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 Single : A 13 CYS SG : rot 180:sc= -0.0152 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -156:sc= -0.0768 (180deg=-0.544) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -5.06! C(o=-5.1!,f=-6!) USER MOD Single : A 33 GLN : amide:sc= -0.0245 K(o=-0.025,f=-2.6!) USER MOD Single : A 39 GLN : amide:sc= -0.0945 K(o=-0.095,f=-0.71) USER MOD Single : A 47 ASN : amide:sc= -0.0255 X(o=-0.025,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -161:sc= -2.26! (180deg=-3.27!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -3.39 K(o=-3.4,f=-2.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0522 K(o=-0.052,f=-1.8!) USER MOD Single : A 69 SER OG : rot 60:sc= -2.64! USER MOD Single : A 79 ASN : amide:sc= -0.144 X(o=-0.14,f=-0.051) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.2) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 GLN : amide:sc= -4.22! C(o=-4.2!,f=-1.9!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -15:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 83 N ALA A 9 10.691 11.909 -17.412 1.00 0.00 N ATOM 84 CA ALA A 9 11.416 11.348 -16.279 1.00 0.00 C ATOM 85 C ALA A 9 11.711 9.868 -16.493 1.00 0.00 C ATOM 86 O ALA A 9 11.205 9.254 -17.433 1.00 0.00 O ATOM 87 CB ALA A 9 10.625 11.551 -14.995 1.00 0.00 C ATOM 0 HA ALA A 9 12.368 11.871 -16.193 1.00 0.00 H new ATOM 0 HB1 ALA A 9 11.178 11.127 -14.156 1.00 0.00 H new ATOM 0 HB2 ALA A 9 10.471 12.617 -14.827 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.659 11.054 -15.081 1.00 0.00 H new ATOM 93 N ALA A 10 12.532 9.300 -15.616 1.00 0.00 N ATOM 94 CA ALA A 10 12.893 7.890 -15.710 1.00 0.00 C ATOM 95 C ALA A 10 12.081 7.050 -14.730 1.00 0.00 C ATOM 96 O ALA A 10 11.571 7.544 -13.725 1.00 0.00 O ATOM 97 CB ALA A 10 14.382 7.709 -15.455 1.00 0.00 C ATOM 0 H ALA A 10 12.960 9.794 -14.833 1.00 0.00 H new ATOM 0 HA ALA A 10 12.664 7.547 -16.719 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.638 6.652 -15.528 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.949 8.272 -16.196 1.00 0.00 H new ATOM 0 HB3 ALA A 10 14.627 8.073 -14.457 1.00 0.00 H new ATOM 103 N PRO A 11 11.955 5.748 -15.029 1.00 0.00 N ATOM 104 CA PRO A 11 11.206 4.812 -14.186 1.00 0.00 C ATOM 105 C PRO A 11 11.903 4.540 -12.858 1.00 0.00 C ATOM 106 O PRO A 11 13.079 4.174 -12.826 1.00 0.00 O ATOM 107 CB PRO A 11 11.153 3.537 -15.033 1.00 0.00 C ATOM 108 CG PRO A 11 12.342 3.627 -15.926 1.00 0.00 C ATOM 109 CD PRO A 11 12.537 5.090 -16.211 1.00 0.00 C ATOM 0 HA PRO A 11 10.225 5.203 -13.916 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.193 2.645 -14.408 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.229 3.482 -15.608 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.224 3.202 -15.446 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.181 3.068 -16.848 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.591 5.339 -16.331 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.032 5.392 -17.128 1.00 0.00 H new ATOM 117 N LEU A 12 11.172 4.722 -11.763 1.00 0.00 N ATOM 118 CA LEU A 12 11.721 4.496 -10.431 1.00 0.00 C ATOM 119 C LEU A 12 11.325 3.120 -9.905 1.00 0.00 C ATOM 120 O LEU A 12 10.267 2.594 -10.251 1.00 0.00 O ATOM 121 CB LEU A 12 11.238 5.582 -9.468 1.00 0.00 C ATOM 122 CG LEU A 12 9.928 5.293 -8.734 1.00 0.00 C ATOM 123 CD1 LEU A 12 10.179 4.416 -7.518 1.00 0.00 C ATOM 124 CD2 LEU A 12 9.248 6.592 -8.326 1.00 0.00 C ATOM 0 H LEU A 12 10.198 5.025 -11.772 1.00 0.00 H new ATOM 0 HA LEU A 12 12.808 4.538 -10.501 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.017 5.754 -8.725 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.121 6.510 -10.028 1.00 0.00 H new ATOM 0 HG LEU A 12 9.265 4.756 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.235 4.221 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.622 3.472 -7.835 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.861 4.925 -6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.317 6.367 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 12 9.907 7.156 -7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.032 7.185 -9.215 1.00 0.00 H new ATOM 136 N CYS A 13 12.179 2.545 -9.065 1.00 0.00 N ATOM 137 CA CYS A 13 11.917 1.231 -8.489 1.00 0.00 C ATOM 138 C CYS A 13 11.816 1.313 -6.970 1.00 0.00 C ATOM 139 O CYS A 13 12.510 2.107 -6.333 1.00 0.00 O ATOM 140 CB CYS A 13 13.019 0.248 -8.887 1.00 0.00 C ATOM 141 SG CYS A 13 12.998 -0.217 -10.634 1.00 0.00 S ATOM 0 H CYS A 13 13.058 2.968 -8.768 1.00 0.00 H new ATOM 0 HA CYS A 13 10.964 0.874 -8.879 1.00 0.00 H new ATOM 0 HB2 CYS A 13 13.987 0.689 -8.651 1.00 0.00 H new ATOM 0 HB3 CYS A 13 12.923 -0.653 -8.281 1.00 0.00 H new ATOM 0 HG CYS A 13 13.968 -1.049 -10.873 1.00 0.00 H new ATOM 147 N VAL A 14 10.947 0.489 -6.394 1.00 0.00 N ATOM 148 CA VAL A 14 10.755 0.468 -4.948 1.00 0.00 C ATOM 149 C VAL A 14 10.547 -0.954 -4.442 1.00 0.00 C ATOM 150 O VAL A 14 9.837 -1.748 -5.060 1.00 0.00 O ATOM 151 CB VAL A 14 9.550 1.332 -4.530 1.00 0.00 C ATOM 152 CG1 VAL A 14 9.756 2.778 -4.956 1.00 0.00 C ATOM 153 CG2 VAL A 14 8.264 0.772 -5.119 1.00 0.00 C ATOM 0 H VAL A 14 10.364 -0.173 -6.906 1.00 0.00 H new ATOM 0 HA VAL A 14 11.660 0.880 -4.502 1.00 0.00 H new ATOM 0 HB VAL A 14 9.466 1.307 -3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.895 3.373 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.655 3.172 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.866 2.826 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.423 1.394 -4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.335 0.765 -6.207 1.00 0.00 H new ATOM 0 HG23 VAL A 14 8.112 -0.246 -4.759 1.00 0.00 H new ATOM 163 N LYS A 15 11.171 -1.271 -3.312 1.00 0.00 N ATOM 164 CA LYS A 15 11.054 -2.598 -2.719 1.00 0.00 C ATOM 165 C LYS A 15 9.906 -2.646 -1.715 1.00 0.00 C ATOM 166 O LYS A 15 9.954 -1.997 -0.671 1.00 0.00 O ATOM 167 CB LYS A 15 12.363 -2.989 -2.031 1.00 0.00 C ATOM 168 CG LYS A 15 13.393 -3.584 -2.976 1.00 0.00 C ATOM 169 CD LYS A 15 14.806 -3.402 -2.449 1.00 0.00 C ATOM 170 CE LYS A 15 15.024 -4.178 -1.159 1.00 0.00 C ATOM 171 NZ LYS A 15 16.470 -4.298 -0.822 1.00 0.00 N ATOM 0 H LYS A 15 11.763 -0.626 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 15 10.845 -3.309 -3.519 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.789 -2.108 -1.551 1.00 0.00 H new ATOM 0 HB3 LYS A 15 12.148 -3.709 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.190 -4.646 -3.115 1.00 0.00 H new ATOM 0 HG3 LYS A 15 13.305 -3.112 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.522 -3.735 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 15 14.997 -2.343 -2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.501 -3.680 -0.343 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.590 -5.173 -1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 16.577 -4.833 0.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.965 -4.796 -1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.879 -3.349 -0.704 1.00 0.00 H new ATOM 185 N VAL A 16 8.875 -3.420 -2.039 1.00 0.00 N ATOM 186 CA VAL A 16 7.716 -3.555 -1.164 1.00 0.00 C ATOM 187 C VAL A 16 7.794 -4.837 -0.342 1.00 0.00 C ATOM 188 O VAL A 16 8.341 -5.842 -0.793 1.00 0.00 O ATOM 189 CB VAL A 16 6.403 -3.554 -1.968 1.00 0.00 C ATOM 190 CG1 VAL A 16 5.221 -3.860 -1.061 1.00 0.00 C ATOM 191 CG2 VAL A 16 6.212 -2.220 -2.674 1.00 0.00 C ATOM 0 H VAL A 16 8.819 -3.963 -2.901 1.00 0.00 H new ATOM 0 HA VAL A 16 7.724 -2.696 -0.494 1.00 0.00 H new ATOM 0 HB VAL A 16 6.461 -4.335 -2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 16 4.302 -3.855 -1.647 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.356 -4.841 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 16 5.157 -3.103 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 16 5.279 -2.237 -3.238 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.175 -1.419 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.045 -2.047 -3.356 1.00 0.00 H new ATOM 201 N GLU A 17 7.243 -4.793 0.867 1.00 0.00 N ATOM 202 CA GLU A 17 7.251 -5.951 1.752 1.00 0.00 C ATOM 203 C GLU A 17 5.951 -6.039 2.546 1.00 0.00 C ATOM 204 O GLU A 17 5.568 -5.095 3.237 1.00 0.00 O ATOM 205 CB GLU A 17 8.442 -5.881 2.710 1.00 0.00 C ATOM 206 CG GLU A 17 8.754 -7.202 3.392 1.00 0.00 C ATOM 207 CD GLU A 17 9.522 -7.024 4.687 1.00 0.00 C ATOM 208 OE1 GLU A 17 10.656 -6.504 4.638 1.00 0.00 O ATOM 209 OE2 GLU A 17 8.988 -7.405 5.750 1.00 0.00 O ATOM 0 H GLU A 17 6.786 -3.968 1.255 1.00 0.00 H new ATOM 0 HA GLU A 17 7.341 -6.845 1.136 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.322 -5.550 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.241 -5.127 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.822 -7.730 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.333 -7.829 2.714 1.00 0.00 H new ATOM 216 N PHE A 18 5.276 -7.179 2.440 1.00 0.00 N ATOM 217 CA PHE A 18 4.017 -7.390 3.146 1.00 0.00 C ATOM 218 C PHE A 18 4.181 -8.429 4.252 1.00 0.00 C ATOM 219 O PHE A 18 4.830 -9.457 4.061 1.00 0.00 O ATOM 220 CB PHE A 18 2.928 -7.837 2.168 1.00 0.00 C ATOM 221 CG PHE A 18 2.617 -6.817 1.110 1.00 0.00 C ATOM 222 CD1 PHE A 18 3.308 -6.813 -0.091 1.00 0.00 C ATOM 223 CD2 PHE A 18 1.635 -5.862 1.318 1.00 0.00 C ATOM 224 CE1 PHE A 18 3.024 -5.876 -1.067 1.00 0.00 C ATOM 225 CE2 PHE A 18 1.346 -4.923 0.345 1.00 0.00 C ATOM 226 CZ PHE A 18 2.042 -4.929 -0.848 1.00 0.00 C ATOM 0 H PHE A 18 5.579 -7.970 1.873 1.00 0.00 H new ATOM 0 HA PHE A 18 3.721 -6.445 3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.241 -8.764 1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.018 -8.059 2.726 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.077 -7.550 -0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.089 -5.851 2.250 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.569 -5.884 -1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.576 -4.185 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.819 -4.195 -1.608 1.00 0.00 H new ATOM 236 N GLY A 19 3.589 -8.151 5.409 1.00 0.00 N ATOM 237 CA GLY A 19 3.681 -9.070 6.529 1.00 0.00 C ATOM 238 C GLY A 19 2.381 -9.176 7.301 1.00 0.00 C ATOM 239 O GLY A 19 1.745 -8.167 7.601 1.00 0.00 O ATOM 0 H GLY A 19 3.047 -7.306 5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.964 -10.057 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.473 -8.740 7.201 1.00 0.00 H new ATOM 243 N GLY A 20 1.984 -10.404 7.622 1.00 0.00 N ATOM 244 CA GLY A 20 0.752 -10.616 8.359 1.00 0.00 C ATOM 245 C GLY A 20 -0.293 -11.350 7.542 1.00 0.00 C ATOM 246 O GLY A 20 -1.492 -11.187 7.764 1.00 0.00 O ATOM 0 H GLY A 20 2.494 -11.255 7.385 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.967 -11.185 9.264 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.351 -9.653 8.675 1.00 0.00 H new ATOM 250 N GLY A 21 0.163 -12.162 6.593 1.00 0.00 N ATOM 251 CA GLY A 21 -0.755 -12.911 5.754 1.00 0.00 C ATOM 252 C GLY A 21 -1.052 -12.205 4.446 1.00 0.00 C ATOM 253 O GLY A 21 -1.351 -12.847 3.440 1.00 0.00 O ATOM 0 H GLY A 21 1.151 -12.315 6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.332 -13.894 5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.687 -13.074 6.295 1.00 0.00 H new ATOM 257 N ALA A 22 -0.972 -10.878 4.460 1.00 0.00 N ATOM 258 CA ALA A 22 -1.234 -10.084 3.266 1.00 0.00 C ATOM 259 C ALA A 22 -0.371 -10.549 2.097 1.00 0.00 C ATOM 260 O ALA A 22 -0.772 -10.445 0.939 1.00 0.00 O ATOM 261 CB ALA A 22 -0.993 -8.609 3.549 1.00 0.00 C ATOM 0 H ALA A 22 -0.728 -10.331 5.285 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.279 -10.223 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.193 -8.028 2.648 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.657 -8.279 4.348 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.043 -8.462 3.854 1.00 0.00 H new ATOM 267 N GLU A 23 0.816 -11.059 2.410 1.00 0.00 N ATOM 268 CA GLU A 23 1.735 -11.538 1.385 1.00 0.00 C ATOM 269 C GLU A 23 1.016 -12.443 0.388 1.00 0.00 C ATOM 270 O GLU A 23 1.309 -12.425 -0.808 1.00 0.00 O ATOM 271 CB GLU A 23 2.902 -12.292 2.026 1.00 0.00 C ATOM 272 CG GLU A 23 2.491 -13.591 2.698 1.00 0.00 C ATOM 273 CD GLU A 23 3.383 -13.949 3.870 1.00 0.00 C ATOM 274 OE1 GLU A 23 3.593 -13.081 4.744 1.00 0.00 O ATOM 275 OE2 GLU A 23 3.871 -15.098 3.915 1.00 0.00 O ATOM 0 H GLU A 23 1.163 -11.151 3.365 1.00 0.00 H new ATOM 0 HA GLU A 23 2.123 -10.672 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.648 -12.508 1.261 1.00 0.00 H new ATOM 0 HB3 GLU A 23 3.380 -11.647 2.763 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.460 -13.507 3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.517 -14.398 1.966 1.00 0.00 H new ATOM 282 N LEU A 24 0.074 -13.233 0.890 1.00 0.00 N ATOM 283 CA LEU A 24 -0.688 -14.147 0.045 1.00 0.00 C ATOM 284 C LEU A 24 -1.441 -13.385 -1.040 1.00 0.00 C ATOM 285 O LEU A 24 -1.574 -13.859 -2.169 1.00 0.00 O ATOM 286 CB LEU A 24 -1.671 -14.956 0.893 1.00 0.00 C ATOM 287 CG LEU A 24 -1.053 -15.849 1.969 1.00 0.00 C ATOM 288 CD1 LEU A 24 -2.126 -16.367 2.914 1.00 0.00 C ATOM 289 CD2 LEU A 24 -0.297 -17.006 1.332 1.00 0.00 C ATOM 0 H LEU A 24 -0.181 -13.260 1.877 1.00 0.00 H new ATOM 0 HA LEU A 24 0.013 -14.829 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.359 -14.262 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.265 -15.582 0.227 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.346 -15.253 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.667 -17.001 3.673 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.623 -15.525 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.858 -16.947 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.136 -17.631 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.983 -17.601 0.729 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.498 -16.615 0.697 1.00 0.00 H new ATOM 301 N LEU A 25 -1.931 -12.200 -0.692 1.00 0.00 N ATOM 302 CA LEU A 25 -2.670 -11.370 -1.637 1.00 0.00 C ATOM 303 C LEU A 25 -1.766 -10.903 -2.773 1.00 0.00 C ATOM 304 O LEU A 25 -2.234 -10.327 -3.756 1.00 0.00 O ATOM 305 CB LEU A 25 -3.274 -10.161 -0.920 1.00 0.00 C ATOM 306 CG LEU A 25 -4.601 -10.402 -0.199 1.00 0.00 C ATOM 307 CD1 LEU A 25 -4.844 -9.323 0.845 1.00 0.00 C ATOM 308 CD2 LEU A 25 -5.749 -10.450 -1.197 1.00 0.00 C ATOM 0 H LEU A 25 -1.830 -11.792 0.238 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.474 -11.972 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.549 -9.796 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.420 -9.366 -1.651 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.548 -11.365 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.793 -9.510 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.036 -9.336 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.877 -8.348 0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.685 -10.622 -0.666 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.805 -9.503 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.580 -11.260 -1.907 1.00 0.00 H new ATOM 320 N PHE A 26 -0.469 -11.156 -2.633 1.00 0.00 N ATOM 321 CA PHE A 26 0.500 -10.763 -3.649 1.00 0.00 C ATOM 322 C PHE A 26 1.436 -11.920 -3.984 1.00 0.00 C ATOM 323 O PHE A 26 2.517 -12.046 -3.408 1.00 0.00 O ATOM 324 CB PHE A 26 1.312 -9.558 -3.169 1.00 0.00 C ATOM 325 CG PHE A 26 0.463 -8.408 -2.709 1.00 0.00 C ATOM 326 CD1 PHE A 26 -0.215 -8.469 -1.503 1.00 0.00 C ATOM 327 CD2 PHE A 26 0.343 -7.265 -3.484 1.00 0.00 C ATOM 328 CE1 PHE A 26 -0.997 -7.412 -1.077 1.00 0.00 C ATOM 329 CE2 PHE A 26 -0.437 -6.205 -3.062 1.00 0.00 C ATOM 330 CZ PHE A 26 -1.109 -6.279 -1.858 1.00 0.00 C ATOM 0 H PHE A 26 -0.065 -11.631 -1.826 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.047 -10.489 -4.551 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.961 -9.870 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.959 -9.220 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.132 -9.353 -0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.865 -7.202 -4.428 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.520 -7.472 -0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.521 -5.319 -3.674 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.721 -5.452 -1.528 1.00 0.00 H new ATOM 340 N ASP A 27 1.013 -12.764 -4.919 1.00 0.00 N ATOM 341 CA ASP A 27 1.813 -13.911 -5.333 1.00 0.00 C ATOM 342 C ASP A 27 2.464 -14.582 -4.128 1.00 0.00 C ATOM 343 O ASP A 27 3.506 -15.225 -4.250 1.00 0.00 O ATOM 344 CB ASP A 27 2.886 -13.478 -6.333 1.00 0.00 C ATOM 345 CG ASP A 27 3.297 -14.602 -7.264 1.00 0.00 C ATOM 346 OD1 ASP A 27 3.764 -15.646 -6.763 1.00 0.00 O ATOM 347 OD2 ASP A 27 3.151 -14.437 -8.494 1.00 0.00 O ATOM 0 H ASP A 27 0.120 -12.675 -5.405 1.00 0.00 H new ATOM 0 HA ASP A 27 1.150 -14.631 -5.813 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.513 -12.640 -6.922 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.761 -13.121 -5.790 1.00 0.00 H new ATOM 352 N GLY A 28 1.843 -14.427 -2.962 1.00 0.00 N ATOM 353 CA GLY A 28 2.377 -15.022 -1.752 1.00 0.00 C ATOM 354 C GLY A 28 3.886 -14.905 -1.665 1.00 0.00 C ATOM 355 O GLY A 28 4.602 -15.896 -1.802 1.00 0.00 O ATOM 0 H GLY A 28 0.979 -13.900 -2.835 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.928 -14.539 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.094 -16.074 -1.713 1.00 0.00 H new ATOM 359 N VAL A 29 4.371 -13.688 -1.437 1.00 0.00 N ATOM 360 CA VAL A 29 5.804 -13.444 -1.332 1.00 0.00 C ATOM 361 C VAL A 29 6.105 -12.380 -0.283 1.00 0.00 C ATOM 362 O VAL A 29 5.266 -11.529 0.014 1.00 0.00 O ATOM 363 CB VAL A 29 6.398 -13.000 -2.683 1.00 0.00 C ATOM 364 CG1 VAL A 29 7.882 -12.698 -2.540 1.00 0.00 C ATOM 365 CG2 VAL A 29 6.162 -14.064 -3.744 1.00 0.00 C ATOM 0 H VAL A 29 3.792 -12.856 -1.322 1.00 0.00 H new ATOM 0 HA VAL A 29 6.264 -14.386 -1.033 1.00 0.00 H new ATOM 0 HB VAL A 29 5.894 -12.086 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.284 -12.386 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.022 -11.899 -1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 29 8.404 -13.593 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.588 -13.734 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.638 -14.995 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.091 -14.226 -3.865 1.00 0.00 H new ATOM 375 N LYS A 30 7.309 -12.433 0.277 1.00 0.00 N ATOM 376 CA LYS A 30 7.724 -11.473 1.293 1.00 0.00 C ATOM 377 C LYS A 30 8.124 -10.146 0.656 1.00 0.00 C ATOM 378 O LYS A 30 7.507 -9.111 0.913 1.00 0.00 O ATOM 379 CB LYS A 30 8.893 -12.033 2.106 1.00 0.00 C ATOM 380 CG LYS A 30 8.610 -13.393 2.721 1.00 0.00 C ATOM 381 CD LYS A 30 9.178 -14.518 1.872 1.00 0.00 C ATOM 382 CE LYS A 30 8.322 -15.772 1.964 1.00 0.00 C ATOM 383 NZ LYS A 30 7.052 -15.635 1.198 1.00 0.00 N ATOM 0 H LYS A 30 8.015 -13.131 0.044 1.00 0.00 H new ATOM 0 HA LYS A 30 6.878 -11.297 1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 30 9.769 -12.110 1.462 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.142 -11.329 2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.041 -13.438 3.721 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.534 -13.527 2.831 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.241 -14.195 0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.193 -14.744 2.198 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.885 -16.625 1.584 1.00 0.00 H new ATOM 0 HE3 LYS A 30 8.095 -15.981 3.