USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 802 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 69 THR OG1 : rot -78:sc= 1.15 USER MOD Set 1.2: A 71 SER OG : rot 180:sc= 0.0454 USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= -2.12 F(o=-3.4!,f=-2.1) USER MOD Single : A 15 ASN : amide:sc= -1.97 K(o=-2,f=-8.6!) USER MOD Single : A 19 SER OG : rot 90:sc= -0.277 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.489 USER MOD Single : A 25 SER OG : rot 169:sc= 1.34 USER MOD Single : A 26 THR OG1 : rot -30:sc= 1.2 USER MOD Single : A 28 THR OG1 : rot -55:sc= 0.795 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0819 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 MET CE :methyl 156:sc= -4.81! (180deg=-6.63!) USER MOD Single : A 41 LYS NZ :NH3+ 160:sc=-0.00517 (180deg=-0.0852) USER MOD Single : A 47 GLN : amide:sc= -0.0523 X(o=-0.052,f=-0.25) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= -0.34 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.1 USER MOD Single : A 64 MET CE :methyl -145:sc= -0.0446 (180deg=-0.675) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.37 X(o=-0.37,f=-0.1) USER MOD Single : A 74 HIS : no HD1:sc= -6.79! C(o=-6.8!,f=-7.2!) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 90 GLN : amide:sc= -0.968 K(o=-0.97,f=-7.5!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 170:sc= 0.00545 USER MOD Single : A 104 ASN : amide:sc= -1.88 K(o=-1.9,f=-6.6!) USER MOD Single : A 107 THR OG1 : rot -152:sc= 0.481 USER MOD Single : A 109 HIS : no HD1:sc= -0.43 X(o=-0.43,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 91 N PRO A 8 -11.076 -6.448 8.698 1.00 0.00 N ATOM 92 CA PRO A 8 -9.666 -6.068 8.907 1.00 0.00 C ATOM 93 C PRO A 8 -8.803 -7.323 9.125 1.00 0.00 C ATOM 94 O PRO A 8 -8.384 -7.949 8.180 1.00 0.00 O ATOM 95 CB PRO A 8 -9.722 -5.132 10.129 1.00 0.00 C ATOM 96 CG PRO A 8 -11.018 -5.488 10.891 1.00 0.00 C ATOM 97 CD PRO A 8 -11.927 -6.239 9.899 1.00 0.00 C ATOM 0 HA PRO A 8 -9.203 -5.568 8.056 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.847 -5.270 10.765 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.729 -4.087 9.818 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -10.798 -6.109 11.759 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.509 -4.588 11.260 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -12.268 -7.188 10.313 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -12.817 -5.658 9.658 1.00 0.00 H new ATOM 105 N GLY A 9 -8.548 -7.683 10.350 1.00 0.00 N ATOM 106 CA GLY A 9 -7.705 -8.882 10.710 1.00 0.00 C ATOM 107 C GLY A 9 -7.939 -10.094 9.781 1.00 0.00 C ATOM 108 O GLY A 9 -7.078 -10.953 9.672 1.00 0.00 O ATOM 0 H GLY A 9 -8.902 -7.177 11.162 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.652 -8.602 10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.921 -9.174 11.738 1.00 0.00 H new ATOM 112 N MET A 10 -9.069 -10.158 9.106 1.00 0.00 N ATOM 113 CA MET A 10 -9.355 -11.283 8.174 1.00 0.00 C ATOM 114 C MET A 10 -9.363 -10.696 6.748 1.00 0.00 C ATOM 115 O MET A 10 -10.195 -9.851 6.470 1.00 0.00 O ATOM 116 CB MET A 10 -10.739 -11.863 8.482 1.00 0.00 C ATOM 117 CG MET A 10 -10.830 -12.219 9.968 1.00 0.00 C ATOM 118 SD MET A 10 -12.075 -13.513 10.201 1.00 0.00 S ATOM 119 CE MET A 10 -12.868 -12.814 11.672 1.00 0.00 C ATOM 0 H MET A 10 -9.812 -9.462 9.169 1.00 0.00 H new ATOM 0 HA MET A 10 -8.609 -12.072 8.276 1.00 0.00 H new ATOM 0 HB2 MET A 10 -11.513 -11.140 8.223 1.00 0.00 H new ATOM 0 HB3 MET A 10 -10.916 -12.750 7.874 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.861 -12.562 10.331 1.00 0.00 H new ATOM 0 HG3 MET A 10 -11.094 -11.336 10.549 1.00 0.00 H new ATOM 0 HE1 MET A 10 -13.681 -13.466 11.992 1.00 0.00 H new ATOM 0 HE2 MET A 10 -12.135 -12.728 12.474 1.00 0.00 H new ATOM 0 HE3 MET A 10 -13.266 -11.827 11.437 1.00 0.00 H new ATOM 129 N ALA A 11 -8.453 -11.102 5.850 1.00 0.00 N ATOM 130 CA ALA A 11 -8.408 -10.537 4.452 1.00 0.00 C ATOM 131 C ALA A 11 -7.604 -9.225 4.438 1.00 0.00 C ATOM 132 O ALA A 11 -6.741 -9.060 3.590 1.00 0.00 O ATOM 133 CB ALA A 11 -9.817 -10.291 3.886 1.00 0.00 C ATOM 0 H ALA A 11 -7.741 -11.806 6.042 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.918 -11.275 3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.738 -9.884 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.366 -11.232 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.346 -9.582 4.523 1.00 0.00 H new ATOM 139 N ILE A 12 -7.857 -8.294 5.359 1.00 0.00 N ATOM 140 CA ILE A 12 -7.065 -7.011 5.359 1.00 0.00 C ATOM 141 C ILE A 12 -6.459 -6.816 6.770 1.00 0.00 C ATOM 142 O ILE A 12 -7.012 -6.063 7.559 1.00 0.00 O ATOM 143 CB ILE A 12 -8.009 -5.847 5.007 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.605 -6.084 3.615 1.00 0.00 C ATOM 145 CG2 ILE A 12 -7.233 -4.522 5.017 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.656 -5.012 3.318 1.00 0.00 C ATOM 0 H ILE A 12 -8.563 -8.372 6.091 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.261 -7.045 4.624 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.809 -5.795 5.745 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.818 -6.055 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.057 -7.075 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.908 -3.703 4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.811 -4.355 6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.428 -4.566 4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.079 -5.182 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.448 -5.063 4.065 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.190 -4.027 3.350 1.00 0.00 H new ATOM 158 N PRO A 13 -5.381 -7.538 7.103 1.00 0.00 N ATOM 159 CA PRO A 13 -4.825 -7.478 8.469 1.00 0.00 C ATOM 160 C PRO A 13 -4.113 -6.162 8.751 1.00 0.00 C ATOM 161 O PRO A 13 -3.927 -5.331 7.879 1.00 0.00 O ATOM 162 CB PRO A 13 -3.873 -8.675 8.545 1.00 0.00 C ATOM 163 CG PRO A 13 -3.514 -9.048 7.091 1.00 0.00 C ATOM 164 CD PRO A 13 -4.589 -8.418 6.186 1.00 0.00 C ATOM 0 HA PRO A 13 -5.607 -7.524 9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.977 -8.422 9.112 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.346 -9.514 9.054 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.524 -8.675 6.830 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.490 -10.130 6.965 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -4.139 -7.844 5.375 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -5.218 -9.181 5.726 1.00 0.00 H new ATOM 172 N HIS A 14 -3.748 -5.986 9.994 1.00 0.00 N ATOM 173 CA HIS A 14 -3.072 -4.754 10.458 1.00 0.00 C ATOM 174 C HIS A 14 -1.643 -4.717 9.873 1.00 0.00 C ATOM 175 O HIS A 14 -1.038 -5.756 9.670 1.00 0.00 O ATOM 176 CB HIS A 14 -3.023 -4.789 11.998 1.00 0.00 C ATOM 177 CG HIS A 14 -4.360 -5.225 12.577 1.00 0.00 C ATOM 178 ND1 HIS A 14 -4.864 -6.468 12.881 1.00 0.00 N flip ATOM 179 CD2 HIS A 14 -5.366 -4.325 12.906 1.00 0.00 C flip ATOM 180 CE1 HIS A 14 -6.151 -6.347 13.390 1.00 0.00 C flip ATOM 181 NE2 HIS A 14 -6.408 -5.039 13.385 1.00 0.00 N flip ATOM 0 H HIS A 14 -3.900 -6.677 10.729 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.608 -3.864 10.129 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.241 -5.474 12.325 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.762 -3.802 12.379 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -4.366 -7.349 12.752 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -5.323 -3.251 12.798 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.803 -7.142 13.719 1.00 0.00 H new ATOM 189 N ASN A 15 -1.107 -3.534 9.595 1.00 0.00 N ATOM 190 CA ASN A 15 0.274 -3.418 9.014 1.00 0.00 C ATOM 191 C ASN A 15 0.309 -4.031 7.589 1.00 0.00 C ATOM 192 O ASN A 15 1.078 -4.943 7.324 1.00 0.00 O ATOM 193 CB ASN A 15 1.278 -4.121 9.947 1.00 0.00 C ATOM 194 CG ASN A 15 2.654 -3.447 9.848 1.00 0.00 C ATOM 195 OD1 ASN A 15 2.756 -2.269 9.559 1.00 0.00 O ATOM 196 ND2 ASN A 15 3.725 -4.149 10.085 1.00 0.00 N ATOM 0 H ASN A 15 -1.578 -2.642 9.750 1.00 0.00 H new ATOM 0 HA ASN A 15 0.551 -2.367 8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.919 -4.082 10.975 1.00 0.00 H new ATOM 0 HB3 ASN A 15 1.360 -5.174 9.678 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.645 -3.711 10.028 1.00 0.00 H new ATOM 0 HD22 ASN A 15 3.644 -5.136 10.328 1.00 0.00 H new ATOM 203 N PRO A 16 -0.528 -3.507 6.695 1.00 0.00 N ATOM 204 CA PRO A 16 -0.598 -3.990 5.293 1.00 0.00 C ATOM 205 C PRO A 16 0.551 -3.429 4.439 1.00 0.00 C ATOM 206 O PRO A 16 1.125 -2.399 4.751 1.00 0.00 O ATOM 207 CB PRO A 16 -1.930 -3.432 4.784 1.00 0.00 C ATOM 208 CG PRO A 16 -2.257 -2.207 5.670 1.00 0.00 C ATOM 209 CD PRO A 16 -1.486 -2.404 6.988 1.00 0.00 C ATOM 0 HA PRO A 16 -0.520 -5.076 5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.855 -3.144 3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.717 -4.183 4.853 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.956 -1.282 5.179 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.329 -2.136 5.854 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.965 -1.493 7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.157 -2.667 7.806 1.00 0.00 H new ATOM 217 N LEU A 17 0.852 -4.101 3.347 1.00 0.00 N ATOM 218 CA LEU A 17 1.927 -3.643 2.404 1.00 0.00 C ATOM 219 C LEU A 17 3.261 -3.415 3.148 1.00 0.00 C ATOM 220 O LEU A 17 3.955 -2.433 2.915 1.00 0.00 O ATOM 221 CB LEU A 17 1.465 -2.347 1.710 1.00 0.00 C ATOM 222 CG LEU A 17 0.063 -2.546 1.120 1.00 0.00 C ATOM 223 CD1 LEU A 17 -0.429 -1.237 0.497 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.108 -3.633 0.041 1.00 0.00 C ATOM 0 H LEU A 17 0.387 -4.964 3.066 1.00 0.00 H new ATOM 0 HA LEU A 17 2.099 -4.418 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.455 -1.524 2.425 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.167 -2.076 0.921 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.618 -2.848 1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.425 -1.384 0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.467 -0.462 1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.255 -0.931 -0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.889 -3.773 -0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.794 -3.332 -0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.451 -4.569 0.482 1.00 0.00 H new ATOM 236 N ASP A 18 3.630 -4.329 4.022 1.00 0.00 N ATOM 237 CA ASP A 18 4.929 -4.192 4.773 1.00 0.00 C ATOM 238 C ASP A 18 6.098 -4.404 3.805 1.00 0.00 C ATOM 239 O ASP A 18 7.106 -3.692 3.845 1.00 0.00 O ATOM 240 CB ASP A 18 4.990 -5.227 5.906 1.00 0.00 C ATOM 241 CG ASP A 18 4.641 -6.618 5.370 1.00 0.00 C ATOM 242 OD1 ASP A 18 5.531 -7.273 4.852 1.00 0.00 O ATOM 243 OD2 ASP A 18 3.490 -7.004 5.491 1.00 0.00 O ATOM 0 H ASP A 18 3.089 -5.164 4.248 1.00 0.00 H new ATOM 0 HA ASP A 18 4.995 -3.194 5.207 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.988 -5.238 6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.296 -4.950 6.699 1.00 0.00 H new ATOM 248 N SER A 19 5.948 -5.364 2.923 1.00 0.00 N ATOM 249 CA SER A 19 7.007 -5.655 1.910 1.00 0.00 C ATOM 250 C SER A 19 7.149 -4.446 0.984 1.00 0.00 C ATOM 251 O SER A 19 8.212 -4.202 0.440 1.00 0.00 O ATOM 252 CB SER A 19 6.610 -6.888 1.094 1.00 0.00 C ATOM 253 OG SER A 19 7.765 -7.678 0.848 1.00 0.00 O ATOM 0 H SER A 19 5.126 -5.964 2.863 1.00 0.00 H new ATOM 0 HA SER A 19 7.956 -5.850 2.409 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.864 -7.471 1.634 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.155 -6.584 0.151 1.00 0.00 H new ATOM 0 HG SER A 19 7.878 -8.327 1.574 1.00 0.00 H new ATOM 259 N CYS A 20 6.079 -3.691 0.816 1.00 0.00 N ATOM 260 CA CYS A 20 6.118 -2.480 -0.056 1.00 0.00 C ATOM 261 C CYS A 20 6.914 -1.381 0.653 1.00 0.00 C ATOM 262 O CYS A 20 7.645 -0.626 0.028 1.00 0.00 O ATOM 263 CB CYS A 20 4.689 -2.004 -0.323 1.00 0.00 C ATOM 264 SG CYS A 20 3.695 -3.385 -0.957 1.00 0.00 S ATOM 0 H CYS A 20 5.176 -3.871 1.254 1.00 0.00 H new ATOM 0 HA CYS A 20 6.597 -2.717 -1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.247 -1.616 0.595 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.696 -1.187 -1.044 1.00 0.00 H new ATOM 269 N ARG A 21 6.775 -1.307 1.963 1.00 0.00 N ATOM 270 CA ARG A 21 7.505 -0.278 2.761 1.00 0.00 C ATOM 271 C ARG A 21 9.026 -0.524 2.628 1.00 0.00 C ATOM 272 O ARG A 21 9.788 0.369 2.231 1.00 0.00 O ATOM 273 CB ARG A 21 6.993 -0.343 4.235 