USER MOD reduce.3.24.130724 H: found=0, std=0, add=772, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 773 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 54 LYS NZ :NH3+ -117:sc= -0.154 (180deg=-0.658) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.171 X(o=-0.32,f=-0.07) USER MOD Single : A 13 CYS SG : rot 180:sc= -1.03 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -5.48! C(o=-5.5!,f=-6.4!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.0741 K(o=-0.074,f=-0.92) USER MOD Single : A 47 ASN : amide:sc= -0.695 K(o=-0.69,f=-6!) USER MOD Single : A 53 LYS NZ :NH3+ 155:sc= -3.64 (180deg=-7!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0611 K(o=-0.061,f=-0.62) USER MOD Single : A 69 SER OG : rot 180:sc= -0.303 USER MOD Single : A 79 ASN : amide:sc= -0.915 K(o=-0.92,f=-3!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -5.18! C(o=-5.2!,f=-7.6!) USER MOD Single : A 98 SER OG : rot 38:sc= 0.00196 USER MOD Single : A 103 SER OG : rot -160:sc= -0.57 USER MOD Single : A 104 THR OG1 : rot -55:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 10.819 12.008 -17.162 1.00 0.00 N ATOM 84 CA ALA A 9 11.460 11.258 -16.090 1.00 0.00 C ATOM 85 C ALA A 9 11.518 9.770 -16.419 1.00 0.00 C ATOM 86 O ALA A 9 10.773 9.283 -17.268 1.00 0.00 O ATOM 87 CB ALA A 9 10.725 11.482 -14.777 1.00 0.00 C ATOM 0 HA ALA A 9 12.483 11.621 -15.988 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.215 10.916 -13.985 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.741 12.543 -14.528 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.692 11.148 -14.877 1.00 0.00 H new ATOM 93 N ALA A 10 12.409 9.054 -15.742 1.00 0.00 N ATOM 94 CA ALA A 10 12.564 7.621 -15.962 1.00 0.00 C ATOM 95 C ALA A 10 11.796 6.819 -14.916 1.00 0.00 C ATOM 96 O ALA A 10 11.375 7.342 -13.884 1.00 0.00 O ATOM 97 CB ALA A 10 14.037 7.240 -15.946 1.00 0.00 C ATOM 0 H ALA A 10 13.035 9.443 -15.036 1.00 0.00 H new ATOM 0 HA ALA A 10 12.150 7.382 -16.941 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.137 6.167 -16.111 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.561 7.779 -16.735 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.470 7.500 -14.980 1.00 0.00 H new ATOM 103 N PRO A 11 11.609 5.519 -15.186 1.00 0.00 N ATOM 104 CA PRO A 11 10.892 4.617 -14.280 1.00 0.00 C ATOM 105 C PRO A 11 11.672 4.340 -13.000 1.00 0.00 C ATOM 106 O PRO A 11 12.846 3.967 -13.044 1.00 0.00 O ATOM 107 CB PRO A 11 10.739 3.335 -15.102 1.00 0.00 C ATOM 108 CG PRO A 11 11.864 3.375 -16.078 1.00 0.00 C ATOM 109 CD PRO A 11 12.085 4.828 -16.397 1.00 0.00 C ATOM 0 HA PRO A 11 9.945 5.042 -13.948 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.795 2.450 -14.469 1.00 0.00 H new ATOM 0 HB3 PRO A 11 9.775 3.303 -15.610 1.00 0.00 H new ATOM 0 HG2 PRO A 11 12.763 2.927 -15.655 1.00 0.00 H new ATOM 0 HG3 PRO A 11 11.620 2.811 -16.978 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.136 5.041 -16.594 1.00 0.00 H new ATOM 0 HD3 PRO A 11 11.526 5.135 -17.281 1.00 0.00 H new ATOM 117 N LEU A 12 11.015 4.523 -11.860 1.00 0.00 N ATOM 118 CA LEU A 12 11.648 4.292 -10.566 1.00 0.00 C ATOM 119 C LEU A 12 11.250 2.932 -10.001 1.00 0.00 C ATOM 120 O LEU A 12 10.188 2.400 -10.325 1.00 0.00 O ATOM 121 CB LEU A 12 11.262 5.398 -9.583 1.00 0.00 C ATOM 122 CG LEU A 12 9.994 5.156 -8.763 1.00 0.00 C ATOM 123 CD1 LEU A 12 10.299 4.289 -7.552 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.376 6.478 -8.333 1.00 0.00 C ATOM 0 H LEU A 12 10.044 4.831 -11.805 1.00 0.00 H new ATOM 0 HA LEU A 12 12.728 4.303 -10.710 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.093 5.550 -8.894 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.138 6.326 -10.142 1.00 0.00 H new ATOM 0 HG LEU A 12 9.275 4.629 -9.390 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.385 4.128 -6.981 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.695 3.329 -7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 12 11.036 4.788 -6.923 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.475 6.286 -7.751 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.090 7.033 -7.724 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.120 7.064 -9.216 1.00 0.00 H new ATOM 136 N CYS A 13 12.109 2.375 -9.153 1.00 0.00 N ATOM 137 CA CYS A 13 11.846 1.078 -8.541 1.00 0.00 C ATOM 138 C CYS A 13 11.814 1.190 -7.021 1.00 0.00 C ATOM 139 O CYS A 13 12.558 1.973 -6.430 1.00 0.00 O ATOM 140 CB CYS A 13 12.910 0.065 -8.968 1.00 0.00 C ATOM 141 SG CYS A 13 12.649 -0.631 -10.616 1.00 0.00 S ATOM 0 H CYS A 13 12.993 2.802 -8.874 1.00 0.00 H new ATOM 0 HA CYS A 13 10.869 0.734 -8.882 1.00 0.00 H new ATOM 0 HB2 CYS A 13 13.887 0.547 -8.940 1.00 0.00 H new ATOM 0 HB3 CYS A 13 12.934 -0.748 -8.242 1.00 0.00 H new ATOM 0 HG CYS A 13 13.601 -1.474 -10.887 1.00 0.00 H new ATOM 147 N VAL A 14 10.946 0.404 -6.392 1.00 0.00 N ATOM 148 CA VAL A 14 10.815 0.416 -4.940 1.00 0.00 C ATOM 149 C VAL A 14 10.652 -0.997 -4.392 1.00 0.00 C ATOM 150 O VAL A 14 9.935 -1.819 -4.963 1.00 0.00 O ATOM 151 CB VAL A 14 9.615 1.270 -4.491 1.00 0.00 C ATOM 152 CG1 VAL A 14 9.732 2.685 -5.039 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.309 0.626 -4.930 1.00 0.00 C ATOM 0 H VAL A 14 10.323 -0.250 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 14 11.731 0.854 -4.543 1.00 0.00 H new ATOM 0 HB VAL A 14 9.618 1.326 -3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.875 3.274 -4.712 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.650 3.143 -4.670 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.755 2.653 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.472 1.243 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.294 0.538 -6.016 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.224 -0.365 -4.484 1.00 0.00 H new ATOM 163 N LYS A 15 11.323 -1.275 -3.279 1.00 0.00 N ATOM 164 CA LYS A 15 11.252 -2.589 -2.650 1.00 0.00 C ATOM 165 C LYS A 15 10.084 -2.662 -1.672 1.00 0.00 C ATOM 166 O LYS A 15 10.111 -2.039 -0.611 1.00 0.00 O ATOM 167 CB LYS A 15 12.562 -2.899 -1.922 1.00 0.00 C ATOM 168 CG LYS A 15 13.610 -3.553 -2.806 1.00 0.00 C ATOM 169 CD LYS A 15 14.981 -3.534 -2.152 1.00 0.00 C ATOM 170 CE LYS A 15 15.699 -2.216 -2.400 1.00 0.00 C ATOM 171 NZ LYS A 15 16.787 -1.983 -1.411 1.00 0.00 N ATOM 0 H LYS A 15 11.922 -0.607 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 15 11.094 -3.331 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.969 -1.974 -1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.352 -3.554 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.320 -4.583 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.655 -3.034 -3.763 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.876 -3.696 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.582 -4.356 -2.541 1.00 0.00 H new ATOM 0 HE2 LYS A 15 16.117 -2.214 -3.407 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.982 -1.397 -2.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.252 -1.075 -1.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.385 -1.960 -0.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.485 -2.751 -1.475 1.00 0.00 H new ATOM 185 N VAL A 16 9.060 -3.427 -2.036 1.00 0.00 N ATOM 186 CA VAL A 16 7.884 -3.584 -1.189 1.00 0.00 C ATOM 187 C VAL A 16 7.948 -4.882 -0.393 1.00 0.00 C ATOM 188 O VAL A 16 8.523 -5.871 -0.847 1.00 0.00 O ATOM 189 CB VAL A 16 6.587 -3.568 -2.021 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.378 -3.803 -1.130 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.456 -2.255 -2.778 1.00 0.00 C ATOM 0 H VAL A 16 9.021 -3.948 -2.912 1.00 0.00 H new ATOM 0 HA VAL A 16 7.876 -2.739 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 16 6.633 -4.377 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.472 -3.788 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.471 -4.772 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.324 -3.018 -0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.535 -2.261 -3.360 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.432 -1.427 -2.069 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.308 -2.135 -3.448 1.00 0.00 H new ATOM 201 N GLU A 17 7.354 -4.871 0.796 1.00 0.00 N ATOM 202 CA GLU A 17 7.345 -6.049 1.655 1.00 0.00 C ATOM 203 C GLU A 17 6.072 -6.098 2.497 1.00 0.00 C ATOM 204 O GLU A 17 5.760 -5.156 3.225 1.00 0.00 O ATOM 205 CB GLU A 17 8.573 -6.051 2.568 1.00 0.00 C ATOM 206 CG GLU A 17 8.868 -7.407 3.188 1.00 0.00 C ATOM 207 CD GLU A 17 9.929 -7.336 4.269 1.00 0.00 C ATOM 208 OE1 GLU A 17 9.719 -6.603 5.258 1.00 0.00 O ATOM 209 OE2 GLU A 17 10.969 -8.012 4.125 1.00 0.00 O ATOM 0 H GLU A 17 6.873 -4.060 1.186 1.00 0.00 H new ATOM 0 HA GLU A 17 7.373 -6.933 1.017 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.442 -5.726 1.995 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.425 -5.321 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.951 -7.816 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.194 -8.095 2.408 1.00 0.00 H new ATOM 216 N PHE A 18 5.342 -7.203 2.390 1.00 0.00 N ATOM 217 CA PHE A 18 4.103 -7.376 3.140 1.00 0.00 C ATOM 218 C PHE A 18 4.283 -8.396 4.261 1.00 0.00 C ATOM 219 O PHE A 18 4.915 -9.435 4.074 1.00 0.00 O ATOM 220 CB PHE A 18 2.976 -7.821 2.206 1.00 0.00 C ATOM 221 CG PHE A 18 2.665 -6.826 1.125 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.404 -6.803 -0.047 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.633 -5.914 1.280 1.00 0.00 C ATOM 224 CE1 PHE A 18 3.120 -5.888 -1.044 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.345 -4.998 0.286 1.00 0.00 C ATOM 226 CZ PHE A 18 2.090 -4.984 -0.877 1.00 0.00 C ATOM 0 H PHE A 18 5.587 -7.992 1.792 1.00 0.00 H new ATOM 0 HA PHE A 18 3.840 -6.417 3.585 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.249 -8.771 1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.076 -7.999 2.795 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.211 -7.508 -0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.047 -5.919 2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.704 -5.881 -1.953 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.537 -4.293 0.419 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.867 -4.268 -1.654 1.00 0.00 H new ATOM 236 N GLY A 19 3.722 -8.090 5.427 1.00 0.00 N ATOM 237 CA GLY A 19 3.832 -8.988 6.561 1.00 0.00 C ATOM 238 C GLY A 19 2.509 -9.187 7.273 1.00 0.00 C ATOM 239 O GLY A 19 1.876 -8.224 7.703 1.00 0.00 O ATOM 0 H GLY A 19 3.193 -7.236 5.606 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.207 -9.953 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.564 -8.592 7.265 1.00 0.00 H new ATOM 243 N GLY A 20 2.088 -10.442 7.398 1.00 0.00 N ATOM 244 CA GLY A 20 0.833 -10.742 8.062 1.00 0.00 C ATOM 245 C GLY A 20 -0.154 -11.441 7.148 1.00 0.00 C ATOM 246 O GLY A 20 -1.358 -11.197 7.220 1.00 0.00 O ATOM 0 H GLY A 20 2.594 -11.257 7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.027 -11.371 8.931 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.390 -9.817 8.430 1.00 0.00 H new ATOM 250 N GLY A 21 0.357 -12.314 6.284 1.00 0.00 N ATOM 251 CA GLY A 21 -0.502 -13.036 5.364 1.00 0.00 C ATOM 252 C GLY A 21 -0.788 -12.249 4.100 1.00 0.00 C ATOM 253 O GLY A 21 -0.924 -12.825 3.020 1.00 0.00 O ATOM 0 H GLY A 21 1.350 -12.534 6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.032 -13.983 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.443 -13.274 5.861 1.00 0.00 H new ATOM 257 N ALA A 22 -0.880 -10.930 4.233 1.00 0.00 N ATOM 258 CA ALA A 22 -1.151 -10.064 3.093 1.00 0.00 C ATOM 259 C ALA A 22 -0.359 -10.506 1.867 1.00 0.00 C ATOM 260 O ALA A 22 -0.816 -10.356 0.735 1.00 0.00 O ATOM 261 CB ALA A 22 -0.829 -8.618 3.440 1.00 0.00 C ATOM 0 H ALA A 22 -0.771 -10.438 5.120 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.212 -10.141 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.036 -7.982 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.444 -8.300 