1.00 0.00 C ATOM 510 O GLY A 34 -9.136 10.053 0.436 1.00 0.00 O ATOM 0 H GLY A 34 -7.743 7.967 -2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.643 9.470 -2.034 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.420 8.143 -1.194 1.00 0.00 H new ATOM 514 N TYR A 35 -7.849 8.216 0.345 1.00 0.00 N ATOM 515 CA TYR A 35 -7.169 8.514 1.596 1.00 0.00 C ATOM 516 C TYR A 35 -6.070 9.523 1.378 1.00 0.00 C ATOM 517 O TYR A 35 -5.312 9.428 0.420 1.00 0.00 O ATOM 518 CB TYR A 35 -6.559 7.259 2.222 1.00 0.00 C ATOM 519 CG TYR A 35 -7.568 6.246 2.704 1.00 0.00 C ATOM 520 CD1 TYR A 35 -8.687 6.641 3.426 1.00 0.00 C ATOM 521 CD2 TYR A 35 -7.385 4.893 2.465 1.00 0.00 C ATOM 522 CE1 TYR A 35 -9.597 5.714 3.891 1.00 0.00 C ATOM 523 CE2 TYR A 35 -8.290 3.962 2.923 1.00 0.00 C ATOM 524 CZ TYR A 35 -9.393 4.376 3.638 1.00 0.00 C ATOM 525 OH TYR A 35 -10.296 3.447 4.099 1.00 0.00 O ATOM 0 H TYR A 35 -7.540 7.358 -0.112 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.921 8.919 2.273 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.907 6.783 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.931 7.556 3.062 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.847 7.690 3.626 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.519 4.564 1.911 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -10.463 6.036 4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.136 2.912 2.723 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.924 2.990 4.882 1.00 0.00 H new ATOM 535 N GLN A 36 -5.989 10.479 2.271 1.00 0.00 N ATOM 536 CA GLN A 36 -4.892 11.419 2.259 1.00 0.00 C ATOM 537 C GLN A 36 -3.658 10.738 2.824 1.00 0.00 C ATOM 538 O GLN A 36 -3.786 9.852 3.670 1.00 0.00 O ATOM 539 CB GLN A 36 -5.224 12.654 3.105 1.00 0.00 C ATOM 540 CG GLN A 36 -6.365 13.502 2.568 1.00 0.00 C ATOM 541 CD GLN A 36 -5.902 14.522 1.548 1.00 0.00 C ATOM 542 OE1 GLN A 36 -4.772 15.005 1.613 1.00 0.00 O ATOM 543 NE2 GLN A 36 -6.770 14.865 0.610 1.00 0.00 N ATOM 0 H GLN A 36 -6.669 10.628 3.016 1.00 0.00 H new ATOM 0 HA GLN A 36 -4.712 11.742 1.234 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.474 12.329 4.115 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.332 13.276 3.182 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.113 12.852 2.113 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.851 14.017 3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.697 14.440 0.593 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.512 15.555 -0.096 1.00 0.00 H new ATOM 552 N PRO A 37 -2.454 11.117 2.371 1.00 0.00 N ATOM 553 CA PRO A 37 -1.210 10.591 2.936 1.00 0.00 C ATOM 554 C PRO A 37 -1.231 10.660 4.460 1.00 0.00 C ATOM 555 O PRO A 37 -0.873 9.706 5.153 1.00 0.00 O ATOM 556 CB PRO A 37 -0.149 11.532 2.370 1.00 0.00 C ATOM 557 CG PRO A 37 -0.719 12.003 1.077 1.00 0.00 C ATOM 558 CD PRO A 37 -2.208 12.071 1.272 1.00 0.00 C ATOM 0 HA PRO A 37 -1.037 9.544 2.687 1.00 0.00 H new ATOM 0 HB2 PRO A 37 0.044 12.365 3.046 1.00 0.00 H new ATOM 0 HB3 PRO A 37 0.800 11.017 2.221 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.317 12.980 0.808 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.464 11.319 0.267 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.533 13.078 1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.745 11.788 0.367 1.00 0.00 H new ATOM 566 N GLN A 38 -1.716 11.791 4.957 1.00 0.00 N ATOM 567 CA GLN A 38 -1.817 12.044 6.388 1.00 0.00 C ATOM 568 C GLN A 38 -2.626 10.947 7.081 1.00 0.00 C ATOM 569 O GLN A 38 -2.239 10.456 8.141 1.00 0.00 O ATOM 570 CB GLN A 38 -2.493 13.399 6.626 1.00 0.00 C ATOM 571 CG GLN A 38 -1.888 14.544 5.829 1.00 0.00 C ATOM 572 CD GLN A 38 -0.463 14.868 6.240 1.00 0.00 C ATOM 573 OE1 GLN A 38 -0.235 15.665 7.148 1.00 0.00 O ATOM 574 NE2 GLN A 38 0.504 14.268 5.563 1.00 0.00 N ATOM 0 H GLN A 38 -2.051 12.560 4.377 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.810 12.052 6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.550 13.314 6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.436 13.640 7.688 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.905 14.290 4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.507 15.433 5.954 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.273 13.613 4.816 1.00 0.00 H new ATOM 0 HE22 GLN A 38 1.480 14.461 5.788 1.00 0.00 H new ATOM 583 N GLU A 39 -3.724 10.541 6.444 1.00 0.00 N ATOM 584 CA GLU A 39 -4.693 9.641 7.062 1.00 0.00 C ATOM 585 C GLU A 39 -4.125 8.240 7.218 1.00 0.00 C ATOM 586 O GLU A 39 -4.567 7.474 8.076 1.00 0.00 O ATOM 587 CB GLU A 39 -5.985 9.599 6.238 1.00 0.00 C ATOM 588 CG GLU A 39 -6.607 10.969 6.026 1.00 0.00 C ATOM 589 CD GLU A 39 -7.951 10.901 5.336 1.00 0.00 C ATOM 590 OE1 GLU A 39 -7.992 10.690 4.106 1.00 0.00 O ATOM 591 OE2 GLU A 39 -8.979 11.075 6.022 1.00 0.00 O ATOM 0 H GLU A 39 -3.964 10.824 5.494 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.919 10.026 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.775 9.149 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.706 8.954 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.723 11.464 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.929 11.583 5.433 1.00 0.00 H new ATOM 598 N LEU A 40 -3.144 7.908 6.394 1.00 0.00 N ATOM 599 CA LEU A 40 -2.528 6.593 6.445 1.00 0.00 C ATOM 600 C LEU A 40 -1.402 6.543 7.471 1.00 0.00 C ATOM 601 O LEU A 40 -1.085 5.476 7.996 1.00 0.00 O ATOM 602 CB LEU A 40 -1.987 6.206 5.068 1.00 0.00 C ATOM 603 CG LEU A 40 -3.040 5.997 3.981 1.00 0.00 C ATOM 604 CD1 LEU A 40 -2.380 5.543 2.691 1.00 0.00 C ATOM 605 CD2 LEU A 40 -4.081 4.982 4.427 1.00 0.00 C ATOM 0 H LEU A 40 -2.758 8.530 5.683 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.297 5.881 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.298 6.983 4.737 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.408 5.288 5.170 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.543 6.947 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.141 5.398 1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.671 6.301 2.359 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.854 4.604 2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.821 4.849 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.595 4.029 4.633 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.575 5.340 5.330 1.00 0.00 H new ATOM 617 N LEU A 41 -0.796 7.694 7.749 1.00 0.00 N ATOM 618 CA LEU A 41 0.348 7.752 8.655 1.00 0.00 C ATOM 619 C LEU A 41 -0.041 7.309 10.064 1.00 0.00 C ATOM 620 O LEU A 41 -0.720 8.031 10.797 1.00 0.00 O ATOM 621 CB LEU A 41 0.946 9.160 8.693 1.00 0.00 C ATOM 622 CG LEU A 41 1.332 9.742 7.334 1.00 0.00 C ATOM 623 CD1 LEU A 41 1.922 11.132 7.500 1.00 0.00 C ATOM 624 CD2 LEU A 41 2.316 8.826 6.624 1.00 0.00 C ATOM 0 H LEU A 41 -1.076 8.595 7.362 1.00 0.00 H new ATOM 0 HA LEU A 41 1.102 7.064 8.274 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.227 9.830 9.166 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.832 9.144 9.328 1.00 0.00 H new ATOM 0 HG LEU A 41 0.433 9.821 6.723 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.192 11.532 6.523 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.187 11.786 7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.812 11.077 8.127 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.581 9.255 5.658 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.215 8.717 7.231 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.859 7.848 6.474 1.00 0.00 H new ATOM 636 N GLY A 42 0.402 6.115 10.435 1.00 0.00 N ATOM 637 CA GLY A 42 0.083 5.574 11.740 1.00 0.00 C ATOM 638 C GLY A 42 -0.894 4.420 11.652 1.00 0.00 C ATOM 639 O GLY A 42 -1.115 3.704 12.627 1.00 0.00 O ATOM 0 H GLY A 42 0.979 5.509 9.852 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.998 5.238 12.227 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.340 6.360 12.365 1.00 0.00 H new ATOM 643 N LYS A 43 -1.475 4.238 10.474 1.00 0.00 N ATOM 644 CA LYS A 43 -2.450 3.186 10.246 1.00 0.00 C ATOM 645 C LYS A 43 -1.833 2.058 9.433 1.00 0.00 C ATOM 646 O LYS A 43 -0.801 2.239 8.782 1.00 0.00 O ATOM 647 CB LYS A 43 -3.659 3.756 9.504 1.00 0.00 C ATOM 648 CG LYS A 43 -4.417 4.828 10.274 1.00 0.00 C ATOM 649 CD LYS A 43 -5.444 4.232 11.233 1.00 0.00 C ATOM 650 CE LYS A 43 -4.788 3.555 12.427 1.00 0.00 C ATOM 651 NZ LYS A 43 -5.786 2.909 13.320 1.00 0.00 N ATOM 0 H LYS A 43 -1.283 4.814 9.654 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.769 2.789 11.209 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.324 4.175 8.555 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.344 2.941 9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.710 5.438 10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.921 5.490 9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.111 5.020 11.585 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.060 3.508 10.700 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.079 2.806 12.074 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.218 4.292 12.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.297 2.460 14.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.448 3.627 13.