1.00 0.00 C ATOM 274 CG ARG A 21 8.054 -0.841 5.236 1.00 0.00 C ATOM 275 CD ARG A 21 7.523 -0.686 6.662 1.00 0.00 C ATOM 276 NE ARG A 21 8.584 -1.071 7.635 1.00 0.00 N ATOM 277 CZ ARG A 21 8.287 -1.815 8.666 1.00 0.00 C ATOM 278 NH1 ARG A 21 7.683 -2.960 8.492 1.00 0.00 N ATOM 279 NH2 ARG A 21 8.594 -1.415 9.870 1.00 0.00 N ATOM 0 H ARG A 21 6.178 -1.926 2.512 1.00 0.00 H new ATOM 0 HA ARG A 21 7.316 0.731 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.657 0.649 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.125 -1.001 4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.294 -1.886 5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 21 8.977 -0.273 5.117 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.213 0.345 6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.642 -1.312 6.803 1.00 0.00 H new ATOM 0 HE ARG A 21 9.543 -0.753 7.495 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.444 -3.273 7.551 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.451 -3.542 9.297 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.066 -0.521 10.006 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.362 -1.996 10.675 1.00 0.00 H new ATOM 293 N TRP A 22 9.468 -1.731 2.946 1.00 0.00 N ATOM 294 CA TRP A 22 10.935 -2.027 2.835 1.00 0.00 C ATOM 295 C TRP A 22 11.362 -1.964 1.373 1.00 0.00 C ATOM 296 O TRP A 22 12.508 -1.659 1.073 1.00 0.00 O ATOM 297 CB TRP A 22 11.304 -3.392 3.419 1.00 0.00 C ATOM 298 CG TRP A 22 11.412 -3.251 4.887 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.718 -3.937 5.797 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.273 -2.360 5.605 1.00 0.00 C ATOM 301 NE1 TRP A 22 11.097 -3.509 7.063 1.00 0.00 N ATOM 302 CE2 TRP A 22 12.069 -2.525 6.987 1.00 0.00 C ATOM 303 CE3 TRP A 22 13.201 -1.432 5.166 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.783 -1.769 7.919 1.00 0.00 C ATOM 305 CZ3 TRP A 22 13.931 -0.664 6.087 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.721 -0.833 7.466 1.00 0.00 C ATOM 0 H TRP A 22 8.886 -2.504 3.270 1.00 0.00 H new ATOM 0 HA TRP A 22 11.462 -1.271 3.417 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.547 -4.133 3.163 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.247 -3.743 3.000 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.983 -4.699 5.584 1.00 0.00 H new ATOM 0 HE1 TRP A 22 10.710 -3.872 7.934 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.365 -1.298 4.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.614 -1.905 8.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.654 0.057 5.735 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.282 -0.242 8.175 1.00 0.00 H new ATOM 317 N TYR A 23 10.447 -2.240 0.462 1.00 0.00 N ATOM 318 CA TYR A 23 10.788 -2.185 -0.989 1.00 0.00 C ATOM 319 C TYR A 23 11.072 -0.738 -1.361 1.00 0.00 C ATOM 320 O TYR A 23 11.882 -0.483 -2.230 1.00 0.00 O ATOM 321 CB TYR A 23 9.649 -2.751 -1.839 1.00 0.00 C ATOM 322 CG TYR A 23 10.062 -2.750 -3.293 1.00 0.00 C ATOM 323 CD1 TYR A 23 11.071 -3.617 -3.730 1.00 0.00 C ATOM 324 CD2 TYR A 23 9.446 -1.881 -4.200 1.00 0.00 C ATOM 325 CE1 TYR A 23 11.462 -3.617 -5.074 1.00 0.00 C ATOM 326 CE2 TYR A 23 9.837 -1.879 -5.544 1.00 0.00 C ATOM 327 CZ TYR A 23 10.846 -2.747 -5.981 1.00 0.00 C ATOM 328 OH TYR A 23 11.231 -2.746 -7.307 1.00 0.00 O ATOM 0 H TYR A 23 9.483 -2.500 0.669 1.00 0.00 H new ATOM 0 HA TYR A 23 11.670 -2.796 -1.183 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.409 -3.765 -1.518 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.748 -2.153 -1.705 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.548 -4.286 -3.029 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.668 -1.211 -3.863 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.238 -4.288 -5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.361 -1.208 -6.244 1.00 0.00 H new ATOM 0 HH TYR A 23 10.703 -2.084 -7.800 1.00 0.00 H new ATOM 338 N VAL A 24 10.444 0.213 -0.690 1.00 0.00 N ATOM 339 CA VAL A 24 10.742 1.647 -0.992 1.00 0.00 C ATOM 340 C VAL A 24 12.130 1.937 -0.445 1.00 0.00 C ATOM 341 O VAL A 24 12.909 2.620 -1.075 1.00 0.00 O ATOM 342 CB VAL A 24 9.754 2.602 -0.315 1.00 0.00 C ATOM 343 CG1 VAL A 24 10.127 4.050 -0.674 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.330 2.303 -0.792 1.00 0.00 C ATOM 0 H VAL A 24 9.750 0.054 0.041 1.00 0.00 H new ATOM 0 HA VAL A 24 10.668 1.802 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 24 9.800 2.467 0.766 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.428 4.735 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 24 11.138 4.262 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.080 4.180 -1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.633 2.986 -0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.273 2.434 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 24 8.069 1.276 -0.537 1.00 0.00 H new ATOM 354 N SER A 25 12.426 1.431 0.736 1.00 0.00 N ATOM 355 CA SER A 25 13.772 1.686 1.350 1.00 0.00 C ATOM 356 C SER A 25 14.899 1.224 0.403 1.00 0.00 C ATOM 357 O SER A 25 15.903 1.900 0.259 1.00 0.00 O ATOM 358 CB SER A 25 13.897 0.926 2.672 1.00 0.00 C ATOM 359 OG SER A 25 12.666 0.993 3.377 1.00 0.00 O ATOM 0 H SER A 25 11.796 0.856 1.296 1.00 0.00 H new ATOM 0 HA SER A 25 13.866 2.758 1.526 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.163 -0.114 2.482 1.00 0.00 H new ATOM 0 HB3 SER A 25 14.697 1.354 3.275 1.00 0.00 H new ATOM 0 HG SER A 25 12.684 0.362 4.127 1.00 0.00 H new ATOM 365 N THR A 26 14.740 0.065 -0.212 1.00 0.00 N ATOM 366 CA THR A 26 15.802 -0.497 -1.126 1.00 0.00 C ATOM 367 C THR A 26 15.804 0.191 -2.504 1.00 0.00 C ATOM 368 O THR A 26 16.843 0.607 -2.985 1.00 0.00 O ATOM 369 CB THR A 26 15.546 -2.015 -1.282 1.00 0.00 C ATOM 370 OG1 THR A 26 15.768 -2.652 -0.032 1.00 0.00 O ATOM 371 CG2 THR A 26 16.479 -2.636 -2.334 1.00 0.00 C ATOM 0 H THR A 26 13.911 -0.521 -0.118 1.00 0.00 H new ATOM 0 HA THR A 26 16.782 -0.314 -0.685 1.00 0.00 H new ATOM 0 HB THR A 26 14.517 -2.158 -1.611 1.00 0.00 H new ATOM 0 HG1 THR A 26 16.451 -2.160 0.469 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.273 -3.703 -2.419 1.00 0.00 H new ATOM 0 HG22 THR A 26 16.311 -2.156 -3.298 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.516 -2.490 -2.032 1.00 0.00 H new ATOM 379 N ARG A 27 14.667 0.277 -3.141 1.00 0.00 N ATOM 380 CA ARG A 27 14.578 0.901 -4.499 1.00 0.00 C ATOM 381 C ARG A 27 14.972 2.380 -4.443 1.00 0.00 C ATOM 382 O ARG A 27 15.363 2.954 -5.446 1.00 0.00 O ATOM 383 CB ARG A 27 13.144 0.779 -5.021 1.00 0.00 C ATOM 384 CG ARG A 27 13.088 1.232 -6.484 1.00 0.00 C ATOM 385 CD ARG A 27 12.172 0.298 -7.278 1.00 0.00 C ATOM 386 NE ARG A 27 12.626 0.244 -8.694 1.00 0.00 N ATOM 387 CZ ARG A 27 11.749 0.194 -9.660 1.00 0.00 C ATOM 388 NH1 ARG A 27 10.702 0.974 -9.634 1.00 0.00 N ATOM 389 NH2 ARG A 27 11.921 -0.634 -10.653 1.00 0.00 N ATOM 0 H ARG A 27 13.779 -0.064 -2.773 1.00 0.00 H new ATOM 0 HA ARG A 27 15.265 0.381 -5.167 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.802 -0.252 -4.936 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.473 1.388 -4.415 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.719 2.256 -6.544 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.089 1.228 -6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 27 12.187 -0.701 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.142 0.652 -7.228 1.00 0.00 H new ATOM 0 HE ARG A 27 13.623 0.246 -8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.569 1.623 -8.859 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.017 0.934 -10.389 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.740 -1.242 -10.674 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.237 -0.674 -11.408 1.00 0.00 H new ATOM 403 N THR A 28 14.829 3.003 -3.291 1.00 0.00 N ATOM 404 CA THR A 28 15.145 4.462 -3.162 1.00 0.00 C ATOM 405 C THR A 28 16.565 4.696 -2.602 1.00 0.00 C ATOM 406 O THR A 28 17.394 5.291 -3.274 1.00 0.00 O ATOM 407 CB THR A 28 14.087 5.135 -2.259 1.00 0.00 C ATOM 408 OG1 THR A 28 14.220 4.686 -0.921 1.00 0.00 O ATOM 409 CG2 THR A 28 12.685 4.793 -2.772 1.00 0.00 C ATOM 0 H THR A 28 14.505 2.558 -2.432 1.00 0.00 H new ATOM 0 HA THR A 28 15.117 4.908 -4.156 1.00 0.00 H new ATOM 0 HB THR A 28 14.238 6.214 -2.286 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.170 3.708 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.939 5.268 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.573 5.155 -3.794 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.544 3.712 -2.753 1.00 0.00 H new ATOM 417 N CYS A 29 16.847 4.266 -1.383 1.00 0.00 N ATOM 418 CA CYS A 29 18.207 4.494 -0.775 1.00 0.00 C ATOM 419 C CYS A 29 19.077 3.236 -0.853 1.00 0.00 C ATOM 420 O CYS A 29 20.100 3.153 -0.188 1.00 0.00 O ATOM 421 CB CYS A 29 18.054 4.889 0.697 1.00 0.00 C ATOM 422 SG CYS A 29 16.646 6.002 0.916 1.00 0.00 S ATOM 0 H CYS A 29 16.190 3.766 -0.784 1.00 0.00 H new ATOM 0 HA CYS A 29 18.691 5.291 -1.340 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.916 3.996 1.306 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.966 5.375 1.045 1.00 0.00 H new ATOM 427 N GLY A 30 18.677 2.257 -1.626 1.00 0.00 N ATOM 428 CA GLY A 30 19.470 0.981 -1.721 1.00 0.00 C ATOM 429 C GLY A 30 19.626 0.361 -0.316 1.00 0.00 C ATOM 430 O GLY A 30 20.529 -0.426 -0.081 1.00 0.00 O ATOM 0 H GLY A 30 17.834 2.282 -2.199 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.968 0.278 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.451 1.182 -2.152 1.00 0.00 H new ATOM 434 N VAL A 31 18.751 0.719 0.612 1.00 0.00 N ATOM 435 CA VAL A 31 18.824 0.174 2.011 1.00 0.00 C ATOM 436 C VAL A 31 17.651 -0.789 2.245 1.00 0.00 C ATOM 437 O VAL A 31 16.699 -0.803 1.484 1.00 0.00 O ATOM 438 CB VAL A 31 18.746 1.337 3.008 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.911 0.811 4.435 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.863 2.341 2.708 1.00 0.00 C ATOM 0 H VAL A 31 17.984 1.372 0.452 1.00 0.00 H new ATOM 0 HA VAL A 31 19.762 -0.363 2.150 1.00 0.00 H new ATOM 0 HB VAL A 31 17.776 1.825 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.855 1.642 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.117 0.097 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.879 0.319 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.809 3.168 3.416 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.830 1.847 2.800 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.746 2.723 1.694 1.00 0.00 H new ATOM 450 N GLY A 32 17.723 -1.599 3.286 1.00 0.00 N ATOM 451 CA GLY A 32 16.625 -2.580 3.572 1.00 0.00 C ATOM 452 C GLY A 32 17.254 -3.947 3.945 1.00 0.00 C ATOM 453 O GLY A 32 18.473 -4.045 3.954 1.00 0.00 O ATOM 0 H GLY A 32 18.499 -1.619 3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.000 -2.218 4.388 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.980 -2.688 2.700 1.00 0.00 H new ATOM 457 N PRO A 33 16.449 -4.985 4.237 1.00 0.00 N ATOM 458 CA PRO A 33 17.021 -6.312 4.586 1.00 0.00 C ATOM 459 C PRO A 33 17.798 -6.888 3.389 1.00 0.00 C ATOM 460 O PRO A 33 17.803 -6.303 2.317 1.00 0.00 O ATOM 461 CB PRO A 33 15.797 -7.153 4.991 1.00 0.00 C ATOM 462 CG PRO A 33 14.573 -6.459 4.373 1.00 0.00 C ATOM 463 CD PRO A 33 14.947 -4.974 4.241 1.00 0.00 C ATOM 0 HA PRO A 33 17.750 -6.282 5.396 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.890 -8.176 4.625 1.00 0.00 H new ATOM 0 HB3 PRO A 33 15.706 -7.209 6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.331 -6.888 3.401 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.693 -6.585 5.004 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.547 -4.540 3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.553 -4.386 5.070 1.00 0.00 H new ATOM 471 N ARG A 34 18.484 -8.006 3.576 1.00 0.00 N ATOM 472 CA ARG A 34 19.302 -8.600 2.469 1.00 0.00 C ATOM 473 C ARG A 34 18.476 -9.630 1.696 1.00 0.00 C ATOM 474 O ARG A 34 18.485 -10.817 1.984 1.00 0.00 O ATOM 475 CB ARG A 34 20.576 -9.258 3.035 1.00 0.00 C ATOM 476 CG ARG A 34 20.238 -10.135 4.249 1.00 0.00 C ATOM 477 CD ARG A 34 21.430 -11.039 4.589 1.00 0.00 C ATOM 478 NE ARG A 34 21.849 -10.795 5.999 1.00 0.00 N ATOM 479 CZ ARG A 34 22.877 -11.427 6.495 1.00 0.00 C ATOM 480 NH1 ARG A 34 24.029 -11.385 5.882 1.00 0.00 N ATOM 481 NH2 ARG A 34 22.754 -12.102 7.606 1.00 0.00 N ATOM 0 H ARG A 34 18.507 -8.527 4.452 1.00 0.00 H new ATOM 0 HA ARG A 34 19.596 -7.801 1.788 1.00 