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.224 -8.534 3.708 1.00 0.00 H new ATOM 267 N GLU A 23 0.831 -11.049 2.102 1.00 0.00 N ATOM 268 CA GLU A 23 1.688 -11.511 1.016 1.00 0.00 C ATOM 269 C GLU A 23 0.874 -12.256 -0.039 1.00 0.00 C ATOM 270 O GLU A 23 1.064 -12.057 -1.240 1.00 0.00 O ATOM 271 CB GLU A 23 2.793 -12.419 1.559 1.00 0.00 C ATOM 272 CG GLU A 23 2.270 -13.617 2.335 1.00 0.00 C ATOM 273 CD GLU A 23 3.329 -14.245 3.220 1.00 0.00 C ATOM 274 OE1 GLU A 23 4.342 -14.734 2.677 1.00 0.00 O ATOM 275 OE2 GLU A 23 3.144 -14.248 4.455 1.00 0.00 O ATOM 0 H GLU A 23 1.224 -11.180 3.034 1.00 0.00 H new ATOM 0 HA GLU A 23 2.143 -10.637 0.549 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.402 -12.773 0.727 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.447 -11.834 2.206 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.425 -13.306 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.897 -14.364 1.635 1.00 0.00 H new ATOM 282 N LEU A 24 -0.031 -13.114 0.418 1.00 0.00 N ATOM 283 CA LEU A 24 -0.874 -13.890 -0.485 1.00 0.00 C ATOM 284 C LEU A 24 -1.598 -12.979 -1.471 1.00 0.00 C ATOM 285 O LEU A 24 -1.716 -13.297 -2.656 1.00 0.00 O ATOM 286 CB LEU A 24 -1.891 -14.708 0.312 1.00 0.00 C ATOM 287 CG LEU A 24 -1.311 -15.715 1.306 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.354 -16.101 2.344 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.799 -16.949 0.578 1.00 0.00 C ATOM 0 H LEU A 24 -0.200 -13.290 1.408 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.233 -14.568 -1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.534 -14.018 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.526 -15.247 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.472 -15.247 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.924 -16.818 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.673 -15.212 2.887 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.214 -16.550 1.847 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.390 -17.655 1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.620 -17.419 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.020 -16.659 -0.126 1.00 0.00 H new ATOM 301 N LEU A 25 -2.079 -11.844 -0.977 1.00 0.00 N ATOM 302 CA LEU A 25 -2.790 -10.884 -1.815 1.00 0.00 C ATOM 303 C LEU A 25 -1.886 -10.355 -2.924 1.00 0.00 C ATOM 304 O LEU A 25 -2.350 -9.704 -3.860 1.00 0.00 O ATOM 305 CB LEU A 25 -3.309 -9.722 -0.966 1.00 0.00 C ATOM 306 CG LEU A 25 -4.497 -10.034 -0.055 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.459 -9.160 1.188 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.807 -9.843 -0.804 1.00 0.00 C ATOM 0 H LEU A 25 -1.990 -11.565 0.000 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.636 -11.396 -2.274 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.489 -9.356 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.593 -8.909 -1.634 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.429 -11.076 0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.312 -9.396 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.535 -9.346 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.503 -8.111 0.896 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.642 -10.069 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.884 -8.811 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.835 -10.512 -1.664 1.00 0.00 H new ATOM 320 N PHE A 26 -0.593 -10.641 -2.813 1.00 0.00 N ATOM 321 CA PHE A 26 0.377 -10.196 -3.807 1.00 0.00 C ATOM 322 C PHE A 26 1.312 -11.334 -4.203 1.00 0.00 C ATOM 323 O PHE A 26 2.447 -11.411 -3.732 1.00 0.00 O ATOM 324 CB PHE A 26 1.189 -9.017 -3.266 1.00 0.00 C ATOM 325 CG PHE A 26 0.340 -7.888 -2.755 1.00 0.00 C ATOM 326 CD1 PHE A 26 -0.148 -7.903 -1.458 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.029 -6.813 -3.572 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.929 -6.865 -0.985 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.751 -5.773 -3.104 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.232 -5.799 -1.810 1.00 0.00 C ATOM 0 H PHE A 26 -0.193 -11.179 -2.045 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.170 -9.875 -4.693 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.834 -9.369 -2.461 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.841 -8.642 -4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.084 -8.735 -0.810 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.400 -6.788 -4.586 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.302 -6.887 0.028 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.984 -4.940 -3.750 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.844 -4.988 -1.444 1.00 0.00 H new ATOM 340 N ASP A 27 0.828 -12.216 -5.070 1.00 0.00 N ATOM 341 CA ASP A 27 1.620 -13.350 -5.530 1.00 0.00 C ATOM 342 C ASP A 27 2.253 -14.085 -4.352 1.00 0.00 C ATOM 343 O ASP A 27 3.293 -14.726 -4.494 1.00 0.00 O ATOM 344 CB ASP A 27 2.707 -12.882 -6.499 1.00 0.00 C ATOM 345 CG ASP A 27 2.134 -12.205 -7.728 1.00 0.00 C ATOM 346 OD1 ASP A 27 1.797 -12.919 -8.696 1.00 0.00 O ATOM 347 OD2 ASP A 27 2.023 -10.961 -7.724 1.00 0.00 O ATOM 0 H ASP A 27 -0.110 -12.167 -5.469 1.00 0.00 H new ATOM 0 HA ASP A 27 0.954 -14.039 -6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.375 -12.191 -5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.309 -13.737 -6.806 1.00 0.00 H new ATOM 352 N GLY A 28 1.618 -13.984 -3.188 1.00 0.00 N ATOM 353 CA GLY A 28 2.135 -14.642 -2.003 1.00 0.00 C ATOM 354 C GLY A 28 3.649 -14.609 -1.934 1.00 0.00 C ATOM 355 O GLY A 28 4.306 -15.641 -2.068 1.00 0.00 O ATOM 0 H GLY A 28 0.756 -13.459 -3.045 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.724 -14.161 -1.116 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.796 -15.678 -1.990 1.00 0.00 H new ATOM 359 N VAL A 29 4.204 -13.419 -1.726 1.00 0.00 N ATOM 360 CA VAL A 29 5.650 -13.255 -1.641 1.00 0.00 C ATOM 361 C VAL A 29 6.026 -12.240 -0.566 1.00 0.00 C ATOM 362 O VAL A 29 5.223 -11.382 -0.200 1.00 0.00 O ATOM 363 CB VAL A 29 6.245 -12.804 -2.988 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.755 -12.653 -2.882 1.00 0.00 C ATOM 365 CG2 VAL A 29 5.874 -13.786 -4.089 1.00 0.00 C ATOM 0 H VAL A 29 3.674 -12.555 -1.613 1.00 0.00 H new ATOM 0 HA VAL A 29 6.063 -14.229 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 29 5.825 -11.831 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.157 -12.334 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.994 -11.908 -2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.198 -13.609 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.303 -13.452 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.264 -14.773 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.789 -13.837 -4.181 1.00 0.00 H new ATOM 375 N LYS A 30 7.252 -12.345 -0.065 1.00 0.00 N ATOM 376 CA LYS A 30 7.737 -11.435 0.967 1.00 0.00 C ATOM 377 C LYS A 30 8.223 -10.126 0.353 1.00 0.00 C ATOM 378 O LYS A 30 7.629 -9.069 0.568 1.00 0.00 O ATOM 379 CB LYS A 30 8.869 -12.090 1.762 1.00 0.00 C ATOM 380 CG LYS A 30 8.487 -13.425 2.377 1.00 0.00 C ATOM 381 CD LYS A 30 9.713 -14.261 2.701 1.00 0.00 C ATOM 382 CE LYS A 30 9.448 -15.216 3.855 1.00 0.00 C ATOM 383 NZ LYS A 30 8.595 -16.364 3.440 1.00 0.00 N ATOM 0 H LYS A 30 7.928 -13.051 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 30 6.909 -11.214 1.641 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.727 -12.234 1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.185 -11.412 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.910 -13.256 3.286 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.844 -13.973 1.689 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.011 -14.828 1.819 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.546 -13.605 2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 30 10.396 -15.589 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.961 -14.677 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.437 -16.992 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.681 -16.010 3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.071 -16.894 2.682 1.00 0.00 H new ATOM 397 N LYS A 31 9.307 -10.203 -0.412 1.00 0.00 N ATOM 398 CA LYS A 31 9.872 -9.025 -1.059 1.00 0.00 C ATOM 399 C LYS A 31 9.401 -8.921 -2.506 1.00 0.00 C ATOM 400 O LYS A 31 9.586 -9.846 -3.298 1.00 0.00 O ATOM 401 CB LYS A 31 11.401 -9.076 -1.011 1.00 0.00 C ATOM 402 CG LYS A 31 11.970 -8.964 0.392 1.00 0.00 C ATOM 403 CD LYS A 31 13.468 -9.215 0.408 1.00 0.00 C ATOM 404 CE LYS A 31 13.941 -9.682 1.777 1.00 0.00 C ATOM 405 NZ LYS A 31 15.381 -9.378 2.000 1.00 0.00 N ATOM 0 H LYS A 31 9.812 -11.069 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 31 9.527 -8.143 -0.519 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.739 -10.011 -1.457 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.802 -8.268 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.762 -7.971 0.792 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.473 -9.681 1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.720 -9.966 -0.341 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.994 -8.301 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.344 -9.200 2.551 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.778 -10.756 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.664 -9.712 2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.953 -9.858 1.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.533 -8.351 1.936 1.00 0.00 H new ATOM 419 N HIS A 32 8.793 -7.789 -2.846 1.00 0.00 N ATOM 420 CA HIS A 32 8.298 -7.564 -4.199 1.00 0.00 C ATOM 421 C HIS A 32 8.988 -6.361 -4.837 1.00 0.00 C ATOM 422 O HIS A 32 8.904 -5.245 -4.327 1.00 0.00 O ATOM 423 CB HIS A 32 6.784 -7.348 -4.182 1.00 0.00 C ATOM 424 CG HIS A 32 6.068 -8.208 -3.186 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.243 -9.251 -3.549 1.00 0.00 N ATOM 426 CD2 HIS A 32 6.059 -8.175 -1.833 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.756 -9.823 -2.462 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.235 -9.189 -1.407 1.00 0.00 N ATOM 0 H HIS A 32 8.631 -7.014 -2.203 1.00 0.00 H new ATOM 0 HA HIS A 32 8.525 -8.449 -4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.577 -6.301 -3.961 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.385 -7.549 -5.176 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.599 -7.481 -1.205 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.081 -10.666 -2.440 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.027 -9.415 -0.434 1.00 0.00 H new ATOM 437 N GLN A 33 9.668 -6.599 -5.954 1.00 0.00 N ATOM 438 CA GLN A 33 10.373 -5.536 -6.659 1.00 0.00 C ATOM 439 C GLN A 33 9.421 -4.756 -7.560 1.00 0.00 C ATOM 440 O GLN A 33 9.031 -5.231 -8.627 1.00 0.00 O ATOM 441 CB GLN A 33 11.518 -6.118 -7.490 1.00 0.00 C ATOM 442 CG GLN A 33 12.519 -5.075 -7.961 1.00 0.00 C ATOM 443 CD GLN A 33 13.840 -5.685 -8.386 1.00 0.00 C ATOM 444 OE1 GLN A 33 14.085 -5.899 -9.574 1.00 0.00 O ATOM 445 NE2 GLN A 33 14.702 -5.968 -7.416 1.00 0.00 N ATOM 0 H GLN A 33 9.745 -7.518 -6.390 1.00 0.00 H new ATOM 0 HA GLN A 33 10.784 -4.852 -5.916 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.040 -6.869 -6.898 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.102 -6.629 -8.358 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.094 -4.520 -8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.695 -4.358 -7.159 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.458 -5.774 -6.445 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.608 -6.379 -7.642 1.00 0.00 H new ATOM 454 N VAL A 34 9.051 -3.556 -7.124 1.00 0.00 N ATOM 455 CA VAL A 34 8.145 -2.710 -7.892 1.00 0.00 C ATOM 456 C VAL A 34 8.918 -1.740 -8.778 1.00 0.00 C ATOM 457 O VAL A 34 9.948 -1.200 -8.375 1.00 0.00 O ATOM 458 CB VAL A 34 7.208 -1.909 -6.968 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.268 -1.038 -7.787 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.424 -2.847 -6.062 1.00 0.00 C ATOM 0 H VAL A 34 9.365 -3.148 -6.243 1.00 0.00 H new ATOM 0 HA VAL A 34 7.547 -3.372 -8.518 1.00 0.00 H new ATOM 0 HB VAL A 34 7.815 -1.257 -6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.614 -0.480 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.850 -0.341 -8.390 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.665 -1.668 -8.441 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.767 -2.264 -5.416 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.826 -3.525 -6.671 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.116 -3.424 -5.449 1.00 0.00 H new ATOM 470 N ALA A 35 8.413 -1.523 -9.988 1.00 0.00 N ATOM 471 CA ALA A 35 9.055 -0.615 -10.932 1.00 0.00 C ATOM 472 C ALA A 35 8.040 0.341 -11.550 1.00 0.00 C ATOM 473 O ALA A 35 7.385 0.012 -12.540 1.00 0.00 O ATOM 474 CB ALA A 35 9.771 -1.404 -12.018 1.00 0.00 C ATOM 0 H ALA A 35 7.562 -1.963 -10.338 1.00 0.00 H new ATOM 0 HA ALA A 35 9.789 -0.021 -10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.246 -0.714 -12.716 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.530 -2.041 -11.564 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.051 -2.023 -12.553 1.00 0.00 H new ATOM 480 N LEU A 36 7.914 1.524 -10.961 1.00 0.00 N ATOM 481 CA LEU A 36 6.978 2.529 -11.454 1.00 0.00 C ATOM 482 C LEU A 36 7.530 3.226 -12.692 1.00 0.00 C ATOM 483 O LEU A 36 8.738 3.408 -12.846 1.00 0.00 O ATOM 484 CB LEU A 36 6.684 3.559 -10.362 1.00 0.00 C ATOM 485 CG LEU A 36 6.532 3.010 -8.943 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.711 4.120 -7.919 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.178 2.338 -8.773 1.00 0.00 C ATOM 0 H LEU A 36 8.448 1.812 -10.141 1.00 0.00 H new ATOM 0 HA LEU A 36 6.051 2.024 -11.728 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.487 4.296 -10.361 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.767 4.087 -10.626 1.00 0.00 H new ATOM 0 HG LEU A 36 7.309 2.263 -8.778 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.599 3.710 -6.915 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.704 4.556 -8.025 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.958 4.891 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.088 1.953 -7.757 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.386 3.064 -8.958 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.089 1.515 -9.482 1.00 0.00 H new ATOM 499 N PRO A 37 6.626 3.629 -13.598 1.00 0.00 N ATOM 500 CA PRO A 37 6.999 4.316 -14.838 1.00 0.00 C ATOM 501 C PRO A 37 7.520 5.727 -14.585 1.00 0.00 C ATOM 502 O PRO A 37 7.516 6.207 -13.452 1.00 0.00 O ATOM 503 CB PRO A 37 5.688 4.364 -15.625 1.00 0.00 C ATOM 504 CG PRO A 37 4.620 4.301 -14.588 1.00 0.00 C ATOM 505 CD PRO A 37 5.170 3.446 -13.480 1.00 0.00 C ATOM 0 HA PRO A 37 7.807 3.804 -15.360 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.614 5.278 -16.215 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.613 3.529 -16.321 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.370 5.298 -14.224 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.705 3.871 -14.995 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.803 3.766 -12.505 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.885 2.401 -13.600 1.00 0.00 H new ATOM 513 N GLY A 38 7.969 6.387 -15.648 1.00 0.00 N ATOM 514 CA GLY A 38 8.486 7.737 -15.520 1.00 0.00 C ATOM 515 C GLY A 38 7.521 8.780 -16.047 1.00 0.00 C ATOM 516 O GLY A 38 6.927 8.603 -17.110 1.00 0.00 O ATOM 0 H GLY A 38 7.984 6.011 -16.596 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.701 7.942 -14.471 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.430 7.814 -16.060 1.00 0.00 H new ATOM 520 N GLN A 39 7.365 9.870 -15.302 1.00 0.00 N ATOM 521 CA GLN A 39 6.463 10.944 -15.701 1.00 0.00 C ATOM 522 C GLN A 39 6.900 12.274 -15.095 1.00 0.00 C ATOM 523 O GLN A 39 7.753 12.312 -14.209 1.00 0.00 O ATOM 524 CB GLN A 39 5.031 10.621 -15.273 1.00 0.00 C ATOM 525 CG GLN A 39 4.937 9.970 -13.903 1.00 0.00 C ATOM 526 CD GLN A 39 3.574 10.148 -13.263 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.616 10.554 -13.921 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.481 9.844 -11.974 1.00 0.00 N ATOM 0 H GLN A 39 7.851 10.032 -14.420 1.00 0.00 H new ATOM 0 HA GLN A 39 6.499 11.031 -16.787 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.446 11.540 -15.270 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.580 9.959 -16.012 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.154 8.906 -13.995 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.699 10.396 -13.250 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.302 9.511 -11.468 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.589 9.944 -11.490 1.00 0.00 H new ATOM 537 N GLU A 40 6.310 13.362 -15.581 1.00 0.00 N ATOM 538 CA GLU A 40 6.640 14.694 -15.087 1.00 0.00 C ATOM 539 C GLU A 40 6.421 14.785 -13.580 1.00 0.00 C ATOM 540 O GLU A 40 7.201 15.415 -12.867 1.00 0.00 O ATOM 541 CB GLU A 40 5.795 15.750 -15.801 1.00 0.00 C ATOM 542 CG GLU A 40 6.363 16.179 -17.144 1.00 0.00 C ATOM 543 CD GLU A 40 5.869 15.316 -18.289 1.00 0.00 C ATOM 544 OE1 GLU A 40 4.691 14.903 -18.254 1.00 0.00 O ATOM 545 OE2 GLU A 40 6.659 15.054 -19.219 1.00 0.00 O ATOM 0 H GLU A 40 5.602 13.347 -16.315 1.00 0.00 H new ATOM 0 HA GLU A 40 7.694 14.880 -15.295 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.789 15.358 -15.950 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.704 16.626 -15.158 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.092 17.218 -17.334 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.451 16.136 -17.105 1.00 0.00 H new ATOM 552 N GLU A 41 5.354 14.152 -13.103 1.00 0.00 N ATOM 553 CA GLU A 41 5.032 14.163 -11.681 1.00 0.00 C ATOM 554 C GLU A 41 5.597 12.928 -10.985 1.00 0.00 C ATOM 555 O GLU A 41 5.522 11.809 -11.493 1.00 0.00 O ATOM 556 CB GLU A 41 3.517 14.227 -11.479 1.00 0.00 C ATOM 557 CG GLU A 41 2.885 15.500 -12.015 1.00 0.00 C ATOM 558 CD GLU A 41 1.447 15.672 -11.565 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.588 14.879 -12.004 1.00 0.00 O ATOM 560 OE2 GLU A 41 1.181 16.600 -10.772 1.00 0.00 O ATOM 0 H GLU A 41 4.698 13.625 -13.680 1.00 0.00 H new ATOM 0 HA GLU A 41 5.488 15.049 -11.239 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.057 13.369 -11.969 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.297 14.142 -10.415 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.470 16.358 -11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.922 15.489 -13.104 1.00 0.00 H new ATOM 567 N PRO A 42 6.179 13.134 -9.794 1.00 0.00 N ATOM 568 CA PRO A 42 6.768 12.050 -9.003 1.00 0.00 C ATOM 569 C PRO A 42 5.713 11.107 -8.434 1.00 0.00 C ATOM 570 O PRO A 42 4.661 11.546 -7.970 1.00 0.00 O ATOM 571 CB PRO A 42 7.490 12.789 -7.873 1.00 0.00 C ATOM 572 CG PRO A 42 6.765 14.083 -7.743 1.00 0.00 C ATOM 573 CD PRO A 42 6.305 14.441 -9.128 1.00 0.00 C ATOM 0 HA PRO A 42 7.421 11.416 -9.603 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.456 12.221 -6.943 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.542 12.947 -8.112 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.918 13.989 -7.063 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.417 14.856 -7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.356 14.976 -9.110 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.024 15.084 -9.637 1.00 0.00 H new ATOM 581 N TRP A 43 6.002 9.812 -8.474 1.00 0.00 N ATOM 582 CA TRP A 43 5.077 8.807 -7.961 1.00 0.00 C ATOM 583 C TRP A 43 4.852 8.988 -6.464 1.00 0.00 C ATOM 584 O TRP A 43 5.749 8.742 -5.658 1.00 0.00 O ATOM 585 CB TRP A 43 5.611 7.402 -8.244 1.00 0.00 C ATOM 586 CG TRP A 43 5.146 6.842 -9.554 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.740 7.007 -10.773 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.989 6.028 -9.776 1.00 0.00 C ATOM 589 NE1 TRP A 43 5.021 6.345 -11.739 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.944 5.735 -11.153 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.989 5.516 -8.945 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.936 4.956 -11.715 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.990 4.742 -9.504 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.970 4.468 -10.878 1.00 0.00 C ATOM 0 H TRP A 43 6.868 9.433 -8.856 1.00 0.00 H new ATOM 0 HA TRP A 43 4.122 8.934 -8.470 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.701 7.427 -8.234 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.300 6.734 -7.441 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.642 7.574 -10.951 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.252 6.313 -12.732 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.997 5.722 -7.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.917 4.745 -12.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.212 4.342 -8.871 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.176 3.859 -11.285 1.00 0.00 H new ATOM 605 N ASP A 44 3.649 9.417 -6.099 1.00 0.00 N ATOM 606 CA ASP A 44 3.306 9.629 -4.698 1.00 0.00 C ATOM 607 C ASP A 44 2.504 8.452 -4.151 1.00 0.00 C ATOM 608 O ASP A 44 1.813 7.758 -4.898 1.00 0.00 O ATOM 609 CB ASP A 44 2.508 10.924 -4.536 1.00 0.00 C ATOM 610 CG ASP A 44 2.875 11.963 -5.578 1.00 0.00 C ATOM 611 OD1 ASP A 44 2.558 11.749 -6.767 1.00 0.00 O ATOM 612 OD2 ASP A 44 3.477 12.991 -5.203 1.00 0.00 O ATOM 0 H ASP A 44 2.895 9.625 -6.754 1.00 0.00 H new ATOM 0 HA ASP A 44 4.233 9.709 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.443 10.703 -4.607 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.683 11.333 -3.541 1.00 0.00 H new ATOM 617 N ILE A 45 2.602 8.233 -2.844 1.00 0.00 N ATOM 618 CA ILE A 45 1.886 7.140 -2.198 1.00 0.00 C ATOM 619 C ILE A 45 0.513 6.933 -2.828 1.00 0.00 C ATOM 620 O ILE A 45 0.225 5.872 -3.380 1.00 0.00 O ATOM 621 CB ILE A 45 1.713 7.395 -0.689 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.079 7.522 -0.011 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.902 6.276 -0.052 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.849 6.221 0.045 1.00 0.00 C ATOM 0 H ILE A 45 3.170 8.798 -2.212 1.00 0.00 H new ATOM 0 HA ILE A 45 2.487 6.242 -2.340 1.00 0.00 H new ATOM 0 HB ILE A 45 1.172 8.332 -0.554 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.673 8.264 -0.545 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.939 7.896 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.788 6.471 1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.082 6.228 -0.519 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.418 5.326 -0.195 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.807 6.386 0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.275 5.482 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.021 5.856 -0.968 1.00 0.00 H new ATOM 636 N ARG A 46 -0.331 7.956 -2.742 1.00 0.00 N ATOM 637 CA ARG A 46 -1.675 7.888 -3.304 1.00 0.00 C ATOM 638 C ARG A 46 -1.670 7.137 -4.633 1.00 0.00 C ATOM 639 O ARG A 46 -2.512 6.273 -4.871 1.00 0.00 O ATOM 640 CB ARG A 46 -2.240 9.295 -3.503 1.00 0.00 C ATOM 641 CG ARG A 46 -1.401 10.164 -4.426 1.00 0.00 C ATOM 642 CD ARG A 46 -1.948 11.580 -4.508 1.00 0.00 C ATOM 643 NE ARG A 46 -3.262 11.623 -5.146 1.00 0.00 N ATOM 644 CZ ARG A 46 -4.016 12.715 -5.201 1.00 0.00 C ATOM 645 NH1 ARG A 46 -3.589 13.848 -4.661 1.00 0.00 N ATOM 646 NH2 ARG A 46 -5.200 12.676 -5.799 1.00 0.00 N ATOM 0 H ARG A 46 -0.108 8.842 -2.288 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.309 7.346 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.249 9.218 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.323 9.785 -2.533 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.372 10.191 -4.067 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.379 9.723 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.018 12.000 -3.505 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.253 12.205 -5.068 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.619 