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 6.340 -16.285 1.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.705 -14.657 1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 7.223 -15.867 0.199 1.00 0.00 H new ATOM 397 N LYS A 31 9.159 -10.182 -0.176 1.00 0.00 N ATOM 398 CA LYS A 31 9.640 -8.982 -0.852 1.00 0.00 C ATOM 399 C LYS A 31 9.175 -8.953 -2.304 1.00 0.00 C ATOM 400 O LYS A 31 9.258 -9.956 -3.014 1.00 0.00 O ATOM 401 CB LYS A 31 11.167 -8.917 -0.793 1.00 0.00 C ATOM 402 CG LYS A 31 11.702 -8.358 0.515 1.00 0.00 C ATOM 403 CD LYS A 31 13.201 -8.120 0.447 1.00 0.00 C ATOM 404 CE LYS A 31 13.718 -7.457 1.715 1.00 0.00 C ATOM 405 NZ LYS A 31 15.063 -6.850 1.515 1.00 0.00 N ATOM 0 H LYS A 31 9.681 -11.029 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 31 9.225 -8.114 -0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.571 -9.918 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.528 -8.301 -1.617 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.194 -7.422 0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.479 -9.051 1.326 1.00 0.00 H new ATOM 0 HD2 LYS A 31 13.715 -9.069 0.296 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.432 -7.492 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.016 -6.687 2.034 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.768 -8.195 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 15.380 -6.409 2.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 15.739 -7.589 1.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.010 -6.128 0.768 1.00 0.00 H new ATOM 419 N HIS A 32 8.686 -7.797 -2.742 1.00 0.00 N ATOM 420 CA HIS A 32 8.210 -7.637 -4.111 1.00 0.00 C ATOM 421 C HIS A 32 8.829 -6.403 -4.761 1.00 0.00 C ATOM 422 O HIS A 32 8.601 -5.278 -4.318 1.00 0.00 O ATOM 423 CB HIS A 32 6.685 -7.529 -4.134 1.00 0.00 C ATOM 424 CG HIS A 32 6.006 -8.420 -3.140 1.00 0.00 C ATOM 425 ND1 HIS A 32 5.252 -9.516 -3.503 1.00 0.00 N ATOM 426 CD2 HIS A 32 5.972 -8.374 -1.787 1.00 0.00 C ATOM 427 CE1 HIS A 32 4.782 -10.104 -2.418 1.00 0.00 C ATOM 428 NE2 HIS A 32 5.206 -9.431 -1.363 1.00 0.00 N ATOM 0 H HIS A 32 8.609 -6.957 -2.168 1.00 0.00 H new ATOM 0 HA HIS A 32 8.513 -8.516 -4.680 1.00 0.00 H new ATOM 0 HB2 HIS A 32 6.399 -6.496 -3.938 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.327 -7.774 -5.134 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.457 -7.642 -1.159 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.157 -10.985 -2.397 1.00 0.00 H new ATOM 0 HE2 HIS A 32 4.998 -9.660 -0.391 1.00 0.00 H new ATOM 437 N GLN A 33 9.612 -6.624 -5.812 1.00 0.00 N ATOM 438 CA GLN A 33 10.265 -5.530 -6.521 1.00 0.00 C ATOM 439 C GLN A 33 9.280 -4.811 -7.437 1.00 0.00 C ATOM 440 O GLN A 33 8.668 -5.425 -8.311 1.00 0.00 O ATOM 441 CB GLN A 33 11.448 -6.055 -7.335 1.00 0.00 C ATOM 442 CG GLN A 33 12.292 -4.957 -7.960 1.00 0.00 C ATOM 443 CD GLN A 33 13.228 -4.301 -6.964 1.00 0.00 C ATOM 444 OE1 GLN A 33 13.441 -4.813 -5.864 1.00 0.00 O ATOM 445 NE2 GLN A 33 13.792 -3.161 -7.343 1.00 0.00 N ATOM 0 H GLN A 33 9.809 -7.550 -6.191 1.00 0.00 H new ATOM 0 HA GLN A 33 10.631 -4.818 -5.781 1.00 0.00 H new ATOM 0 HB2 GLN A 33 12.080 -6.665 -6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.074 -6.708 -8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 33 12.876 -5.375 -8.780 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.636 -4.200 -8.389 1.00 0.00 H new ATOM 0 HE21 GLN A 33 13.588 -2.772 -8.264 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.430 -2.674 -6.714 1.00 0.00 H new ATOM 454 N VAL A 34 9.133 -3.506 -7.232 1.00 0.00 N ATOM 455 CA VAL A 34 8.223 -2.703 -8.041 1.00 0.00 C ATOM 456 C VAL A 34 8.984 -1.664 -8.856 1.00 0.00 C ATOM 457 O VAL A 34 9.990 -1.120 -8.403 1.00 0.00 O ATOM 458 CB VAL A 34 7.177 -1.988 -7.166 1.00 0.00 C ATOM 459 CG1 VAL A 34 6.190 -1.221 -8.033 1.00 0.00 C ATOM 460 CG2 VAL A 34 6.454 -2.987 -6.276 1.00 0.00 C ATOM 0 H VAL A 34 9.632 -2.982 -6.513 1.00 0.00 H new ATOM 0 HA VAL A 34 7.712 -3.388 -8.718 1.00 0.00 H new ATOM 0 HB VAL A 34 7.693 -1.273 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.458 -0.722 -7.397 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.725 -0.477 -8.623 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.678 -1.914 -8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.719 -2.464 -5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.949 -3.728 -6.896 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.175 -3.486 -5.629 1.00 0.00 H new ATOM 470 N ALA A 35 8.496 -1.393 -10.063 1.00 0.00 N ATOM 471 CA ALA A 35 9.129 -0.417 -10.941 1.00 0.00 C ATOM 472 C ALA A 35 8.095 0.524 -11.551 1.00 0.00 C ATOM 473 O ALA A 35 7.469 0.203 -12.562 1.00 0.00 O ATOM 474 CB ALA A 35 9.914 -1.123 -12.036 1.00 0.00 C ATOM 0 H ALA A 35 7.665 -1.836 -10.454 1.00 0.00 H new ATOM 0 HA ALA A 35 9.818 0.180 -10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.381 -0.382 -12.684 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.685 -1.749 -11.586 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.239 -1.745 -12.624 1.00 0.00 H new ATOM 480 N LEU A 36 7.921 1.685 -10.931 1.00 0.00 N ATOM 481 CA LEU A 36 6.962 2.673 -11.412 1.00 0.00 C ATOM 482 C LEU A 36 7.494 3.392 -12.648 1.00 0.00 C ATOM 483 O LEU A 36 8.694 3.630 -12.789 1.00 0.00 O ATOM 484 CB LEU A 36 6.650 3.690 -10.312 1.00 0.00 C ATOM 485 CG LEU A 36 6.441 3.118 -8.910 1.00 0.00 C ATOM 486 CD1 LEU A 36 6.764 4.163 -7.853 1.00 0.00 C ATOM 487 CD2 LEU A 36 5.014 2.615 -8.747 1.00 0.00 C ATOM 0 H LEU A 36 8.431 1.966 -10.094 1.00 0.00 H new ATOM 0 HA LEU A 36 6.046 2.149 -11.684 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.466 4.412 -10.270 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.752 4.239 -10.596 1.00 0.00 H new ATOM 0 HG LEU A 36 7.120 2.275 -8.777 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.609 3.737 -6.861 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.803 4.475 -7.956 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.111 5.026 -7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.883 2.211 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.318 3.440 -8.900 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.818 1.833 -9.481 1.00 0.00 H new ATOM 499 N PRO A 37 6.582 3.748 -13.565 1.00 0.00 N ATOM 500 CA PRO A 37 6.936 4.447 -14.804 1.00 0.00 C ATOM 501 C PRO A 37 7.386 5.882 -14.552 1.00 0.00 C ATOM 502 O PRO A 37 7.258 6.397 -13.442 1.00 0.00 O ATOM 503 CB PRO A 37 5.633 4.428 -15.607 1.00 0.00 C ATOM 504 CG PRO A 37 4.558 4.318 -14.581 1.00 0.00 C ATOM 505 CD PRO A 37 5.135 3.495 -13.463 1.00 0.00 C ATOM 0 HA PRO A 37 7.774 3.972 -15.314 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.521 5.334 -16.202 1.00 0.00 H new ATOM 0 HB3 PRO A 37 5.607 3.587 -16.300 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.256 5.303 -14.225 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.669 3.843 -14.996 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.741 3.801 -12.494 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.903 2.437 -13.582 1.00 0.00 H new ATOM 513 N GLY A 38 7.914 6.523 -15.590 1.00 0.00 N ATOM 514 CA GLY A 38 8.374 7.893 -15.460 1.00 0.00 C ATOM 515 C GLY A 38 7.406 8.890 -16.065 1.00 0.00 C ATOM 516 O GLY A 38 6.865 8.660 -17.146 1.00 0.00 O ATOM 0 H GLY A 38 8.031 6.118 -16.519 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.518 8.126 -14.405 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.345 7.994 -15.945 1.00 0.00 H new ATOM 520 N GLN A 39 7.187 9.999 -15.366 1.00 0.00 N ATOM 521 CA GLN A 39 6.275 11.033 -15.841 1.00 0.00 C ATOM 522 C GLN A 39 6.656 12.397 -15.275 1.00 0.00 C ATOM 523 O GLN A 39 7.606 12.514 -14.501 1.00 0.00 O ATOM 524 CB GLN A 39 4.836 10.691 -15.453 1.00 0.00 C ATOM 525 CG GLN A 39 4.719 9.979 -14.115 1.00 0.00 C ATOM 526 CD GLN A 39 3.280 9.790 -13.678 1.00 0.00 C ATOM 527 OE1 GLN A 39 2.361 9.815 -14.497 1.00 0.00 O ATOM 528 NE2 GLN A 39 3.075 9.599 -12.379 1.00 0.00 N ATOM 0 H GLN A 39 7.628 10.205 -14.470 1.00 0.00 H new ATOM 0 HA GLN A 39 6.350 11.077 -16.928 1.00 0.00 H new ATOM 0 HB2 GLN A 39 4.250 11.609 -15.419 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.399 10.063 -16.229 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.205 9.006 -14.182 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.253 10.550 -13.356 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.865 9.585 -11.735 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.127 9.466 -12.026 1.00 0.00 H new ATOM 537 N GLU A 40 5.910 13.425 -15.667 1.00 0.00 N ATOM 538 CA GLU A 40 6.172 14.781 -15.199 1.00 0.00 C ATOM 539 C GLU A 40 6.008 14.874 -13.684 1.00 0.00 C ATOM 540 O GLU A 40 6.782 15.550 -13.007 1.00 0.00 O ATOM 541 CB GLU A 40 5.231 15.772 -15.887 1.00 0.00 C ATOM 542 CG GLU A 40 3.788 15.663 -15.425 1.00 0.00 C ATOM 543 CD GLU A 40 2.901 16.738 -16.022 1.00 0.00 C ATOM 544 OE1 GLU A 40 2.627 16.673 -17.239 1.00 0.00 O ATOM 545 OE2 GLU A 40 2.481 17.645 -15.273 1.00 0.00 O ATOM 0 H GLU A 40 5.120 13.345 -16.307 1.00 0.00 H new ATOM 0 HA GLU A 40 7.202 15.034 -15.452 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.587 16.786 -15.703 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.272 15.611 -16.964 1.00 0.00 H new ATOM 0 HG2 GLU A 40 3.397 14.682 -15.696 1.00 0.00 H new ATOM 0 HG3 GLU A 40 3.753 15.731 -14.338 1.00 0.00 H new ATOM 552 N GLU A 41 4.994 14.192 -13.161 1.00 0.00 N ATOM 553 CA GLU A 41 4.728 14.200 -11.728 1.00 