0.00 H new ATOM 0 HB2 ARG A 34 21.052 -9.863 2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 34 21.292 -8.488 3.324 1.00 0.00 H new ATOM 0 HG2 ARG A 34 19.991 -9.507 5.105 1.00 0.00 H new ATOM 0 HG3 ARG A 34 19.359 -10.743 4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 34 21.157 -12.086 4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 34 22.259 -10.837 3.911 1.00 0.00 H new ATOM 0 HE ARG A 34 21.331 -10.133 6.577 1.00 0.00 H new ATOM 0 HH11 ARG A 34 24.126 -10.858 5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 34 24.832 -11.880 6.271 1.00 0.00 H new ATOM 0 HH21 ARG A 34 21.854 -12.135 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 34 23.557 -12.596 7.994 1.00 0.00 H new ATOM 495 N LEU A 35 17.771 -9.150 0.702 1.00 0.00 N ATOM 496 CA LEU A 35 16.923 -10.028 -0.162 1.00 0.00 C ATOM 497 C LEU A 35 16.942 -9.478 -1.600 1.00 0.00 C ATOM 498 O LEU A 35 17.692 -8.561 -1.903 1.00 0.00 O ATOM 499 CB LEU A 35 15.485 -10.078 0.396 1.00 0.00 C ATOM 500 CG LEU A 35 14.749 -8.742 0.186 1.00 0.00 C ATOM 501 CD1 LEU A 35 13.294 -8.887 0.645 1.00 0.00 C ATOM 502 CD2 LEU A 35 15.428 -7.634 0.997 1.00 0.00 C ATOM 0 H LEU A 35 17.748 -8.163 0.448 1.00 0.00 H new ATOM 0 HA LEU A 35 17.316 -11.045 -0.168 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.932 -10.880 -0.093 1.00 0.00 H new ATOM 0 HB3 LEU A 35 15.515 -10.314 1.460 1.00 0.00 H new ATOM 0 HG LEU A 35 14.780 -8.480 -0.872 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.770 -7.943 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 35 12.805 -9.668 0.063 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.271 -9.154 1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.900 -6.693 0.841 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.405 -7.892 2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 35 16.463 -7.527 0.672 1.00 0.00 H new ATOM 514 N ALA A 36 16.128 -10.027 -2.479 1.00 0.00 N ATOM 515 CA ALA A 36 16.095 -9.540 -3.895 1.00 0.00 C ATOM 516 C ALA A 36 14.962 -8.518 -4.055 1.00 0.00 C ATOM 517 O ALA A 36 14.073 -8.443 -3.223 1.00 0.00 O ATOM 518 CB ALA A 36 15.865 -10.718 -4.843 1.00 0.00 C ATOM 0 H ALA A 36 15.486 -10.792 -2.273 1.00 0.00 H new ATOM 0 HA ALA A 36 17.047 -9.069 -4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.842 -10.358 -5.872 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.674 -11.440 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.915 -11.197 -4.605 1.00 0.00 H new ATOM 524 N THR A 37 15.000 -7.732 -5.114 1.00 0.00 N ATOM 525 CA THR A 37 13.941 -6.698 -5.348 1.00 0.00 C ATOM 526 C THR A 37 12.704 -7.342 -5.961 1.00 0.00 C ATOM 527 O THR A 37 11.633 -7.235 -5.415 1.00 0.00 O ATOM 528 CB THR A 37 14.461 -5.606 -6.295 1.00 0.00 C ATOM 529 OG1 THR A 37 15.412 -6.152 -7.202 1.00 0.00 O ATOM 530 CG2 THR A 37 15.112 -4.490 -5.478 1.00 0.00 C ATOM 0 H THR A 37 15.727 -7.767 -5.829 1.00 0.00 H new ATOM 0 HA THR A 37 13.682 -6.251 -4.388 1.00 0.00 H new ATOM 0 HB THR A 37 13.624 -5.202 -6.864 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.735 -5.447 -7.801 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.481 -3.715 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 37 14.376 -4.060 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 37 15.943 -4.898 -4.903 1.00 0.00 H new ATOM 538 N GLN A 38 12.845 -7.997 -7.092 1.00 0.00 N ATOM 539 CA GLN A 38 11.663 -8.645 -7.766 1.00 0.00 C ATOM 540 C GLN A 38 10.896 -9.534 -6.779 1.00 0.00 C ATOM 541 O GLN A 38 9.703 -9.751 -6.930 1.00 0.00 O ATOM 542 CB GLN A 38 12.150 -9.495 -8.943 1.00 0.00 C ATOM 543 CG GLN A 38 13.187 -10.515 -8.452 1.00 0.00 C ATOM 544 CD GLN A 38 14.381 -10.541 -9.409 1.00 0.00 C ATOM 545 OE1 GLN A 38 14.247 -10.919 -10.556 1.00 0.00 O ATOM 546 NE2 GLN A 38 15.552 -10.151 -8.983 1.00 0.00 N ATOM 0 H GLN A 38 13.732 -8.113 -7.582 1.00 0.00 H new ATOM 0 HA GLN A 38 10.994 -7.862 -8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.308 -10.011 -9.404 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.589 -8.855 -9.709 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.520 -10.254 -7.447 1.00 0.00 H new ATOM 0 HG3 GLN A 38 12.736 -11.506 -8.391 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.665 -9.834 -8.020 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.354 -10.164 -9.613 1.00 0.00 H new ATOM 555 N GLU A 39 11.576 -10.042 -5.774 1.00 0.00 N ATOM 556 CA GLU A 39 10.918 -10.921 -4.758 1.00 0.00 C ATOM 557 C GLU A 39 10.047 -10.072 -3.834 1.00 0.00 C ATOM 558 O GLU A 39 8.921 -10.433 -3.532 1.00 0.00 O ATOM 559 CB GLU A 39 11.991 -11.634 -3.932 1.00 0.00 C ATOM 560 CG GLU A 39 12.832 -12.523 -4.847 1.00 0.00 C ATOM 561 CD GLU A 39 12.038 -13.780 -5.209 1.00 0.00 C ATOM 562 OE1 GLU A 39 11.929 -14.652 -4.362 1.00 0.00 O ATOM 563 OE2 GLU A 39 11.552 -13.850 -6.326 1.00 0.00 O ATOM 0 H GLU A 39 12.571 -9.881 -5.616 1.00 0.00 H new ATOM 0 HA GLU A 39 10.296 -11.659 -5.265 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.627 -10.902 -3.433 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.524 -12.235 -3.152 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.103 -11.978 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.762 -12.798 -4.350 1.00 0.00 H new ATOM 570 N MET A 40 10.569 -8.946 -3.391 1.00 0.00 N ATOM 571 CA MET A 40 9.797 -8.042 -2.483 1.00 0.00 C ATOM 572 C MET A 40 8.575 -7.537 -3.239 1.00 0.00 C ATOM 573 O MET A 40 7.452 -7.649 -2.781 1.00 0.00 O ATOM 574 CB MET A 40 10.662 -6.848 -2.104 1.00 0.00 C ATOM 575 CG MET A 40 10.144 -6.241 -0.799 1.00 0.00 C ATOM 576 SD MET A 40 11.427 -5.192 -0.071 1.00 0.00 S ATOM 577 CE MET A 40 11.599 -6.088 1.492 1.00 0.00 C ATOM 0 H MET A 40 11.506 -8.616 -3.625 1.00 0.00 H new ATOM 0 HA MET A 40 9.500 -8.581 -1.583 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.700 -7.159 -1.987 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.641 -6.102 -2.899 1.00 0.00 H new ATOM 0 HG2 MET A 40 9.245 -5.655 -0.990 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.867 -7.032 -0.102 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.588 -5.902 1.911 1.00 0.00 H new ATOM 0 HE2 MET A 40 10.837 -5.746 2.193 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.476 -7.156 1.314 1.00 0.00 H new ATOM 587 N LYS A 41 8.814 -6.982 -4.405 1.00 0.00 N ATOM 588 CA LYS A 41 7.706 -6.448 -5.262 1.00 0.00 C ATOM 589 C LYS A 41 6.655 -7.546 -5.494 1.00 0.00 C ATOM 590 O LYS A 41 5.455 -7.286 -5.485 1.00 0.00 O ATOM 591 CB LYS A 41 8.279 -5.986 -6.609 1.00 0.00 C ATOM 592 CG LYS A 41 7.174 -5.311 -7.427 1.00 0.00 C ATOM 593 CD LYS A 41 7.800 -4.416 -8.509 1.00 0.00 C ATOM 594 CE LYS A 41 7.463 -4.966 -9.899 1.00 0.00 C ATOM 595 NZ LYS A 41 6.012 -4.766 -10.172 1.00 0.00 N ATOM 0 H LYS A 41 9.746 -6.875 -4.805 1.00 0.00 H new ATOM 0 HA LYS A 41 7.235 -5.603 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.103 -5.291 -6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.683 -6.838 -7.156 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.538 -6.066 -7.890 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.537 -4.715 -6.773 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.426 -3.397 -8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.881 -4.373 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.060 -4.459 -10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.712 -6.026 -9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.842 -4.814 -11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.463 -5.509 -9.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.717 -3.835 -9.815 1.00 0.00 H new ATOM 609 N ALA A 42 7.105 -8.775 -5.682 1.00 0.00 N ATOM 610 CA ALA A 42 6.162 -9.916 -5.900 1.00 0.00 C ATOM 611 C ALA A 42 5.302 -10.082 -4.649 1.00 0.00 C ATOM 612 O ALA A 42 4.112 -10.354 -4.730 1.00 0.00 O ATOM 613 CB ALA A 42 6.957 -11.200 -6.154 1.00 0.00 C ATOM 0 H ALA A 42 8.093 -9.030 -5.692 1.00 0.00 H new ATOM 0 HA ALA A 42 5.528 -9.716 -6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.268 -12.029 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.581 -11.073 -7.039 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.589 -11.413 -5.292 1.00 0.00 H new ATOM 619 N ARG A 43 5.908 -9.901 -3.492 1.00 0.00 N ATOM 620 CA ARG A 43 5.161 -10.024 -2.206 1.00 0.00 C ATOM 621 C ARG A 43 4.095 -8.924 -2.152 1.00 0.00 C ATOM 622 O ARG A 43 3.007 -9.137 -1.636 1.00 0.00 O ATOM 623 CB ARG A 43 6.146 -9.897 -1.022 1.00 0.00 C ATOM 624 CG ARG A 43 5.400 -9.739 0.319 1.00 0.00 C ATOM 625 CD ARG A 43 4.408 -10.890 0.524 1.00 0.00 C ATOM 626 NE ARG A 43 4.733 -11.607 1.789 1.00 0.00 N ATOM 627 CZ ARG A 43 4.832 -12.908 1.792 1.00 0.00 C ATOM 628 NH1 ARG A 43 5.610 -13.502 0.928 1.00 0.00 N ATOM 629 NH2 ARG A 43 4.152 -13.615 2.655 1.00 0.00 N ATOM 0 H ARG A 43 6.897 -9.672 -3.391 1.00 0.00 H new ATOM 0 HA ARG A 43 4.673 -10.997 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.785 -10.779 -0.982 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.798 -9.038 -1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.117 -9.719 1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.869 -8.787 0.336 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.390 -10.504 0.564 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.455 -11.579 -0.319 1.00 0.00 H new ATOM 0 HE ARG A 43 4.878 -11.082 2.651 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.138 -12.949 0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.689 -14.519 0.928 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.543 -13.150 3.328 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.231 -14.632 2.656 1.00 0.00 H new ATOM 643 N CYS A 44 4.403 -7.755 -2.688 1.00 0.00 N ATOM 644 CA CYS A 44 3.413 -6.634 -2.679 1.00 0.00 C ATOM 645 C CYS A 44 2.234 -6.987 -3.572 1.00 0.00 C ATOM 646 O CYS A 44 1.116 -6.619 -3.279 1.00 0.00 O ATOM 647 CB CYS A 44 4.018 -5.356 -3.220 1.00 0.00 C ATOM 648 SG CYS A 44 5.007 -4.580 -1.933 1.00 0.00 S ATOM 0 H CYS A 44 5.297 -7.537 -3.128 1.00 0.00 H new ATOM 0 HA CYS A 44 3.102 -6.484 -1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.637 -5.573 -4.091 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.231 -4.678 -3.549 1.00 0.00 H new ATOM 653 N CYS A 45 2.484 -7.683 -4.671 1.00 0.00 N ATOM 654 CA CYS A 45 1.371 -8.061 -5.603 1.00 0.00 C ATOM 655 C CYS A 45 0.510 -9.146 -4.955 1.00 0.00 C ATOM 656 O CYS A 45 -0.694 -9.190 -5.170 1.00 0.00 O ATOM 657 CB CYS A 45 1.937 -8.574 -6.938 1.00 0.00 C ATOM 658 SG CYS A 45 2.408 -7.205 -8.048 1.00 0.00 S ATOM 0 H CYS A 45 3.410 -8.001 -4.956 1.00 0.00 H new ATOM 0 HA CYS A 45 0.761 -7.179 -5.800 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.807 -9.202 -6.746 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.194 -9.201 -7.430 1.00 0.00 H new ATOM 663 N ARG A 46 1.110 -10.007 -4.150 1.00 0.00 N ATOM 664 CA ARG A 46 0.320 -11.081 -3.470 1.00 0.00 C ATOM 665 C ARG A 46 -0.565 -10.418 -2.421 1.00 0.00 C ATOM 666 O ARG A 46 -1.692 -10.833 -2.196 1.00 0.00 O ATOM 667 CB ARG A 46 1.262 -12.080 -2.798 1.00 0.00 C ATOM 668 CG ARG A 46 0.534 -13.411 -2.592 1.00 0.00 C ATOM 669 CD ARG A 46 0.661 -14.280 -3.849 1.00 0.00 C ATOM 670 NE ARG A 46 1.354 -15.552 -3.500 1.00 0.00 N ATOM 671 CZ ARG A 46 2.617 -15.710 -3.794 1.00 0.00 C ATOM 672 NH1 ARG A 46 3.501 -14.863 -3.343 1.00 0.00 N ATOM 673 NH2 ARG A 46 2.993 -16.713 -4.537 1.00 0.00 N ATOM 0 H ARG A 46 2.108 -10.006 -3.940 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.288 -11.620 -4.197 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.149 -12.230 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.602 -11.687 -1.840 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.954 -13.935 -1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.518 -13.229 -2.371 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.326 -14.491 -4.260 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.220 -13.747 -4.619 1.00 0.00 H new ATOM 0 HE ARG A 46 0.842 -16.300 -3.031 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.206 -14.079 -2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.487 -14.985 -3.572 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.301 -17.375 -4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.979 -16.836 -4.766 1.00 0.00 H new ATOM 687 N GLN A 47 -0.060 -9.368 -1.801 1.00 0.00 N ATOM 688 CA GLN A 47 -0.862 -8.625 -0.774 1.00 0.00 C ATOM 689 C GLN A 47 -1.878 -7.715 -1.483 1.00 0.00 