10.768 -5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.679 13.883 -4.202 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.170 14.685 -4.705 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.532 11.807 -6.217 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.778 13.515 -5.841 1.00 0.00 H new ATOM 660 N ASN A 47 -0.716 7.476 -5.494 1.00 0.00 N ATOM 661 CA ASN A 47 -0.603 6.835 -6.800 1.00 0.00 C ATOM 662 C ASN A 47 -0.067 5.413 -6.663 1.00 0.00 C ATOM 663 O ASN A 47 -0.596 4.478 -7.265 1.00 0.00 O ATOM 664 CB ASN A 47 0.313 7.652 -7.714 1.00 0.00 C ATOM 665 CG ASN A 47 0.069 9.144 -7.594 1.00 0.00 C ATOM 666 OD1 ASN A 47 0.811 9.853 -6.914 1.00 0.00 O ATOM 667 ND2 ASN A 47 -0.977 9.627 -8.255 1.00 0.00 N ATOM 0 H ASN A 47 -0.011 8.190 -5.312 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.598 6.788 -7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.353 7.436 -7.469 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.159 7.343 -8.748 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.192 10.623 -8.211 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -1.565 9.002 -8.806 1.00 0.00 H new ATOM 674 N LEU A 48 0.985 5.258 -5.867 1.00 0.00 N ATOM 675 CA LEU A 48 1.593 3.950 -5.650 1.00 0.00 C ATOM 676 C LEU A 48 0.530 2.897 -5.355 1.00 0.00 C ATOM 677 O LEU A 48 0.444 1.877 -6.040 1.00 0.00 O ATOM 678 CB LEU A 48 2.595 4.016 -4.495 1.00 0.00 C ATOM 679 CG LEU A 48 3.351 2.724 -4.187 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.577 2.597 -5.079 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.751 2.676 -2.720 1.00 0.00 C ATOM 0 H LEU A 48 1.435 6.021 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 48 2.117 3.665 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.324 4.796 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.062 4.325 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 48 2.689 1.882 -4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.103 1.671 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.267 2.585 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.241 3.444 -4.908 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.288 1.749 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.395 3.525 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.857 2.719 -2.098 1.00 0.00 H new ATOM 693 N LEU A 49 -0.280 3.151 -4.333 1.00 0.00 N ATOM 694 CA LEU A 49 -1.340 2.226 -3.948 1.00 0.00 C ATOM 695 C LEU A 49 -1.951 1.557 -5.176 1.00 0.00 C ATOM 696 O LEU A 49 -1.827 0.347 -5.362 1.00 0.00 O ATOM 697 CB LEU A 49 -2.426 2.963 -3.162 1.00 0.00 C ATOM 698 CG LEU A 49 -2.248 2.997 -1.643 1.00 0.00 C ATOM 699 CD1 LEU A 49 -2.321 1.592 -1.066 1.00 0.00 C ATOM 700 CD2 LEU A 49 -0.929 3.659 -1.275 1.00 0.00 C ATOM 0 H LEU A 49 -0.223 3.990 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.903 1.454 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.476 3.990 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.387 2.499 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.059 3.586 -1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.192 1.636 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.291 1.153 -1.299 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.532 0.979 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.820 3.674 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.105 3.097 -1.715 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.916 4.680 -1.655 1.00 0.00 H new ATOM 712 N VAL A 50 -2.609 2.354 -6.012 1.00 0.00 N ATOM 713 CA VAL A 50 -3.236 1.840 -7.224 1.00 0.00 C ATOM 714 C VAL A 50 -2.413 0.710 -7.832 1.00 0.00 C ATOM 715 O VAL A 50 -2.816 -0.452 -7.798 1.00 0.00 O ATOM 716 CB VAL A 50 -3.419 2.951 -8.275 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.325 2.476 -9.401 1.00 0.00 C ATOM 718 CG2 VAL A 50 -3.973 4.211 -7.628 1.00 0.00 C ATOM 0 H VAL A 50 -2.722 3.358 -5.872 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.215 1.457 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.444 3.189 -8.701 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.443 3.274 -10.134 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.881 1.604 -9.882 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.301 2.209 -8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.096 4.985 -8.385 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.939 3.992 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.282 4.560 -6.861 1.00 0.00 H new ATOM 728 N TRP A 51 -1.258 1.060 -8.387 1.00 0.00 N ATOM 729 CA TRP A 51 -0.377 0.074 -9.002 1.00 0.00 C ATOM 730 C TRP A 51 -0.326 -1.204 -8.173 1.00 0.00 C ATOM 731 O TRP A 51 -0.725 -2.273 -8.638 1.00 0.00 O ATOM 732 CB TRP A 51 1.032 0.648 -9.163 1.00 0.00 C ATOM 733 CG TRP A 51 1.904 -0.163 -10.072 1.00 0.00 C ATOM 734 CD1 TRP A 51 2.130 0.054 -11.401 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.666 -1.323 -9.718 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.986 -0.901 -11.895 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.330 -1.757 -10.882 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.853 -2.036 -8.531 1.00 0.00 C ATOM 739 CZ2 TRP A 51 4.164 -2.871 -10.891 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.682 -3.142 -8.542 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.330 -3.550 -9.715 1.00 0.00 C ATOM 0 H TRP A 51 -0.910 2.018 -8.424 1.00 0.00 H new ATOM 0 HA TRP A 51 -0.778 -0.169 -9.986 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.960 1.664 -9.551 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.504 0.714 -8.183 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.699 0.858 -11.979 1.00 0.00 H new ATOM 0 HE1 TRP A 51 3.312 -0.963 -12.859 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.359 -1.728 -7.621 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.663 -3.188 -11.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.833 -3.701 -7.630 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.973 -4.417 -9.690 1.00 0.00 H new ATOM 752 N ILE A 52 0.166 -1.088 -6.944 1.00 0.00 N ATOM 753 CA ILE A 52 0.266 -2.235 -6.050 1.00 0.00 C ATOM 754 C ILE A 52 -1.051 -3.000 -5.988 1.00 0.00 C ATOM 755 O ILE A 52 -1.065 -4.229 -5.904 1.00 0.00 O ATOM 756 CB ILE A 52 0.666 -1.806 -4.626 1.00 0.00 C ATOM 757 CG1 ILE A 52 1.920 -0.930 -4.667 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.895 -3.028 -3.750 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.436 -0.549 -3.297 1.00 0.00 C ATOM 0 H ILE A 52 0.502 -0.211 -6.545 1.00 0.00 H new ATOM 0 HA ILE A 52 1.042 -2.885 -6.456 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.148 -1.222 -4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.705 -1.458 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 52 1.701 -0.022 -5.229 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.177 -2.709 -2.747 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.021 -3.616 -3.699 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.694 -3.636 -4.175 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.326 0.071 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.667 0.007 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.687 -1.451 -2.739 1.00 0.00 H new ATOM 771 N LYS A 53 -2.158 -2.266 -6.031 1.00 0.00 N ATOM 772 CA LYS A 53 -3.482 -2.875 -5.982 1.00 0.00 C ATOM 773 C LYS A 53 -3.940 -3.294 -7.376 1.00 0.00 C ATOM 774 O LYS A 53 -4.910 -4.037 -7.524 1.00 0.00 O ATOM 775 CB LYS A 53 -4.492 -1.899 -5.374 1.00 0.00 C ATOM 776 CG LYS A 53 -4.168 -1.500 -3.944 1.00 0.00 C ATOM 777 CD LYS A 53 -5.159 -0.479 -3.412 1.00 0.00 C ATOM 778 CE LYS A 53 -6.546 -1.080 -3.251 1.00 0.00 C ATOM 779 NZ LYS A 53 -6.487 -2.513 -2.850 1.00 0.00 N ATOM 0 H LYS A 53 -2.164 -1.248 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.423 -3.765 -5.355 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.535 -1.002 -5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.483 -2.352 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.178 -2.385 -3.307 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.160 -1.087 -3.900 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.812 -0.100 -2.451 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.207 0.372 -4.092 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.101 -0.516 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.093 -0.988 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.363 -2.771 -2.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.383 -3.107 -3.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.674 -2.664 -2.220 1.00 0.00 H new ATOM 793 N LYS A 54 -3.235 -2.813 -8.394 1.00 0.00 N ATOM 794 CA LYS A 54 -3.566 -3.140 -9.776 1.00 0.00 C ATOM 795 C LYS A 54 -2.833 -4.398 -10.229 1.00 0.00 C ATOM 796 O LYS A 54 -3.450 -5.434 -10.473 1.00 0.00 O ATOM 797 CB LYS A 54 -3.212 -1.970 -10.697 1.00 0.00 C ATOM 798 CG LYS A 54 -4.312 -0.930 -10.810 1.00 0.00 C ATOM 799 CD LYS A 54 -4.305 -0.256 -12.172 1.00 0.00 C ATOM 800 CE LYS A 54 -3.035 0.551 -12.389 1.00 0.00 C ATOM 801 NZ LYS A 54 -1.977 -0.249 -13.066 1.00 0.00 N ATOM 0 H LYS A 54 -2.430 -2.195 -8.288 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.638 -3.327 -9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.306 -1.489 -10.328 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.986 -2.357 -11.691 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.280 -1.403 -10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.185 -0.179 -10.031 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.395 -1.011 -12.953 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.172 0.398 -12.260 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.263 1.432 -12.988 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.662 0.907 -11.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.157 -0.347 -12.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.350 -1.192 -13.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.684 0.232 -13.940 1.00 0.00 H new ATOM 815 N ASN A 55 -1.512 -4.300 -10.338 1.00 0.00 N ATOM 816 CA ASN A 55 -0.694 -5.431 -10.761 1.00 0.00 C ATOM 817 C ASN A 55 -0.262 -6.269 -9.561 1.00 0.00 C ATOM 818 O ASN A 55 -0.718 -7.400 -9.383 1.00 0.00 O ATOM 819 CB ASN A 55 0.538 -4.940 -11.523 1.00 0.00 C ATOM 820 CG ASN A 55 0.189 -3.919 -12.589 1.00 0.00 C ATOM 821 OD1 ASN A 55 -0.012 -4.265 -13.753 1.00 0.00 O ATOM 822 ND2 ASN A 55 0.117 -2.653 -12.195 1.00 0.00 N ATOM 0 H ASN A 55 -0.985 -3.449 -10.139 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.296 -6.056 -11.421 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.245 -4.500 -10.820 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.037 -5.790 -11.988 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.113 -1.922 -12.868 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.291 -2.412 -11.219 1.00 0.00 H new ATOM 829 N LEU A 56 0.618 -5.708 -8.740 1.00 0.00 N ATOM 830 CA LEU A 56 1.112 -6.402 -7.556 1.00 0.00 C ATOM 831 C LEU A 56 -0.014 -7.165 -6.864 1.00 0.00 C ATOM 832 O LEU A 56 0.195 -8.260 -6.340 1.00 0.00 O ATOM 833 CB LEU A 56 1.742 -5.405 -6.582 1.00 0.00 C ATOM 834 CG LEU A 56 2.903 -5.934 -5.738 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.151 -6.098 -6.591 1.00 0.00 C ATOM 836 CD2 LEU A 56 3.175 -5.005 -4.564 1.00 0.00 C ATOM 0 H LEU A 56 1.005 -4.773 -8.872 1.00 0.00 H new ATOM 0 HA LEU A 56 1.870 -7.118 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.095 -4.545 -7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.964 -5.044 -5.909 1.00 0.00 H new ATOM 0 HG LEU A 56 2.626 -6.912 -5.345 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.967 -6.475 -5.974 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.950 -6.803 -7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.432 -5.133 -7.014 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.004 -5.397 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.432 -4.013 