0.00 C ATOM 554 C GLU A 41 5.330 12.969 -11.056 1.00 0.00 C ATOM 555 O GLU A 41 5.307 11.863 -11.595 1.00 0.00 O ATOM 556 CB GLU A 41 3.221 14.250 -11.466 1.00 0.00 C ATOM 557 CG GLU A 41 2.458 13.088 -12.078 1.00 0.00 C ATOM 558 CD GLU A 41 1.994 13.374 -13.493 1.00 0.00 C ATOM 559 OE1 GLU A 41 0.893 13.939 -13.654 1.00 0.00 O ATOM 560 OE2 GLU A 41 2.734 13.033 -14.440 1.00 0.00 O ATOM 0 H GLU A 41 4.344 13.628 -13.708 1.00 0.00 H new ATOM 0 HA GLU A 41 5.193 15.090 -11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.048 14.261 -10.390 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.823 15.184 -11.862 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.093 12.202 -12.080 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.593 12.858 -11.456 1.00 0.00 H new ATOM 567 N PRO A 42 5.884 13.166 -9.850 1.00 0.00 N ATOM 568 CA PRO A 42 6.503 12.085 -9.077 1.00 0.00 C ATOM 569 C PRO A 42 5.478 11.086 -8.553 1.00 0.00 C ATOM 570 O PRO A 42 4.334 11.445 -8.273 1.00 0.00 O ATOM 571 CB PRO A 42 7.177 12.820 -7.916 1.00 0.00 C ATOM 572 CG PRO A 42 6.399 14.081 -7.763 1.00 0.00 C ATOM 573 CD PRO A 42 5.947 14.458 -9.147 1.00 0.00 C ATOM 0 HA PRO A 42 7.191 11.494 -9.682 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.151 12.226 -7.003 1.00 0.00 H new ATOM 0 HB3 PRO A 42 8.225 13.025 -8.133 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.546 13.936 -7.100 1.00 0.00 H new ATOM 0 HG3 PRO A 42 7.013 14.868 -7.325 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.977 14.954 -9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.647 15.142 -9.626 1.00 0.00 H new ATOM 581 N TRP A 43 5.894 9.832 -8.421 1.00 0.00 N ATOM 582 CA TRP A 43 5.011 8.781 -7.928 1.00 0.00 C ATOM 583 C TRP A 43 4.819 8.894 -6.420 1.00 0.00 C ATOM 584 O TRP A 43 5.735 8.616 -5.646 1.00 0.00 O ATOM 585 CB TRP A 43 5.576 7.404 -8.281 1.00 0.00 C ATOM 586 CG TRP A 43 5.107 6.892 -9.610 1.00 0.00 C ATOM 587 CD1 TRP A 43 5.723 7.061 -10.817 1.00 0.00 C ATOM 588 CD2 TRP A 43 3.922 6.130 -9.864 1.00 0.00 C ATOM 589 NE1 TRP A 43 4.992 6.449 -11.807 1.00 0.00 N ATOM 590 CE2 TRP A 43 3.883 5.871 -11.248 1.00 0.00 C ATOM 591 CE3 TRP A 43 2.891 5.640 -9.058 1.00 0.00 C ATOM 592 CZ2 TRP A 43 2.853 5.144 -11.840 1.00 0.00 C ATOM 593 CZ3 TRP A 43 1.870 4.920 -9.647 1.00 0.00 C ATOM 594 CH2 TRP A 43 1.857 4.677 -11.027 1.00 0.00 C ATOM 0 H TRP A 43 6.837 9.518 -8.648 1.00 0.00 H new ATOM 0 HA TRP A 43 4.040 8.902 -8.409 1.00 0.00 H new ATOM 0 HB2 TRP A 43 6.665 7.456 -8.283 1.00 0.00 H new ATOM 0 HB3 TRP A 43 5.292 6.693 -7.505 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.648 7.597 -10.971 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.236 6.429 -12.797 1.00 0.00 H new ATOM 0 HE3 TRP A 43 2.892 5.821 -7.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.841 4.956 -12.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.068 4.538 -9.033 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.045 4.110 -11.457 1.00 0.00 H new ATOM 605 N ASP A 44 3.623 9.302 -6.010 1.00 0.00 N ATOM 606 CA ASP A 44 3.310 9.450 -4.593 1.00 0.00 C ATOM 607 C ASP A 44 2.495 8.263 -4.089 1.00 0.00 C ATOM 608 O ASP A 44 1.824 7.584 -4.867 1.00 0.00 O ATOM 609 CB ASP A 44 2.543 10.751 -4.351 1.00 0.00 C ATOM 610 CG ASP A 44 3.043 11.888 -5.220 1.00 0.00 C ATOM 611 OD1 ASP A 44 4.257 11.925 -5.507 1.00 0.00 O ATOM 612 OD2 ASP A 44 2.219 12.741 -5.614 1.00 0.00 O ATOM 0 H ASP A 44 2.854 9.536 -6.638 1.00 0.00 H new ATOM 0 HA ASP A 44 4.249 9.483 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.483 10.587 -4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.633 11.033 -3.302 1.00 0.00 H new ATOM 617 N ILE A 45 2.561 8.017 -2.785 1.00 0.00 N ATOM 618 CA ILE A 45 1.829 6.912 -2.179 1.00 0.00 C ATOM 619 C ILE A 45 0.455 6.745 -2.819 1.00 0.00 C ATOM 620 O ILE A 45 0.065 5.640 -3.196 1.00 0.00 O ATOM 621 CB ILE A 45 1.654 7.118 -0.662 1.00 0.00 C ATOM 622 CG1 ILE A 45 3.019 7.196 0.024 1.00 0.00 C ATOM 623 CG2 ILE A 45 0.820 5.993 -0.068 1.00 0.00 C ATOM 624 CD1 ILE A 45 3.792 5.897 -0.017 1.00 0.00 C ATOM 0 H ILE A 45 3.114 8.568 -2.128 1.00 0.00 H new ATOM 0 HA ILE A 45 2.419 6.011 -2.350 1.00 0.00 H new ATOM 0 HB ILE A 45 1.130 8.059 -0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.612 7.977 -0.452 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.878 7.492 1.063 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.705 6.152 1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.162 5.980 -0.540 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.319 5.040 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.749 6.027 0.488 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.220 5.117 0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.965 5.609 -1.054 1.00 0.00 H new ATOM 636 N ARG A 46 -0.273 7.850 -2.942 1.00 0.00 N ATOM 637 CA ARG A 46 -1.603 7.827 -3.538 1.00 0.00 C ATOM 638 C ARG A 46 -1.614 6.982 -4.809 1.00 0.00 C ATOM 639 O ARG A 46 -2.198 5.900 -4.842 1.00 0.00 O ATOM 640 CB ARG A 46 -2.069 9.249 -3.853 1.00 0.00 C ATOM 641 CG ARG A 46 -3.532 9.335 -4.259 1.00 0.00 C ATOM 642 CD ARG A 46 -3.893 10.728 -4.750 1.00 0.00 C ATOM 643 NE ARG A 46 -3.560 11.757 -3.769 1.00 0.00 N ATOM 644 CZ ARG A 46 -4.001 13.009 -3.838 1.00 0.00 C ATOM 645 NH1 ARG A 46 -4.788 13.383 -4.837 1.00 0.00 N ATOM 646 NH2 ARG A 46 -3.655 13.888 -2.907 1.00 0.00 N ATOM 0 H ARG A 46 0.036 8.773 -2.637 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.289 7.379 -2.819 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.906 9.878 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.453 9.655 -4.656 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -3.736 8.607 -5.044 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.162 9.073 -3.409 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.366 10.932 -5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.960 10.769 -4.971 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.956 11.501 -2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.056 12.710 -5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.125 14.344 -4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.050 13.604 -2.137 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -3.994 14.848 -2.961 1.00 0.00 H new ATOM 660 N ASN A 47 -0.966 7.487 -5.854 1.00 0.00 N ATOM 661 CA ASN A 47 -0.902 6.779 -7.128 1.00 0.00 C ATOM 662 C ASN A 47 -0.341 5.373 -6.942 1.00 0.00 C ATOM 663 O ASN A 47 -0.856 4.407 -7.507 1.00 0.00 O ATOM 664 CB ASN A 47 -0.039 7.557 -8.123 1.00 0.00 C ATOM 665 CG ASN A 47 -0.814 8.653 -8.828 1.00 0.00 C ATOM 666 OD1 ASN A 47 -1.157 8.529 -10.004 1.00 0.00 O ATOM 667 ND2 ASN A 47 -1.095 9.734 -8.110 1.00 0.00 N ATOM 0 H ASN A 47 -0.478 8.383 -5.844 1.00 0.00 H new ATOM 0 HA ASN A 47 -1.915 6.697 -7.521 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.809 7.996 -7.598 1.00 0.00 H new ATOM 0 HB3 ASN A 47 0.366 6.868 -8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.615 10.504 -8.530 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.791 9.794 -7.138 1.00 0.00 H new ATOM 674 N LEU A 48 0.716 5.264 -6.145 1.00 0.00 N ATOM 675 CA LEU A 48 1.347 3.975 -5.883 1.00 0.00 C ATOM 676 C LEU A 48 0.302 2.911 -5.565 1.00 0.00 C ATOM 677 O LEU A 48 0.277 1.846 -6.183 1.00 0.00 O ATOM 678 CB LEU A 48 2.337 4.096 -4.723 1.00 0.00 C ATOM 679 CG LEU A 48 3.106 2.825 -4.361 1.00 0.00 C ATOM 680 CD1 LEU A 48 4.377 2.716 -5.188 1.00 0.00 C ATOM 681 CD2 LEU A 48 3.431 2.803 -2.874 1.00 0.00 C ATOM 0 H LEU A 48 1.154 6.052 -5.669 1.00 0.00 H new ATOM 0 HA LEU A 48 1.884 3.673 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.058 4.876 -4.967 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.792 4.431 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 48 2.475 1.965 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.911 1.805 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.120 2.684 -6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.012 3.580 -4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.978 1.891 -2.635 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.042 3.670 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.506 2.832 -2.299 1.00 0.00 H new ATOM 693 N LEU A 49 -0.562 3.208 -4.600 1.00 0.00 N ATOM 694 CA LEU A 49 -1.613 2.277 -4.202 1.00 0.00 C ATOM 695 C LEU A 49 -2.314 1.692 -5.423 1.00 0.00 C ATOM 696 O LEU A 49 -2.328 0.476 -5.621 1.00 0.00 O ATOM 697 CB LEU A 49 -2.632 2.982 -3.305 1.00 0.00 C ATOM 698 CG LEU A 49 -2.354 2.927 -1.802 1.00 0.00 C ATOM 699 CD1 LEU A 49 -2.207 1.486 -1.339 1.00 0.00 C ATOM 700 CD2 LEU A 49 -1.106 3.729 -1.460 1.00 0.00 C ATOM 0 H LEU A 49 -0.556 4.085 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.150 1.461 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.689 4.028 -3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.613 2.544 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.201 3.371 -1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.010 1.467 -0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.127 0.941 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.378 1.016 -1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.924 3.678 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.250 3.315 -1.993 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.249 4.768 -1.755 1.00 0.00 H new ATOM 712 N VAL A 50 -2.892 2.564 -6.243 1.00 0.00 N ATOM 713 CA VAL A 50 -3.592 2.134 -7.447 1.00 0.00 C ATOM 714 C VAL A 50 -2.811 1.048 -8.178 1.00 0.00 C ATOM 715 O VAL A 50 -3.392 0.095 -8.699 1.00 0.00 O ATOM 716 CB VAL A 50 -3.832 3.313 -8.408 1.00 0.00 C ATOM 717 CG1 VAL A 50 -4.555 