C ATOM 690 O GLN A 47 -2.912 -7.374 -0.930 1.00 0.00 O ATOM 691 CB GLN A 47 0.071 -7.769 0.089 1.00 0.00 C ATOM 692 CG GLN A 47 1.220 -8.629 0.637 1.00 0.00 C ATOM 693 CD GLN A 47 1.256 -8.539 2.165 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.236 -8.650 2.816 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.396 -8.339 2.768 1.00 0.00 N ATOM 0 H GLN A 47 0.875 -8.996 -1.965 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.388 -9.339 -0.139 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.472 -6.946 -0.502 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.488 -7.327 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.089 -9.666 0.328 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.169 -8.290 0.222 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.252 -8.246 2.222 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.431 -8.276 3.785 1.00 0.00 H new ATOM 704 N LEU A 48 -1.565 -7.313 -2.699 1.00 0.00 N ATOM 705 CA LEU A 48 -2.446 -6.408 -3.484 1.00 0.00 C ATOM 706 C LEU A 48 -3.716 -7.151 -3.898 1.00 0.00 C ATOM 707 O LEU A 48 -4.807 -6.621 -3.749 1.00 0.00 O ATOM 708 CB LEU A 48 -1.649 -5.906 -4.714 1.00 0.00 C ATOM 709 CG LEU A 48 -2.281 -4.648 -5.326 1.00 0.00 C ATOM 710 CD1 LEU A 48 -3.646 -4.993 -5.913 1.00 0.00 C ATOM 711 CD2 LEU A 48 -2.429 -3.552 -4.264 1.00 0.00 C ATOM 0 H LEU A 48 -0.710 -7.588 -3.183 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.753 -5.550 -2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.622 -5.690 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.606 -6.694 -5.466 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.631 -4.277 -6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.092 -4.098 -6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.528 -5.751 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.294 -5.376 -5.125 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.879 -2.667 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.067 -3.912 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.447 -3.297 -3.865 1.00 0.00 H new ATOM 723 N GLU A 49 -3.598 -8.368 -4.398 1.00 0.00 N ATOM 724 CA GLU A 49 -4.818 -9.133 -4.796 1.00 0.00 C ATOM 725 C GLU A 49 -5.468 -9.699 -3.533 1.00 0.00 C ATOM 726 O GLU A 49 -6.680 -9.695 -3.404 1.00 0.00 O ATOM 727 CB GLU A 49 -4.439 -10.265 -5.754 1.00 0.00 C ATOM 728 CG GLU A 49 -5.642 -10.619 -6.632 1.00 0.00 C ATOM 729 CD GLU A 49 -5.206 -11.590 -7.731 1.00 0.00 C ATOM 730 OE1 GLU A 49 -4.689 -12.642 -7.393 1.00 0.00 O ATOM 731 OE2 GLU A 49 -5.395 -11.265 -8.891 1.00 0.00 O ATOM 0 H GLU A 49 -2.713 -8.854 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.521 -8.476 -5.309 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.598 -9.961 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.118 -11.140 -5.190 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.428 -11.069 -6.026 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.060 -9.715 -7.076 1.00 0.00 H new ATOM 738 N ALA A 50 -4.662 -10.158 -2.580 1.00 0.00 N ATOM 739 CA ALA A 50 -5.212 -10.698 -1.286 1.00 0.00 C ATOM 740 C ALA A 50 -6.150 -9.644 -0.701 1.00 0.00 C ATOM 741 O ALA A 50 -7.197 -9.954 -0.166 1.00 0.00 O ATOM 742 CB ALA A 50 -4.064 -10.967 -0.310 1.00 0.00 C ATOM 0 H ALA A 50 -3.645 -10.178 -2.651 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.748 -11.631 -1.459 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.465 -11.358 0.625 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.381 -11.697 -0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.527 -10.039 -0.115 1.00 0.00 H new ATOM 748 N ILE A 51 -5.777 -8.395 -0.870 1.00 0.00 N ATOM 749 CA ILE A 51 -6.615 -7.252 -0.417 1.00 0.00 C ATOM 750 C ILE A 51 -7.615 -6.967 -1.559 1.00 0.00 C ATOM 751 O ILE A 51 -7.198 -6.485 -2.593 1.00 0.00 O ATOM 752 CB ILE A 51 -5.727 -6.030 -0.166 1.00 0.00 C ATOM 753 CG1 ILE A 51 -4.711 -6.362 0.932 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.590 -4.851 0.287 1.00 0.00 C ATOM 755 CD1 ILE A 51 -3.538 -5.382 0.864 1.00 0.00 C ATOM 0 H ILE A 51 -4.902 -8.121 -1.316 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.138 -7.478 0.512 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.206 -5.766 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.188 -6.306 1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.351 -7.384 0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.955 -3.983 0.465 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.319 -4.615 -0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.111 -5.114 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.818 -5.622 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.055 -5.460 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.904 -4.365 1.007 1.00 0.00 H new ATOM 767 N PRO A 52 -8.882 -7.338 -1.395 1.00 0.00 N ATOM 768 CA PRO A 52 -9.888 -7.176 -2.471 1.00 0.00 C ATOM 769 C PRO A 52 -10.094 -5.704 -2.825 1.00 0.00 C ATOM 770 O PRO A 52 -9.951 -4.827 -1.992 1.00 0.00 O ATOM 771 CB PRO A 52 -11.154 -7.825 -1.901 1.00 0.00 C ATOM 772 CG PRO A 52 -10.970 -7.849 -0.370 1.00 0.00 C ATOM 773 CD PRO A 52 -9.449 -7.881 -0.133 1.00 0.00 C ATOM 0 HA PRO A 52 -9.583 -7.642 -3.408 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.042 -7.257 -2.178 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.286 -8.833 -2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.420 -6.970 0.092 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.453 -8.722 0.069 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.165 -7.274 0.727 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.096 -8.894 0.061 1.00 0.00 H new ATOM 781 N ALA A 53 -10.415 -5.444 -4.079 1.00 0.00 N ATOM 782 CA ALA A 53 -10.627 -4.041 -4.570 1.00 0.00 C ATOM 783 C ALA A 53 -11.532 -3.264 -3.609 1.00 0.00 C ATOM 784 O ALA A 53 -11.427 -2.052 -3.502 1.00 0.00 O ATOM 785 CB ALA A 53 -11.254 -4.085 -5.962 1.00 0.00 C ATOM 0 H ALA A 53 -10.540 -6.162 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.665 -3.531 -4.618 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.410 -3.068 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.589 -4.614 -6.644 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.211 -4.604 -5.914 1.00 0.00 H new ATOM 791 N TYR A 54 -12.397 -3.959 -2.898 1.00 0.00 N ATOM 792 CA TYR A 54 -13.294 -3.283 -1.909 1.00 0.00 C ATOM 793 C TYR A 54 -12.426 -2.836 -0.733 1.00 0.00 C ATOM 794 O TYR A 54 -11.858 -3.662 -0.037 1.00 0.00 O ATOM 795 CB TYR A 54 -14.357 -4.268 -1.416 1.00 0.00 C ATOM 796 CG TYR A 54 -15.305 -4.611 -2.542 1.00 0.00 C ATOM 797 CD1 TYR A 54 -14.978 -5.630 -3.445 1.00 0.00 C ATOM 798 CD2 TYR A 54 -16.512 -3.915 -2.680 1.00 0.00 C ATOM 799 CE1 TYR A 54 -15.859 -5.951 -4.487 1.00 0.00 C ATOM 800 CE2 TYR A 54 -17.392 -4.237 -3.720 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.065 -5.254 -4.623 1.00 0.00 C ATOM 802 OH TYR A 54 -17.932 -5.570 -5.650 1.00 0.00 O ATOM 0 H TYR A 54 -12.517 -4.970 -2.964 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.796 -2.430 -2.366 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.880 -5.174 -1.042 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.910 -3.833 -0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -14.048 -6.168 -3.339 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -16.764 -3.129 -1.984 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -15.607 -6.736 -5.185 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -18.323 -3.700 -3.825 1.00 0.00 H new ATOM 0 HH TYR A 54 -18.722 -4.993 -5.600 1.00 0.00 H new ATOM 812 N CYS A 55 -12.306 -1.538 -0.518 1.00 0.00 N ATOM 813 CA CYS A 55 -11.454 -1.006 0.605 1.00 0.00 C ATOM 814 C CYS A 55 -9.958 -1.232 0.289 1.00 0.00 C ATOM 815 O CYS A 55 -9.113 -1.000 1.136 1.00 0.00 O ATOM 816 CB CYS A 55 -11.809 -1.719 1.921 1.00 0.00 C ATOM 817 SG CYS A 55 -13.608 -1.797 2.093 1.00 0.00 S ATOM 0 H CYS A 55 -12.766 -0.820 -1.078 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.644 0.062 0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.388 -2.724 1.928 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -11.374 -1.185 2.766 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.912 -2.401 3.203 1.00 0.00 H new ATOM 822 N ARG A 56 -9.621 -1.680 -0.924 1.00 0.00 N ATOM 823 CA ARG A 56 -8.185 -1.920 -1.304 1.00 0.00 C ATOM 824 C ARG A 56 -7.342 -0.671 -0.953 1.00 0.00 C ATOM 825 O ARG A 56 -6.863 -0.568 0.159 1.00 0.00 O ATOM 826 CB ARG A 56 -8.133 -2.241 -2.813 1.00 0.00 C ATOM 827 CG ARG A 56 -6.685 -2.336 -3.316 1.00 0.00 C ATOM 828 CD ARG A 56 -6.268 -3.812 -3.454 1.00 0.00 C ATOM 829 NE ARG A 56 -6.648 -4.387 -4.800 1.00 0.00 N ATOM 830 CZ ARG A 56 -6.471 -3.697 -5.904 1.00 0.00 C ATOM 831 NH1 ARG A 56 -5.482 -2.848 -6.003 1.00 0.00 N ATOM 832 NH2 ARG A 56 -7.281 -3.861 -6.910 1.00 0.00 N ATOM 0 H ARG A 56 -10.293 -1.887 -1.663 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.768 -2.762 -0.751 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.649 -3.182 -3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.663 -1.468 -3.369 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.592 -1.832 -4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.017 -1.825 -2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.190 -3.898 -3.315 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.740 -4.397 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.048 -5.324 -4.852 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.841 -2.718 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.351 -2.316 -6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.052 -4.525 -6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.144 -3.326 -7.767 1.00 0.00 H new ATOM 846 N CYS A 57 -7.148 0.254 -1.892 1.00 0.00 N ATOM 847 CA CYS A 57 -6.325 1.507 -1.634 1.00 0.00 C ATOM 848 C CYS A 57 -6.398 2.013 -0.168 1.00 0.00 C ATOM 849 O CYS A 57 -5.402 2.497 0.339 1.00 0.00 O ATOM 850 CB CYS A 57 -6.798 2.605 -2.590 1.00 0.00 C ATOM 851 SG CYS A 57 -6.433 2.100 -4.293 1.00 0.00 S ATOM 0 H CYS A 57 -7.530 0.192 -2.836 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.280 1.251 -1.809 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.868 2.775 -2.469 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.298 3.546 -2.360 1.00 0.00 H new ATOM 0 HG CYS A 57 -6.833 3.025 -5.115 1.00 0.00 H new ATOM 856 N GLU A 58 -7.544 1.911 0.513 1.00 0.00 N ATOM 857 CA GLU A 58 -7.659 2.384 1.944 1.00 0.00 C ATOM 858 C GLU A 58 -6.411 2.004 2.769 1.00 0.00 C ATOM 859 O GLU A 58 -5.834 2.849 3.418 1.00 0.00 O ATOM 860 CB GLU A 58 -8.894 1.753 2.589 1.00 0.00 C ATOM 861 CG GLU A 58 -9.290 2.559 3.830 1.00 0.00 C ATOM 862 CD GLU A 58 -10.814 2.602 3.948 1.00 0.00 C ATOM 863 OE1 GLU A 58 -11.446 3.087 3.022 1.00 0.00 O ATOM 864 OE2 GLU A 58 -11.324 2.150 4.959 1.00 0.00 O ATOM 0 H GLU A 58 -8.403 1.517 0.128 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.745 3.471 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.719 1.733 1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.685 0.719 2.865 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.859 2.107 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.892 3.571 3.761 1.00 0.00 H new ATOM 871 N ALA A 59 -6.011 0.740 2.756 1.00 0.00 N ATOM 872 CA ALA A 59 -4.806 0.276 3.540 1.00 0.00 C ATOM 873 C ALA A 59 -3.617 1.243 3.402 1.00 0.00 C ATOM 874 O ALA A 59 -2.998 1.604 4.387 1.00 0.00 O ATOM 875 CB ALA A 59 -4.388 -1.110 3.051 1.00 0.00 C ATOM 0 H ALA A 59 -6.477 0.003 2.227 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.088 0.244 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.518 -1.448 3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.210 -1.811 3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.137 -1.062 1.991 1.00 0.00 H new ATOM 881 N VAL A 60 -3.296 1.664 2.196 1.00 0.00 N ATOM 882 CA VAL A 60 -2.146 2.624 1.979 1.00 0.00 C ATOM 883 C VAL A 60 -2.321 3.813 2.933 1.00 0.00 C ATOM 884 O VAL A 60 -1.396 4.231 3.640 1.00 0.00 O ATOM 885 CB VAL A 60 -2.159 3.116 0.527 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.943 4.009 0.274 1.00 0.00 C ATOM 887 CG2 VAL A 60 -2.111 1.915 -0.427 1.00 0.00 C ATOM 0 H VAL A 60 -3.782 1.384 1.344 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.196 2.127 2.175 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.072 3.685 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.956 4.357 