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.285 -4.939 -3.939 1.00 0.00 H new ATOM 848 N LEU A 57 -1.206 -6.580 -6.866 1.00 0.00 N ATOM 849 CA LEU A 57 -2.366 -7.206 -6.241 1.00 0.00 C ATOM 850 C LEU A 57 -3.199 -7.963 -7.271 1.00 0.00 C ATOM 851 O LEU A 57 -3.453 -7.464 -8.367 1.00 0.00 O ATOM 852 CB LEU A 57 -3.229 -6.149 -5.549 1.00 0.00 C ATOM 853 CG LEU A 57 -4.399 -6.676 -4.718 1.00 0.00 C ATOM 854 CD1 LEU A 57 -3.895 -7.541 -3.573 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.240 -5.524 -4.188 1.00 0.00 C ATOM 0 H LEU A 57 -1.395 -5.673 -7.293 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.007 -7.918 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.587 -5.554 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.624 -5.476 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.027 -7.292 -5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.742 -7.907 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.338 -8.387 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.243 -6.950 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.068 -5.919 -3.599 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.622 -4.881 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.633 -4.946 -5.024 1.00 0.00 H new ATOM 867 N LYS A 58 -3.622 -9.169 -6.910 1.00 0.00 N ATOM 868 CA LYS A 58 -4.430 -9.995 -7.800 1.00 0.00 C ATOM 869 C LYS A 58 -5.718 -10.436 -7.114 1.00 0.00 C ATOM 870 O LYS A 58 -6.607 -11.004 -7.748 1.00 0.00 O ATOM 871 CB LYS A 58 -3.634 -11.222 -8.252 1.00 0.00 C ATOM 872 CG LYS A 58 -2.680 -10.939 -9.400 1.00 0.00 C ATOM 873 CD LYS A 58 -3.424 -10.751 -10.711 1.00 0.00 C ATOM 874 CE LYS A 58 -2.469 -10.451 -11.856 1.00 0.00 C ATOM 875 NZ LYS A 58 -3.039 -10.851 -13.172 1.00 0.00 N ATOM 0 H LYS A 58 -3.419 -9.597 -6.007 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.691 -9.397 -8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.066 -11.608 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.330 -12.005 -8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.099 -10.044 -9.179 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.972 -11.762 -9.497 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.995 -11.651 -10.939 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.140 -9.936 -10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.240 -9.385 -11.868 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.529 -10.977 -11.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.358 -10.630 -13.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.234 -11.872 -13.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.923 -10.330 -13.340 1.00 0.00 H new ATOM 889 N GLU A 59 -5.812 -10.171 -5.815 1.00 0.00 N ATOM 890 CA GLU A 59 -6.993 -10.541 -5.044 1.00 0.00 C ATOM 891 C GLU A 59 -7.886 -9.327 -4.800 1.00 0.00 C ATOM 892 O GLU A 59 -7.575 -8.218 -5.233 1.00 0.00 O ATOM 893 CB GLU A 59 -6.583 -11.162 -3.707 1.00 0.00 C ATOM 894 CG GLU A 59 -6.163 -12.618 -3.816 1.00 0.00 C ATOM 895 CD GLU A 59 -5.249 -13.048 -2.685 1.00 0.00 C ATOM 896 OE1 GLU A 59 -5.653 -12.915 -1.511 1.00 0.00 O ATOM 897 OE2 GLU A 59 -4.128 -13.517 -2.975 1.00 0.00 O ATOM 0 H GLU A 59 -5.085 -9.702 -5.275 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.556 -11.275 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.759 -10.586 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.417 -11.084 -3.009 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.052 -13.249 -3.820 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.656 -12.776 -4.768 1.00 0.00 H new ATOM 904 N ARG A 60 -8.998 -9.548 -4.105 1.00 0.00 N ATOM 905 CA ARG A 60 -9.937 -8.474 -3.806 1.00 0.00 C ATOM 906 C ARG A 60 -9.256 -7.361 -3.014 1.00 0.00 C ATOM 907 O ARG A 60 -8.693 -7.583 -1.942 1.00 0.00 O ATOM 908 CB ARG A 60 -11.131 -9.017 -3.019 1.00 0.00 C ATOM 909 CG ARG A 60 -12.305 -9.422 -3.895 1.00 0.00 C ATOM 910 CD ARG A 60 -11.843 -9.860 -5.277 1.00 0.00 C ATOM 911 NE ARG A 60 -12.833 -10.700 -5.944 1.00 0.00 N ATOM 912 CZ ARG A 60 -12.705 -11.138 -7.192 1.00 0.00 C ATOM 913 NH1 ARG A 60 -11.633 -10.817 -7.903 1.00 0.00 N ATOM 914 NH2 ARG A 60 -13.649 -11.900 -7.730 1.00 0.00 N ATOM 0 H ARG A 60 -9.270 -10.460 -3.739 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.290 -8.060 -4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.809 -9.880 -2.436 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.463 -8.259 -2.309 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.853 -10.235 -3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.996 -8.584 -3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.643 -8.980 -5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.904 -10.407 -5.189 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.669 -10.965 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.905 -10.233 -7.492 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.537 -11.154 -8.861 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.474 -12.150 -7.185 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -13.549 -12.235 -8.688 1.00 0.00 H new ATOM 928 N PRO A 61 -9.307 -6.134 -3.554 1.00 0.00 N ATOM 929 CA PRO A 61 -8.700 -4.962 -2.915 1.00 0.00 C ATOM 930 C PRO A 61 -9.441 -4.543 -1.650 1.00 0.00 C ATOM 931 O PRO A 61 -8.828 -4.318 -0.607 1.00 0.00 O ATOM 932 CB PRO A 61 -8.814 -3.875 -3.987 1.00 0.00 C ATOM 933 CG PRO A 61 -9.971 -4.292 -4.828 1.00 0.00 C ATOM 934 CD PRO A 61 -9.961 -5.796 -4.829 1.00 0.00 C ATOM 0 HA PRO A 61 -7.677 -5.157 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.982 -2.895 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.901 -3.804 -4.578 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.907 -3.908 -4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.878 -3.900 -5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.970 -6.204 -4.884 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.410 -6.194 -5.681 1.00 0.00 H new ATOM 942 N GLU A 62 -10.763 -4.441 -1.750 1.00 0.00 N ATOM 943 CA GLU A 62 -11.586 -4.048 -0.613 1.00 0.00 C ATOM 944 C GLU A 62 -11.089 -4.704 0.671 1.00 0.00 C ATOM 945 O GLU A 62 -11.094 -4.090 1.739 1.00 0.00 O ATOM 946 CB GLU A 62 -13.048 -4.426 -0.859 1.00 0.00 C ATOM 947 CG GLU A 62 -13.628 -3.824 -2.128 1.00 0.00 C ATOM 948 CD GLU A 62 -14.199 -2.436 -1.907 1.00 0.00 C ATOM 949 OE1 GLU A 62 -14.977 -2.260 -0.946 1.00 0.00 O ATOM 950 OE2 GLU A 62 -13.867 -1.527 -2.696 1.00 0.00 O ATOM 0 H GLU A 62 -11.286 -4.625 -2.606 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.512 -2.966 -0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.130 -5.512 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.646 -4.102 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.851 -3.776 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.411 -4.478 -2.511 1.00 0.00 H new ATOM 957 N LEU A 63 -10.660 -5.957 0.561 1.00 0.00 N ATOM 958 CA LEU A 63 -10.159 -6.699 1.712 1.00 0.00 C ATOM 959 C LEU A 63 -8.860 -6.089 2.230 1.00 0.00 C ATOM 960 O LEU A 63 -8.741 -5.766 3.412 1.00 0.00 O ATOM 961 CB LEU A 63 -9.935 -8.166 1.341 1.00 0.00 C ATOM 962 CG LEU A 63 -11.184 -9.047 1.305 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.354 -8.289 0.698 1.00 0.00 C ATOM 964 CD2 LEU A 63 -10.912 -10.325 0.525 1.00 0.00 C ATOM 0 H LEU A 63 -10.649 -6.480 -0.315 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.907 -6.641 2.503 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.460 -8.204 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.231 -8.597 2.053 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.445 -9.318 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.234 -8.932 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.564 -7.403 1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.104 -7.988 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.812 -10.940 0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.626 -10.074 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.103 -10.878 1.003 1.00 0.00 H new ATOM 976 N PHE A 64 -7.888 -5.933 1.336 1.00 0.00 N ATOM 977 CA PHE A 64 -6.598 -5.361 1.702 1.00 0.00 C ATOM 978 C PHE A 64 -6.707 -3.851 1.894 1.00 0.00 C ATOM 979 O PHE A 64 -6.527 -3.340 3.000 1.00 0.00 O ATOM 980 CB PHE A 64 -5.554 -5.676 0.629 1.00 0.00 C ATOM 981 CG PHE A 64 -4.144 -5.398 1.065 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.605 -6.043 2.166 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.356 -4.492 0.373 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.308 -5.789 2.570 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.058 -4.233 0.771 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.533 -4.883 1.871 1.00 0.00 C ATOM 0 H PHE A 64 -7.970 -6.195 0.354 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.285 -5.808 2.646 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.639 -6.726 0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.773 -5.089 -0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.206 -6.753 2.715 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.761 -3.982 -0.488 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.900 -6.298 3.431 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.455 -3.524 0.223 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.519 -4.684 2.184 1.00 0.00 H new ATOM 996 N ILE A 65 -7.002 -3.143 0.809 1.00 0.00 N ATOM 997 CA ILE A 65 -7.136 -1.692 0.857 1.00 0.00 C ATOM 998 C ILE A 65 -8.415 -1.235 0.165 1.00 0.00 C ATOM 999 O ILE A 65 -8.942 -1.926 -0.707 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.932 -0.994 0.198 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.652 -1.286 0.984 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -6.173 0.506 0.107 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.386 -1.022 0.198 1.00 0.00 C ATOM 0 H ILE A 65 -7.153 -3.550 -0.114 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.176 -1.413 1.910 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.813 -1.385 -0.812 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.643 -0.676 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.661 -2.328 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.313 0.985 -0.361 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -7.064 0.696 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.315 0.913 1.108 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.519 -1.251 0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.372 -1.651 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.354 0.026 -0.099 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.909 -0.065 0.559 1.00 0.00 N ATOM 1016 CA GLN A 66 -10.127 0.485 -0.024 1.00 0.00 C ATOM 1017 C GLN A 66 -9.905 1.918 -0.496 1.00 0.00 C ATOM 1018 O GLN A 66 -9.865 2.848 0.309 1.00 0.00 O ATOM 1019 CB GLN A 66 -11.270 0.441 0.992 1.00 0.00 C ATOM 1020 CG GLN A 66 -12.644 0.303 0.356 1.00 0.00 C ATOM 1021 CD GLN A 66 -13.211 1.632 -0.101 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -13.132 2.632 0.613 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -13.788 1.650 -1.297 1.00 0.00 N ATOM 0 H GLN A 66 -8.485 0.520 1.279 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.394 -0.125 -0.887 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.108 -0.395 1.673 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.246 1.350 1.593 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.579 -0.373 -0.497 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.328 -0.152 1.072 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.831 0.797 -1.855 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.188 2.516 -1.657 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.761 2.090 -1.806 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.544 3.413 -2.362 1.00 0.00 C ATOM 1034 C GLY A 67 -8.087 3.674 -2.687 1.00 0.00 C ATOM 1035 O GLY A 67 -7.260 2.763 -2.637 1.00 0.00 O ATOM 0 H GLY A 67 -9.791 1.336 -2.493 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.141 