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.313 2.188 12.787 1.00 0.00 H new ATOM 665 N ASN A 44 -2.460 0.892 9.487 1.00 0.00 N ATOM 666 CA ASN A 44 -1.991 -0.267 8.744 1.00 0.00 C ATOM 667 C ASN A 44 -2.748 -0.394 7.430 1.00 0.00 C ATOM 668 O ASN A 44 -3.959 -0.191 7.376 1.00 0.00 O ATOM 669 CB ASN A 44 -2.201 -1.540 9.574 1.00 0.00 C ATOM 670 CG ASN A 44 -1.315 -2.686 9.118 1.00 0.00 C ATOM 671 OD1 ASN A 44 -1.031 -2.836 7.932 1.00 0.00 O ATOM 672 ND2 ASN A 44 -0.868 -3.504 10.058 1.00 0.00 N ATOM 0 H ASN A 44 -3.300 0.724 10.041 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.929 -0.138 8.535 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.998 -1.323 10.623 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.246 -1.844 9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.267 -4.289 9.807 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.124 -3.349 11.033 1.00 0.00 H new ATOM 679 N ILE A 45 -2.020 -0.735 6.371 1.00 0.00 N ATOM 680 CA ILE A 45 -2.623 -1.003 5.069 1.00 0.00 C ATOM 681 C ILE A 45 -3.569 -2.201 5.160 1.00 0.00 C ATOM 682 O ILE A 45 -4.506 -2.327 4.379 1.00 0.00 O ATOM 683 CB ILE A 45 -1.538 -1.267 3.994 1.00 0.00 C ATOM 684 CG1 ILE A 45 -2.171 -1.451 2.610 1.00 0.00 C ATOM 685 CG2 ILE A 45 -0.691 -2.480 4.363 1.00 0.00 C ATOM 686 CD1 ILE A 45 -1.159 -1.635 1.498 1.00 0.00 C ATOM 0 H ILE A 45 -1.005 -0.833 6.390 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.190 -0.120 4.773 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.886 -0.395 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.832 -2.317 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.791 -0.583 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.063 -2.645 3.593 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.200 -2.303 5.320 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.330 -3.360 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.680 -1.759 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.513 -0.759 1.445 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.555 -2.520 1.699 1.00 0.00 H new ATOM 698 N VAL A 46 -3.320 -3.067 6.142 1.00 0.00 N ATOM 699 CA VAL A 46 -4.160 -4.229 6.380 1.00 0.00 C ATOM 700 C VAL A 46 -5.516 -3.802 6.954 1.00 0.00 C ATOM 701 O VAL A 46 -6.522 -4.485 6.778 1.00 0.00 O ATOM 702 CB VAL A 46 -3.457 -5.219 7.336 1.00 0.00 C ATOM 703 CG1 VAL A 46 -4.333 -6.425 7.633 1.00 0.00 C ATOM 704 CG2 VAL A 46 -2.128 -5.671 6.749 1.00 0.00 C ATOM 0 H VAL A 46 -2.535 -2.980 6.788 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.330 -4.731 5.428 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.274 -4.697 8.275 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.807 -7.100 8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.261 -6.095 8.100 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.561 -6.947 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.646 -6.368 7.435 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.302 -6.164 5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.483 -4.805 6.599 1.00 0.00 H new ATOM 714 N GLU A 47 -5.539 -2.651 7.616 1.00 0.00 N ATOM 715 CA GLU A 47 -6.775 -2.108 8.168 1.00 0.00 C ATOM 716 C GLU A 47 -7.719 -1.687 7.055 1.00 0.00 C ATOM 717 O GLU A 47 -8.933 -1.884 7.136 1.00 0.00 O ATOM 718 CB GLU A 47 -6.468 -0.904 9.054 1.00 0.00 C ATOM 719 CG GLU A 47 -5.794 -1.266 10.362 1.00 0.00 C ATOM 720 CD GLU A 47 -6.720 -2.014 11.289 1.00 0.00 C ATOM 721 OE1 GLU A 47 -7.479 -1.353 12.030 1.00 0.00 O ATOM 722 OE2 GLU A 47 -6.694 -3.259 11.284 1.00 0.00 O ATOM 0 H GLU A 47 -4.714 -2.075 7.784 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.254 -2.886 8.763 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.828 -0.214 8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.397 -0.376 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.914 -1.876 10.159 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.446 -0.358 10.853 1.00 0.00 H new ATOM 729 N PHE A 48 -7.152 -1.112 6.010 1.00 0.00 N ATOM 730 CA PHE A 48 -7.936 -0.634 4.889 1.00 0.00 C ATOM 731 C PHE A 48 -7.885 -1.636 3.747 1.00 0.00 C ATOM 732 O PHE A 48 -8.147 -1.302 2.594 1.00 0.00 O ATOM 733 CB PHE A 48 -7.421 0.729 4.436 1.00 0.00 C ATOM 734 CG PHE A 48 -7.281 1.710 5.565 1.00 0.00 C ATOM 735 CD1 PHE A 48 -8.392 2.150 6.265 1.00 0.00 C ATOM 736 CD2 PHE A 48 -6.033 2.187 5.932 1.00 0.00 C ATOM 737 CE1 PHE A 48 -8.264 3.045 7.309 1.00 0.00 C ATOM 738 CE2 PHE A 48 -5.899 3.084 6.975 1.00 0.00 C ATOM 739 CZ PHE A 48 -7.015 3.513 7.665 1.00 0.00 C ATOM 0 H PHE A 48 -6.147 -0.965 5.916 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.975 -0.525 5.202 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.453 0.602 3.950 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.101 1.138 3.689 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.372 1.788 5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.156 1.854 5.397 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.140 3.378 7.846 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.921 3.449 7.250 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.911 4.213 8.481 1.00 0.00 H new ATOM 749 N CYS A 49 -7.528 -2.864 4.085 1.00 0.00 N ATOM 750 CA CYS A 49 -7.498 -3.947 3.121 1.00 0.00 C ATOM 751 C CYS A 49 -8.791 -4.751 3.183 1.00 0.00 C ATOM 752 O CYS A 49 -9.361 -4.939 4.264 1.00 0.00 O ATOM 753 CB CYS A 49 -6.310 -4.866 3.400 1.00 0.00 C ATOM 754 SG CYS A 49 -6.218 -6.298 2.303 1.00 0.00 S ATOM 0 H CYS A 49 -7.253 -3.135 5.029 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.395 -3.518 2.124 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -5.389 -4.291 3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.367 -5.214 4.431 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.715 -5.937 1.160 1.00 0.00 H new ATOM 760 N HIS A 50 -9.257 -5.188 2.014 1.00 0.00 N ATOM 761 CA HIS A 50 -10.389 -6.106 1.910 1.00 0.00 C ATOM 762 C HIS A 50 -10.206 -7.265 2.885 1.00 0.00 C ATOM 763 O HIS A 50 -9.152 -7.893 2.889 1.00 0.00 O ATOM 764 CB HIS A 50 -10.500 -6.628 0.467 1.00 0.00 C ATOM 765 CG HIS A 50 -11.675 -7.523 0.212 1.00 0.00 C ATOM 766 ND1 HIS A 50 -11.552 -8.853 -0.127 1.00 0.00 N ATOM 767 CD2 HIS A 50 -13.002 -7.267 0.239 1.00 0.00 C ATOM 768 CE1 HIS A 50 -12.751 -9.375 -0.297 1.00 0.00 C ATOM 769 NE2 HIS A 50 -13.649 -8.434 -0.079 1.00 0.00 N ATOM 0 H HIS A 50 -8.861 -4.916 1.114 1.00 0.00 H new ATOM 0 HA HIS A 50 -11.309 -5.580 2.165 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -10.557 -5.775 -0.210 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -9.587 -7.171 0.220 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -10.670 -9.356 -0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -13.467 -6.319 0.468 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -12.962 -10.399 -0.569 1.00 0.00 H new ATOM 778 N PRO A 51 -11.213 -7.544 3.730 1.00 0.00 N ATOM 779 CA PRO A 51 -11.089 -8.474 4.866 1.00 0.00 C ATOM 780 C PRO A 51 -10.451 -9.811 4.494 1.00 0.00 C ATOM 781 O PRO A 51 -9.553 -10.297 5.185 1.00 0.00 O ATOM 782 CB PRO A 51 -12.541 -8.687 5.324 1.00 0.00 C ATOM 783 CG PRO A 51 -13.394 -8.058 4.272 1.00 0.00 C ATOM 784 CD PRO A 51 -12.561 -6.973 3.663 1.00 0.00 C ATOM 0 HA PRO A 51 -10.434 -8.064 5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.767 -9.748 5.428 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.716 -8.227 6.297 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -13.692 -8.790 3.521 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -14.310 -7.653 4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -12.861 -6.756 2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.636 -6.040 4.221 1.00 0.00 H new ATOM 792 N GLU A 52 -10.885 -10.370 3.378 1.00 0.00 N ATOM 793 CA GLU A 52 -10.423 -11.680 2.934 1.00 0.00 C ATOM 794 C GLU A 52 -9.026 -11.600 2.317 1.00 0.00 C ATOM 795 O GLU A 52 -8.420 -12.620 1.990 1.00 0.00 O ATOM 796 CB GLU A 52 -11.420 -12.249 1.932 1.00 0.00 C ATOM 797 CG GLU A 52 -12.838 -12.335 2.478 1.00 0.00 C ATOM 798 CD GLU A 52 -13.853 -12.731 1.427 1.00 0.00 C ATOM 799 OE1 GLU A 52 -14.345 -11.841 0.703 1.00 0.00 O ATOM 800 OE2 GLU A 52 -14.175 -13.930 1.330 1.00 0.00 O ATOM 0 H GLU A 52 -11.564 -9.934 2.754 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.357 -12.340 3.799 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.420 -11.628 1.037 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -11.093 -13.244 1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.865 -13.059 3.292 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.118 -11.370 2.900 1.00 0.00 H new ATOM 807 N ASP A 53 -8.507 -10.382 2.183 1.00 0.00 N ATOM 808 CA ASP A 53 -7.224 -10.159 1.524 1.00 0.00 C ATOM 809 C ASP A 53 -6.198 -9.721 2.559 1.00 0.00 C ATOM 810 O ASP A 53 -5.018 -9.567 2.256 1.00 0.00 O ATOM 811 CB ASP A 53 -7.319 -9.065 0.439 1.00 0.00 C ATOM 812 CG ASP A 53 -8.436 -9.261 -0.572 1.00 0.00 C ATOM 813 OD1 ASP A 53 -9.289 -10.149 -0.381 1.00 0.00 O ATOM 814 OD2 ASP A 53 -8.488 -8.491 -1.551 1.00 0.00 O ATOM 0 H ASP A 53 -8.957 -9.532 2.523 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.929 -11.094 1.049 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.456 -8.100 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.370 -9.020 -0.095 1.00 0.00 H new ATOM 819 N GLN A 54 -6.659 -9.526 3.790 1.00 0.00 N ATOM 820 CA GLN A 54 -5.814 -8.979 4.845 