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.975 4.867 0.946 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.030 3.441 0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.120 2.269 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.200 1.344 -0.248 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.978 1.278 -0.254 1.00 0.00 H new ATOM 897 N ARG A 61 -3.532 4.324 2.978 1.00 0.00 N ATOM 898 CA ARG A 61 -3.857 5.454 3.899 1.00 0.00 C ATOM 899 C ARG A 61 -3.565 5.008 5.338 1.00 0.00 C ATOM 900 O ARG A 61 -2.880 5.676 6.062 1.00 0.00 O ATOM 901 CB ARG A 61 -5.338 5.817 3.764 1.00 0.00 C ATOM 902 CG ARG A 61 -5.628 7.084 4.571 1.00 0.00 C ATOM 903 CD ARG A 61 -5.110 8.305 3.809 1.00 0.00 C ATOM 904 NE ARG A 61 -5.940 9.495 4.154 1.00 0.00 N ATOM 905 CZ ARG A 61 -5.671 10.657 3.623 1.00 0.00 C ATOM 906 NH1 ARG A 61 -5.681 10.802 2.325 1.00 0.00 N ATOM 907 NH2 ARG A 61 -5.393 11.675 4.390 1.00 0.00 N ATOM 0 H ARG A 61 -4.314 4.000 2.408 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.254 6.327 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.591 5.975 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.959 4.995 4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.700 7.179 4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.150 7.023 5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.066 8.490 4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.148 8.120 2.735 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.719 9.401 4.806 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.899 10.007 1.725 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.471 11.710 1.912 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.386 11.563 5.404 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.183 12.583 3.976 1.00 0.00 H new ATOM 921 N ILE A 62 -4.070 3.862 5.731 1.00 0.00 N ATOM 922 CA ILE A 62 -3.833 3.310 7.108 1.00 0.00 C ATOM 923 C ILE A 62 -2.335 3.302 7.421 1.00 0.00 C ATOM 924 O ILE A 62 -1.947 3.358 8.576 1.00 0.00 O ATOM 925 CB ILE A 62 -4.394 1.873 7.143 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.931 1.911 7.043 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.966 1.141 8.417 1.00 0.00 C ATOM 928 CD1 ILE A 62 -6.534 2.719 8.200 1.00 0.00 C ATOM 0 H ILE A 62 -4.653 3.269 5.139 1.00 0.00 H new ATOM 0 HA ILE A 62 -4.330 3.928 7.856 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.989 1.327 6.291 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.227 2.353 6.092 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.326 0.895 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.377 0.131 8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.878 1.090 8.459 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.338 1.680 9.289 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.620 2.732 8.108 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.256 2.260 9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.155 3.741 8.167 1.00 0.00 H new ATOM 940 N LEU A 63 -1.506 3.217 6.411 1.00 0.00 N ATOM 941 CA LEU A 63 -0.039 3.203 6.652 1.00 0.00 C ATOM 942 C LEU A 63 0.443 4.617 6.924 1.00 0.00 C ATOM 943 O LEU A 63 1.281 4.827 7.786 1.00 0.00 O ATOM 944 CB LEU A 63 0.696 2.615 5.441 1.00 0.00 C ATOM 945 CG LEU A 63 2.205 2.511 5.737 1.00 0.00 C ATOM 946 CD1 LEU A 63 2.626 1.039 5.768 1.00 0.00 C ATOM 947 CD2 LEU A 63 2.998 3.239 4.645 1.00 0.00 C ATOM 0 H LEU A 63 -1.786 3.157 5.432 1.00 0.00 H new ATOM 0 HA LEU A 63 0.174 2.578 7.519 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.295 1.629 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.532 3.243 4.566 1.00 0.00 H new ATOM 0 HG LEU A 63 2.410 2.970 6.704 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.693 0.970 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.069 0.518 6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.416 0.580 4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.064 3.163 4.858 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.788 2.783 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.706 4.289 4.622 1.00 0.00 H new ATOM 959 N MET A 64 -0.072 5.582 6.197 1.00 0.00 N ATOM 960 CA MET A 64 0.366 6.996 6.417 1.00 0.00 C ATOM 961 C MET A 64 -0.299 7.576 7.681 1.00 0.00 C ATOM 962 O MET A 64 0.381 8.060 8.571 1.00 0.00 O ATOM 963 CB MET A 64 -0.018 7.845 5.198 1.00 0.00 C ATOM 964 CG MET A 64 0.543 9.259 5.358 1.00 0.00 C ATOM 965 SD MET A 64 -0.225 10.352 4.137 1.00 0.00 S ATOM 966 CE MET A 64 -1.442 11.107 5.242 1.00 0.00 C ATOM 0 H MET A 64 -0.772 5.452 5.466 1.00 0.00 H new ATOM 0 HA MET A 64 1.447 7.013 6.552 1.00 0.00 H new ATOM 0 HB2 MET A 64 0.372 7.389 4.288 1.00 0.00 H new ATOM 0 HB3 MET A 64 -1.103 7.883 5.096 1.00 0.00 H new ATOM 0 HG2 MET A 64 0.349 9.627 6.365 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.625 9.250 5.225 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.362 11.303 4.691 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.652 10.429 6.069 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.046 12.044 5.633 1.00 0.00 H new ATOM 976 N ASP A 65 -1.618 7.542 7.754 1.00 0.00 N ATOM 977 CA ASP A 65 -2.350 8.100 8.941 1.00 0.00 C ATOM 978 C ASP A 65 -2.363 7.108 10.118 1.00 0.00 C ATOM 979 O ASP A 65 -2.519 7.519 11.256 1.00 0.00 O ATOM 980 CB ASP A 65 -3.793 8.542 8.572 1.00 0.00 C ATOM 981 CG ASP A 65 -3.737 9.920 7.912 1.00 0.00 C ATOM 982 OD1 ASP A 65 -3.347 10.861 8.584 1.00 0.00 O ATOM 983 OD2 ASP A 65 -4.086 10.013 6.746 1.00 0.00 O ATOM 0 H ASP A 65 -2.221 7.147 7.032 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.804 8.988 9.260 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.247 7.818 7.895 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.416 8.577 9.466 1.00 0.00 H new ATOM 988 N GLY A 66 -2.215 5.813 9.861 1.00 0.00 N ATOM 989 CA GLY A 66 -2.239 4.805 10.979 1.00 0.00 C ATOM 990 C GLY A 66 -3.688 4.374 11.282 1.00 0.00 C ATOM 991 O GLY A 66 -4.620 5.143 11.121 1.00 0.00 O ATOM 0 H GLY A 66 -2.080 5.420 8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.643 3.934 10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.785 5.233 11.873 1.00 0.00 H new ATOM 995 N VAL A 67 -3.862 3.140 11.713 1.00 0.00 N ATOM 996 CA VAL A 67 -5.230 2.589 12.038 1.00 0.00 C ATOM 997 C VAL A 67 -5.321 2.208 13.522 1.00 0.00 C ATOM 998 O VAL A 67 -4.320 1.995 14.182 1.00 0.00 O ATOM 999 CB VAL A 67 -5.516 1.341 11.187 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.462 0.254 11.462 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.917 0.793 11.505 1.00 0.00 C ATOM 0 H VAL A 67 -3.100 2.478 11.856 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.965 3.363 11.817 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.471 1.622 10.135 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.677 -0.624 10.853 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.472 0.636 11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.489 -0.021 12.516 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.109 -0.091 10.896 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.972 0.526 12.560 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.665 1.555 11.284 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.535 2.109 14.024 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.755 1.726 15.450 1.00 0.00 C ATOM 1013 C VAL A 68 -7.474 0.371 15.471 1.00 0.00 C ATOM 1014 O VAL A 68 -8.092 -0.038 14.502 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.587 2.805 16.171 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.047 2.305 17.552 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.720 4.054 16.362 1.00 0.00 C ATOM 0 H VAL A 68 -7.389 2.281 13.494 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.803 1.645 15.974 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.465 3.033 15.567 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -8.632 3.082 18.044 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.659 1.412 17.430 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.175 2.067 18.162 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.299 4.824 16.871 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.845 3.802 16.961 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.398 4.426 15.389 1.00 0.00 H new ATOM 1027 N THR A 69 -7.334 -0.328 16.569 1.00 0.00 N ATOM 1028 CA THR A 69 -7.926 -1.687 16.722 1.00 0.00 C ATOM 1029 C THR A 69 -8.948 -1.691 17.853 1.00 0.00 C ATOM 1030 O THR A 69 -8.976 -0.805 18.686 1.00 0.00 O ATOM 1031 CB THR A 69 -6.818 -2.707 17.001 1.00 0.00 C ATOM 1032 OG1 THR A 69 -6.012 -2.256 18.076 1.00 0.00 O ATOM 1033 CG2 THR A 69 -5.954 -2.870 15.749 1.00 0.00 C ATOM 0 H THR A 69 -6.819 -0.001 17.387 1.00 0.00 H new ATOM 0 HA THR A 69 -8.433 -1.961 15.797 1.00 0.00 H new ATOM 0 HB THR A 69 -7.266 -3.665 17.265 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.388 -1.573 17.753 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.164 -3.595 15.944 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.573 -3.221 14.923 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.509 -1.910 15.487 1.00 0.00 H new ATOM 1041 N SER A 70 -9.813 -2.670 17.830 1.00 0.00 N ATOM 1042 CA SER A 70 -10.902 -2.798 18.846 1.00 0.00 C ATOM 1043 C SER A 70 -10.315 -2.977 20.245 1.00 0.00 C ATOM 1044 O SER A 70 -10.912 -2.580 21.234 1.00 0.00 O ATOM 1045 CB SER A 70 -11.759 -4.012 18.488 1.00 0.00 C ATOM 1046 OG SER A 70 -12.922 -4.029 19.306 1.00 0.00 O ATOM 0 H SER A 70 -9.810 -3.409 17.127 1.00 0.00 H new ATOM 0 HA SER A 70 -11.508 -1.892 18.844 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.042 -3.973 17.436 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.187 -4.929 18.631 1.00 0.00 H new ATOM 0 HG SER A 70 -13.473 -4.806 19.076 1.00 0.00 H new ATOM 1052 N SER A 71 -9.154 -3.571 20.321 1.00 0.00 N ATOM 1053 CA SER A 71 -8.479 -3.804 21.639 1.00 0.00 C ATOM 1054 C SER A 71 -7.956 -2.481 22.216 1.00 0.00 C ATOM 1055 O SER A 71 -7.645 -2.402 23.394 1.00 0.00 O ATOM 1056 CB SER A 71 -7.307 -4.768 21.450 1.00 0.00 C ATOM 1057 OG SER A 71 -6.608 -4.433 20.257 1.00 0.00 O ATOM 0 H SER A 71 -8.633 -3.912 19.513 1.00 0.00 H new ATOM 0 HA SER A 71 -9.204 -4.231 22.331 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.635 -4.713 22.306 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.671 -5.794 21.396 1.00 0.00 H new ATOM 0 HG SER A 71 -5.855 -5.049 20.135 1.00 0.00 H new ATOM 1063 N GLY A 72 -7.845 -1.453 21.394 1.00 0.00 N ATOM 1064 CA GLY A 72 -7.327 -0.133 21.876 1.00 0.00 C ATOM 1065 C GLY A 72 -5.853 0.019 21.465 1.00 0.00 C ATOM 1066 O GLY A 72 -5.159 0.882 21.978 1.00 0.00 O ATOM 0 H GLY A 72 -8.094 -1.478 20.405 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.919 0.679 21.453 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.422 -0.066 22.960 1.00 0.00 H new ATOM 1070 N GLN A 73 -5.367 -0.813 20.547 1.00 0.00 N ATOM 1071 CA GLN A 73 -3.936 -0.719 20.107 1.00 0.00 C ATOM 1072 C GLN A 73 -3.874 -0.035 18.740 1.00 0.00 C ATOM 1073 O GLN A 73 -4.837 -0.052 18.006 1.00 0.00 O ATOM 1074 CB GLN A 73 -3.343 -2.127 20.010 1.00 0.00 C ATOM 1075 CG GLN A 73 -3.231 -2.735 21.412 1.00 0.00 C ATOM 1076 CD GLN A 73 -1.807 -2.546 21.943 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -1.615 -2.055 23.038 1.00 0.00 O ATOM 1078 NE2 GLN A 73 -0.796 -2.919 21.208 1.00 0.00 N ATOM 0 H GLN A 73 -5.908 -1.548 20.091 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.364 -0.137 20.829 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -3.972 -2.755 19.379 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -2.360 -2.087 19.540 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.946 -2.260 22.083 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.480 -3.796 21.380 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.958 -3.331 20.289 1.00 0.00 H new ATOM 0 HE22 GLN A 73 0.157 -2.799 21.552 1.00 0.00 H new ATOM 1087 N HIS A 74 -2.752 0.562 18.396 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.625 1.251 17.077 1.00 0.00 C ATOM 1089 C HIS A 74 -1.577 0.518 16.244 1.00 0.00 C ATOM 1090 O HIS A 74 -0.705 -0.144 16.784 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.142 2.684 17.287 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.275 3.585 17.712 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.401 4.880 17.227 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.321 3.411 18.586 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.484 