3.525 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.895 4.163 -1.654 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.771 4.920 -3.021 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.403 5.298 -3.356 1.00 0.00 C ATOM 1041 C ASP A 68 -5.502 5.220 -2.128 1.00 0.00 C ATOM 1042 O ASP A 68 -4.279 5.136 -2.247 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.371 6.712 -3.938 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.294 7.663 -3.201 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -8.497 7.699 -3.534 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -6.813 8.371 -2.292 1.00 0.00 O ATOM 0 H ASP A 68 -8.443 5.686 -3.067 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.030 4.597 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.351 7.095 -3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.656 6.675 -4.989 1.00 0.00 H new ATOM 1051 N SER A 69 -6.113 5.248 -0.948 1.00 0.00 N ATOM 1052 CA SER A 69 -5.366 5.185 0.302 1.00 0.00 C ATOM 1053 C SER A 69 -5.525 3.818 0.962 1.00 0.00 C ATOM 1054 O SER A 69 -6.421 3.049 0.614 1.00 0.00 O ATOM 1055 CB SER A 69 -5.835 6.283 1.258 1.00 0.00 C ATOM 1056 OG SER A 69 -5.443 6.002 2.590 1.00 0.00 O ATOM 0 H SER A 69 -7.124 5.314 -0.832 1.00 0.00 H new ATOM 0 HA SER A 69 -4.311 5.339 0.074 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.419 7.241 0.948 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.920 6.375 1.207 1.00 0.00 H new ATOM 0 HG SER A 69 -5.754 6.720 3.181 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.648 3.523 1.916 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.690 2.251 2.626 1.00 0.00 C ATOM 1064 C VAL A 70 -5.798 2.243 3.674 1.00 0.00 C ATOM 1065 O VAL A 70 -6.030 3.242 4.354 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.346 1.947 3.314 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.236 1.814 2.282 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.013 3.027 4.332 1.00 0.00 C ATOM 0 H VAL A 70 -3.900 4.148 2.215 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.891 1.480 1.882 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.434 0.997 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.294 1.599 2.787 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.473 1.002 1.595 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.145 2.746 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.060 2.796 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.943 3.992 3.829 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.797 3.068 5.089 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.478 1.108 3.799 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.563 0.969 4.763 1.00 0.00 C ATOM 1080 C ARG A 71 -7.118 1.425 6.150 1.00 0.00 C ATOM 1081 O ARG A 71 -5.927 1.532 6.443 1.00 0.00 O ATOM 1082 CB ARG A 71 -8.041 -0.483 4.820 1.00 0.00 C ATOM 1083 CG ARG A 71 -9.184 -0.785 3.865 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.789 -2.154 4.136 1.00 0.00 C ATOM 1085 NE ARG A 71 -11.203 -2.208 3.778 1.00 0.00 N ATOM 1086 CZ ARG A 71 -12.062 -3.077 4.301 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -11.651 -3.959 5.202 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -13.334 -3.064 3.923 1.00 0.00 N ATOM 0 H ARG A 71 -6.297 0.271 3.245 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.388 1.602 4.438 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.203 -1.142 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.358 -0.713 5.837 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.954 -0.020 3.964 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.822 -0.743 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.243 -2.910 3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.673 -2.399 5.192 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.551 -1.542 3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.674 -3.971 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.312 -4.625 5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.653 -2.387 3.230 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.992 -3.731 4.325 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.097 1.700 7.025 1.00 0.00 N ATOM 1103 CA PRO A 72 -7.831 2.147 8.395 1.00 0.00 C ATOM 1104 C PRO A 72 -7.234 1.043 9.261 1.00 0.00 C ATOM 1105 O PRO A 72 -7.001 1.233 10.454 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.215 2.544 8.914 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.169 1.737 8.102 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.538 1.594 6.744 1.00 0.00 C ATOM 0 HA PRO A 72 -7.101 2.956 8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.317 2.326 9.977 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.393 3.612 8.789 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.341 0.762 8.557 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.138 2.232 8.032 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.788 0.638 6.283 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.873 2.375 6.061 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.987 -0.113 8.651 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.419 -1.230 9.381 1.00 0.00 C ATOM 1118 C GLY A 73 -5.008 -1.558 8.935 1.00 0.00 C ATOM 1119 O GLY A 73 -4.162 -1.928 9.749 1.00 0.00 O ATOM 0 H GLY A 73 -7.170 -0.295 7.664 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.415 -0.999 10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.052 -2.107 9.247 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.753 -1.422 7.638 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.435 -1.706 7.085 1.00 0.00 C ATOM 1125 C ILE A 74 -2.412 -0.671 7.541 1.00 0.00 C ATOM 1126 O ILE A 74 -2.583 0.528 7.316 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.465 -1.738 5.545 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.636 -2.591 5.054 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.148 -2.271 5.001 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.492 -4.061 5.382 1.00 0.00 C ATOM 0 H ILE A 74 -5.442 -1.117 6.951 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.143 -2.689 7.455 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.602 -0.721 5.177 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.559 -2.217 5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.732 -2.476 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.184 -2.288 3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.332 -1.626 5.327 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.983 -3.282 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.358 -4.605 5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.587 -4.451 4.916 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.427 -4.188 6.463 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.348 -1.142 8.181 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.295 -0.257 8.668 1.00 0.00 C ATOM 1144 C LEU A 75 0.884 -0.229 7.701 1.00 0.00 C ATOM 1145 O LEU A 75 1.596 -1.221 7.545 1.00 0.00 O ATOM 1146 CB LEU A 75 0.177 -0.707 10.052 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.791 -0.451 11.207 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.552 -1.443 12.335 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.652 0.977 11.714 1.00 0.00 C ATOM 0 H LEU A 75 -1.191 -2.131 8.375 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.706 0.750 8.740 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.389 -1.775 10.012 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.118 -0.204 10.274 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.808 -0.588 10.839 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.251 -1.245 13.148 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.703 -2.457 11.966 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.469 -1.339 12.701 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.349 1.141 12.536 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.367 1.141 12.064 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.875 1.673 10.906 1.00 0.00 H new ATOM 1161 N VAL A 76 1.085 0.914 7.054 1.00 0.00 N ATOM 1162 CA VAL A 76 2.180 1.073 6.103 1.00 0.00 C ATOM 1163 C VAL A 76 3.367 1.781 6.746 1.00 0.00 C ATOM 1164 O VAL A 76 3.221 2.469 7.757 1.00 0.00 O ATOM 1165 CB VAL A 76 1.734 1.866 4.861 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.392 1.358 4.356 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.667 3.353 5.175 1.00 0.00 C ATOM 0 H VAL A 76 0.504 1.744 7.171 1.00 0.00 H new ATOM 0 HA VAL A 76 2.481 0.071 5.796 1.00 0.00 H new ATOM 0 HB VAL A 76 2.471 1.717 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.093 1.931 3.478 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.478 0.304 4.090 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.359 1.474 5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.350 3.899 4.286 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.951 3.523 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.651 3.704 5.485 1.00 0.00 H new ATOM 1177 N LEU A 77 4.543 1.608 6.153 1.00 0.00 N ATOM 1178 CA LEU A 77 5.758 2.232 6.667 1.00 0.00 C ATOM 1179 C LEU A 77 6.772 2.452 5.549 1.00 0.00 C ATOM 1180 O LEU A 77 7.135 1.517 4.834 1.00 0.00 O ATOM 1181 CB LEU A 77 6.374 1.364 7.766 1.00 0.00 C ATOM 1182 CG LEU A 77 5.897 1.647 9.191 1.00 0.00 C ATOM 1183 CD1 LEU A 77 5.945 0.381 10.031 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.739 2.744 9.827 1.00 0.00 C ATOM 0 H LEU A 77 4.681 1.041 5.316 1.00 0.00 H new ATOM 0 HA LEU A 77 5.490 3.202 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.166 0.319 7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.456 1.488 7.735 1.00 0.00 H new ATOM 0 HG LEU A 77 4.863 1.990 9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.602 0.602 11.042 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.299 -0.376 9.586 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.968 0.008 10.069 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.386 2.932 10.841 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.782 2.430 9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.653 3.657 9.237 1.00 0.00 H new ATOM 1196 N ILE A 78 7.226 3.692 5.405 1.00 0.00 N ATOM 1197 CA ILE A 78 8.201 4.034 4.377 1.00 0.00 C ATOM 1198 C ILE A 78 9.616 4.051 4.944 1.00 0.00 C ATOM 1199 O ILE A 78 9.932 4.848 5.827 1.00 0.00 O ATOM 1200 CB ILE A 78 7.896 5.405 3.745 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.515 5.392 3.088 1.00 0.00 C ATOM 1202 CG2 ILE A 78 8.969 5.771 2.731 1.00 0.00 C ATOM 1203 CD1 ILE A 78 5.921 6.771 2.903 1.00 0.00 C ATOM 0 H ILE A 78 6.934 4.477 5.987 1.00 0.00 H new ATOM 0 HA ILE A 78 8.130 3.265 3.608 1.00 0.00 H new ATOM 0 HB ILE A 78 7.895 6.160 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.588 4.903 2.116 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.838 4.792 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.739 6.742 2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 78 9.938 5.817 3.227 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.999 5.017 1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.942 6.685 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.815 7.255 3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.577 7.368 2.270 1.00 0.00 H new ATOM 1215 N ASN A 79 10.465 3.167 4.430 1.00 0.00 N ATOM 1216 CA ASN A 79 11.848 3.081 4.885 1.00 0.00 C ATOM 1217 C ASN A 79 11.919 3.050 6.409 1.00 0.00 C ATOM 1218 O ASN A 79 12.723 3.756 7.018 1.00 0.00 O ATOM 1219 CB ASN A 79 12.657 4.265 4.350 1.00 0.00 C ATOM 1220 CG ASN A 79 13.116 4.052 2.920 1.00 0.00 C ATOM 1221 OD1 ASN A 79 13.431 2.932 2.518 1.00 0.00 O ATOM 1222 ND2 ASN A 79 13.155 5.130 2.145 1.00 0.00 N ATOM 0 H ASN A 79 10.220 2.500 3.698 1.00 0.00 H new ATOM 0 HA ASN A 79 12.274 2.154 4.500 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.051 5.169 4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.526 4.426 4.988 