2.843 -9.661 1.00 0.00 C ATOM 718 CG2 VAL A 50 -4.615 4.416 -7.713 1.00 0.00 C ATOM 0 H VAL A 50 -2.889 3.573 -6.095 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.554 1.734 -7.128 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.865 3.718 -8.706 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.716 3.690 -10.328 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.951 2.091 -10.169 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.517 2.411 -9.385 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.775 5.241 -8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.578 4.026 -7.384 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.053 4.772 -6.849 1.00 0.00 H new ATOM 728 N TRP A 51 -1.492 1.197 -8.212 1.00 0.00 N ATOM 729 CA TRP A 51 -0.630 0.227 -8.879 1.00 0.00 C ATOM 730 C TRP A 51 -0.520 -1.056 -8.063 1.00 0.00 C ATOM 731 O TRP A 51 -0.924 -2.127 -8.517 1.00 0.00 O ATOM 732 CB TRP A 51 0.761 0.822 -9.107 1.00 0.00 C ATOM 733 CG TRP A 51 1.622 -0.009 -10.010 1.00 0.00 C ATOM 734 CD1 TRP A 51 1.825 0.177 -11.347 1.00 0.00 C ATOM 735 CD2 TRP A 51 2.393 -1.157 -9.641 1.00 0.00 C ATOM 736 NE1 TRP A 51 2.676 -0.786 -11.832 1.00 0.00 N ATOM 737 CE2 TRP A 51 3.039 -1.616 -10.805 1.00 0.00 C ATOM 738 CE3 TRP A 51 2.602 -1.841 -8.440 1.00 0.00 C ATOM 739 CZ2 TRP A 51 3.878 -2.728 -10.801 1.00 0.00 C ATOM 740 CZ3 TRP A 51 3.435 -2.944 -8.438 1.00 0.00 C ATOM 741 CH2 TRP A 51 4.065 -3.378 -9.611 1.00 0.00 C ATOM 0 H TRP A 51 -0.996 1.980 -7.786 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.077 -0.016 -9.843 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.656 1.820 -9.534 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.261 0.938 -8.145 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.382 0.966 -11.937 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.987 -0.869 -12.800 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.121 -1.514 -7.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.364 -3.065 -11.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.603 -3.480 -7.516 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.711 -4.243 -9.576 1.00 0.00 H new ATOM 752 N ILE A 52 0.027 -0.941 -6.858 1.00 0.00 N ATOM 753 CA ILE A 52 0.188 -2.092 -5.979 1.00 0.00 C ATOM 754 C ILE A 52 -1.156 -2.753 -5.687 1.00 0.00 C ATOM 755 O ILE A 52 -1.212 -3.883 -5.201 1.00 0.00 O ATOM 756 CB ILE A 52 0.852 -1.696 -4.647 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.308 -1.288 -4.880 1.00 0.00 C ATOM 758 CG2 ILE A 52 0.770 -2.844 -3.652 1.00 0.00 C ATOM 759 CD1 ILE A 52 2.924 -0.552 -3.711 1.00 0.00 C ATOM 0 H ILE A 52 0.366 -0.062 -6.468 1.00 0.00 H new ATOM 0 HA ILE A 52 0.833 -2.799 -6.501 1.00 0.00 H new ATOM 0 HB ILE A 52 0.317 -0.842 -4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.898 -2.181 -5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.362 -0.656 -5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.244 -2.549 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.275 -3.092 -3.468 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.283 -3.715 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 52 3.956 -0.294 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.358 0.359 -3.515 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.902 -1.190 -2.827 1.00 0.00 H new ATOM 771 N LYS A 53 -2.236 -2.041 -5.988 1.00 0.00 N ATOM 772 CA LYS A 53 -3.581 -2.557 -5.762 1.00 0.00 C ATOM 773 C LYS A 53 -4.078 -3.331 -6.978 1.00 0.00 C ATOM 774 O LYS A 53 -5.056 -4.075 -6.897 1.00 0.00 O ATOM 775 CB LYS A 53 -4.544 -1.411 -5.445 1.00 0.00 C ATOM 776 CG LYS A 53 -4.517 -0.979 -3.989 1.00 0.00 C ATOM 777 CD LYS A 53 -5.260 0.330 -3.782 1.00 0.00 C ATOM 778 CE LYS A 53 -6.767 0.131 -3.842 1.00 0.00 C ATOM 779 NZ LYS A 53 -7.475 1.372 -4.263 1.00 0.00 N ATOM 0 H LYS A 53 -2.206 -1.104 -6.390 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.543 -3.237 -4.911 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.297 -0.556 -6.074 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.557 -1.716 -5.706 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.966 -1.755 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.484 -0.868 -3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.986 0.756 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.956 1.047 -4.545 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.999 -0.674 -4.539 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.131 -0.180 -2.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.477 1.310 -3.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.040 2.195 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.404 1.479 -5.295 1.00 0.00 H new ATOM 793 N LYS A 54 -3.398 -3.153 -8.106 1.00 0.00 N ATOM 794 CA LYS A 54 -3.769 -3.836 -9.340 1.00 0.00 C ATOM 795 C LYS A 54 -2.602 -4.659 -9.877 1.00 0.00 C ATOM 796 O LYS A 54 -2.675 -5.886 -9.943 1.00 0.00 O ATOM 797 CB LYS A 54 -4.219 -2.822 -10.393 1.00 0.00 C ATOM 798 CG LYS A 54 -5.499 -2.090 -10.026 1.00 0.00 C ATOM 799 CD LYS A 54 -6.280 -1.679 -11.262 1.00 0.00 C ATOM 800 CE LYS A 54 -7.534 -0.900 -10.895 1.00 0.00 C ATOM 801 NZ LYS A 54 -8.103 -0.179 -12.067 1.00 0.00 N ATOM 0 H LYS A 54 -2.586 -2.541 -8.191 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.596 -4.511 -9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.424 -2.092 -10.545 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.365 -3.337 -11.342 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.119 -2.731 -9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.257 -1.206 -9.437 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.648 -1.069 -11.907 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.555 -2.567 -11.832 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.281 -1.584 -10.492 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.299 -0.184 -10.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.956 0.339 -11.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.400 0.492 -12.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.351 -0.864 -12.809 1.00 0.00 H new ATOM 815 N ASN A 55 -1.528 -3.976 -10.258 1.00 0.00 N ATOM 816 CA ASN A 55 -0.345 -4.645 -10.788 1.00 0.00 C ATOM 817 C ASN A 55 0.126 -5.747 -9.844 1.00 0.00 C ATOM 818 O ASN A 55 0.136 -6.925 -10.203 1.00 0.00 O ATOM 819 CB ASN A 55 0.781 -3.634 -11.012 1.00 0.00 C ATOM 820 CG ASN A 55 0.708 -2.981 -12.379 1.00 0.00 C ATOM 821 OD1 ASN A 55 1.255 -3.496 -13.355 1.00 0.00 O ATOM 822 ND2 ASN A 55 0.031 -1.842 -12.456 1.00 0.00 N ATOM 0 H ASN A 55 -1.452 -2.960 -10.210 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.612 -5.099 -11.742 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.733 -2.864 -10.242 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.743 -4.135 -10.903 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.052 -1.357 -13.350 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.406 -1.451 -11.621 1.00 0.00 H new ATOM 829 N LEU A 56 0.515 -5.356 -8.636 1.00 0.00 N ATOM 830 CA LEU A 56 0.987 -6.311 -7.638 1.00 0.00 C ATOM 831 C LEU A 56 -0.169 -7.140 -7.088 1.00 0.00 C ATOM 832 O LEU A 56 -0.164 -8.368 -7.179 1.00 0.00 O ATOM 833 CB LEU A 56 1.693 -5.577 -6.496 1.00 0.00 C ATOM 834 CG LEU A 56 2.809 -6.349 -5.791 1.00 0.00 C ATOM 835 CD1 LEU A 56 4.052 -6.407 -6.666 1.00 0.00 C ATOM 836 CD2 LEU A 56 3.130 -5.713 -4.447 1.00 0.00 C ATOM 0 H LEU A 56 0.513 -4.385 -8.323 1.00 0.00 H new ATOM 0 HA LEU A 56 1.695 -6.985 -8.121 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.112 -4.651 -6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.946 -5.298 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 56 2.465 -7.368 -5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.836 -6.960 -6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.813 -6.908 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.399 -5.395 -6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.926 -6.275 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.454 -4.683 -4.600 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.240 -5.724 -3.818 1.00 0.00 H new ATOM 848 N LEU A 57 -1.159 -6.461 -6.520 1.00 0.00 N ATOM 849 CA LEU A 57 -2.324 -7.135 -5.957 1.00 0.00 C ATOM 850 C LEU A 57 -3.204 -7.714 -7.060 1.00 0.00 C ATOM 851 O LEU A 57 -3.614 -7.005 -7.979 1.00 0.00 O ATOM 852 CB LEU A 57 -3.135 -6.162 -5.099 1.00 0.00 C ATOM 853 CG LEU A 57 -4.418 -6.721 -4.482 1.00 0.00 C ATOM 854 CD1 LEU A 57 -4.095 -7.619 -3.298 1.00 0.00 C ATOM 855 CD2 LEU A 57 -5.343 -5.589 -4.059 1.00 0.00 C ATOM 0 H LEU A 57 -1.179 -5.445 -6.437 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.972 -7.955 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.496 -5.800 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.396 -5.299 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.930 -7.320 -5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.020 -8.007 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.472 -8.450 -3.630 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.560 -7.045 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -6.251 -6.005 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.839 -4.964 -3.322 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.602 -4.986 -4.930 1.00 0.00 H new ATOM 867 N LYS A 58 -3.493 -9.007 -6.961 1.00 0.00 N ATOM 868 CA LYS A 58 -4.327 -9.683 -7.948 1.00 0.00 C ATOM 869 C LYS A 58 -5.723 -9.945 -7.392 1.00 0.00 C ATOM 870 O LYS A 58 -6.695 -10.023 -8.142 1.00 0.00 O ATOM 871 CB LYS A 58 -3.681 -11.002 -8.375 1.00 0.00 C ATOM 872 CG LYS A 58 -2.502 -10.826 -9.316 1.00 0.00 C ATOM 873 CD LYS A 58 -2.952 -10.758 -10.766 1.00 0.00 C ATOM 874 CE LYS A 58 -3.550 -9.401 -11.102 1.00 0.00 C ATOM 875 NZ LYS A 58 -3.416 -9.079 -12.550 1.00 0.00 N ATOM 0 H LYS A 58 -3.162 -9.608 -6.207 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.417 -9.032 -8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.349 -11.538 -7.486 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.433 -11.624 -8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.962 -9.915 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.806 -11.655 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.103 -10.955 -11.421 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.689 -11.538 -10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -4.604 -9.389 -10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.056 -8.630 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.836 -8.146 -12.