5.428 17.807 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -5.082 4.577 18.645 1.00 0.00 N ATOM 0 H HIS A 74 -1.917 0.599 18.980 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.593 1.254 16.576 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.358 2.699 18.044 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.701 3.061 16.364 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.523 2.508 19.143 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.828 6.434 17.618 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.916 4.745 19.207 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.665 0.637 14.939 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.687 -0.045 14.034 1.00 0.00 C ATOM 1106 C GLU A 75 -0.431 0.817 12.805 1.00 0.00 C ATOM 1107 O GLU A 75 -0.912 1.935 12.710 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.226 -1.414 13.610 1.00 0.00 C ATOM 1109 CG GLU A 75 -1.601 -2.221 14.853 1.00 0.00 C ATOM 1110 CD GLU A 75 -1.613 -3.713 14.519 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -0.583 -4.215 14.097 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -2.653 -4.328 14.691 1.00 0.00 O ATOM 0 H GLU A 75 -2.380 1.183 14.459 1.00 0.00 H new ATOM 0 HA GLU A 75 0.251 -0.188 14.571 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.097 -1.290 12.967 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.474 -1.949 13.029 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.888 -2.024 15.654 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -2.581 -1.912 15.216 1.00 0.00 H new ATOM 1119 N GLY A 76 0.351 0.305 11.876 1.00 0.00 N ATOM 1120 CA GLY A 76 0.691 1.078 10.643 1.00 0.00 C ATOM 1121 C GLY A 76 1.397 2.367 11.060 1.00 0.00 C ATOM 1122 O GLY A 76 2.076 2.405 12.074 1.00 0.00 O ATOM 0 H GLY A 76 0.769 -0.624 11.925 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.334 0.487 9.991 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.212 1.306 10.078 1.00 0.00 H new ATOM 1126 N ARG A 77 1.222 3.422 10.298 1.00 0.00 N ATOM 1127 CA ARG A 77 1.860 4.735 10.642 1.00 0.00 C ATOM 1128 C ARG A 77 3.389 4.575 10.751 1.00 0.00 C ATOM 1129 O ARG A 77 4.053 5.377 11.391 1.00 0.00 O ATOM 1130 CB ARG A 77 1.305 5.209 11.990 1.00 0.00 C ATOM 1131 CG ARG A 77 1.580 6.704 12.164 1.00 0.00 C ATOM 1132 CD ARG A 77 0.600 7.281 13.186 1.00 0.00 C ATOM 1133 NE ARG A 77 1.082 8.615 13.645 1.00 0.00 N ATOM 1134 CZ ARG A 77 0.770 9.044 14.837 1.00 0.00 C ATOM 1135 NH1 ARG A 77 -0.482 9.217 15.161 1.00 0.00 N ATOM 1136 NH2 ARG A 77 1.709 9.298 15.707 1.00 0.00 N ATOM 0 H ARG A 77 0.661 3.430 9.446 1.00 0.00 H new ATOM 0 HA ARG A 77 1.638 5.462 9.860 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.233 5.018 12.040 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.767 4.648 12.802 1.00 0.00 H new ATOM 0 HG2 ARG A 77 2.606 6.861 12.498 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.473 7.219 11.209 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.391 7.375 12.742 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.506 6.605 14.036 1.00 0.00 H new ATOM 0 HE ARG A 77 1.655 9.191 13.028 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.217 9.017 14.482 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.726 9.552 16.093 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.688 9.161 15.455 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.464 9.633 16.639 1.00 0.00 H new ATOM 1150 N LEU A 78 3.944 3.543 10.139 1.00 0.00 N ATOM 1151 CA LEU A 78 5.419 3.309 10.209 1.00 0.00 C ATOM 1152 C LEU A 78 6.153 4.176 9.183 1.00 0.00 C ATOM 1153 O LEU A 78 7.361 4.330 9.273 1.00 0.00 O ATOM 1154 CB LEU A 78 5.711 1.834 9.934 1.00 0.00 C ATOM 1155 CG LEU A 78 5.011 0.972 10.991 1.00 0.00 C ATOM 1156 CD1 LEU A 78 4.472 -0.299 10.333 1.00 0.00 C ATOM 1157 CD2 LEU A 78 6.009 0.597 12.096 1.00 0.00 C ATOM 0 H LEU A 78 3.428 2.853 9.593 1.00 0.00 H new ATOM 0 HA LEU A 78 5.770 3.578 11.205 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.362 1.562 8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.786 1.654 9.956 1.00 0.00 H new ATOM 0 HG LEU A 78 4.186 1.533 11.429 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.974 -0.914 11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.760 -0.031 9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.297 -0.860 9.894 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.508 -0.016 12.846 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.837 0.036 11.663 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.391 1.504 12.565 1.00 0.00 H new ATOM 1169 N LEU A 79 5.447 4.748 8.215 1.00 0.00 N ATOM 1170 CA LEU A 79 6.118 5.611 7.189 1.00 0.00 C ATOM 1171 C LEU A 79 6.824 6.769 7.901 1.00 0.00 C ATOM 1172 O LEU A 79 6.231 7.804 8.170 1.00 0.00 O ATOM 1173 CB LEU A 79 5.073 6.152 6.206 1.00 0.00 C ATOM 1174 CG LEU A 79 5.755 6.509 4.880 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.827 6.153 3.715 1.00 0.00 C ATOM 1176 CD2 LEU A 79 6.075 8.011 4.849 1.00 0.00 C ATOM 0 H LEU A 79 4.438 4.649 8.100 1.00 0.00 H new ATOM 0 HA LEU A 79 6.850 5.027 6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.296 5.407 6.038 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.585 7.032 6.625 1.00 0.00 H new ATOM 0 HG LEU A 79 6.683 5.945 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.312 6.407 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.611 5.085 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.897 6.713 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.560 8.260 3.905 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.151 8.582 4.945 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.741 8.258 5.675 1.00 0.00 H new ATOM 1188 N GLN A 80 8.086 6.581 8.220 1.00 0.00 N ATOM 1189 CA GLN A 80 8.868 7.637 8.931 1.00 0.00 C ATOM 1190 C GLN A 80 10.198 7.861 8.221 1.00 0.00 C ATOM 1191 O GLN A 80 10.511 7.202 7.241 1.00 0.00 O ATOM 1192 CB GLN A 80 9.130 7.190 10.372 1.00 0.00 C ATOM 1193 CG GLN A 80 7.824 7.243 11.183 1.00 0.00 C ATOM 1194 CD GLN A 80 7.943 8.288 12.296 1.00 0.00 C ATOM 1195 OE1 GLN A 80 8.862 8.248 13.089 1.00 0.00 O ATOM 1196 NE2 GLN A 80 7.042 9.229 12.388 1.00 0.00 N ATOM 0 H GLN A 80 8.609 5.730 8.014 1.00 0.00 H new ATOM 0 HA GLN A 80 8.300 8.567 8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.532 6.177 10.380 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.880 7.834 10.831 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.989 7.490 10.528 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.613 6.264 11.613 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.270 9.263 11.722 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.110 9.930 13.126 1.00 0.00 H new ATOM 1205 N ASP A 81 10.965 8.800 8.714 1.00 0.00 N ATOM 1206 CA ASP A 81 12.281 9.124 8.099 1.00 0.00 C ATOM 1207 C ASP A 81 13.329 8.076 8.480 1.00 0.00 C ATOM 1208 O ASP A 81 13.881 8.092 9.568 1.00 0.00 O ATOM 1209 CB ASP A 81 12.745 10.501 8.576 1.00 0.00 C ATOM 1210 CG ASP A 81 11.676 11.545 8.246 1.00 0.00 C ATOM 1211 OD1 ASP A 81 10.577 11.423 8.763 1.00 0.00 O ATOM 1212 OD2 ASP A 81 11.974 12.449 7.484 1.00 0.00 O ATOM 0 H ASP A 81 10.728 9.363 9.531 1.00 0.00 H new ATOM 0 HA ASP A 81 12.165 9.126 7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.930 10.482 9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.687 10.765 8.095 1.00 0.00 H new ATOM 1217 N LEU A 82 13.626 7.203 7.552 1.00 0.00 N ATOM 1218 CA LEU A 82 14.671 6.151 7.754 1.00 0.00 C ATOM 1219 C LEU A 82 16.047 6.823 7.572 1.00 0.00 C ATOM 1220 O LEU A 82 16.097 7.963 7.129 1.00 0.00 O ATOM 1221 CB LEU A 82 14.474 5.054 6.692 1.00 0.00 C ATOM 1222 CG LEU A 82 13.374 4.082 7.131 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.866 3.297 5.919 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.940 3.096 8.155 1.00 0.00 C ATOM 0 H LEU A 82 13.176 7.174 6.637 1.00 0.00 H new ATOM 0 HA LEU A 82 14.602 5.703 8.745 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.209 5.507 5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.408 4.513 6.540 1.00 0.00 H new ATOM 0 HG LEU A 82 12.555 4.648 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.084 2.607 6.235 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.463 3.989 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.690 2.735 5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.157 2.405 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.760 2.536 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.307 3.644 9.023 1.00 0.00 H new ATOM 1236 N PRO A 83 17.134 6.135 7.899 1.00 0.00 N ATOM 1237 CA PRO A 83 18.477 6.721 7.737 1.00 0.00 C ATOM 1238 C PRO A 83 18.813 6.821 6.249 1.00 0.00 C ATOM 1239 O PRO A 83 19.227 5.857 5.627 1.00 0.00 O ATOM 1240 CB PRO A 83 19.401 5.754 8.484 1.00 0.00 C ATOM 1241 CG PRO A 83 18.644 4.411 8.573 1.00 0.00 C ATOM 1242 CD PRO A 83 17.145 4.748 8.438 1.00 0.00 C ATOM 0 HA PRO A 83 18.569 7.733 8.132 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.346 5.633 7.955 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.638 6.133 9.478 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.962 3.732 7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.846 3.913 9.521 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.639 4.055 7.766 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.635 4.689 9.399 1.00 0.00 H new ATOM 1250 N GLY A 84 18.623 7.999 5.690 1.00 0.00 N ATOM 1251 CA GLY A 84 18.907 8.233 4.242 1.00 0.00 C ATOM 1252 C GLY A 84 17.598 8.254 3.422 1.00 0.00 C ATOM 1253 O GLY A 84 17.648 8.409 2.213 1.00 0.00 O ATOM 0 H GLY A 84 18.277 8.818 6.190 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.434 9.179 4.119 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.565 7.450 3.865 1.00 0.00 H new ATOM 1257 N CYS A 85 16.432 8.102 4.056 1.00 0.00 N ATOM 1258 CA CYS A 85 15.140 8.111 3.285 1.00 0.00 C ATOM 1259 C CYS A 85 14.076 8.907 4.083 1.00 0.00 C ATOM 1260 O CYS A 85 13.400 8.330 4.910 1.00 0.00 O ATOM 1261 CB CYS A 85 14.634 6.669 3.088 1.00 0.00 C ATOM 1262 SG CYS A 85 16.015 5.544 2.773 1.00 0.00 S ATOM 0 H CYS A 85 16.333 7.974 5.063 1.00 0.00 H new ATOM 0 HA CYS A 85 15.309 8.574 2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 85 14.090 6.345 3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.933 6.635 2.254 1.00 0.00 H new ATOM 1267 N PRO A 86 13.949 10.207 3.845 1.00 0.00 N ATOM 1268 CA PRO A 86 12.969 11.035 4.587 1.00 0.00 C ATOM 1269 C PRO A 86 11.536 10.739 4.147 1.00 0.00 C ATOM 1270 O PRO A 86 11.311 10.176 3.089 1.00 0.00 O ATOM 1271 CB PRO A 86 13.346 12.476 4.226 1.00 0.00 C ATOM 1272 CG PRO A 86 14.160 12.401 2.917 1.00 0.00 C ATOM 1273 CD PRO A 86 14.723 10.969 2.829 1.00 0.00 C ATOM 0 HA PRO A 86 13.001 10.838 5.659 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.454 13.089 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.933 12.935 5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.530 12.623 2.056 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.966 13.135 2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.590 10.550 1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.791 10.948 3.044 1.00 0.00 H new ATOM 1281 N ARG A 87 10.560 11.147 4.949 1.00 0.00 N ATOM 1282 CA ARG A 87 9.120 10.945 4.600 1.00 0.00 C ATOM 1283 C ARG A 87 8.866 11.406 3.162 1.00 0.00 C ATOM 1284 O ARG A 87 7.957 10.938 2.501 1.00 0.00 O ATOM 1285 CB ARG A 87 8.265 11.830 5.506 1.00 0.00 C ATOM 1286 CG ARG A 87 8.487 11.470 6.975 1.00 0.00 C ATOM 1287 CD ARG A 87 7.163 11.039 7.614 1.00 0.00 C ATOM 1288 NE ARG A 87 6.181 12.157 7.526 1.00 0.00 N ATOM 1289 CZ ARG A 87 5.938 12.897 8.573 1.00 0.00 C ATOM 1290 NH1 ARG A 87 6.833 13.749 8.992 1.00 0.00 N ATOM 1291 NH2 ARG A 87 4.800 12.785 9.202 1.00 0.00 N ATOM 0 H ARG A 87 10.715 11.617 5.841 1.00 0.00 H new ATOM 0 HA ARG A 87 8.873 9.890 4.717 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.515 12.878 5.341 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.212 11.710 5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.218 10.665 7.054 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.897 12.327 7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.772 10.157 7.107 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.323 10.763 8.656 1.00 0.00 H new ATOM 0 HE ARG A 87 5.699 12.344 6.647 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.723 13.837 