1.00 0.00 C ATOM 821 C GLN A 54 -4.671 -9.932 5.184 1.00 0.00 C ATOM 822 O GLN A 54 -3.550 -9.501 5.459 1.00 0.00 O ATOM 823 CB GLN A 54 -6.655 -8.663 6.087 1.00 0.00 C ATOM 824 CG GLN A 54 -7.765 -7.654 5.815 1.00 0.00 C ATOM 825 CD GLN A 54 -8.566 -7.287 7.034 1.00 0.00 C ATOM 826 OE1 GLN A 54 -8.711 -8.073 7.972 1.00 0.00 O ATOM 827 NE2 GLN A 54 -9.108 -6.082 7.018 1.00 0.00 N ATOM 0 H GLN A 54 -7.613 -9.739 4.082 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.370 -8.051 4.484 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.095 -9.586 6.465 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -6.004 -8.276 6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.325 -6.749 5.395 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.437 -8.062 5.060 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.959 -5.467 6.218 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.675 -5.767 7.805 1.00 0.00 H new ATOM 836 N GLN A 55 -4.947 -11.231 5.144 1.00 0.00 N ATOM 837 CA GLN A 55 -3.903 -12.230 5.341 1.00 0.00 C ATOM 838 C GLN A 55 -3.038 -12.339 4.097 1.00 0.00 C ATOM 839 O GLN A 55 -1.849 -12.643 4.178 1.00 0.00 O ATOM 840 CB GLN A 55 -4.509 -13.589 5.686 1.00 0.00 C ATOM 841 CG GLN A 55 -5.021 -13.667 7.113 1.00 0.00 C ATOM 842 CD GLN A 55 -3.935 -13.438 8.156 1.00 0.00 C ATOM 843 OE1 GLN A 55 -4.194 -12.856 9.207 1.00 0.00 O ATOM 844 NE2 GLN A 55 -2.726 -13.926 7.904 1.00 0.00 N ATOM 0 H GLN A 55 -5.877 -11.615 4.978 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.279 -11.913 6.177 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -5.329 -13.799 5.000 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.759 -14.364 5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.809 -12.926 7.250 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.472 -14.646 7.277 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.543 -14.404 7.022 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.981 -13.823 8.593 1.00 0.00 H new ATOM 853 N LEU A 56 -3.646 -12.073 2.950 1.00 0.00 N ATOM 854 CA LEU A 56 -2.946 -12.084 1.674 1.00 0.00 C ATOM 855 C LEU A 56 -1.867 -11.004 1.650 1.00 0.00 C ATOM 856 O LEU A 56 -0.761 -11.231 1.158 1.00 0.00 O ATOM 857 CB LEU A 56 -3.959 -11.902 0.533 1.00 0.00 C ATOM 858 CG LEU A 56 -3.382 -11.591 -0.848 1.00 0.00 C ATOM 859 CD1 LEU A 56 -4.193 -12.289 -1.926 1.00 0.00 C ATOM 860 CD2 LEU A 56 -3.385 -10.089 -1.091 1.00 0.00 C ATOM 0 H LEU A 56 -4.637 -11.844 2.878 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.447 -13.043 1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.554 -12.812 0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.641 -11.097 0.807 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.355 -11.955 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -3.771 -12.059 -2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.164 -13.366 -1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.226 -11.943 -1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.972 -9.879 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.407 -9.714 -1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.778 -9.596 -0.331 1.00 0.00 H new ATOM 872 N LEU A 57 -2.185 -9.838 2.198 1.00 0.00 N ATOM 873 CA LEU A 57 -1.208 -8.761 2.312 1.00 0.00 C ATOM 874 C LEU A 57 -0.106 -9.128 3.288 1.00 0.00 C ATOM 875 O LEU A 57 1.067 -8.931 2.998 1.00 0.00 O ATOM 876 CB LEU A 57 -1.862 -7.450 2.743 1.00 0.00 C ATOM 877 CG LEU A 57 -2.651 -6.721 1.655 1.00 0.00 C ATOM 878 CD1 LEU A 57 -3.002 -5.315 2.115 1.00 0.00 C ATOM 879 CD2 LEU A 57 -1.856 -6.675 0.360 1.00 0.00 C ATOM 0 H LEU A 57 -3.108 -9.614 2.569 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.774 -8.619 1.322 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.532 -7.655 3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.085 -6.781 3.114 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.575 -7.268 1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.564 -4.806 1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.608 -5.369 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.087 -4.761 2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.433 -6.153 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.917 -6.149 0.528 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.647 -7.691 0.025 1.00 0.00 H new ATOM 891 N ARG A 58 -0.477 -9.670 4.439 1.00 0.00 N ATOM 892 CA ARG A 58 0.516 -10.053 5.433 1.00 0.00 C ATOM 893 C ARG A 58 1.491 -11.062 4.856 1.00 0.00 C ATOM 894 O ARG A 58 2.698 -10.907 4.990 1.00 0.00 O ATOM 895 CB ARG A 58 -0.140 -10.632 6.684 1.00 0.00 C ATOM 896 CG ARG A 58 -0.822 -9.589 7.548 1.00 0.00 C ATOM 897 CD ARG A 58 -1.366 -10.199 8.826 1.00 0.00 C ATOM 898 NE ARG A 58 -1.909 -9.178 9.723 1.00 0.00 N ATOM 899 CZ ARG A 58 -3.146 -9.193 10.217 1.00 0.00 C ATOM 900 NH1 ARG A 58 -3.968 -10.201 9.944 1.00 0.00 N ATOM 901 NH2 ARG A 58 -3.556 -8.206 11.001 1.00 0.00 N ATOM 0 H ARG A 58 -1.444 -9.853 4.706 1.00 0.00 H new ATOM 0 HA ARG A 58 1.058 -9.150 5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -0.873 -11.381 6.386 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.617 -11.145 7.277 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.114 -8.798 7.793 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.635 -9.126 6.989 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.145 -10.921 8.582 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.572 -10.746 9.335 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.300 -8.404 9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.653 -10.970 9.353 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.914 -10.206 10.326 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.925 -7.437 11.225 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.503 -8.216 11.380 1.00 0.00 H new ATOM 915 N ASP A 59 0.953 -12.074 4.191 1.00 0.00 N ATOM 916 CA ASP A 59 1.762 -13.150 3.634 1.00 0.00 C ATOM 917 C ASP A 59 2.708 -12.634 2.549 1.00 0.00 C ATOM 918 O ASP A 59 3.888 -12.979 2.524 1.00 0.00 O ATOM 919 CB ASP A 59 0.855 -14.245 3.072 1.00 0.00 C ATOM 920 CG ASP A 59 1.627 -15.469 2.626 1.00 0.00 C ATOM 921 OD1 ASP A 59 2.313 -16.083 3.471 1.00 0.00 O ATOM 922 OD2 ASP A 59 1.545 -15.831 1.436 1.00 0.00 O ATOM 0 H ASP A 59 -0.048 -12.173 4.023 1.00 0.00 H new ATOM 0 HA ASP A 59 2.373 -13.565 4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.129 -14.535 3.831 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.292 -13.847 2.227 1.00 0.00 H new ATOM 927 N SER A 60 2.190 -11.780 1.676 1.00 0.00 N ATOM 928 CA SER A 60 2.970 -11.248 0.563 1.00 0.00 C ATOM 929 C SER A 60 4.021 -10.266 1.047 1.00 0.00 C ATOM 930 O SER A 60 5.192 -10.341 0.669 1.00 0.00 O ATOM 931 CB SER A 60 2.039 -10.562 -0.427 1.00 0.00 C ATOM 932 OG SER A 60 1.262 -9.560 0.200 1.00 0.00 O ATOM 0 H SER A 60 1.230 -11.439 1.716 1.00 0.00 H new ATOM 0 HA SER A 60 3.483 -12.077 0.075 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.625 -10.119 -1.232 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.381 -11.302 -0.882 1.00 0.00 H new ATOM 0 HG SER A 60 0.480 -9.970 0.625 1.00 0.00 H new ATOM 938 N PHE A 61 3.587 -9.356 1.897 1.00 0.00 N ATOM 939 CA PHE A 61 4.458 -8.308 2.410 1.00 0.00 C ATOM 940 C PHE A 61 5.573 -8.896 3.255 1.00 0.00 C ATOM 941 O PHE A 61 6.705 -8.422 3.219 1.00 0.00 O ATOM 942 CB PHE A 61 3.676 -7.277 3.226 1.00 0.00 C ATOM 943 CG PHE A 61 2.930 -6.272 2.392 1.00 0.00 C ATOM 944 CD1 PHE A 61 3.532 -5.682 1.293 1.00 0.00 C ATOM 945 CD2 PHE A 61 1.630 -5.915 2.710 1.00 0.00 C ATOM 946 CE1 PHE A 61 2.852 -4.753 0.528 1.00 0.00 C ATOM 947 CE2 PHE A 61 0.946 -4.987 1.949 1.00 0.00 C ATOM 948 CZ PHE A 61 1.558 -4.405 0.857 1.00 0.00 C ATOM 0 H PHE A 61 2.631 -9.319 2.251 1.00 0.00 H new ATOM 0 HA PHE A 61 4.895 -7.802 1.549 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.966 -7.800 3.867 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.368 -6.748 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.545 -5.951 1.031 1.00 0.00 H new ATOM 0 HD2 PHE A 61 1.146 -6.367 3.563 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.333 -4.300 -0.326 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.067 -4.717 2.208 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.025 -3.679 0.261 1.00 0.00 H new ATOM 958 N GLN A 62 5.272 -9.939 4.003 1.00 0.00 N ATOM 959 CA GLN A 62 6.288 -10.558 4.822 1.00 0.00 C ATOM 960 C GLN A 62 7.250 -11.354 3.949 1.00 0.00 C ATOM 961 O GLN A 62 8.412 -11.539 4.302 1.00 0.00 O ATOM 962 CB GLN A 62 5.669 -11.439 5.906 1.00 0.00 C ATOM 963 CG GLN A 62 4.991 -12.700 5.402 1.00 0.00 C ATOM 964 CD GLN A 62 4.551 -13.610 6.529 1.00 0.00 C ATOM 965 OE1 GLN A 62 5.173 -13.652 7.590 1.00 0.00 O ATOM 966 NE2 GLN A 62 3.473 -14.342 6.309 1.00 0.00 N ATOM 0 H GLN A 62 4.348 -10.368 4.059 1.00 0.00 H new ATOM 0 HA GLN A 62 6.848 -9.771 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.450 -11.722 6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.938 -10.849 6.459 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.124 -12.427 4.800 1.00 0.00 H new ATOM 0 HG3 GLN A 62 5.676 -13.241 4.749 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.986 -14.277 5.415 1.00 0.00 H new ATOM 0 HE22 GLN A 62 3.128 -14.972 7.033 1.00 0.00 H new ATOM 975 