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.409 -9.065 -12.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.909 -9.801 -13.113 1.00 0.00 H new ATOM 889 N GLU A 59 -5.815 -10.077 -6.072 1.00 0.00 N ATOM 890 CA GLU A 59 -7.093 -10.330 -5.417 1.00 0.00 C ATOM 891 C GLU A 59 -7.888 -9.037 -5.259 1.00 0.00 C ATOM 892 O GLU A 59 -7.448 -7.969 -5.686 1.00 0.00 O ATOM 893 CB GLU A 59 -6.871 -10.975 -4.048 1.00 0.00 C ATOM 894 CG GLU A 59 -6.636 -12.475 -4.112 1.00 0.00 C ATOM 895 CD GLU A 59 -7.754 -13.210 -4.826 1.00 0.00 C ATOM 896 OE1 GLU A 59 -7.664 -13.374 -6.060 1.00 0.00 O ATOM 897 OE2 GLU A 59 -8.719 -13.622 -4.148 1.00 0.00 O ATOM 0 H GLU A 59 -5.020 -10.013 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.665 -11.014 -6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.015 -10.502 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.739 -10.778 -3.418 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.693 -12.670 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.537 -12.867 -3.100 1.00 0.00 H new ATOM 904 N ARG A 60 -9.061 -9.142 -4.644 1.00 0.00 N ATOM 905 CA ARG A 60 -9.919 -7.982 -4.431 1.00 0.00 C ATOM 906 C ARG A 60 -9.225 -6.948 -3.549 1.00 0.00 C ATOM 907 O ARG A 60 -8.657 -7.267 -2.504 1.00 0.00 O ATOM 908 CB ARG A 60 -11.241 -8.410 -3.790 1.00 0.00 C ATOM 909 CG ARG A 60 -12.343 -8.690 -4.798 1.00 0.00 C ATOM 910 CD ARG A 60 -11.776 -9.159 -6.129 1.00 0.00 C ATOM 911 NE ARG A 60 -12.739 -9.955 -6.884 1.00 0.00 N ATOM 912 CZ ARG A 60 -12.983 -11.238 -6.643 1.00 0.00 C ATOM 913 NH1 ARG A 60 -12.337 -11.868 -5.671 1.00 0.00 N ATOM 914 NH2 ARG A 60 -13.875 -11.895 -7.374 1.00 0.00 N ATOM 0 H ARG A 60 -9.439 -10.018 -4.284 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.123 -7.529 -5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.072 -9.305 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.574 -7.628 -3.108 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.016 -9.449 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.935 -7.788 -4.951 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.478 -8.294 -6.721 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.877 -9.750 -5.952 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.253 -9.500 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -11.651 -11.367 -5.106 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -12.526 -12.853 -5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -14.374 -11.415 -8.122 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.061 -12.880 -7.187 1.00 0.00 H new ATOM 928 N PRO A 61 -9.271 -5.678 -3.979 1.00 0.00 N ATOM 929 CA PRO A 61 -8.652 -4.571 -3.243 1.00 0.00 C ATOM 930 C PRO A 61 -9.383 -4.260 -1.941 1.00 0.00 C ATOM 931 O PRO A 61 -8.767 -4.178 -0.879 1.00 0.00 O ATOM 932 CB PRO A 61 -8.765 -3.393 -4.214 1.00 0.00 C ATOM 933 CG PRO A 61 -9.930 -3.727 -5.081 1.00 0.00 C ATOM 934 CD PRO A 61 -9.930 -5.225 -5.215 1.00 0.00 C ATOM 0 HA PRO A 61 -7.629 -4.800 -2.946 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.924 -2.455 -3.682 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.855 -3.276 -4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.861 -3.375 -4.637 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.841 -3.248 -6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.942 -5.621 -5.299 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.386 -5.549 -6.102 1.00 0.00 H new ATOM 942 N GLU A 62 -10.698 -4.088 -2.032 1.00 0.00 N ATOM 943 CA GLU A 62 -11.511 -3.786 -0.860 1.00 0.00 C ATOM 944 C GLU A 62 -11.108 -4.662 0.322 1.00 0.00 C ATOM 945 O GLU A 62 -11.230 -4.258 1.479 1.00 0.00 O ATOM 946 CB GLU A 62 -12.995 -3.987 -1.176 1.00 0.00 C ATOM 947 CG GLU A 62 -13.309 -5.342 -1.787 1.00 0.00 C ATOM 948 CD GLU A 62 -14.508 -5.300 -2.714 1.00 0.00 C ATOM 949 OE1 GLU A 62 -14.735 -4.245 -3.342 1.00 0.00 O ATOM 950 OE2 GLU A 62 -15.220 -6.322 -2.810 1.00 0.00 O ATOM 0 H GLU A 62 -11.223 -4.153 -2.904 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.342 -2.743 -0.591 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -13.572 -3.869 -0.259 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.321 -3.205 -1.861 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.439 -5.697 -2.340 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.496 -6.061 -0.990 1.00 0.00 H new ATOM 957 N LEU A 63 -10.627 -5.864 0.024 1.00 0.00 N ATOM 958 CA LEU A 63 -10.205 -6.799 1.061 1.00 0.00 C ATOM 959 C LEU A 63 -8.908 -6.337 1.716 1.00 0.00 C ATOM 960 O LEU A 63 -8.818 -6.238 2.940 1.00 0.00 O ATOM 961 CB LEU A 63 -10.022 -8.198 0.471 1.00 0.00 C ATOM 962 CG LEU A 63 -11.263 -9.092 0.466 1.00 0.00 C ATOM 963 CD1 LEU A 63 -12.489 -8.301 0.036 1.00 0.00 C ATOM 964 CD2 LEU A 63 -11.052 -10.291 -0.447 1.00 0.00 C ATOM 0 H LEU A 63 -10.519 -6.214 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.983 -6.832 1.823 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.669 -8.094 -0.555 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -9.235 -8.706 1.029 1.00 0.00 H new ATOM 0 HG LEU A 63 -11.429 -9.457 1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.362 -8.953 0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.651 -7.475 0.729 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.334 -7.906 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.945 -10.916 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.861 -9.946 -1.463 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.199 -10.871 -0.094 1.00 0.00 H new ATOM 976 N PHE A 64 -7.904 -6.052 0.893 1.00 0.00 N ATOM 977 CA PHE A 64 -6.611 -5.599 1.391 1.00 0.00 C ATOM 978 C PHE A 64 -6.616 -4.091 1.625 1.00 0.00 C ATOM 979 O PHE A 64 -6.467 -3.627 2.755 1.00 0.00 O ATOM 980 CB PHE A 64 -5.502 -5.970 0.405 1.00 0.00 C ATOM 981 CG PHE A 64 -4.127 -5.590 0.878 1.00 0.00 C ATOM 982 CD1 PHE A 64 -3.639 -6.067 2.083 1.00 0.00 C ATOM 983 CD2 PHE A 64 -3.324 -4.757 0.116 1.00 0.00 C ATOM 984 CE1 PHE A 64 -2.375 -5.719 2.521 1.00 0.00 C ATOM 985 CE2 PHE A 64 -2.059 -4.406 0.548 1.00 0.00 C ATOM 986 CZ PHE A 64 -1.584 -4.888 1.752 1.00 0.00 C ATOM 0 H PHE A 64 -7.962 -6.127 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 64 -6.422 -6.096 2.343 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -5.531 -7.045 0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.697 -5.481 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.253 -6.718 2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.691 -4.378 -0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.006 -6.096 3.463 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.443 -3.756 -0.055 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.596 -4.616 2.092 1.00 0.00 H new ATOM 996 N ILE A 65 -6.788 -3.333 0.548 1.00 0.00 N ATOM 997 CA ILE A 65 -6.813 -1.878 0.635 1.00 0.00 C ATOM 998 C ILE A 65 -8.083 -1.312 0.009 1.00 0.00 C ATOM 999 O ILE A 65 -8.546 -1.795 -1.024 1.00 0.00 O ATOM 1000 CB ILE A 65 -5.589 -1.251 -0.059 1.00 0.00 C ATOM 1001 CG1 ILE A 65 -4.316 -1.552 0.735 1.00 0.00 C ATOM 1002 CG2 ILE A 65 -5.780 0.250 -0.215 1.00 0.00 C ATOM 1003 CD1 ILE A 65 -3.052 -1.085 0.050 1.00 0.00 C ATOM 0 H ILE A 65 -6.912 -3.702 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.789 -1.625 1.695 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.488 -1.690 -1.052 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.387 -1.076 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.251 -2.626 0.907 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.907 0.679 -0.707 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.667 0.443 -0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.903 0.705 0.768 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.190 -1.331 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.958 -1.580 -0.916 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.096 -0.006 -0.098 1.00 0.00 H new ATOM 1015 N GLN A 66 -8.640 -0.284 0.641 1.00 0.00 N ATOM 1016 CA GLN A 66 -9.857 0.349 0.144 1.00 0.00 C ATOM 1017 C GLN A 66 -9.557 1.730 -0.430 1.00 0.00 C ATOM 1018 O GLN A 66 -8.957 2.573 0.236 1.00 0.00 O ATOM 1019 CB GLN A 66 -10.891 0.464 1.266 1.00 0.00 C ATOM 1020 CG GLN A 66 -11.816 -0.738 1.366 1.00 0.00 C ATOM 1021 CD GLN A 66 -12.563 -0.791 2.683 1.00 0.00 C ATOM 1022 OE1 GLN A 66 -12.209 -0.102 3.640 1.00 0.00 O ATOM 1023 NE2 GLN A 66 -13.605 -1.613 2.740 1.00 0.00 N ATOM 0 H GLN A 66 -8.269 0.128 1.497 1.00 0.00 H new ATOM 0 HA GLN A 66 -10.262 -0.275 -0.652 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.372 0.592 2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -11.490 1.361 1.106 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.534 -0.708 0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -11.233 -1.651 