8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 87 6.643 14.327 9.810 1.00 0.00 H new ATOM 0 HH21 ARG A 87 4.100 12.119 8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 87 4.611 13.364 10.020 1.00 0.00 H new ATOM 1305 N GLN A 88 9.651 12.364 2.711 1.00 0.00 N ATOM 1306 CA GLN A 88 9.472 12.941 1.334 1.00 0.00 C ATOM 1307 C GLN A 88 9.617 11.869 0.235 1.00 0.00 C ATOM 1308 O GLN A 88 8.815 11.821 -0.690 1.00 0.00 O ATOM 1309 CB GLN A 88 10.517 14.050 1.115 1.00 0.00 C ATOM 1310 CG GLN A 88 9.837 15.423 1.154 1.00 0.00 C ATOM 1311 CD GLN A 88 9.319 15.696 2.567 1.00 0.00 C ATOM 1312 OE1 GLN A 88 10.014 15.469 3.537 1.00 0.00 O ATOM 1313 NE2 GLN A 88 8.116 16.179 2.725 1.00 0.00 N ATOM 0 H GLN A 88 10.417 12.774 3.246 1.00 0.00 H new ATOM 0 HA GLN A 88 8.463 13.347 1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.287 13.994 1.885 1.00 0.00 H new ATOM 0 HB3 GLN A 88 11.015 13.908 0.156 1.00 0.00 H new ATOM 0 HG2 GLN A 88 10.543 16.199 0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.013 15.453 0.441 1.00 0.00 H new ATOM 0 HE21 GLN A 88 7.532 16.370 1.911 1.00 0.00 H new ATOM 0 HE22 GLN A 88 7.760 16.365 3.663 1.00 0.00 H new ATOM 1322 N VAL A 89 10.634 11.032 0.312 1.00 0.00 N ATOM 1323 CA VAL A 89 10.857 9.991 -0.732 1.00 0.00 C ATOM 1324 C VAL A 89 9.759 8.939 -0.655 1.00 0.00 C ATOM 1325 O VAL A 89 9.260 8.481 -1.672 1.00 0.00 O ATOM 1326 CB VAL A 89 12.218 9.357 -0.484 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.522 8.324 -1.568 1.00 0.00 C ATOM 1328 CG2 VAL A 89 13.272 10.449 -0.514 1.00 0.00 C ATOM 0 H VAL A 89 11.322 11.033 1.065 1.00 0.00 H new ATOM 0 HA VAL A 89 10.831 10.437 -1.726 1.00 0.00 H new ATOM 0 HB VAL A 89 12.219 8.858 0.485 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.498 7.877 -1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.758 7.547 -1.554 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.527 8.811 -2.543 1.00 0.00 H new ATOM 0 HG21 VAL A 89 14.255 10.011 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 89 13.262 10.938 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.057 11.183 0.262 1.00 0.00 H new ATOM 1338 N GLN A 90 9.381 8.567 0.542 1.00 0.00 N ATOM 1339 CA GLN A 90 8.301 7.548 0.719 1.00 0.00 C ATOM 1340 C GLN A 90 6.988 8.120 0.180 1.00 0.00 C ATOM 1341 O GLN A 90 6.115 7.381 -0.245 1.00 0.00 O ATOM 1342 CB GLN A 90 8.146 7.208 2.204 1.00 0.00 C ATOM 1343 CG GLN A 90 8.911 5.920 2.520 1.00 0.00 C ATOM 1344 CD GLN A 90 10.415 6.175 2.404 1.00 0.00 C ATOM 1345 OE1 GLN A 90 11.029 5.813 1.420 1.00 0.00 O ATOM 1346 NE2 GLN A 90 11.040 6.783 3.375 1.00 0.00 N ATOM 0 H GLN A 90 9.777 8.928 1.410 1.00 0.00 H new ATOM 0 HA GLN A 90 8.559 6.640 0.175 1.00 0.00 H new ATOM 0 HB2 GLN A 90 8.524 8.027 2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.091 7.086 2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 90 8.667 5.577 3.525 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.612 5.129 1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.525 7.087 4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.043 6.954 3.308 1.00 0.00 H new ATOM 1355 N ARG A 91 6.850 9.432 0.200 1.00 0.00 N ATOM 1356 CA ARG A 91 5.603 10.086 -0.308 1.00 0.00 C ATOM 1357 C ARG A 91 5.627 10.131 -1.842 1.00 0.00 C ATOM 1358 O ARG A 91 4.592 10.023 -2.482 1.00 0.00 O ATOM 1359 CB ARG A 91 5.496 11.510 0.262 1.00 0.00 C ATOM 1360 CG ARG A 91 4.091 11.738 0.847 1.00 0.00 C ATOM 1361 CD ARG A 91 4.167 11.811 2.377 1.00 0.00 C ATOM 1362 NE ARG A 91 2.838 11.469 2.966 1.00 0.00 N ATOM 1363 CZ ARG A 91 2.265 12.290 3.805 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.626 13.338 3.360 1.00 0.00 N ATOM 1365 NH2 ARG A 91 2.327 12.060 5.089 1.00 0.00 N ATOM 0 H ARG A 91 7.557 10.078 0.551 1.00 0.00 H new ATOM 0 HA ARG A 91 4.736 9.509 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.250 11.659 1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.696 12.240 -0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.668 12.661 0.451 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.426 10.928 0.546 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.927 11.122 2.746 1.00 0.00 H new ATOM 0 HD3 ARG A 91 4.466 12.812 2.688 1.00 0.00 H new ATOM 0 HE ARG A 91 2.378 10.595 2.713 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.574 13.516 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 91 1.179 13.979 4.015 1.00 0.00 H new ATOM 0 HH21 ARG A 91 2.823 11.239 5.437 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.880 12.701 5.744 1.00 0.00 H new ATOM 1379 N ALA A 92 6.800 10.292 -2.432 1.00 0.00 N ATOM 1380 CA ALA A 92 6.912 10.349 -3.927 1.00 0.00 C ATOM 1381 C ALA A 92 6.617 8.968 -4.523 1.00 0.00 C ATOM 1382 O ALA A 92 5.886 8.850 -5.494 1.00 0.00 O ATOM 1383 CB ALA A 92 8.329 10.777 -4.314 1.00 0.00 C ATOM 0 H ALA A 92 7.685 10.386 -1.934 1.00 0.00 H new ATOM 0 HA ALA A 92 6.192 11.069 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.413 10.819 -5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.539 11.761 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 92 9.047 10.056 -3.923 1.00 0.00 H new ATOM 1389 N PHE A 93 7.194 7.936 -3.948 1.00 0.00 N ATOM 1390 CA PHE A 93 6.980 6.534 -4.446 1.00 0.00 C ATOM 1391 C PHE A 93 5.620 5.994 -3.963 1.00 0.00 C ATOM 1392 O PHE A 93 5.064 5.092 -4.568 1.00 0.00 O ATOM 1393 CB PHE A 93 8.108 5.642 -3.907 1.00 0.00 C ATOM 1394 CG PHE A 93 7.853 4.191 -4.266 1.00 0.00 C ATOM 1395 CD1 PHE A 93 7.063 3.392 -3.428 1.00 0.00 C ATOM 1396 CD2 PHE A 93 8.399 3.653 -5.435 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.822 2.054 -3.761 1.00 0.00 C ATOM 1398 CE2 PHE A 93 8.158 2.315 -5.769 1.00 0.00 C ATOM 1399 CZ PHE A 93 7.370 1.515 -4.932 1.00 0.00 C ATOM 0 H PHE A 93 7.814 8.007 -3.141 1.00 0.00 H new ATOM 0 HA PHE A 93 6.986 6.532 -5.536 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.064 5.963 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.178 5.748 -2.824 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.640 3.809 -2.526 1.00 0.00 H new ATOM 0 HD2 PHE A 93 9.007 4.270 -6.081 1.00 0.00 H new ATOM 0 HE1 PHE A 93 6.214 1.438 -3.115 1.00 0.00 H new ATOM 0 HE2 PHE A 93 8.580 1.900 -6.672 1.00 0.00 H new ATOM 0 HZ PHE A 93 7.185 0.483 -5.189 1.00 0.00 H new ATOM 1409 N ALA A 94 5.119 6.508 -2.859 1.00 0.00 N ATOM 1410 CA ALA A 94 3.825 6.021 -2.269 1.00 0.00 C ATOM 1411 C ALA A 94 2.736 5.791 -3.341 1.00 0.00 C ATOM 1412 O ALA A 94 2.150 4.722 -3.365 1.00 0.00 O ATOM 1413 CB ALA A 94 3.325 7.041 -1.240 1.00 0.00 C ATOM 0 H ALA A 94 5.563 7.260 -2.332 1.00 0.00 H new ATOM 0 HA ALA A 94 4.020 5.059 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.386 6.693 -0.809 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.067 7.155 -0.450 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.165 8.002 -1.728 1.00 0.00 H new ATOM 1419 N PRO A 95 2.480 6.781 -4.192 1.00 0.00 N ATOM 1420 CA PRO A 95 1.449 6.655 -5.241 1.00 0.00 C ATOM 1421 C PRO A 95 1.932 5.721 -6.351 1.00 0.00 C ATOM 1422 O PRO A 95 2.958 5.072 -6.219 1.00 0.00 O ATOM 1423 CB PRO A 95 1.246 8.085 -5.741 1.00 0.00 C ATOM 1424 CG PRO A 95 2.521 8.867 -5.359 1.00 0.00 C ATOM 1425 CD PRO A 95 3.180 8.091 -4.202 1.00 0.00 C ATOM 0 HA PRO A 95 0.517 6.221 -4.879 1.00 0.00 H new ATOM 0 HB2 PRO A 95 1.090 8.100 -6.820 1.00 0.00 H new ATOM 0 HB3 PRO A 95 0.364 8.534 -5.285 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.198 8.944 -6.210 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.275 9.884 -5.054 1.00 0.00 H new ATOM 0 HD2 PRO A 95 4.251 7.968 -4.364 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.059 8.614 -3.253 1.00 0.00 H new ATOM 1433 N LYS A 96 1.183 5.631 -7.430 1.00 0.00 N ATOM 1434 CA LYS A 96 1.558 4.717 -8.560 1.00 0.00 C ATOM 1435 C LYS A 96 1.508 3.258 -8.075 1.00 0.00 C ATOM 1436 O LYS A 96 2.064 2.375 -8.707 1.00 0.00 O ATOM 1437 CB LYS A 96 2.974 5.048 -9.055 1.00 0.00 C ATOM 1438 CG LYS A 96 3.098 6.558 -9.288 1.00 0.00 C ATOM 1439 CD LYS A 96 4.000 6.822 -10.497 1.00 0.00 C ATOM 1440 CE LYS A 96 3.460 8.019 -11.282 1.00 0.00 C ATOM 1441 NZ LYS A 96 4.210 8.154 -12.563 1.00 0.00 N ATOM 0 H LYS A 96 0.321 6.157 -7.576 1.00 0.00 H new ATOM 0 HA LYS A 96 0.854 4.854 -9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.712 4.721 -8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 96 3.182 4.509 -9.979 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.112 6.992 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.511 7.040 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.020 7.019 -10.167 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.037 5.940 -11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.397 7.886 -11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.561 8.930 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.843 8.968 -13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 5.220 8.300 -12.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 4.092 7.288 -13.127 1.00 0.00 H new ATOM 1455 N LEU A 97 0.846 3.007 -6.957 1.00 0.00 N ATOM 1456 CA LEU A 97 0.745 1.613 -6.406 1.00 0.00 C ATOM 1457 C LEU A 97 -0.238 0.794 -7.256 1.00 0.00 C ATOM 1458 O LEU A 97 0.172 -0.028 -8.054 1.00 0.00 O ATOM 1459 CB LEU A 97 0.249 1.676 -4.952 1.00 0.00 C ATOM 1460 CG LEU A 97 1.289 1.040 -4.020 1.00 0.00 C ATOM 1461 CD1 LEU A 97 1.387 1.848 -2.716 1.00 0.00 C ATOM 1462 CD2 LEU A 97 0.875 -0.403 -3.706 1.00 0.00 C ATOM 0 H LEU A 97 0.369 3.718 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 97 1.725 1.136 -6.434 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.073 2.712 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.703 1.153 -4.860 1.00 0.00 H new ATOM 0 HG LEU A 97 2.262 1.041 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.127 1.391 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.687 2.871 -2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.417 1.856 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.612 -0.857 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.100 -0.404 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.818 -0.975 -4.632 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.532 1.018 -7.094 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.558 0.258 -7.892 1.00 0.00 C ATOM 1476 C VAL A 98 -2.471 0.555 -9.392 1.00 0.00 C ATOM 1477 O VAL A 98 -3.263 0.039 -10.160 1.00 0.00 O ATOM 1478 CB VAL A 98 -3.958 0.633 -7.435 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -4.232 0.011 -6.083 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.093 2.157 -7.342 1.00 0.00 C ATOM 0 H VAL A 98 -1.919 1.698 -6.440 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.353 -0.800 -7.726 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.681 0.260 -8.160 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.236 0.280 -5.755 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.154 -1.074 -6.159 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.504 0.378 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.100 2.414 -7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.368 2.543 -6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.907 2.599 -8.321 1.00 0.00 H new ATOM 1490 N THR A 99 -1.549 1.376 -9.816 1.00 0.00 N ATOM 1491 CA THR A 99 -1.417 1.682 -11.274 1.00 0.00 C ATOM 1492 C THR A 99 -0.495 0.632 -11.902 1.00 0.00 C ATOM 1493 O THR A 99 0.062 -0.195 -11.197 1.00 0.00 O ATOM 1494 CB THR A 99 -0.820 3.092 -11.467 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.562 3.091 -11.129 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.546 4.082 -10.567 1.00 0.00 C ATOM 0 H THR A 99 -0.877 1.852 -9.214 1.00 0.00 H new ATOM 0 HA THR A 99 -2.396 1.656 -11.752 1.00 0.00 H new ATOM 0 HB THR A 99 -0.938 3.381 -12.511 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.967 3.940 -11.405 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.123 5.077 -10.705 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.605 4.099 -10.825 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.431 3.780 -9.526 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.326 0.646 -13.212 1.00 0.00 N ATOM 1505 CA GLU A 100 0.570 -0.359 -13.864 1.00 0.00 C ATOM 1506 C GLU A 100 2.035 -0.244 -13.358 1.00 0.00 C ATOM 1507 O GLU A 100 2.877 -1.001 -13.816 1.00 0.00 O ATOM 1508 CB GLU A 100 0.543 -0.141 -15.379 1.00 0.00 C ATOM 1509 CG GLU A 100 -0.898 -0.270 -15.898 1.00 0.00 C ATOM 1510 CD GLU A 