N GLN A 63 6.776 -11.806 2.791 1.00 0.00 N ATOM 976 CA GLN A 63 7.634 -12.521 1.865 1.00 0.00 C ATOM 977 C GLN A 63 8.553 -11.579 1.113 1.00 0.00 C ATOM 978 O GLN A 63 9.644 -11.973 0.728 1.00 0.00 O ATOM 979 CB GLN A 63 6.824 -13.374 0.897 1.00 0.00 C ATOM 980 CG GLN A 63 6.352 -14.659 1.542 1.00 0.00 C ATOM 981 CD GLN A 63 5.477 -15.501 0.644 1.00 0.00 C ATOM 982 OE1 GLN A 63 5.587 -15.467 -0.583 1.00 0.00 O ATOM 983 NE2 GLN A 63 4.616 -16.285 1.263 1.00 0.00 N ATOM 0 H GLN A 63 5.812 -11.689 2.478 1.00 0.00 H new ATOM 0 HA GLN A 63 8.257 -13.189 2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.963 -12.806 0.545 1.00 0.00 H new ATOM 0 HB3 GLN A 63 7.431 -13.608 0.022 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.220 -15.245 1.842 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.800 -14.418 2.451 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.561 -16.279 2.282 1.00 0.00 H new ATOM 0 HE22 GLN A 63 4.005 -16.898 0.723 1.00 0.00 H new ATOM 992 N VAL A 64 8.139 -10.333 0.902 1.00 0.00 N ATOM 993 CA VAL A 64 9.052 -9.368 0.310 1.00 0.00 C ATOM 994 C VAL A 64 10.124 -8.997 1.330 1.00 0.00 C ATOM 995 O VAL A 64 11.249 -8.644 0.967 1.00 0.00 O ATOM 996 CB VAL A 64 8.351 -8.095 -0.234 1.00 0.00 C ATOM 997 CG1 VAL A 64 7.882 -7.175 0.880 1.00 0.00 C ATOM 998 CG2 VAL A 64 9.282 -7.349 -1.174 1.00 0.00 C ATOM 0 H VAL A 64 7.209 -9.978 1.124 1.00 0.00 H new ATOM 0 HA VAL A 64 9.503 -9.847 -0.559 1.00 0.00 H new ATOM 0 HB VAL A 64 7.465 -8.419 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.398 -6.299 0.449 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.173 -7.705 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.738 -6.860 1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.781 -6.457 -1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.185 -7.058 -0.637 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.549 -7.995 -2.010 1.00 0.00 H new ATOM 1008 N VAL A 65 9.780 -9.113 2.612 1.00 0.00 N ATOM 1009 CA VAL A 65 10.755 -8.936 3.680 1.00 0.00 C ATOM 1010 C VAL A 65 11.702 -10.133 3.712 1.00 0.00 C ATOM 1011 O VAL A 65 12.858 -10.020 4.110 1.00 0.00 O ATOM 1012 CB VAL A 65 10.074 -8.770 5.060 1.00 0.00 C ATOM 1013 CG1 VAL A 65 11.110 -8.563 6.158 1.00 0.00 C ATOM 1014 CG2 VAL A 65 9.092 -7.608 5.037 1.00 0.00 C ATOM 0 H VAL A 65 8.836 -9.328 2.933 1.00 0.00 H new ATOM 0 HA VAL A 65 11.314 -8.023 3.475 1.00 0.00 H new ATOM 0 HB VAL A 65 9.525 -9.687 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 65 10.605 -8.449 7.117 1.00 0.00 H new ATOM 0 HG12 VAL A 65 11.775 -9.426 6.198 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.692 -7.666 5.945 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.624 -7.508 6.016 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.623 -6.688 4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.325 -7.795 4.285 1.00 0.00 H new ATOM 1024 N LYS A 66 11.202 -11.279 3.283 1.00 0.00 N ATOM 1025 CA LYS A 66 12.020 -12.477 3.171 1.00 0.00 C ATOM 1026 C LYS A 66 12.875 -12.430 1.903 1.00 0.00 C ATOM 1027 O LYS A 66 14.030 -12.856 1.906 1.00 0.00 O ATOM 1028 CB LYS A 66 11.134 -13.727 3.175 1.00 0.00 C ATOM 1029 CG LYS A 66 10.408 -13.954 4.491 1.00 0.00 C ATOM 1030 CD LYS A 66 9.609 -15.247 4.469 1.00 0.00 C ATOM 1031 CE LYS A 66 10.521 -16.452 4.302 1.00 0.00 C ATOM 1032 NZ LYS A 66 9.762 -17.723 4.207 1.00 0.00 N ATOM 0 H LYS A 66 10.229 -11.406 3.005 1.00 0.00 H new ATOM 0 HA LYS A 66 12.688 -12.521 4.031 1.00 0.00 H new ATOM 0 HB2 LYS A 66 10.399 -13.644 2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.749 -14.599 2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.131 -13.985 5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.740 -13.115 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.041 -15.343 5.394 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.887 -15.218 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.127 -16.325 3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.209 -16.504 5.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.425 -18.516 4.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.204 -17.859 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.124 -17.686 3.386 1.00 0.00 H new ATOM 1046 N LEU A 67 12.298 -11.911 0.823 1.00 0.00 N ATOM 1047 CA LEU A 67 13.003 -11.779 -0.447 1.00 0.00 C ATOM 1048 C LEU A 67 14.121 -10.747 -0.349 1.00 0.00 C ATOM 1049 O LEU A 67 15.267 -11.033 -0.699 1.00 0.00 O ATOM 1050 CB LEU A 67 12.029 -11.383 -1.563 1.00 0.00 C ATOM 1051 CG LEU A 67 11.019 -12.458 -1.962 1.00 0.00 C ATOM 1052 CD1 LEU A 67 10.121 -11.950 -3.077 1.00 0.00 C ATOM 1053 CD2 LEU A 67 11.731 -13.737 -2.383 1.00 0.00 C ATOM 0 H LEU A 67 11.336 -11.573 0.803 1.00 0.00 H new ATOM 0 HA LEU A 67 13.445 -12.747 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 67 11.483 -10.494 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 67 12.606 -11.106 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 67 10.398 -12.687 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.407 -12.726 -3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.583 -11.065 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.728 -11.693 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.993 -14.489 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 67 12.379 -13.529 -3.235 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.331 -14.109 -1.553 1.00 0.00 H new ATOM 1065 N LYS A 68 13.769 -9.559 0.129 1.00 0.00 N ATOM 1066 CA LYS A 68 14.718 -8.460 0.303 1.00 0.00 C ATOM 1067 C LYS A 68 15.328 -8.013 -1.021 1.00 0.00 C ATOM 1068 O LYS A 68 16.257 -8.631 -1.542 1.00 0.00 O ATOM 1069 CB LYS A 68 15.810 -8.846 1.301 1.00 0.00 C ATOM 1070 CG LYS A 68 15.301 -8.871 2.727 1.00 0.00 C ATOM 1071 CD LYS A 68 16.276 -9.535 3.677 1.00 0.00 C ATOM 1072 CE LYS A 68 15.740 -9.506 5.096 1.00 0.00 C ATOM 1073 NZ LYS A 68 16.562 -10.326 6.022 1.00 0.00 N ATOM 0 H LYS A 68 12.816 -9.328 0.408 1.00 0.00 H new ATOM 0 HA LYS A 68 14.162 -7.611 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.206 -9.828 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.636 -8.139 1.224 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.111 -7.851 3.060 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.348 -9.400 2.761 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.448 -10.566 3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.238 -9.025 3.635 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.713 -8.476 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.713 -9.872 5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.159 -10.277 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.567 -11.314 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.536 -9.961 6.037 1.00 0.00 H new ATOM 1087 N GLY A 69 14.786 -6.935 -1.562 1.00 0.00 N ATOM 1088 CA GLY A 69 15.327 -6.358 -2.776 1.00 0.00 C ATOM 1089 C GLY A 69 14.586 -6.806 -4.019 1.00 0.00 C ATOM 1090 O GLY A 69 14.788 -6.257 -5.103 1.00 0.00 O ATOM 0 H GLY A 69 13.976 -6.446 -1.181 1.00 0.00 H new ATOM 0 HA2 GLY A 69 15.286 -5.271 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 69 16.378 -6.632 -2.866 1.00 0.00 H new ATOM 1094 N GLN A 70 13.735 -7.808 -3.872 1.00 0.00 N ATOM 1095 CA GLN A 70 12.951 -8.315 -4.988 1.00 0.00 C ATOM 1096 C GLN A 70 11.557 -7.710 -4.957 1.00 0.00 C ATOM 1097 O GLN A 70 10.958 -7.575 -3.892 1.00 0.00 O ATOM 1098 CB GLN A 70 12.871 -9.839 -4.909 1.00 0.00 C ATOM 1099 CG GLN A 70 11.930 -10.468 -5.923 1.00 0.00 C ATOM 1100 CD GLN A 70 12.384 -10.283 -7.359 1.00 0.00 C ATOM 1101 OE1 GLN A 70 13.578 -10.172 -7.641 1.00 0.00 O ATOM 1102 NE2 GLN A 70 11.432 -10.261 -8.276 1.00 0.00 N ATOM 0 H GLN A 70 13.569 -8.288 -2.988 1.00 0.00 H new ATOM 0 HA GLN A 70 13.432 -8.035 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 70 13.870 -10.252 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN A 70 12.549 -10.123 -3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.840 -11.534 -5.712 1.00 0.00 H new ATOM 0 HG3 GLN A 70 10.937 -10.034 -5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 70 10.455 -10.356 -7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 70 11.675 -10.149 -9.260 1.00 0.00 H new ATOM 1111 N VAL A 71 11.051 -7.338 -6.122 1.00 0.00 N ATOM 1112 CA VAL A 71 9.726 -6.758 -6.220 1.00 0.00 C ATOM 1113 C VAL A 71 8.647 -7.831 -6.104 1.00 0.00 C ATOM 1114 O VAL A 71 8.569 -8.752 -6.924 1.00 0.00 O ATOM 1115 CB VAL A 71 9.548 -5.983 -7.543 1.00 0.00 C ATOM 1116 CG1 VAL A 71 8.129 -5.461 -7.678 1.00 0.00 C ATOM 1117 CG2 VAL A 71 10.541 -4.835 -7.624 1.00 0.00 C ATOM 0 H VAL A 71 11.540 -7.428 -7.012 1.00 0.00 H new ATOM 0 HA VAL A 71 9.619 -6.059 -5.390 1.00 0.00 H new ATOM 0 HB VAL A 71 9.739 -6.671 -8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.029 -4.919 -8.618 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.431 -6.298 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.907 -4.791 -6.847 1.00 0.00 H new ATOM 0 HG21 VAL A 71 10.402 -4.299 -8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.378 -4.153 -6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.556 -5.228 -7.578 1.00 0.00 H new ATOM 1127 N LEU A 72 7.818 -7.696 -5.078 1.00 0.00 N ATOM 1128 CA LEU A 72 6.734 -8.639 -4.819 1.00 0.00 C ATOM 1129 C LEU