1.246 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -13.864 -2.166 1.923 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.146 -1.691 3.601 1.00 0.00 H new ATOM 1032 N GLY A 67 -9.978 1.954 -1.671 1.00 0.00 N ATOM 1033 CA GLY A 67 -9.744 3.234 -2.314 1.00 0.00 C ATOM 1034 C GLY A 67 -8.272 3.498 -2.562 1.00 0.00 C ATOM 1035 O GLY A 67 -7.415 2.728 -2.130 1.00 0.00 O ATOM 0 H GLY A 67 -10.477 1.272 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.280 3.264 -3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -10.153 4.030 -1.692 1.00 0.00 H new ATOM 1039 N ASP A 68 -7.978 4.588 -3.262 1.00 0.00 N ATOM 1040 CA ASP A 68 -6.600 4.952 -3.568 1.00 0.00 C ATOM 1041 C ASP A 68 -5.747 4.964 -2.303 1.00 0.00 C ATOM 1042 O ASP A 68 -4.519 4.935 -2.370 1.00 0.00 O ATOM 1043 CB ASP A 68 -6.549 6.323 -4.244 1.00 0.00 C ATOM 1044 CG ASP A 68 -7.383 6.374 -5.510 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -6.885 5.935 -6.567 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -8.534 6.853 -5.442 1.00 0.00 O ATOM 0 H ASP A 68 -8.676 5.235 -3.628 1.00 0.00 H new ATOM 0 HA ASP A 68 -6.197 4.204 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.904 7.082 -3.547 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.514 6.569 -4.483 1.00 0.00 H new ATOM 1051 N SER A 69 -6.408 5.008 -1.150 1.00 0.00 N ATOM 1052 CA SER A 69 -5.711 5.030 0.131 1.00 0.00 C ATOM 1053 C SER A 69 -5.755 3.657 0.796 1.00 0.00 C ATOM 1054 O SER A 69 -6.576 2.810 0.444 1.00 0.00 O ATOM 1055 CB SER A 69 -6.332 6.077 1.056 1.00 0.00 C ATOM 1056 OG SER A 69 -5.704 7.337 0.894 1.00 0.00 O ATOM 0 H SER A 69 -7.425 5.029 -1.077 1.00 0.00 H new ATOM 0 HA SER A 69 -4.669 5.292 -0.054 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.397 6.168 0.844 1.00 0.00 H new ATOM 0 HB3 SER A 69 -6.240 5.752 2.092 1.00 0.00 H new ATOM 0 HG SER A 69 -5.806 7.636 -0.034 1.00 0.00 H new ATOM 1062 N VAL A 70 -4.865 3.445 1.760 1.00 0.00 N ATOM 1063 CA VAL A 70 -4.801 2.177 2.476 1.00 0.00 C ATOM 1064 C VAL A 70 -5.923 2.069 3.503 1.00 0.00 C ATOM 1065 O VAL A 70 -6.289 3.055 4.143 1.00 0.00 O ATOM 1066 CB VAL A 70 -3.448 2.002 3.190 1.00 0.00 C ATOM 1067 CG1 VAL A 70 -2.306 2.033 2.185 1.00 0.00 C ATOM 1068 CG2 VAL A 70 -3.264 3.076 4.251 1.00 0.00 C ATOM 0 H VAL A 70 -4.178 4.135 2.063 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.915 1.388 1.733 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.440 1.030 3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.358 1.908 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.433 1.225 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.308 2.989 1.661 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.303 2.938 4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.292 4.059 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.065 3.002 4.987 1.00 0.00 H new ATOM 1078 N ARG A 71 -6.464 0.865 3.656 1.00 0.00 N ATOM 1079 CA ARG A 71 -7.544 0.628 4.606 1.00 0.00 C ATOM 1080 C ARG A 71 -7.201 1.204 5.976 1.00 0.00 C ATOM 1081 O ARG A 71 -6.043 1.489 6.284 1.00 0.00 O ATOM 1082 CB ARG A 71 -7.826 -0.871 4.727 1.00 0.00 C ATOM 1083 CG ARG A 71 -8.892 -1.371 3.766 1.00 0.00 C ATOM 1084 CD ARG A 71 -9.534 -2.656 4.265 1.00 0.00 C ATOM 1085 NE ARG A 71 -8.540 -3.681 4.574 1.00 0.00 N ATOM 1086 CZ ARG A 71 -8.837 -4.848 5.133 1.00 0.00 C ATOM 1087 NH1 ARG A 71 -10.093 -5.137 5.444 1.00 0.00 N ATOM 1088 NH2 ARG A 71 -7.877 -5.729 5.383 1.00 0.00 N ATOM 0 H ARG A 71 -6.172 0.039 3.134 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.437 1.130 4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.902 -1.421 4.549 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.137 -1.092 5.748 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -9.658 -0.606 3.640 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.448 -1.542 2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.125 -2.444 5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -10.222 -3.035 3.509 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.564 -3.490 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.834 -4.462 5.254 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -10.319 -6.034 5.873 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.909 -5.510 5.146 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.107 -6.625 5.813 1.00 0.00 H new ATOM 1102 N PRO A 72 -8.229 1.382 6.818 1.00 0.00 N ATOM 1103 CA PRO A 72 -8.061 1.926 8.169 1.00 0.00 C ATOM 1104 C PRO A 72 -7.339 0.956 9.099 1.00 0.00 C ATOM 1105 O PRO A 72 -7.171 1.229 10.287 1.00 0.00 O ATOM 1106 CB PRO A 72 -9.499 2.150 8.643 1.00 0.00 C ATOM 1107 CG PRO A 72 -10.313 1.182 7.855 1.00 0.00 C ATOM 1108 CD PRO A 72 -9.635 1.064 6.518 1.00 0.00 C ATOM 0 HA PRO A 72 -7.451 2.829 8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -9.596 1.969 9.714 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -9.820 3.176 8.463 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -10.361 0.215 8.355 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.338 1.534 7.743 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.740 0.062 6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.057 1.758 5.791 1.00 0.00 H new ATOM 1116 N GLY A 73 -6.914 -0.177 8.550 1.00 0.00 N ATOM 1117 CA GLY A 73 -6.214 -1.170 9.345 1.00 0.00 C ATOM 1118 C GLY A 73 -4.814 -1.441 8.833 1.00 0.00 C ATOM 1119 O GLY A 73 -3.895 -1.681 9.616 1.00 0.00 O ATOM 0 H GLY A 73 -7.042 -0.426 7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.160 -0.830 10.379 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -6.784 -2.099 9.344 1.00 0.00 H new ATOM 1123 N ILE A 74 -4.650 -1.405 7.515 1.00 0.00 N ATOM 1124 CA ILE A 74 -3.352 -1.649 6.899 1.00 0.00 C ATOM 1125 C ILE A 74 -2.350 -0.563 7.279 1.00 0.00 C ATOM 1126 O ILE A 74 -2.492 0.594 6.881 1.00 0.00 O ATOM 1127 CB ILE A 74 -3.460 -1.718 5.365 1.00 0.00 C ATOM 1128 CG1 ILE A 74 -4.547 -2.713 4.952 1.00 0.00 C ATOM 1129 CG2 ILE A 74 -2.120 -2.107 4.756 1.00 0.00 C ATOM 1130 CD1 ILE A 74 -4.175 -4.156 5.210 1.00 0.00 C ATOM 0 H ILE A 74 -5.401 -1.209 6.853 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.001 -2.611 7.273 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.735 -0.732 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.465 -2.481 5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.761 -2.586 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.213 -2.152 3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.369 -1.365 5.026 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.818 -3.083 5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.992 -4.805 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.275 -4.406 4.648 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.990 -4.299 6.275 1.00 0.00 H new ATOM 1142 N LEU A 75 -1.337 -0.944 8.049 1.00 0.00 N ATOM 1143 CA LEU A 75 -0.310 -0.003 8.482 1.00 0.00 C ATOM 1144 C LEU A 75 0.885 -0.028 7.534 1.00 0.00 C ATOM 1145 O LEU A 75 1.559 -1.049 7.395 1.00 0.00 O ATOM 1146 CB LEU A 75 0.146 -0.334 9.904 1.00 0.00 C ATOM 1147 CG LEU A 75 -0.797 0.097 11.028 1.00 0.00 C ATOM 1148 CD1 LEU A 75 -0.439 -0.612 12.326 1.00 0.00 C ATOM 1149 CD2 LEU A 75 -0.752 1.606 11.214 1.00 0.00 C ATOM 0 H LEU A 75 -1.205 -1.897 8.386 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.740 0.998 8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.295 -1.411 9.975 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.116 0.134 10.071 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.813 -0.185 10.751 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.120 -0.293 13.115 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.524 -1.690 12.187 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.584 -0.362 12.607 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.429 1.894 12.018 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.263 1.911 11.468 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.057 2.096 10.289 1.00 0.00 H new ATOM 1161 N VAL A 76 1.144 1.103 6.886 1.00 0.00 N ATOM 1162 CA VAL A 76 2.259 1.212 5.953 1.00 0.00 C ATOM 1163 C VAL A 76 3.452 1.905 6.603 1.00 0.00 C ATOM 1164 O VAL A 76 3.291 2.718 7.514 1.00 0.00 O ATOM 1165 CB VAL A 76 1.857 1.988 4.685 1.00 0.00 C ATOM 1166 CG1 VAL A 76 0.626 1.364 4.045 1.00 0.00 C ATOM 1167 CG2 VAL A 76 1.613 3.453 5.012 1.00 0.00 C ATOM 0 H VAL A 76 0.596 1.957 6.990 1.00 0.00 H new ATOM 0 HA VAL A 76 2.539 0.196 5.674 1.00 0.00 H new ATOM 0 HB VAL A 76 2.678 1.931 3.970 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.357 1.926 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.841 0.331 3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.203 1.388 4.752 1.00 0.00 H new ATOM 0 HG21 VAL A 76 1.330 3.986 4.104 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.811 3.533 5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.523 3.891 5.421 1.00 0.00 H new ATOM 1177 N LEU A 77 4.649 1.579 6.128 1.00 0.00 N ATOM 1178 CA LEU A 77 5.871 2.171 6.661 1.00 0.00 C ATOM 1179 C LEU A 77 6.886 2.418 5.550 1.00 0.00 C ATOM 1180 O LEU A 77 7.273 1.495 4.833 1.00 0.00 O ATOM 1181 CB LEU A 77 6.478 1.259 7.729 1.00 0.00 C ATOM 1182 CG LEU A 77 6.011 1.503 9.164 1.00 0.00 C ATOM 1183 CD1 LEU A 77 6.065 0.214 9.970 1.00 0.00 C ATOM 1184 CD2 LEU A 77 6.857 2.582 9.824 1.00 0.00 C ATOM 0 H LEU A 77 4.799 0.908 5.375 1.00 0.00 H new ATOM 0 HA LEU A 77 5.615 3.129 7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.253 0.225 7.466 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.562 1.368 7.698 1.00 0.00 H new ATOM 0 HG LEU A 77 4.977 1.846 9.135 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.729 