100 -1.036 -1.545 -16.735 1.00 0.00 C ATOM 1511 OE1 GLU A 100 -1.076 -2.614 -16.148 1.00 0.00 O ATOM 1512 OE2 GLU A 100 -1.098 -1.428 -17.950 1.00 0.00 O ATOM 0 H GLU A 100 -0.770 1.308 -13.848 1.00 0.00 H new ATOM 0 HA GLU A 100 0.205 -1.354 -13.608 1.00 0.00 H new ATOM 0 HB2 GLU A 100 0.939 0.845 -15.621 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.184 -0.872 -15.872 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.595 -0.297 -15.060 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.157 0.601 -16.500 1.00 0.00 H new ATOM 1519 N VAL A 101 2.368 0.681 -12.442 1.00 0.00 N ATOM 1520 CA VAL A 101 3.782 0.795 -11.969 1.00 0.00 C ATOM 1521 C VAL A 101 4.029 -0.091 -10.738 1.00 0.00 C ATOM 1522 O VAL A 101 5.157 -0.172 -10.277 1.00 0.00 O ATOM 1523 CB VAL A 101 4.092 2.258 -11.620 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.590 2.407 -11.337 1.00 0.00 C ATOM 1525 CG2 VAL A 101 3.705 3.158 -12.798 1.00 0.00 C ATOM 0 H VAL A 101 1.716 1.342 -12.021 1.00 0.00 H new ATOM 0 HA VAL A 101 4.439 0.457 -12.771 1.00 0.00 H new ATOM 0 HB VAL A 101 3.523 2.550 -10.737 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.812 3.445 -11.089 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.868 1.767 -10.500 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.158 2.116 -12.221 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.925 4.196 -12.550 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.275 2.867 -13.681 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.640 3.052 -13.002 1.00 0.00 H new ATOM 1535 N GLU A 102 3.010 -0.760 -10.198 1.00 0.00 N ATOM 1536 CA GLU A 102 3.262 -1.636 -8.994 1.00 0.00 C ATOM 1537 C GLU A 102 2.474 -2.962 -9.047 1.00 0.00 C ATOM 1538 O GLU A 102 3.039 -3.975 -9.426 1.00 0.00 O ATOM 1539 CB GLU A 102 2.957 -0.874 -7.695 1.00 0.00 C ATOM 1540 CG GLU A 102 3.950 -1.311 -6.608 1.00 0.00 C ATOM 1541 CD GLU A 102 4.368 -0.102 -5.769 1.00 0.00 C ATOM 1542 OE1 GLU A 102 4.896 0.836 -6.340 1.00 0.00 O ATOM 1543 OE2 GLU A 102 4.159 -0.140 -4.567 1.00 0.00 O ATOM 0 H GLU A 102 2.046 -0.735 -10.532 1.00 0.00 H new ATOM 0 HA GLU A 102 4.320 -1.898 -9.011 1.00 0.00 H new ATOM 0 HB2 GLU A 102 3.033 0.200 -7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 102 1.935 -1.075 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.494 -2.068 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.827 -1.767 -7.067 1.00 0.00 H new ATOM 1550 N CYS A 103 1.203 -2.992 -8.646 1.00 0.00 N ATOM 1551 CA CYS A 103 0.438 -4.287 -8.656 1.00 0.00 C ATOM 1552 C CYS A 103 -1.045 -4.001 -8.991 1.00 0.00 C ATOM 1553 O CYS A 103 -1.946 -4.539 -8.365 1.00 0.00 O ATOM 1554 CB CYS A 103 0.561 -4.927 -7.262 1.00 0.00 C ATOM 1555 SG CYS A 103 2.267 -5.484 -6.990 1.00 0.00 S ATOM 0 H CYS A 103 0.678 -2.181 -8.318 1.00 0.00 H new ATOM 0 HA CYS A 103 0.838 -4.967 -9.408 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.277 -4.207 -6.495 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -0.125 -5.770 -7.177 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.293 -3.122 -9.957 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.693 -2.732 -10.346 1.00 0.00 C ATOM 1562 C ASN A 104 -3.691 -3.905 -10.311 1.00 0.00 C ATOM 1563 O ASN A 104 -4.656 -3.851 -9.566 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.682 -2.092 -11.745 1.00 0.00 C ATOM 1565 CG ASN A 104 -1.923 -2.971 -12.745 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -0.805 -3.375 -12.497 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -2.491 -3.287 -13.877 1.00 0.00 N ATOM 0 H ASN A 104 -0.565 -2.655 -10.497 1.00 0.00 H new ATOM 0 HA ASN A 104 -3.037 -2.015 -9.601 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -3.706 -1.944 -12.089 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.217 -1.107 -11.695 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -1.996 -3.872 -14.550 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.430 -2.949 -14.088 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.482 -4.950 -11.095 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.437 -6.120 -11.101 1.00 0.00 C ATOM 1576 C LEU A 105 -5.918 -5.644 -11.164 1.00 0.00 C ATOM 1577 O LEU A 105 -6.814 -6.354 -10.734 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.220 -6.936 -9.822 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.897 -7.699 -9.913 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -2.594 -8.359 -8.567 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -3.003 -8.776 -10.996 1.00 0.00 C ATOM 0 H LEU A 105 -2.690 -5.042 -11.731 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.241 -6.727 -11.985 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.211 -6.275 -8.955 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.045 -7.635 -9.681 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.095 -7.006 -10.166 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.651 -8.902 -8.632 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -2.519 -7.593 -7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.396 -9.052 -8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -2.061 -9.320 -11.062 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.805 -9.469 -10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.218 -8.307 -11.956 1.00 0.00 H new ATOM 1593 N ALA A 106 -6.175 -4.454 -11.697 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.580 -3.923 -11.791 1.00 0.00 C ATOM 1595 C ALA A 106 -8.149 -3.717 -10.383 1.00 0.00 C ATOM 1596 O ALA A 106 -7.893 -4.500 -9.485 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.456 -4.910 -12.566 1.00 0.00 C ATOM 0 H ALA A 106 -5.461 -3.829 -12.071 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.569 -2.968 -12.316 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.472 -4.521 -12.631 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -8.053 -5.043 -13.570 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.467 -5.870 -12.049 1.00 0.00 H new ATOM 1603 N THR A 107 -8.907 -2.653 -10.194 1.00 0.00 N ATOM 1604 CA THR A 107 -9.497 -2.341 -8.844 1.00 0.00 C ATOM 1605 C THR A 107 -11.028 -2.505 -8.919 1.00 0.00 C ATOM 1606 O THR A 107 -11.539 -3.119 -9.840 1.00 0.00 O ATOM 1607 CB THR A 107 -9.130 -0.882 -8.447 1.00 0.00 C ATOM 1608 OG1 THR A 107 -10.014 0.046 -9.069 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.710 -0.561 -8.904 1.00 0.00 C ATOM 0 H THR A 107 -9.143 -1.982 -10.925 1.00 0.00 H new ATOM 0 HA THR A 107 -9.098 -3.022 -8.092 1.00 0.00 H new ATOM 0 HB THR A 107 -9.211 -0.799 -7.363 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.555 0.903 -9.192 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.460 0.462 -8.623 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.011 -1.249 -8.429 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.644 -0.666 -9.987 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.753 -1.934 -7.971 1.00 0.00 N ATOM 1618 CA ILE A 108 -13.252 -2.011 -7.988 1.00 0.00 C ATOM 1619 C ILE A 108 -13.756 -1.226 -9.208 1.00 0.00 C ATOM 1620 O ILE A 108 -14.767 -1.556 -9.803 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.816 -1.387 -6.696 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -15.352 -1.452 -6.706 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.370 0.079 -6.583 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.826 -2.628 -5.850 1.00 0.00 C ATOM 0 H ILE A 108 -11.362 -1.416 -7.184 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.579 -3.049 -8.047 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.436 -1.948 -5.842 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.767 -0.520 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.714 -1.565 -7.728 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.773 0.512 -5.668 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.281 0.127 -6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.739 0.639 -7.442 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.915 -2.670 -5.860 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.423 -3.557 -6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -15.478 -2.496 -4.826 1.00 0.00 H new ATOM 1636 N HIS A 109 -13.042 -0.178 -9.554 1.00 0.00 N ATOM 1637 CA HIS A 109 -13.411 0.695 -10.708 1.00 0.00 C ATOM 1638 C HIS A 109 -13.210 -0.014 -12.062 1.00 0.00 C ATOM 1639 O HIS A 109 -13.486 0.570 -13.097 1.00 0.00 O ATOM 1640 CB HIS A 109 -12.523 1.937 -10.648 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.899 2.751 -9.444 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -13.962 3.638 -9.456 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -12.368 2.816 -8.180 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -14.036 4.194 -8.235 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -13.088 3.729 -7.418 1.00 0.00 N ATOM 0 H HIS A 109 -12.194 0.113 -9.067 1.00 0.00 H new ATOM 0 HA HIS A 109 -14.468 0.950 -10.635 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -11.474 1.647 -10.593 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -12.643 2.529 -11.555 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -11.520 2.245 -7.831 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -14.774 4.929 -7.949 1.00 0.00 H new ATOM 0 HE2 HIS A 109 -12.927 3.988 -6.445 1.00 0.00 H new ATOM 1653 N GLY A 110 -12.731 -1.251 -12.074 1.00 0.00 N ATOM 1654 CA GLY A 110 -12.513 -1.978 -13.367 1.00 0.00 C ATOM 1655 C GLY A 110 -11.559 -1.168 -14.248 1.00 0.00 C ATOM 1656 O GLY A 110 -11.646 -1.208 -15.465 1.00 0.00 O ATOM 0 H GLY A 110 -12.484 -1.781 -11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -12.098 -2.968 -13.176 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -13.464 -2.125 -13.880 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.659 -0.429 -13.631 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.686 0.405 -14.400 1.00 0.00 C ATOM 1662 C GLY A 111 -8.444 0.692 -13.534 1.00 0.00 C ATOM 1663 O GLY A 111 -8.455 0.407 -12.350 1.00 0.00 O ATOM 0 H GLY A 111 -10.561 -0.372 -12.617 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.392 -0.112 -15.313 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.155 1.342 -14.701 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.402 1.240 -14.150 1.00 0.00 N ATOM 1668 CA PRO A 112 -6.138 1.567 -13.449 1.00 0.00 C ATOM 1669 C PRO A 112 -6.249 2.870 -12.626 1.00 0.00 C ATOM 1670 O PRO A 112 -5.679 3.890 -12.985 1.00 0.00 O ATOM 1671 CB PRO A 112 -5.122 1.711 -14.593 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.931 2.004 -15.877 1.00 0.00 C ATOM 1673 CD PRO A 112 -7.381 1.576 -15.598 1.00 0.00 C ATOM 0 HA PRO A 112 -5.858 0.806 -12.721 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.420 2.518 -14.386 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.535 0.799 -14.706 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.883 3.063 -16.131 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.522 1.454 -16.725 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.082 2.378 -15.829 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.665 0.719 -16.208 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.946 2.819 -11.504 1.00 0.00 N ATOM 1682 CA PHE A 113 -7.075 4.024 -10.608 1.00 0.00 C ATOM 1683 C PHE A 113 -8.052 3.736 -9.458 1.00 0.00 C ATOM 1684 O PHE A 113 -8.857 2.823 -9.535 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.569 5.256 -11.390 1.00 0.00 C ATOM 1686 CG PHE A 113 -8.924 5.002 -12.019 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -10.096 5.223 -11.281 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -9.007 4.580 -13.351 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -11.348 5.015 -11.875 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -10.259 4.378 -13.946 1.00 0.00 C ATOM 1691 CZ PHE A 113 -11.429 4.594 -13.209 1.00 0.00 C ATOM 0 H PHE A 113 -7.434 1.988 -11.170 1.00 0.00 H new ATOM 0 HA PHE A 113 -6.084 4.237 -10.206 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.632 6.113 -10.720 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -6.847 5.510 -12.166 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -10.034 5.554 -10.255 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.105 4.410 -13.920 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -12.250 5.179 -11.305 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -10.321 4.055 -14.975 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.394 4.436 -13.668 1.00 0.00 H new