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.455 5.049 1.174 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.885 6.039 2.521 1.00 0.00 H new ATOM 1229 N ASP A 80 11.072 2.228 7.018 1.00 0.00 N ATOM 1230 CA ASP A 80 11.039 2.103 8.470 1.00 0.00 C ATOM 1231 C ASP A 80 10.654 3.428 9.121 1.00 0.00 C ATOM 1232 O ASP A 80 11.329 3.900 10.036 1.00 0.00 O ATOM 1233 CB ASP A 80 12.398 1.638 8.995 1.00 0.00 C ATOM 1234 CG ASP A 80 12.755 0.243 8.522 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.961 0.063 7.303 1.00 0.00 O ATOM 1236 OD2 ASP A 80 12.829 -0.670 9.371 1.00 0.00 O ATOM 0 H ASP A 80 10.399 1.638 6.529 1.00 0.00 H new ATOM 0 HA ASP A 80 10.285 1.359 8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.168 2.337 8.670 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.389 1.658 10.085 1.00 0.00 H new ATOM 1241 N ALA A 81 9.568 4.024 8.642 1.00 0.00 N ATOM 1242 CA ALA A 81 9.093 5.294 9.177 1.00 0.00 C ATOM 1243 C ALA A 81 7.629 5.526 8.823 1.00 0.00 C ATOM 1244 O ALA A 81 7.254 5.514 7.650 1.00 0.00 O ATOM 1245 CB ALA A 81 9.952 6.438 8.660 1.00 0.00 C ATOM 0 H ALA A 81 9.000 3.647 7.883 1.00 0.00 H new ATOM 0 HA ALA A 81 9.174 5.256 10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.586 7.381 9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.986 6.286 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.900 6.469 7.572 1.00 0.00 H new ATOM 1251 N ASP A 82 6.804 5.738 9.843 1.00 0.00 N ATOM 1252 CA ASP A 82 5.380 5.974 9.639 1.00 0.00 C ATOM 1253 C ASP A 82 5.149 6.939 8.480 1.00 0.00 C ATOM 1254 O ASP A 82 5.677 8.051 8.472 1.00 0.00 O ATOM 1255 CB ASP A 82 4.745 6.528 10.915 1.00 0.00 C ATOM 1256 CG ASP A 82 5.233 5.817 12.161 1.00 0.00 C ATOM 1257 OD1 ASP A 82 5.392 4.579 12.113 1.00 0.00 O ATOM 1258 OD2 ASP A 82 5.456 6.497 13.185 1.00 0.00 O ATOM 0 H ASP A 82 7.098 5.751 10.820 1.00 0.00 H new ATOM 0 HA ASP A 82 4.911 5.021 9.393 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.969 7.592 10.996 1.00 0.00 H new ATOM 0 HB3 ASP A 82 3.661 6.434 10.848 1.00 0.00 H new ATOM 1263 N TRP A 83 4.360 6.505 7.504 1.00 0.00 N ATOM 1264 CA TRP A 83 4.061 7.331 6.339 1.00 0.00 C ATOM 1265 C TRP A 83 3.238 8.552 6.735 1.00 0.00 C ATOM 1266 O TRP A 83 3.194 9.543 6.006 1.00 0.00 O ATOM 1267 CB TRP A 83 3.309 6.512 5.288 1.00 0.00 C ATOM 1268 CG TRP A 83 1.895 6.201 5.677 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.449 5.828 6.913 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.745 6.234 4.826 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.090 5.627 6.881 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.366 5.870 5.612 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.545 6.537 3.476 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.655 5.801 5.091 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.736 6.468 2.961 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.822 6.103 3.767 1.00 0.00 C ATOM 0 H TRP A 83 3.916 5.587 7.496 1.00 0.00 H new ATOM 0 HA TRP A 83 5.005 7.674 5.915 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.307 7.059 4.345 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.844 5.578 5.114 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.073 5.709 7.787 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.486 5.343 7.673 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.376 6.820 2.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.494 5.519 5.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.902 6.699 1.919 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.811 6.059 3.335 1.00 0.00 H new ATOM 1287 N GLU A 84 2.589 8.474 7.892 1.00 0.00 N ATOM 1288 CA GLU A 84 1.768 9.574 8.382 1.00 0.00 C ATOM 1289 C GLU A 84 2.638 10.749 8.821 1.00 0.00 C ATOM 1290 O GLU A 84 2.277 11.910 8.625 1.00 0.00 O ATOM 1291 CB GLU A 84 0.895 9.108 9.549 1.00 0.00 C ATOM 1292 CG GLU A 84 0.044 7.892 9.225 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.836 7.469 10.385 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -1.283 8.354 11.145 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.079 6.253 10.532 1.00 0.00 O ATOM 0 H GLU A 84 2.616 7.661 8.507 1.00 0.00 H new ATOM 0 HA GLU A 84 1.125 9.905 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.535 8.877 10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.243 9.927 9.853 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.582 8.112 8.360 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.694 7.063 8.946 1.00 0.00 H new ATOM 1302 N LEU A 85 3.784 10.438 9.417 1.00 0.00 N ATOM 1303 CA LEU A 85 4.706 11.467 9.885 1.00 0.00 C ATOM 1304 C LEU A 85 5.297 12.243 8.712 1.00 0.00 C ATOM 1305 O LEU A 85 5.462 13.462 8.780 1.00 0.00 O ATOM 1306 CB LEU A 85 5.829 10.836 10.710 1.00 0.00 C ATOM 1307 CG LEU A 85 5.564 10.699 12.210 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.234 10.004 12.456 1.00 0.00 C ATOM 1309 CD2 LEU A 85 6.697 9.941 12.885 1.00 0.00 C ATOM 0 H LEU A 85 4.097 9.482 9.587 1.00 0.00 H new ATOM 0 HA LEU A 85 4.148 12.162 10.513 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.037 9.845 10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.732 11.432 10.574 1.00 0.00 H new ATOM 0 HG LEU A 85 5.514 11.698 12.643 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.063 9.916 13.529 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.430 10.587 12.007 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.255 9.010 12.009 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.491 9.853 13.952 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.780 8.946 12.448 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.633 10.480 12.739 1.00 0.00 H new ATOM 1321 N LEU A 86 5.611 11.531 7.636 1.00 0.00 N ATOM 1322 CA LEU A 86 6.181 12.153 6.446 1.00 0.00 C ATOM 1323 C LEU A 86 5.086 12.730 5.555 1.00 0.00 C ATOM 1324 O LEU A 86 5.007 13.942 5.357 1.00 0.00 O ATOM 1325 CB LEU A 86 7.009 11.134 5.660 1.00 0.00 C ATOM 1326 CG LEU A 86 7.840 10.159 6.494 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.009 8.838 5.760 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.197 10.763 6.827 1.00 0.00 C ATOM 0 H LEU A 86 5.481 10.522 7.563 1.00 0.00 H new ATOM 0 HA LEU A 86 6.829 12.968 6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.334 10.557 5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.681 11.677 4.995 1.00 0.00 H new ATOM 0 HG LEU A 86 7.311 9.968 7.427 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.603 8.157 6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.030 8.398 5.573 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.516 9.012 4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.775 10.055 7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.733 10.985 5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.056 11.683 7.395 1.00 0.00 H new ATOM 1340 N GLY A 87 4.240 11.853 5.022 1.00 0.00 N ATOM 1341 CA GLY A 87 3.159 12.295 4.161 1.00 0.00 C ATOM 1342 C GLY A 87 2.346 11.139 3.611 1.00 0.00 C ATOM 1343 O GLY A 87 2.654 10.608 2.545 1.00 0.00 O ATOM 0 H GLY A 87 4.284 10.845 5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.503 12.963 4.720 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.571 12.872 3.333 1.00 0.00 H new ATOM 1347 N GLU A 88 1.307 10.748 4.342 1.00 0.00 N ATOM 1348 CA GLU A 88 0.450 9.646 3.922 1.00 0.00 C ATOM 1349 C GLU A 88 0.317 9.609 2.402 1.00 0.00 C ATOM 1350 O GLU A 88 0.624 8.601 1.765 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.933 9.773 4.563 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.910 9.694 6.080 1.00 0.00 C ATOM 1353 CD GLU A 88 -2.277 9.404 6.670 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -3.045 8.645 6.042 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -2.579 9.936 7.759 1.00 0.00 O ATOM 0 H GLU A 88 1.039 11.178 5.227 1.00 0.00 H new ATOM 0 HA GLU A 88 0.911 8.715 4.252 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.377 10.722 4.264 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.577 8.984 4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.212 8.916 6.389 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.536 10.635 6.483 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.143 10.715 1.828 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.318 10.810 0.383 1.00 0.00 C ATOM 1364 C LEU A 89 0.514 11.952 -0.192 1.00 0.00 C ATOM 1365 O LEU A 89 0.854 11.951 -1.375 1.00 0.00 O ATOM 1366 CB LEU A 89 -1.795 11.017 0.041 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.744 9.893 0.455 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.187 10.282 0.175 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.388 8.601 -0.266 1.00 0.00 C ATOM 0 H LEU A 89 -0.401 11.558 2.341 1.00 0.00 H new ATOM 0 HA LEU A 89 0.024 9.876 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.130 11.941 0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.881 11.160 -1.036 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.635 9.729 1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.848 9.469 0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.437 11.181 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.312 10.475 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.074 7.812 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.467 8.752 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.368 8.313 -0.014 1.00 0.00 H new ATOM 1381 N ASP A 90 0.840 12.923 0.653 1.00 0.00 N ATOM 1382 CA ASP A 90 1.635 14.070 0.230 1.00 0.00 C ATOM 1383 C ASP A 90 3.070 13.653 -0.075 1.00 0.00 C ATOM 1384 O ASP A 90 3.786 14.341 -0.803 1.00 0.00 O ATOM 1385 CB ASP A 90 1.625 15.152 1.312 1.00 0.00 C ATOM 1386 CG ASP A 90 0.219 15.566 1.702 1.00 0.00 C ATOM 1387 OD1 ASP A 90 -0.610 15.782 0.793 1.00 0.00 O ATOM 1388 OD2 ASP A 90 -0.051 15.675 2.916 1.00 0.00 O ATOM 0 H ASP A 90 0.566 12.939 1.635 1.00 0.00 H new ATOM 0 HA ASP A 90 1.191 14.473 -0.680 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.151 14.785 2.194 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.172 16.025 0.955 1.00 0.00 H new ATOM 1393 N TYR A 91 3.484 12.522 0.486 1.00 0.00 N ATOM 1394 CA TYR A 91 4.835 12.015 0.277 1.00 0.00 C ATOM 1395 C TYR A 91 5.051 11.628 -1.183 1.00 0.00 C ATOM 1396 O TYR A 91 4.139 11.137 -1.847 1.00 0.00 O ATOM 1397 CB TYR A 91 5.095 10.809 1.180 1.00 0.00 C ATOM 1398 CG TYR A 91 6.549 10.398 1.238 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.124 9.659 0.212 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.348 10.748 2.320 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.452 9.281 0.261 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.677 10.376 2.377 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.224 9.642 1.345 1.00 0.00 C ATOM 1404 OH TYR A 91 10.547 9.268 1.398 1.00 0.00 O ATOM 0 H TYR A 91 2.903 11.939 1.089 1.00 0.00 H new ATOM 0 HA TYR A 91 5.537 12.809 0.532 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.751 11.040 2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.502 9.966 0.826 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.523 9.375 -0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 91 6.922 11.321 3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.883 8.706 -0.545 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.284 10.658 3.224 1.00 0.00 H new ATOM 0 HH TYR A 91 10.949 9.603 2.227 1.00 0.00 H new ATOM 1414 N GLN A 92 6.266 11.852 -1.674 1.00 0.00 N ATOM 1415 CA GLN A 92 6.603 11.526 -3.055 1.00 0.00 C ATOM 1416 C GLN A 92 7.680 10.448 -3.113 1.00 0.00 C ATOM 1417 O GLN A 92 8.866 10.730 -2.931 1.00 0.00 O ATOM 1418 CB GLN A 92 7.077 12.778 -3.795 1.00 0.00 C ATOM 1419 CG GLN A 92 6.160 13.977 -3.612 1.00 0.00 C ATOM 1420 CD GLN A 92 6.661 15.211 -4.336 1.00 0.00 C ATOM 1421 OE1 GLN A 92 7.804 15.256 -4.792 1.00 0.00 O ATOM 1422 NE2 GLN A 92 5.807 16.221 -4.446 1.00 0.00 N ATOM 0 H GLN A 92 7.032 12.257 -1.137 1.00 0.00 H new ATOM 0 HA GLN A 92 5.706 