A 72 5.427 -8.048 -5.345 1.00 0.00 C ATOM 1130 O LEU A 72 4.952 -7.040 -4.829 1.00 0.00 O ATOM 1131 CB LEU A 72 6.634 -8.877 -3.298 1.00 0.00 C ATOM 1132 CG LEU A 72 5.967 -10.180 -2.820 1.00 0.00 C ATOM 1133 CD1 LEU A 72 4.529 -10.295 -3.299 1.00 0.00 C ATOM 1134 CD2 LEU A 72 6.773 -11.387 -3.258 1.00 0.00 C ATOM 0 H LEU A 72 7.876 -6.933 -4.403 1.00 0.00 H new ATOM 0 HA LEU A 72 6.926 -9.588 -5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.643 -8.846 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.087 -8.041 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 72 5.945 -10.149 -1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.099 -11.229 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.949 -9.456 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.506 -10.282 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.284 -12.297 -2.910 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.840 -11.405 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.775 -11.329 -2.834 1.00 0.00 H new ATOM 1146 N SER A 73 4.843 -8.665 -6.360 1.00 0.00 N ATOM 1147 CA SER A 73 3.596 -8.173 -6.923 1.00 0.00 C ATOM 1148 C SER A 73 2.410 -8.919 -6.326 1.00 0.00 C ATOM 1149 O SER A 73 2.310 -10.143 -6.427 1.00 0.00 O ATOM 1150 CB SER A 73 3.628 -8.324 -8.444 1.00 0.00 C ATOM 1151 OG SER A 73 4.174 -9.579 -8.822 1.00 0.00 O ATOM 0 H SER A 73 5.211 -9.504 -6.809 1.00 0.00 H new ATOM 0 HA SER A 73 3.482 -7.117 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 73 2.618 -8.228 -8.843 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.221 -7.520 -8.880 1.00 0.00 H new ATOM 0 HG SER A 73 3.811 -10.281 -8.243 1.00 0.00 H new ATOM 1157 N VAL A 74 1.516 -8.177 -5.697 1.00 0.00 N ATOM 1158 CA VAL A 74 0.347 -8.767 -5.073 1.00 0.00 C ATOM 1159 C VAL A 74 -0.877 -7.920 -5.325 1.00 0.00 C ATOM 1160 O VAL A 74 -0.839 -6.693 -5.274 1.00 0.00 O ATOM 1161 CB VAL A 74 0.567 -8.988 -3.558 1.00 0.00 C ATOM 1162 CG1 VAL A 74 0.758 -7.665 -2.827 1.00 0.00 C ATOM 1163 CG2 VAL A 74 -0.576 -9.781 -2.957 1.00 0.00 C ATOM 0 H VAL A 74 1.578 -7.163 -5.605 1.00 0.00 H new ATOM 0 HA VAL A 74 0.184 -9.745 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 74 1.482 -9.567 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.910 -7.855 -1.765 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.628 -7.148 -3.231 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.128 -7.044 -2.961 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.399 -9.924 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.510 -9.238 -3.100 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.642 -10.752 -3.447 1.00 0.00 H new ATOM 1173 N MET A 75 -1.958 -8.600 -5.618 1.00 0.00 N ATOM 1174 CA MET A 75 -3.182 -7.951 -6.005 1.00 0.00 C ATOM 1175 C MET A 75 -4.250 -8.167 -4.940 1.00 0.00 C ATOM 1176 O MET A 75 -4.394 -9.270 -4.414 1.00 0.00 O ATOM 1177 CB MET A 75 -3.640 -8.502 -7.350 1.00 0.00 C ATOM 1178 CG MET A 75 -4.660 -7.628 -8.029 1.00 0.00 C ATOM 1179 SD MET A 75 -5.423 -8.421 -9.458 1.00 0.00 S ATOM 1180 CE MET A 75 -6.494 -7.110 -10.044 1.00 0.00 C ATOM 0 H MET A 75 -2.012 -9.618 -5.594 1.00 0.00 H new ATOM 0 HA MET A 75 -3.013 -6.878 -6.101 1.00 0.00 H new ATOM 0 HB2 MET A 75 -2.775 -8.615 -8.003 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.062 -9.496 -7.204 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.436 -7.359 -7.312 1.00 0.00 H new ATOM 0 HG3 MET A 75 -4.183 -6.701 -8.346 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.504 -7.498 -10.178 1.00 0.00 H new ATOM 0 HE2 MET A 75 -6.510 -6.300 -9.315 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.121 -6.733 -10.996 1.00 0.00 H new ATOM 1190 N PHE A 76 -4.987 -7.111 -4.633 1.00 0.00 N ATOM 1191 CA PHE A 76 -5.993 -7.145 -3.574 1.00 0.00 C ATOM 1192 C PHE A 76 -6.967 -5.985 -3.743 1.00 0.00 C ATOM 1193 O PHE A 76 -6.819 -5.173 -4.661 1.00 0.00 O ATOM 1194 CB PHE A 76 -5.322 -7.072 -2.197 1.00 0.00 C ATOM 1195 CG PHE A 76 -4.669 -5.750 -1.906 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -3.498 -5.381 -2.549 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -5.228 -4.877 -0.987 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -2.898 -4.168 -2.281 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -4.632 -3.663 -0.715 1.00 0.00 C ATOM 1200 CZ PHE A 76 -3.466 -3.307 -1.362 1.00 0.00 C ATOM 0 H PHE A 76 -4.909 -6.210 -5.105 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.543 -8.084 -3.644 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.069 -7.274 -1.429 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.572 -7.860 -2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.050 -6.051 -3.268 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -6.141 -5.150 -0.478 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -1.986 -3.892 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.078 -2.991 0.004 1.00 0.00 H new ATOM 0 HZ PHE A 76 -2.998 -2.357 -1.150 1.00 0.00 H new ATOM 1210 N ARG A 77 -7.961 -5.904 -2.862 1.00 0.00 N ATOM 1211 CA ARG A 77 -8.931 -4.823 -2.918 1.00 0.00 C ATOM 1212 C ARG A 77 -8.699 -3.837 -1.773 1.00 0.00 C ATOM 1213 O ARG A 77 -8.827 -4.183 -0.598 1.00 0.00 O ATOM 1214 CB ARG A 77 -10.361 -5.369 -2.871 1.00 0.00 C ATOM 1215 CG ARG A 77 -10.622 -6.471 -3.886 1.00 0.00 C ATOM 1216 CD ARG A 77 -12.095 -6.836 -3.967 1.00 0.00 C ATOM 1217 NE ARG A 77 -12.873 -5.813 -4.663 1.00 0.00 N ATOM 1218 CZ ARG A 77 -13.829 -6.077 -5.555 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -14.190 -7.330 -5.803 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -14.435 -5.080 -6.183 1.00 0.00 N ATOM 0 H ARG A 77 -8.112 -6.572 -2.106 1.00 0.00 H new ATOM 0 HA ARG A 77 -8.799 -4.297 -3.863 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -10.563 -5.752 -1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -11.060 -4.551 -3.046 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -10.274 -6.149 -4.868 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -10.044 -7.355 -3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -12.205 -7.789 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -12.491 -6.971 -2.961 1.00 0.00 H new ATOM 0 HE ARG A 77 -12.672 -4.835 -4.453 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -13.736 -8.099 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -14.922 -7.524 -6.486 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -14.170 -4.115 -5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -15.167 -5.277 -6.866 1.00 0.00 H new ATOM 1234 N PHE A 78 -8.354 -2.611 -2.135 1.00 0.00 N ATOM 1235 CA PHE A 78 -8.064 -1.549 -1.173 1.00 0.00 C ATOM 1236 C PHE A 78 -9.351 -0.811 -0.846 1.00 0.00 C ATOM 1237 O PHE A 78 -10.216 -0.661 -1.714 1.00 0.00 O ATOM 1238 CB PHE A 78 -7.065 -0.584 -1.807 1.00 0.00 C ATOM 1239 CG PHE A 78 -6.249 0.267 -0.865 1.00 0.00 C ATOM 1240 CD1 PHE A 78 -6.706 1.502 -0.420 1.00 0.00 C ATOM 1241 CD2 PHE A 78 -4.986 -0.150 -0.476 1.00 0.00 C ATOM 1242 CE1 PHE A 78 -5.918 2.291 0.398 1.00 0.00 C ATOM 1243 CE2 PHE A 78 -4.191 0.642 0.330 1.00 0.00 C ATOM 1244 CZ PHE A 78 -4.659 1.862 0.769 1.00 0.00 C ATOM 0 H PHE A 78 -8.266 -2.319 -3.108 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.646 -1.967 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.378 -1.163 -2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.612 0.080 -2.477 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -7.685 1.849 -0.716 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.617 -1.109 -0.808 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.288 3.244 0.747 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -3.205 0.306 0.615 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.042 2.482 1.402 1.00 0.00 H new ATOM 1254 N ARG A 79 -9.497 -0.356 0.386 1.00 0.00 N ATOM 1255 CA ARG A 79 -10.708 0.346 0.761 1.00 0.00 C ATOM 1256 C ARG A 79 -10.638 1.821 0.388 1.00 0.00 C ATOM 1257 O ARG A 79 -9.866 2.591 0.949 1.00 0.00 O ATOM 1258 CB ARG A 79 -11.017 0.206 2.247 1.00 0.00 C ATOM 1259 CG ARG A 79 -12.470 0.522 2.566 1.00 0.00 C ATOM 1260 CD ARG A 79 -12.747 0.448 4.056 1.00 0.00 C ATOM 1261 NE ARG A 79 -12.171 1.582 4.782 1.00 0.00 N ATOM 1262 CZ ARG A 79 -12.071 1.660 6.111 1.00 0.00 C ATOM 1263 NH1 ARG A 79 -12.341 0.607 6.871 1.00 0.00 N ATOM 1264 NH2 ARG A 79 -11.657 2.787 6.676 1.00 0.00 N ATOM 0 H ARG A 79 -8.806 -0.458 1.130 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.517 -0.121 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.789 -0.810 2.569 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -10.369 0.873 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.714 1.519 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -13.119 -0.179 2.040 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -13.824 0.421 4.223 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -12.339 -0.481 4.454 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.822 2.368 4.233 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.628 -0.272 6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.262 0.676 7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.416 3.590 6.095 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -11.579 2.850 7.691 1.00 0.00 H new ATOM 1278 N SER A 80 -11.439 2.171 -0.595 1.00 0.00 