11.143 -3.541 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.076 13.039 -3.447 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.159 12.552 -4.858 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.164 13.726 -3.976 1.00 0.00 H new ATOM 0 HG3 GLN A 92 6.065 14.198 -2.549 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.869 16.141 -4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.089 17.077 -4.923 1.00 0.00 H new ATOM 1431 N LEU A 93 7.262 9.214 -3.367 1.00 0.00 N ATOM 1432 CA LEU A 93 8.191 8.092 -3.448 1.00 0.00 C ATOM 1433 C LEU A 93 9.225 8.321 -4.546 1.00 0.00 C ATOM 1434 O LEU A 93 8.886 8.732 -5.655 1.00 0.00 O ATOM 1435 CB LEU A 93 7.430 6.792 -3.711 1.00 0.00 C ATOM 1436 CG LEU A 93 6.672 6.205 -2.520 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.240 4.776 -2.813 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.529 6.258 -1.264 1.00 0.00 C ATOM 0 H LEU A 93 6.285 8.964 -3.521 1.00 0.00 H new ATOM 0 HA LEU A 93 8.712 8.013 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.719 6.968 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.139 6.045 -4.068 1.00 0.00 H new ATOM 0 HG LEU A 93 5.778 6.805 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.702 4.375 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.588 4.765 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.120 4.163 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.973 5.836 -0.426 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.441 5.682 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.787 7.294 -1.043 1.00 0.00 H new ATOM 1450 N GLN A 94 10.487 8.049 -4.229 1.00 0.00 N ATOM 1451 CA GLN A 94 11.570 8.223 -5.190 1.00 0.00 C ATOM 1452 C GLN A 94 12.205 6.883 -5.544 1.00 0.00 C ATOM 1453 O GLN A 94 11.738 5.830 -5.110 1.00 0.00 O ATOM 1454 CB GLN A 94 12.631 9.171 -4.627 1.00 0.00 C ATOM 1455 CG GLN A 94 12.088 10.542 -4.259 1.00 0.00 C ATOM 1456 CD GLN A 94 12.070 11.498 -5.436 1.00 0.00 C ATOM 1457 OE1 GLN A 94 13.074 12.139 -5.746 1.00 0.00 O ATOM 1458 NE2 GLN A 94 10.924 11.598 -6.099 1.00 0.00 N ATOM 0 H GLN A 94 10.784 7.708 -3.315 1.00 0.00 H new ATOM 0 HA GLN A 94 11.150 8.656 -6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 94 13.079 8.718 -3.743 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.427 9.290 -5.362 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.076 10.435 -3.867 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.696 10.967 -3.460 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.116 11.048 -5.807 1.00 0.00 H new ATOM 0 HE22 GLN A 94 10.851 12.225 -6.900 1.00 0.00 H new ATOM 1467 N ASP A 95 13.271 6.930 -6.335 1.00 0.00 N ATOM 1468 CA ASP A 95 13.971 5.718 -6.748 1.00 0.00 C ATOM 1469 C ASP A 95 14.704 5.086 -5.569 1.00 0.00 C ATOM 1470 O ASP A 95 15.021 5.761 -4.590 1.00 0.00 O ATOM 1471 CB ASP A 95 14.960 6.033 -7.871 1.00 0.00 C ATOM 1472 CG ASP A 95 15.270 4.820 -8.726 1.00 0.00 C ATOM 1473 OD1 ASP A 95 15.160 3.688 -8.211 1.00 0.00 O ATOM 1474 OD2 ASP A 95 15.625 5.003 -9.909 1.00 0.00 O ATOM 0 H ASP A 95 13.670 7.794 -6.703 1.00 0.00 H new ATOM 0 HA ASP A 95 13.231 5.007 -7.115 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.551 6.823 -8.501 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.885 6.416 -7.440 1.00 0.00 H new ATOM 1479 N GLN A 96 14.969 3.788 -5.671 1.00 0.00 N ATOM 1480 CA GLN A 96 15.663 3.065 -4.612 1.00 0.00 C ATOM 1481 C GLN A 96 14.972 3.272 -3.268 1.00 0.00 C ATOM 1482 O GLN A 96 15.614 3.615 -2.275 1.00 0.00 O ATOM 1483 CB GLN A 96 17.120 3.521 -4.525 1.00 0.00 C ATOM 1484 CG GLN A 96 18.023 2.877 -5.565 1.00 0.00 C ATOM 1485 CD GLN A 96 17.408 2.875 -6.950 1.00 0.00 C ATOM 1486 OE1 GLN A 96 17.533 3.844 -7.699 1.00 0.00 O ATOM 1487 NE2 GLN A 96 16.737 1.783 -7.299 1.00 0.00 N ATOM 0 H GLN A 96 14.714 3.216 -6.476 1.00 0.00 H new ATOM 0 HA GLN A 96 15.636 2.003 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.160 4.604 -4.642 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.505 3.293 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.974 3.409 -5.595 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.241 1.851 -5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.658 1.003 -6.647 1.00 0.00 H new ATOM 0 HE22 GLN A 96 16.301 1.725 -8.219 1.00 0.00 H new ATOM 1496 N ASP A 97 13.660 3.061 -3.244 1.00 0.00 N ATOM 1497 CA ASP A 97 12.882 3.224 -2.022 1.00 0.00 C ATOM 1498 C ASP A 97 12.436 1.871 -1.478 1.00 0.00 C ATOM 1499 O ASP A 97 12.718 0.829 -2.069 1.00 0.00 O ATOM 1500 CB ASP A 97 11.663 4.110 -2.283 1.00 0.00 C ATOM 1501 CG ASP A 97 12.017 5.584 -2.330 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.118 5.914 -2.819 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.194 6.406 -1.879 1.00 0.00 O ATOM 0 H ASP A 97 13.114 2.777 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 97 13.517 3.703 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.202 3.820 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.922 3.942 -1.502 1.00 0.00 H new ATOM 1508 N SER A 98 11.737 1.895 -0.347 1.00 0.00 N ATOM 1509 CA SER A 98 11.256 0.669 0.280 1.00 0.00 C ATOM 1510 C SER A 98 9.960 0.923 1.045 1.00 0.00 C ATOM 1511 O SER A 98 9.904 1.785 1.922 1.00 0.00 O ATOM 1512 CB SER A 98 12.317 0.104 1.226 1.00 0.00 C ATOM 1513 OG SER A 98 11.797 -0.965 1.997 1.00 0.00 O ATOM 0 H SER A 98 11.491 2.749 0.153 1.00 0.00 H new ATOM 0 HA SER A 98 11.057 -0.058 -0.507 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.175 -0.243 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.676 0.893 1.888 1.00 0.00 H new ATOM 0 HG SER A 98 11.190 -1.502 1.445 1.00 0.00 H new ATOM 1519 N ILE A 99 8.922 0.167 0.705 1.00 0.00 N ATOM 1520 CA ILE A 99 7.628 0.308 1.359 1.00 0.00 C ATOM 1521 C ILE A 99 7.236 -0.974 2.086 1.00 0.00 C ATOM 1522 O ILE A 99 7.454 -2.077 1.584 1.00 0.00 O ATOM 1523 CB ILE A 99 6.523 0.669 0.349 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.060 1.645 -0.701 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.322 1.266 1.068 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.516 2.965 -0.121 1.00 0.00 C ATOM 0 H ILE A 99 8.952 -0.550 -0.020 1.00 0.00 H new ATOM 0 HA ILE A 99 7.727 1.117 2.082 1.00 0.00 H new ATOM 0 HB ILE A 99 6.203 -0.242 -0.158 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.895 1.180 -1.225 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.283 1.832 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.550 1.516 0.341 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.928 0.542 1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.627 2.168 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.884 3.607 -0.922 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.678 3.452 0.378 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.315 2.789 0.599 1.00 0.00 H new ATOM 1538 N LEU A 100 6.656 -0.821 3.272 1.00 0.00 N ATOM 1539 CA LEU A 100 6.232 -1.967 4.069 1.00 0.00 C ATOM 1540 C LEU A 100 4.746 -1.877 4.403 1.00 0.00 C ATOM 1541 O LEU A 100 4.252 -0.823 4.803 1.00 0.00 O ATOM 1542 CB LEU A 100 7.052 -2.048 5.358 1.00 0.00 C ATOM 1543 CG LEU A 100 6.615 -3.112 6.366 1.00 0.00 C ATOM 1544 CD1 LEU A 100 7.136 -4.481 5.956 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.097 -2.752 7.763 1.00 0.00 C ATOM 0 H LEU A 100 6.469 0.085 3.702 1.00 0.00 H new ATOM 0 HA LEU A 100 6.400 -2.870 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 100 8.093 -2.234 5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.017 -1.075 5.849 1.00 0.00 H new ATOM 0 HG LEU A 100 5.526 -3.149 6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.815 -5.226 6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.742 -4.741 4.974 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.225 -4.459 5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.777 -3.520 8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.185 -2.687 7.767 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.675 -1.791 8.057 1.00 0.00 H new ATOM 1557 N PHE A 101 4.040 -2.991 4.238 1.00 0.00 N ATOM 1558 CA PHE A 101 2.611 -3.039 4.523 1.00 0.00 C ATOM 1559 C PHE A 101 2.288 -4.165 5.501 1.00 0.00 C ATOM 1560 O PHE A 101 2.694 -5.310 5.301 1.00 0.00 O ATOM 1561 CB PHE A 101 1.817 -3.230 3.228 1.00 0.00 C ATOM 1562 CG PHE A 101 1.990 -2.105 2.247 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.092 -2.065 1.407 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.052 -1.089 2.165 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.254 -1.031 0.505 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.209 -0.053 1.264 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.311 -0.025 0.432 1.00 0.00 C ATOM 0 H PHE A 101 4.434 -3.872 3.909 1.00 0.00 H new ATOM 0 HA PHE A 101 2.326 -2.092 4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.125 -4.163 2.757 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.759 -3.330 3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.832 -2.850 1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.188 -1.107 2.813 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.118 -1.010 -0.143 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.471 0.734 1.211 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.435 0.782 -0.275 1.00 0.00 H new ATOM 1577 N ILE A 102 1.557 -3.830 6.559 1.00 0.00 N ATOM 1578 CA ILE A 102 1.180 -4.812 7.567 1.00 0.00 C ATOM 1579 C ILE A 102 -0.336 -4.947 7.664 1.00 0.00 C ATOM 1580 O ILE A 102 -1.061 -3.953 7.634 1.00 0.00 O ATOM 1581 CB ILE A 102 1.741 -4.440 8.953 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.270 -4.492 8.940 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.182 -5.371 10.018 1.00 0.00 C ATOM 1584 CD1 ILE A 102 3.899 -4.100 10.258 1.00 0.00 C ATOM 0 H ILE A 102 1.214 -2.886 6.740 1.00 0.00 H new ATOM 0 HA ILE A 102 1.608 -5.765 7.255 1.00 0.00 H new ATOM 0 HB ILE A 102 1.434 -3.422 9.191 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.589 -5.501 8.680 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.641 -3.830 8.158 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.588 -5.095 10.991 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.095 -5.287 10.041 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.462 -6.399 9.786 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.984 -4.160 10.175 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.610 -3.080 10.510 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.557 -4.778 11.040 1.00 0.00 H new ATOM 1596 N SER A 103 -0.808 -6.184 7.782 1.00 0.00 N ATOM 1597 CA SER A 103 -2.238 -6.449 7.881 1.00 0.00 C ATOM 1598 C SER A 103 -2.636 -6.749 9.323 1.00 0.00 C ATOM 1599 O SER A 103 -2.239 -7.767 9.892 1.00 0.00 O ATOM 1600 CB SER A 103 -2.624 -7.623 6.979 1.00 0.00 C ATOM 1601 OG SER A 103 -2.925 -7.181 5.667 1.00 0.00 O ATOM 0 H SER A 103 -0.221 -7.018 7.811 1.00 0.00 H new ATOM 0 HA SER A 103 -2.772 -5.557 7.553 1.00 0.00 H new ATOM 0 HB2 SER A 103 -1.807 -8.343 6.945 1.00 0.00 H new ATOM 0 HB3 SER A 103 -3.487 -8.140 7.399 1.00 0.00 H new ATOM 0 HG SER A 103 -3.460 -7.862 5.207 1.00 0.00 H new ATOM 1607 N THR A 104 -3.425 -5.854 9.911 1.00 0.00 N ATOM 1608 CA THR A 104 -3.876 -6.020 11.287 1.00 0.00 C ATOM 1609 C THR A 104 -5.385 -5.831 11.397 1.00 0.00 C ATOM 1610 O THR A 104 -5.877 -5.217 12.345 1.00 0.00 O ATOM 1611 CB THR A 104 -3.176 -5.026 12.232 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.623 -5.231 13.577 1.00 0.00 O ATOM 1613 CG2 THR A 104 -3.454 -3.591 11.812 1.00 0.00 C ATOM 0 H THR A 104 -3.765 -5.007 9.455 1.00 0.00 H new ATOM 0 HA THR A 104 -3.616 -7.036 11.584 1.00 0.00 H new ATOM 0 HB THR A 104 -2.102 -5.201 12.176 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.600 -5.168 13.610 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.949 -2.908 12.495 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.085 -3.430 10.799 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.528 -3.405 11.841 1.00 0.00 H new