N ATOM 1279 CA SER A 80 -11.691 3.545 -0.985 1.00 0.00 C ATOM 1280 C SER A 80 -12.176 4.375 0.207 1.00 0.00 C ATOM 1281 O SER A 80 -12.678 3.835 1.199 1.00 0.00 O ATOM 1282 CB SER A 80 -12.756 3.520 -2.084 1.00 0.00 C ATOM 1283 OG SER A 80 -13.259 4.809 -2.384 1.00 0.00 O ATOM 0 H SER A 80 -11.947 1.491 -1.161 1.00 0.00 H new ATOM 0 HA SER A 80 -10.772 4.007 -1.346 1.00 0.00 H new ATOM 0 HB2 SER A 80 -12.331 3.081 -2.987 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.579 2.876 -1.773 1.00 0.00 H new ATOM 0 HG SER A 80 -13.380 4.896 -3.353 1.00 0.00 H new ATOM 1289 N LYS A 81 -12.039 5.694 0.083 1.00 0.00 N ATOM 1290 CA LYS A 81 -12.449 6.634 1.123 1.00 0.00 C ATOM 1291 C LYS A 81 -13.966 6.616 1.300 1.00 0.00 C ATOM 1292 O LYS A 81 -14.500 7.175 2.257 1.00 0.00 O ATOM 1293 CB LYS A 81 -11.975 8.043 0.747 1.00 0.00 C ATOM 1294 CG LYS A 81 -12.170 9.098 1.824 1.00 0.00 C ATOM 1295 CD LYS A 81 -11.379 8.779 3.081 1.00 0.00 C ATOM 1296 CE LYS A 81 -11.375 9.955 4.040 1.00 0.00 C ATOM 1297 NZ LYS A 81 -10.596 11.103 3.504 1.00 0.00 N ATOM 0 H LYS A 81 -11.640 6.141 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.996 6.338 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -10.916 7.997 0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.505 8.360 -0.151 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.863 10.070 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.229 9.173 2.071 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.809 7.907 3.573 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.354 8.521 2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.400 10.270 4.233 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.952 9.643 4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -10.617 11.886 4.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.611 10.810 3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.014 11.417 2.605 1.00 0.00 H new ATOM 1311 N ASN A 82 -14.651 5.943 0.384 1.00 0.00 N ATOM 1312 CA ASN A 82 -16.099 5.813 0.447 1.00 0.00 C ATOM 1313 C ASN A 82 -16.442 4.422 0.954 1.00 0.00 C ATOM 1314 O ASN A 82 -17.581 3.969 0.853 1.00 0.00 O ATOM 1315 CB ASN A 82 -16.739 6.034 -0.930 1.00 0.00 C ATOM 1316 CG ASN A 82 -16.206 7.261 -1.645 1.00 0.00 C ATOM 1317 OD1 ASN A 82 -16.647 8.384 -1.400 1.00 0.00 O ATOM 1318 ND2 ASN A 82 -15.274 7.052 -2.564 1.00 0.00 N ATOM 0 H ASN A 82 -14.223 5.477 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.491 6.573 1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.564 5.155 -1.550 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -17.818 6.131 -0.811 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -14.898 7.837 -3.096 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -14.933 6.107 -2.739 1.00 0.00 H new ATOM 1325 N GLN A 83 -15.420 3.749 1.481 1.00 0.00 N ATOM 1326 CA GLN A 83 -15.539 2.401 2.022 1.00 0.00 C ATOM 1327 C GLN A 83 -15.899 1.405 0.934 1.00 0.00 C ATOM 1328 O GLN A 83 -16.773 0.557 1.099 1.00 0.00 O ATOM 1329 CB GLN A 83 -16.536 2.350 3.179 1.00 0.00 C ATOM 1330 CG GLN A 83 -15.960 2.876 4.487 1.00 0.00 C ATOM 1331 CD GLN A 83 -15.563 4.340 4.423 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -16.371 5.223 4.703 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -14.318 4.607 4.049 1.00 0.00 N ATOM 0 H GLN A 83 -14.476 4.131 1.544 1.00 0.00 H new ATOM 0 HA GLN A 83 -14.565 2.117 2.421 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.418 2.934 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -16.866 1.321 3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -16.695 2.741 5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -15.087 2.282 4.757 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -13.678 3.845 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.001 5.574 3.986 1.00 0.00 H new ATOM 1342 N GLU A 84 -15.203 1.524 -0.182 1.00 0.00 N ATOM 1343 CA GLU A 84 -15.368 0.623 -1.296 1.00 0.00 C ATOM 1344 C GLU A 84 -14.142 -0.266 -1.410 1.00 0.00 C ATOM 1345 O GLU A 84 -13.099 0.055 -0.868 1.00 0.00 O ATOM 1346 CB GLU A 84 -15.546 1.435 -2.571 1.00 0.00 C ATOM 1347 CG GLU A 84 -16.681 2.433 -2.494 1.00 0.00 C ATOM 1348 CD GLU A 84 -16.601 3.501 -3.564 1.00 0.00 C ATOM 1349 OE1 GLU A 84 -15.572 4.214 -3.624 1.00 0.00 O ATOM 1350 OE2 GLU A 84 -17.563 3.641 -4.344 1.00 0.00 O ATOM 0 H GLU A 84 -14.506 2.253 -0.337 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.247 -0.003 -1.143 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -14.619 1.966 -2.787 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.726 0.755 -3.404 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.630 1.904 -2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -16.675 2.908 -1.513 1.00 0.00 H new ATOM 1357 N TRP A 85 -14.263 -1.379 -2.099 1.00 0.00 N ATOM 1358 CA TRP A 85 -13.143 -2.282 -2.277 1.00 0.00 C ATOM 1359 C TRP A 85 -12.720 -2.310 -3.741 1.00 0.00 C ATOM 1360 O TRP A 85 -13.290 -3.042 -4.548 1.00 0.00 O ATOM 1361 CB TRP A 85 -13.532 -3.681 -1.806 1.00 0.00 C ATOM 1362 CG TRP A 85 -14.135 -3.691 -0.433 1.00 0.00 C ATOM 1363 CD1 TRP A 85 -15.452 -3.872 -0.123 1.00 0.00 C ATOM 1364 CD2 TRP A 85 -13.454 -3.494 0.810 1.00 0.00 C ATOM 1365 NE1 TRP A 85 -15.628 -3.810 1.236 1.00 0.00 N ATOM 1366 CE2 TRP A 85 -14.420 -3.580 1.832 1.00 0.00 C ATOM 1367 CE3 TRP A 85 -12.124 -3.259 1.163 1.00 0.00 C ATOM 1368 CZ2 TRP A 85 -14.098 -3.437 3.177 1.00 0.00 C ATOM 1369 CZ3 TRP A 85 -11.805 -3.118 2.500 1.00 0.00 C ATOM 1370 CH2 TRP A 85 -12.788 -3.209 3.493 1.00 0.00 C ATOM 0 H TRP A 85 -15.127 -1.683 -2.547 1.00 0.00 H new ATOM 0 HA TRP A 85 -12.300 -1.931 -1.682 1.00 0.00 H new ATOM 0 HB2 TRP A 85 -14.242 -4.111 -2.512 1.00 0.00 H new ATOM 0 HB3 TRP A 85 -12.649 -4.319 -1.813 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -16.240 -4.039 -0.842 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -16.518 -3.918 1.723 1.00 0.00 H new ATOM 0 HE3 TRP A 85 -11.358 -3.189 0.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -14.855 -3.504 3.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 -10.779 -2.934 2.784 1.00 0.00 H new ATOM 0 HH2 TRP A 85 -12.505 -3.097 4.529 1.00 0.00 H new ATOM 1381 N LEU A 86 -11.732 -1.499 -4.082 1.00 0.00 N ATOM 1382 CA LEU A 86 -11.278 -1.388 -5.462 1.00 0.00 C ATOM 1383 C LEU A 86 -10.043 -2.239 -5.721 1.00 0.00 C ATOM 1384 O LEU A 86 -9.319 -2.603 -4.800 1.00 0.00 O ATOM 1385 CB LEU A 86 -11.018 0.078 -5.818 1.00 0.00 C ATOM 1386 CG LEU A 86 -10.354 0.928 -4.730 1.00 0.00 C ATOM 1387 CD1 LEU A 86 -8.871 0.618 -4.624 1.00 0.00 C ATOM 1388 CD2 LEU A 86 -10.571 2.409 -5.005 1.00 0.00 C ATOM 0 H LEU A 86 -11.227 -0.906 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.070 -1.769 -6.106 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -10.390 0.109 -6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.969 0.541 -6.082 1.00 0.00 H new ATOM 0 HG LEU A 86 -10.819 0.679 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.425 1.235 -3.844 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.736 -0.435 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -8.386 0.830 -5.577 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -10.093 2.998 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -10.136 2.667 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -11.640 2.624 -5.019 1.00 0.00 H new ATOM 1400 N TRP A 87 -9.806 -2.537 -6.988 1.00 0.00 N ATOM 1401 CA TRP A 87 -8.726 -3.441 -7.371 1.00 0.00 C ATOM 1402 C TRP A 87 -7.426 -2.694 -7.619 1.00 0.00 C ATOM 1403 O TRP A 87 -7.380 -1.729 -8.387 1.00 0.00 O ATOM 1404 CB TRP A 87 -9.081 -4.230 -8.634 1.00 0.00 C ATOM 1405 CG TRP A 87 -10.116 -5.293 -8.428 1.00 0.00 C ATOM 1406 CD1 TRP A 87 -11.414 -5.261 -8.838 1.00 0.00 C ATOM 1407 CD2 TRP A 87 -9.931 -6.551 -7.772 1.00 0.00 C ATOM 1408 NE1 TRP A 87 -12.050 -6.425 -8.479 1.00 0.00 N ATOM 1409 CE2 TRP A 87 -11.160 -7.233 -7.821 1.00 0.00 C ATOM 1410 CE3 TRP A 87 -8.841 -7.168 -7.147 1.00 0.00 C ATOM 1411 CZ2 TRP A 87 -11.330 -8.501 -7.271 1.00 0.00 C ATOM 1412 CZ3 TRP A 87 -9.013 -8.424 -6.600 1.00 0.00 C ATOM 1413 CH2 TRP A 87 -10.247 -9.081 -6.666 1.00 0.00 C ATOM 0 H TRP A 87 -10.345 -2.168 -7.771 1.00 0.00 H new ATOM 0 HA TRP A 87 -8.592 -4.127 -6.535 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -9.438 -3.535 -9.394 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -8.175 -4.693 -9.025 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -11.876 -4.441 -9.368 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -13.026 -6.651 -8.671 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -7.884 -6.671 -7.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -12.282 -9.009 -7.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -8.180 -8.908 -6.112 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -10.347 -10.065 -6.231 1.00 0.00 H new ATOM 1424 N MET A 88 -6.372 -3.135 -6.955 1.00 0.00 N ATOM 1425 CA MET A 88 -5.040 -2.635 -7.236 1.00 0.00 C ATOM 1426 C MET A 88 -4.017 -3.751 -7.111 1.00 0.00 C ATOM 1427 O MET A 88 -4.222 -4.718 -6.375 1.00 0.00 O ATOM 1428 CB MET A 88 -4.672 -1.495 -6.287 1.00 0.00 C ATOM 1429 CG MET A 88 -4.572 -1.923 -4.834 1.00 0.00 C ATOM 1430 SD MET A 88 -3.999 -0.595 -3.766 1.00 0.00 S ATOM 1431 CE MET A 88 -5.184 0.682 -4.175 1.00 0.00 C ATOM 0 H MET A 88 -6.414 -3.838 -6.218 1.00 0.00 H new ATOM 0 HA MET A 88 -5.035 -2.255 -8.258 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.719 -1.068 -6.598 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.418 -0.705 -6.374 1.00 0.00 H new ATOM 0 HG2 MET A 88 -5.548 -2.266 -4.491 1.00 0.00 H new ATOM 0 HG3 MET A 88 -3.891 -2.770 -4.754 1.00 0.00 H new ATOM 0 HE1 MET A 88 -4.946 1.590 -3.621 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.142 0.888 -5.245 1.00 0.00 H new ATOM 0 HE3 MET A 88 -6.186 0.347 -3.909 1.00 0.00 H new ATOM 1441 N ARG A 89 -2.932 -3.625 -7.851 1.00 0.00 N ATOM 1442 CA ARG A 89 -1.823 -4.547 -7.736 1.00 0.00 C ATOM 1443 C ARG A 89 -0.608 -3.782 -7.235 1.00 0.00 C ATOM 1444 O ARG A 89 -0.142 -2.840 -7.880 1.00 0.00 O ATOM 1445 CB ARG A 89 -1.537 -5.204 -9.083 1.00 0.00 C ATOM 1446 CG ARG A 89 -0.645 -6.432 -9.000 1.00 0.00 C ATOM 1447 CD ARG A 89 -0.446 -7.050 -10.374 1.00 0.00 C ATOM 1448 NE ARG A 89 0.405 -8.238 -10.337 1.00 0.00 N ATOM 1449 CZ ARG A 89 1.309 -8.529 -11.268 1.00 0.00 C ATOM 1450 NH1 ARG A 89 1.477 -7.716 -12.303 1.00 0.00 N ATOM 1451 NH2 ARG A 89 2.032 -9.636 -11.160 1.00 0.00 N ATOM 0 H ARG A 89 -2.797 -2.887 -8.542 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.069 -5.340 -7.029 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.483 -5.486 -9.545 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.068 -4.471 -9.740 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.321 -6.157 -8.577 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -1.090 -7.165 -8.328 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.417 -7.315 -10.793 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.003 -6.310 -11.041 1.00 0.00 H new ATOM 0 HE ARG A 89 0.299 -8.881 -9.552 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.913 -6.870 -12.383 1.00 0.00 H new ATOM 0 HH12 ARG A 89 2.170 -7.937 -13.018 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.893 -10.260 -10.365 1.00 0.00 H new ATOM 0 HH22 ARG A 89 2.726 -9.863 -11.872 1.00 0.00 H new ATOM 1465 N THR A 90 -0.133 -4.165 -6.069 1.00 0.00 N ATOM 1466 CA THR A 90 0.949 -3.467 -5.411 1.00 0.00 C ATOM 1467 C THR A 90 2.278 -4.200 -5.604 1.00 0.00 C ATOM 1468 O THR A 90 2.344 -5.427 -5.490 1.00 0.00 O ATOM 1469 CB THR A 90 0.639 -3.322 -3.909 1.00 0.00 C ATOM 1470 OG1 THR A 90 -0.607 -2.632 -3.738 1.00 0.00 O ATOM 1471 CG2 THR A 90 1.739 -2.568 -3.183 1.00 0.00 C ATOM 0 H THR A 90 -0.487 -4.969 -5.551 1.00 0.00 H new ATOM 0 HA THR A 90 1.041 -2.478 -5.860 1.00 0.00 H new ATOM 0 HB THR A 90 0.574 -4.322 -3.481 1.00 0.00 H new ATOM 0 HG1 THR A 90 -0.726 -2.401 -2.793 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.486 -2.485 -2.126 1.00 0.00 H new ATOM 0 HG22 THR A 90 2.681 -3.106 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.841 -1.571 -3.611 1.00 0.00 H new ATOM 1479 N SER A 91 3.319 -3.445 -5.922 1.00 0.00 N ATOM 1480 CA SER A 91 4.656 -3.994 -6.055 1.00 0.00 C ATOM 1481 C SER A 91 5.485 -3.625 -4.827 1.00 0.00 C ATOM 1482 O SER A 91 5.668 -2.444 -4.520 1.00 0.00 O ATOM 1483 CB SER A 91 5.312 -3.475 -7.336 1.00 0.00 C ATOM 1484 OG SER A 91 5.260 -2.059 -7.400 1.00 0.00 O ATOM 0 H SER A 91 3.260 -2.441 -6.094 1.00 0.00 H new ATOM 0 HA SER A 91 4.599 -5.080 -6.121 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.350 -3.806 -7.376 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.808 -3.900 -8.204 1.00 0.00 H new ATOM 0 HG SER A 91 6.170 -1.696 -7.361 1.00 0.00 H new ATOM 1490 N SER A 92 5.979 -4.636 -4.133 1.00 0.00 N ATOM 1491 CA SER A 92 6.659 -4.440 -2.865 1.00 0.00 C ATOM 1492 C SER A 92 8.166 -4.492 -3.033 1.00 0.00 C ATOM 1493 O SER A 92 8.691 -5.340 -3.753 1.00 0.00 O ATOM 1494 CB SER A 92 6.229 -5.520 -1.871 1.00 0.00 C ATOM 1495 OG SER A 92 4.828 -5.727 -1.926 1.00 0.00 O ATOM 0 H SER A 92 5.921 -5.610 -4.431 1.00 0.00 H new ATOM 0 HA SER A 92 6.384 -3.454 -2.489 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.748 -6.452 -2.094 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.518 -5.227 -0.862 1.00 0.00 H new ATOM 0 HG SER A 92 4.438 -5.559 -1.043 1.00 0.00 H new ATOM 1501 N PHE A 93 8.847 -3.578 -2.370 1.00 0.00 N ATOM 1502 CA PHE A 93 10.294 -3.599 -2.280 1.00 0.00 C ATOM 1503 C PHE A 93 10.700 -3.444 -0.824 1.00 0.00 C ATOM 1504 O PHE A 93 10.047 -2.737 -0.069 1.00 0.00 O ATOM 1505 CB PHE A 93 10.897 -2.479 -3.137 1.00 0.00 C ATOM 1506 CG PHE A 93 12.353 -2.190 -2.854 1.00 0.00 C ATOM 1507 CD1 PHE A 93 13.351 -2.898 -3.501 1.00 0.00 C ATOM 1508 CD2 PHE A 93 12.719 -1.214 -1.932 1.00 0.00 C ATOM 1509 CE1 PHE A 93 14.685 -2.643 -3.236 1.00 0.00 C ATOM 1510 CE2 PHE A 93 14.052 -0.956 -1.665 1.00 0.00 C ATOM 1511 CZ PHE A 93 15.034 -1.671 -2.319 1.00 0.00 C ATOM 0 H PHE A 93 8.412 -2.798 -1.877 1.00 0.00 H new ATOM 0 HA PHE A 93 10.673 -4.549 -2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 93 10.790 -2.745 -4.189 1.00 0.00 H new ATOM 0 HB3 PHE A 93 10.321 -1.567 -2.979 1.00 0.00 H new ATOM 0 HD1 PHE A 93 13.086 -3.658 -4.221 1.00 0.00 H new ATOM 0 HD2 PHE A 93 11.953 -0.651 -1.419 1.00 0.00 H new ATOM 0 HE1 PHE A 93 15.454 -3.204 -3.746 1.00 0.00 H new ATOM 0 HE2 PHE A 93 14.323 -0.197 -0.946 1.00 0.00 H new ATOM 0 HZ PHE A 93 16.075 -1.471 -2.114 1.00 0.00 H new ATOM 1521 N THR A 94 11.748 -4.126 -0.422 1.00 0.00 N ATOM 1522 CA THR A 94 12.248 -3.998 0.930 1.00 0.00 C ATOM 1523 C THR A 94 13.599 -3.300 0.936 1.00 0.00 C ATOM 1524 O THR A 94 14.561 -3.781 0.335 1.00 0.00 O ATOM 1525 CB THR A 94 12.348 -5.371 1.600 1.00 0.00 C ATOM 1526 OG1 THR A 94 12.600 -6.376 0.607 1.00 0.00 O ATOM 1527 CG2 THR A 94 11.067 -5.687 2.355 1.00 0.00 C ATOM 0 H THR A 94 12.271 -4.775 -1.010 1.00 0.00 H new ATOM 0 HA THR A 94 11.545 -3.390 1.499 1.00 0.00 H new ATOM 0 HB THR A 94 13.173 -5.358 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 94 11.969 -7.117 0.724 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.154 -6.666 2.826 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.900 -4.930 3.121 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.227 -5.692 1.660 1.00 0.00 H new ATOM 1535 N PHE A 95 13.659 -2.157 1.603 1.00 0.00 N ATOM 1536 CA PHE A 95 14.854 -1.332 1.585 1.00 0.00 C ATOM 1537 C PHE A 95 15.919 -1.906 2.509 1.00 0.00 C ATOM 1538 O PHE A 95 15.859 -1.735 3.731 1.00 0.00 O ATOM 1539 CB PHE A 95 14.520 0.105 1.996 1.00 0.00 C ATOM 1540 CG PHE A 95 15.506 1.119 1.488 1.00 0.00 C ATOM 1541 CD1 PHE A 95 16.822 1.122 1.924 1.00 0.00 C ATOM 1542 CD2 PHE A 95 15.108 2.078 0.571 1.00 0.00 C ATOM 1543 CE1 PHE A 95 17.721 2.059 1.454 1.00 0.00 C ATOM 1544 CE2 PHE A 95 16.001 3.017 0.098 1.00 0.00 C ATOM 1545 CZ PHE A 95 17.308 3.010 0.541 1.00 0.00 C ATOM 0 H PHE A 95 12.894 -1.781 2.163 1.00 0.00 H new ATOM 0 HA PHE A 95 15.245 -1.324 0.568 1.00 0.00 H new ATOM 0 HB2 PHE A 95 13.527 0.359 1.626 1.00 0.00 H new ATOM 0 HB3 PHE A 95 14.479 0.163 3.084 1.00 0.00 H new ATOM 0 HD1 PHE A 95 17.148 0.382 2.640 1.00 0.00 H new ATOM 0 HD2 PHE A 95 14.086 2.091 0.222 1.00 0.00 H new ATOM 0 HE1 PHE A 95 18.744 2.048 1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 95 15.677 3.757 -0.619 1.00 0.00 H new ATOM 0 HZ PHE A 95 18.007 3.747 0.174 1.00 0.00 H new ATOM 1555 N GLN A 96 16.878 -2.605 1.920 1.00 0.00 N ATOM 1556 CA GLN A 96 18.022 -3.107 2.656 1.00 0.00 C ATOM 1557 C GLN A 96 19.085 -2.032 2.792 1.00 0.00 C ATOM 1558 O GLN A 96 19.496 -1.424 1.802 1.00 0.00 O ATOM 1559 CB GLN A 96 18.636 -4.323 1.961 1.00 0.00 C ATOM 1560 CG GLN A 96 18.160 -5.655 2.505 1.00 0.00 C ATOM 1561 CD GLN A 96 18.852 -6.824 1.840 1.00 0.00 C ATOM 1562 OE1 GLN A 96 19.220 -6.757 0.668 1.00 0.00 O ATOM 1563 NE2 GLN A 96 19.064 -7.889 2.589 1.00 0.00 N ATOM 0 H GLN A 96 16.883 -2.837 0.927 1.00 0.00 H new ATOM 0 HA GLN A 96 17.668 -3.401 3.644 1.00 0.00 H new ATOM 0 HB2 GLN A 96 18.405 -4.274 0.897 1.00 0.00 H new ATOM 0 HB3 GLN A 96 19.721 -4.272 2.054 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.340 -5.692 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 96 17.083 -5.741 2.359 1.00 0.00 H new ATOM 0 HE21 GLN A 96 18.742 -7.904 3.557 1.00 0.00 H new ATOM 0 HE22 GLN A 96 19.549 -8.697 2.200 1.00 0.00 H new ATOM 1659 N ILE A 103 16.329 -4.203 7.078 1.00 0.00 N ATOM 1660 CA ILE A 103 15.290 -3.520 6.324 1.00 0.00 C ATOM 1661 C ILE A 103 14.828 -2.286 7.076 1.00 0.00 C ATOM 1662 O ILE A 103 14.426 -2.372 8.239 1.00 0.00 O ATOM 1663 CB ILE A 103 14.074 -4.446 6.086 1.00 0.00 C ATOM 1664 CG1 ILE A 103 14.493 -5.684 5.297 1.00 0.00 C ATOM 1665 CG2 ILE A 103 12.959 -3.707 5.356 1.00 0.00 C ATOM 1666 CD1 ILE A 103 15.041 -5.378 3.921 1.00 0.00 C ATOM 0 HA ILE A 103 15.711 -3.234 5.360 1.00 0.00 H new ATOM 0 HB ILE A 103 13.694 -4.761 7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 103 15.248 -6.227 5.866 1.00 0.00 H new ATOM 0 HG13 ILE A 103 13.633 -6.346 5.196 1.00 0.00 H new ATOM 0 HG21 ILE A 103 12.116 -4.381 5.201 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.637 -2.854 5.953 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.325 -3.357 4.391 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.316 -6.308 3.424 1.00 0.00 H new ATOM 0 HD12 ILE A 103 14.281 -4.863 3.333 1.00 0.00 H new ATOM 0 HD13 ILE A 103 15.921 -4.742 4.013 1.00 0.00 H new ATOM 1678 N GLU A 104 14.909 -1.138 6.417 1.00 0.00 N ATOM 1679 CA GLU A 104 14.397 0.094 6.983 1.00 0.00 C ATOM 1680 C GLU A 104 12.888 -0.002 7.109 1.00 0.00 C ATOM 1681 O GLU A 104 12.308 0.253 8.165 1.00 0.00 O ATOM 1682 CB GLU A 104 14.733 1.285 6.098 1.00 0.00 C ATOM 1683 CG GLU A 104 16.186 1.372 5.695 1.00 0.00 C ATOM 1684 CD GLU A 104 16.560 2.764 5.230 1.00 0.00 C ATOM 1685 OE1 GLU A 104 16.187 3.143 4.106 1.00 0.00 O ATOM 1686 OE2 GLU A 104 17.226 3.488 5.999 1.00 0.00 O ATOM 0 H GLU A 104 15.325 -1.038 5.491 1.00 0.00 H new ATOM 0 HA GLU A 104 14.859 0.237 7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.121 1.237 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.458 2.201 6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.815 1.090 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 104 16.385 0.657 4.897 1.00 0.00 H new ATOM 1693 N TYR A 105 12.280 -0.390 6.000 1.00 0.00 N ATOM 1694 CA TYR A 105 10.837 -0.478 5.866 1.00 0.00 C ATOM 1695 C TYR A 105 10.505 -1.076 4.504 1.00 0.00 C ATOM 1696 O TYR A 105 11.401 -1.343 3.699 1.00 0.00 O ATOM 1697 CB TYR A 105 10.196 0.913 5.998 1.00 0.00 C ATOM 1698 CG TYR A 105 10.911 2.007 5.223 1.00 0.00 C ATOM 1699 CD1 TYR A 105 10.922 2.021 3.834 1.00 0.00 C ATOM 1700 CD2 TYR A 105 11.581 3.025 5.891 1.00 0.00 C ATOM 1701 CE1 TYR A 105 11.577 3.018 3.136 1.00 0.00 C ATOM 1702 CE2 TYR A 105 12.237 4.025 5.197 1.00 0.00 C ATOM 1703 CZ TYR A 105 12.232 4.014 3.822 1.00 0.00 C ATOM 1704 OH TYR A 105 12.879 5.008 3.127 1.00 0.00 O ATOM 0 H TYR A 105 12.784 -0.657 5.154 1.00 0.00 H new ATOM 0 HA TYR A 105 10.439 -1.112 6.658 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.162 0.858 5.656 1.00 0.00 H new ATOM 0 HB3 TYR A 105 10.169 1.189 7.052 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.410 1.240 3.291 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.589 3.035 6.971 1.00 0.00 H new ATOM 0 HE1 TYR A 105 11.574 3.015 2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.750 4.810 5.732 1.00 0.00 H new ATOM 0 HH TYR A 105 13.290 5.634 3.759 1.00 0.00 H new ATOM 1714 N ILE A 106 9.228 -1.274 4.252 1.00 0.00 N ATOM 1715 CA ILE A 106 8.764 -1.761 2.968 1.00 0.00 C ATOM 1716 C ILE A 106 8.324 -0.580 2.111 1.00 0.00 C ATOM 1717 O ILE A 106 7.776 0.393 2.626 1.00 0.00 O ATOM 1718 CB ILE A 106 7.575 -2.737 3.133 1.00 0.00 C ATOM 1719 CG1 ILE A 106 7.922 -3.849 4.123 1.00 0.00 C ATOM 1720 CG2 ILE A 106 7.181 -3.337 1.788 1.00 0.00 C ATOM 1721 CD1 ILE A 106 6.767 -4.788 4.402 1.00 0.00 C ATOM 0 H ILE A 106 8.484 -1.103 4.928 1.00 0.00 H new ATOM 0 HA ILE A 106 9.585 -2.295 2.489 1.00 0.00 H new ATOM 0 HB ILE A 106 6.728 -2.174 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 106 8.762 -4.424 3.733 1.00 0.00 H new ATOM 0 HG13 ILE A 106 8.251 -3.401 5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.343 -4.020 1.926 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.890 -2.539 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 106 8.028 -3.881 1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.083 -5.552 5.112 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.933 -4.225 4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.452 -5.264 3.473 1.00 0.00 H new ATOM 1733 N ILE A 107 8.545 -0.673 0.816 1.00 0.00 N ATOM 1734 CA ILE A 107 8.151 0.371 -0.110 1.00 0.00 C ATOM 1735 C ILE A 107 7.190 -0.225 -1.124 1.00 0.00 C ATOM 1736 O ILE A 107 7.588 -1.005 -1.990 1.00 0.00 O ATOM 1737 CB ILE A 107 9.360 0.989 -0.848 1.00 0.00 C ATOM 1738 CG1 ILE A 107 10.366 1.558 0.155 1.00 0.00 C ATOM 1739 CG2 ILE A 107 8.892 2.075 -1.807 1.00 0.00 C ATOM 1740 CD1 ILE A 107 11.581 2.187 -0.493 1.00 0.00 C ATOM 0 H ILE A 107 9.002 -1.472 0.376 1.00 0.00 H new ATOM 0 HA ILE A 107 7.678 1.171 0.459 1.00 0.00 H new ATOM 0 HB ILE A 107 9.854 0.206 -1.423 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.867 2.305 0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 107 10.693 0.760 0.821 1.00 0.00 H new ATOM 0 HG21 ILE A 107 9.753 2.503 -2.321 1.00 0.00 H new ATOM 0 HG22 ILE A 107 8.210 1.644 -2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 107 8.378 2.857 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 107 12.249 2.568 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 107 12.104 1.439 -1.088 1.00 0.00 H new ATOM 0 HD13 ILE A 107 11.266 3.008 -1.137 1.00 0.00 H new ATOM 1752 N CYS A 108 5.926 0.116 -0.994 1.00 0.00 N ATOM 1753 CA CYS A 108 4.900 -0.468 -1.828 1.00 0.00 C ATOM 1754 C CYS A 108 4.431 0.514 -2.889 1.00 0.00 C ATOM 1755 O CYS A 108 3.847 1.557 -2.583 1.00 0.00 O ATOM 1756 CB CYS A 108 3.732 -0.949 -0.966 1.00 0.00 C ATOM 1757 SG CYS A 108 3.289 0.166 0.389 1.00 0.00 S ATOM 0 H CYS A 108 5.584 0.797 -0.316 1.00 0.00 H new ATOM 0 HA CYS A 108 5.324 -1.328 -2.346 1.00 0.00 H new ATOM 0 HB2 CYS A 108 2.860 -1.089 -1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 108 3.982 -1.925 -0.550 1.00 0.00 H new ATOM 0 HG CYS A 108 3.071 -0.527 1.467 1.00 0.00 H new ATOM 1763 N THR A 109 4.726 0.186 -4.134 1.00 0.00 N ATOM 1764 CA THR A 109 4.246 0.957 -5.260 1.00 0.00 C ATOM 1765 C THR A 109 2.856 0.463 -5.638 1.00 0.00 C ATOM 1766 O THR A 109 2.623 -0.741 -5.725 1.00 0.00 O ATOM 1767 CB THR A 109 5.198 0.826 -6.463 1.00 0.00 C ATOM 1768 OG1 THR A 109 6.555 0.989 -6.023 1.00 0.00 O ATOM 1769 CG2 THR A 109 4.878 1.864 -7.530 1.00 0.00 C ATOM 0 H THR A 109 5.301 -0.617 -4.389 1.00 0.00 H new ATOM 0 HA THR A 109 4.204 2.009 -4.979 1.00 0.00 H new ATOM 0 HB THR A 109 5.067 -0.165 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 109 7.160 0.904 -6.789 1.00 0.00 H new ATOM 0 HG21 THR A 109 5.566 1.748 -8.368 1.00 0.00 H new ATOM 0 HG22 THR A 109 3.855 1.724 -7.878 1.00 0.00 H new ATOM 0 HG23 THR A 109 4.984 2.864 -7.109 1.00 0.00 H new ATOM 1777 N ASN A 110 1.947 1.387 -5.869 1.00 0.00 N ATOM 1778 CA ASN A 110 0.549 1.050 -6.062 1.00 0.00 C ATOM 1779 C ASN A 110 0.113 1.286 -7.492 1.00 0.00 C ATOM 1780 O ASN A 110 0.374 2.345 -8.057 1.00 0.00 O ATOM 1781 CB ASN A 110 -0.337 1.873 -5.127 1.00 0.00 C ATOM 1782 CG ASN A 110 -1.684 2.195 -5.753 1.00 0.00 C ATOM 1783 OD1 ASN A 110 -1.871 3.260 -6.344 1.00 0.00 O ATOM 1784 ND2 ASN A 110 -2.618 1.275 -5.657 1.00 0.00 N ATOM 0 H ASN A 110 2.152 2.384 -5.928 1.00 0.00 H new ATOM 0 HA ASN A 110 0.439 -0.010 -5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -0.491 1.324 -4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 110 0.173 2.801 -4.868 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -3.533 1.431 -6.080 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -2.428 0.405 -5.160 1.00 0.00 H new ATOM 1791 N THR A 111 -0.559 0.300 -8.064 1.00 0.00 N ATOM 1792 CA THR A 111 -1.171 0.450 -9.364 1.00 0.00 C ATOM 1793 C THR A 111 -2.648 0.082 -9.286 1.00 0.00 C ATOM 1794 O THR A 111 -3.005 -1.083 -9.100 1.00 0.00 O ATOM 1795 CB THR A 111 -0.467 -0.426 -10.420 1.00 0.00 C ATOM 1796 OG1 THR A 111 0.915 -0.056 -10.509 1.00 0.00 O ATOM 1797 CG2 THR A 111 -1.128 -0.278 -11.788 1.00 0.00 C ATOM 0 H THR A 111 -0.692 -0.618 -7.640 1.00 0.00 H new ATOM 0 HA THR A 111 -1.070 1.492 -9.668 1.00 0.00 H new ATOM 0 HB THR A 111 -0.551 -1.468 -10.111 1.00 0.00 H new ATOM 0 HG1 THR A 111 1.361 -0.615 -11.179 1.00 0.00 H new ATOM 0 HG21 THR A 111 -0.610 -0.907 -12.512 1.00 0.00 H new ATOM 0 HG22 THR A 111 -2.172 -0.584 -11.723 1.00 0.00 H new ATOM 0 HG23 THR A 111 -1.074 0.763 -12.107 1.00 0.00 H new ATOM 1805 N ASN A 112 -3.494 1.088 -9.406 1.00 0.00 N ATOM 1806 CA ASN A 112 -4.938 0.896 -9.375 1.00 0.00 C ATOM 1807 C ASN A 112 -5.415 0.481 -10.756 1.00 0.00 C ATOM 1808 O ASN A 112 -5.229 1.209 -11.729 1.00 0.00 O ATOM 1809 CB ASN A 112 -5.616 2.195 -8.938 1.00 0.00 C ATOM 1810 CG ASN A 112 -7.131 2.206 -9.111 1.00 0.00 C ATOM 1811 OD1 ASN A 112 -7.712 3.234 -9.459 1.00 0.00 O ATOM 1812 ND2 ASN A 112 -7.790 1.091 -8.829 1.00 0.00 N ATOM 0 H ASN A 112 -3.205 2.059 -9.527 1.00 0.00 H new ATOM 0 HA ASN A 112 -5.196 0.113 -8.662 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.381 2.378 -7.889 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -5.192 3.021 -9.508 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -8.807 1.069 -8.898 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -7.280 0.255 -8.543 1.00 0.00 H new ATOM 1819 N VAL A 113 -6.011 -0.700 -10.838 1.00 0.00 N ATOM 1820 CA VAL A 113 -6.432 -1.246 -12.115 1.00 0.00 C ATOM 1821 C VAL A 113 -7.856 -0.787 -12.443 1.00 0.00 C ATOM 1822 O VAL A 113 -8.095 0.401 -12.647 1.00 0.00 O ATOM 1823 CB VAL A 113 -6.352 -2.792 -12.133 1.00 0.00 C ATOM 1824 CG1 VAL A 113 -6.299 -3.311 -13.561 1.00 0.00 C ATOM 1825 CG2 VAL A 113 -5.149 -3.282 -11.337 1.00 0.00 C ATOM 0 H VAL A 113 -6.213 -1.296 -10.035 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.748 -0.871 -12.876 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.253 -3.183 -11.661 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.243 -4.400 -13.551 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.196 -2.999 -14.095 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.419 -2.907 -14.062 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.114 -4.371 -11.364 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.235 -2.879 -11.773 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.236 -2.947 -10.303 1.00 0.00 H new