0.408 10.989 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.416 -0.531 9.509 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.089 -0.160 9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.510 2.742 10.845 1.00 0.00 H new ATOM 0 HD22 LEU A 77 7.900 2.267 9.840 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.767 3.510 9.260 1.00 0.00 H new ATOM 1196 N ILE A 78 7.316 3.668 5.415 1.00 0.00 N ATOM 1197 CA ILE A 78 8.289 4.035 4.394 1.00 0.00 C ATOM 1198 C ILE A 78 9.709 3.992 4.947 1.00 0.00 C ATOM 1199 O ILE A 78 10.041 4.707 5.892 1.00 0.00 O ATOM 1200 CB ILE A 78 8.012 5.443 3.833 1.00 0.00 C ATOM 1201 CG1 ILE A 78 6.638 5.486 3.160 1.00 0.00 C ATOM 1202 CG2 ILE A 78 9.101 5.845 2.850 1.00 0.00 C ATOM 1203 CD1 ILE A 78 6.075 6.883 3.026 1.00 0.00 C ATOM 0 H ILE A 78 7.006 4.444 6.000 1.00 0.00 H new ATOM 0 HA ILE A 78 8.192 3.306 3.590 1.00 0.00 H new ATOM 0 HB ILE A 78 8.014 6.154 4.659 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.713 5.037 2.170 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.941 4.876 3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.891 6.842 2.462 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.066 5.848 3.357 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.127 5.133 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.100 6.837 2.541 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.967 7.328 4.015 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.751 7.492 2.426 1.00 0.00 H new ATOM 1215 N ASN A 79 10.545 3.148 4.350 1.00 0.00 N ATOM 1216 CA ASN A 79 11.931 3.011 4.782 1.00 0.00 C ATOM 1217 C ASN A 79 12.022 2.933 6.303 1.00 0.00 C ATOM 1218 O ASN A 79 12.874 3.574 6.919 1.00 0.00 O ATOM 1219 CB ASN A 79 12.765 4.188 4.271 1.00 0.00 C ATOM 1220 CG ASN A 79 13.356 3.924 2.899 1.00 0.00 C ATOM 1221 OD1 ASN A 79 14.375 3.245 2.771 1.00 0.00 O ATOM 1222 ND2 ASN A 79 12.718 4.462 1.867 1.00 0.00 N ATOM 0 H ASN A 79 10.286 2.549 3.566 1.00 0.00 H new ATOM 0 HA ASN A 79 12.325 2.085 4.364 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.141 5.081 4.230 1.00 0.00 H new ATOM 0 HB3 ASN A 79 13.570 4.394 4.977 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.069 4.320 0.920 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.877 5.018 2.021 1.00 0.00 H new ATOM 1229 N ASP A 80 11.138 2.142 6.903 1.00 0.00 N ATOM 1230 CA ASP A 80 11.119 1.978 8.352 1.00 0.00 C ATOM 1231 C ASP A 80 10.754 3.288 9.042 1.00 0.00 C ATOM 1232 O ASP A 80 11.433 3.721 9.973 1.00 0.00 O ATOM 1233 CB ASP A 80 12.479 1.487 8.849 1.00 0.00 C ATOM 1234 CG ASP A 80 12.925 0.215 8.154 1.00 0.00 C ATOM 1235 OD1 ASP A 80 12.819 0.149 6.911 1.00 0.00 O ATOM 1236 OD2 ASP A 80 13.381 -0.714 8.853 1.00 0.00 O ATOM 0 H ASP A 80 10.426 1.605 6.408 1.00 0.00 H new ATOM 0 HA ASP A 80 10.361 1.235 8.599 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.224 2.266 8.688 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.428 1.312 9.924 1.00 0.00 H new ATOM 1241 N ALA A 81 9.677 3.915 8.580 1.00 0.00 N ATOM 1242 CA ALA A 81 9.221 5.175 9.154 1.00 0.00 C ATOM 1243 C ALA A 81 7.754 5.430 8.822 1.00 0.00 C ATOM 1244 O ALA A 81 7.373 5.484 7.653 1.00 0.00 O ATOM 1245 CB ALA A 81 10.084 6.325 8.656 1.00 0.00 C ATOM 0 H ALA A 81 9.104 3.571 7.810 1.00 0.00 H new ATOM 0 HA ALA A 81 9.315 5.107 10.238 1.00 0.00 H new ATOM 0 HB1 ALA A 81 9.732 7.260 9.093 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.120 6.155 8.948 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.019 6.385 7.570 1.00 0.00 H new ATOM 1251 N ASP A 82 6.937 5.586 9.858 1.00 0.00 N ATOM 1252 CA ASP A 82 5.512 5.836 9.677 1.00 0.00 C ATOM 1253 C ASP A 82 5.275 6.838 8.551 1.00 0.00 C ATOM 1254 O ASP A 82 5.765 7.966 8.598 1.00 0.00 O ATOM 1255 CB ASP A 82 4.894 6.355 10.976 1.00 0.00 C ATOM 1256 CG ASP A 82 4.401 5.235 11.870 1.00 0.00 C ATOM 1257 OD1 ASP A 82 5.225 4.661 12.613 1.00 0.00 O ATOM 1258 OD2 ASP A 82 3.190 4.933 11.829 1.00 0.00 O ATOM 0 H ASP A 82 7.237 5.544 10.832 1.00 0.00 H new ATOM 0 HA ASP A 82 5.035 4.894 9.408 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.633 6.948 11.515 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.063 7.020 10.740 1.00 0.00 H new ATOM 1263 N TRP A 83 4.523 6.417 7.541 1.00 0.00 N ATOM 1264 CA TRP A 83 4.222 7.277 6.402 1.00 0.00 C ATOM 1265 C TRP A 83 3.455 8.518 6.845 1.00 0.00 C ATOM 1266 O TRP A 83 3.306 9.471 6.081 1.00 0.00 O ATOM 1267 CB TRP A 83 3.413 6.509 5.356 1.00 0.00 C ATOM 1268 CG TRP A 83 2.014 6.198 5.797 1.00 0.00 C ATOM 1269 CD1 TRP A 83 1.610 5.850 7.054 1.00 0.00 C ATOM 1270 CD2 TRP A 83 0.837 6.206 4.983 1.00 0.00 C ATOM 1271 NE1 TRP A 83 0.252 5.640 7.070 1.00 0.00 N ATOM 1272 CE2 TRP A 83 -0.246 5.854 5.812 1.00 0.00 C ATOM 1273 CE3 TRP A 83 0.591 6.479 3.634 1.00 0.00 C ATOM 1274 CZ2 TRP A 83 -1.551 5.766 5.335 1.00 0.00 C ATOM 1275 CZ3 TRP A 83 -0.705 6.391 3.162 1.00 0.00 C ATOM 1276 CH2 TRP A 83 -1.762 6.038 4.011 1.00 0.00 C ATOM 0 H TRP A 83 4.110 5.486 7.487 1.00 0.00 H new ATOM 0 HA TRP A 83 5.166 7.595 5.959 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.375 7.093 4.436 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.928 5.577 5.121 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.262 5.754 7.910 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -0.296 5.369 7.886 1.00 0.00 H new ATOM 0 HE3 TRP A 83 1.399 6.754 2.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -2.368 5.493 5.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -0.906 6.598 2.121 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.764 5.979 3.612 1.00 0.00 H new ATOM 1287 N GLU A 84 2.971 8.500 8.083 1.00 0.00 N ATOM 1288 CA GLU A 84 2.219 9.625 8.625 1.00 0.00 C ATOM 1289 C GLU A 84 3.158 10.743 9.070 1.00 0.00 C ATOM 1290 O GLU A 84 2.830 11.925 8.958 1.00 0.00 O ATOM 1291 CB GLU A 84 1.357 9.170 9.804 1.00 0.00 C ATOM 1292 CG GLU A 84 0.327 8.116 9.434 1.00 0.00 C ATOM 1293 CD GLU A 84 -0.815 8.040 10.429 1.00 0.00 C ATOM 1294 OE1 GLU A 84 -1.434 9.089 10.703 1.00 0.00 O ATOM 1295 OE2 GLU A 84 -1.089 6.931 10.933 1.00 0.00 O ATOM 0 H GLU A 84 3.086 7.719 8.729 1.00 0.00 H new ATOM 0 HA GLU A 84 1.571 10.009 7.837 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.005 8.774 10.586 1.00 0.00 H new ATOM 0 HB3 GLU A 84 0.844 10.035 10.224 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.073 8.336 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.815 7.143 9.372 1.00 0.00 H new ATOM 1302 N LEU A 85 4.326 10.361 9.575 1.00 0.00 N ATOM 1303 CA LEU A 85 5.313 11.330 10.037 1.00 0.00 C ATOM 1304 C LEU A 85 5.921 12.091 8.863 1.00 0.00 C ATOM 1305 O LEU A 85 6.508 13.160 9.038 1.00 0.00 O ATOM 1306 CB LEU A 85 6.416 10.626 10.829 1.00 0.00 C ATOM 1307 CG LEU A 85 6.183 10.496 12.334 1.00 0.00 C ATOM 1308 CD1 LEU A 85 4.954 9.644 12.612 1.00 0.00 C ATOM 1309 CD2 LEU A 85 7.409 9.904 13.014 1.00 0.00 C ATOM 0 H LEU A 85 4.612 9.387 9.675 1.00 0.00 H new ATOM 0 HA LEU A 85 4.807 12.045 10.686 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.552 9.627 10.415 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.350 11.166 10.671 1.00 0.00 H new ATOM 0 HG LEU A 85 6.010 11.491 12.743 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.804 9.562 13.689 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.079 10.109 12.158 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.097 8.650 12.189 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.225 9.819 14.085 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.613 8.916 12.601 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.268 10.553 12.844 1.00 0.00 H new ATOM 1321 N LEU A 86 5.774 11.535 7.665 1.00 0.00 N ATOM 1322 CA LEU A 86 6.307 12.163 6.460 1.00 0.00 C ATOM 1323 C LEU A 86 5.182 12.726 5.597 1.00 0.00 C ATOM 1324 O LEU A 86 5.112 13.931 5.360 1.00 0.00 O ATOM 1325 CB LEU A 86 7.126 11.152 5.655 1.00 0.00 C ATOM 1326 CG LEU A 86 7.963 10.166 6.470 1.00 0.00 C ATOM 1327 CD1 LEU A 86 8.113 8.849 5.723 1.00 0.00 C ATOM 1328 CD2 LEU A 86 9.328 10.760 6.786 1.00 0.00 C ATOM 0 H LEU A 86 5.291 10.652 7.502 1.00 0.00 H new ATOM 0 HA LEU A 86 6.954 12.986 6.764 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.444 10.583 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.793 11.701 4.991 1.00 0.00 H new ATOM 0 HG LEU A 86 7.447 9.971 7.410 1.00 0.00 H new ATOM 0 HD11 LEU A 86 8.712 8.159 6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.128 8.416 5.547 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.607 9.027 4.768 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.911 10.045 7.367 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.851 10.984 5.856 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.201 11.677 7.362 1.00 0.00 H new ATOM 1340 N GLY A 87 4.302 11.845 5.132 1.00 0.00 N ATOM 1341 CA GLY A 87 3.191 12.273 4.302 1.00 0.00 C ATOM 1342 C GLY A 87 2.404 11.106 3.739 1.00 0.00 C ATOM 1343 O GLY A 87 2.746 10.569 2.686 1.00 0.00 O ATOM 0 H GLY A 87 4.338 10.842 5.315 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.526 12.906 4.889 1.00 0.00 H new ATOM 0 HA3 GLY A 87 3.569 12.882 3.481 1.00 0.00 H new ATOM 1347 N GLU A 88 1.348 10.712 4.443 1.00 0.00 N ATOM 1348 CA GLU A 88 0.512 9.599 4.008 1.00 0.00 C ATOM 1349 C GLU A 88 0.418 9.553 2.485 1.00 0.00 C ATOM 1350 O GLU A 88 0.977 8.661 1.844 1.00 0.00 O ATOM 1351 CB GLU A 88 -0.889 9.717 4.613 1.00 0.00 C ATOM 1352 CG GLU A 88 -0.886 10.085 6.087 1.00 0.00 C ATOM 1353 CD GLU A 88 -0.864 11.584 6.313 1.00 0.00 C ATOM 1354 OE1 GLU A 88 -0.781 12.333 5.317 1.00 0.00 O ATOM 1355 OE2 GLU A 88 -0.931 12.009 7.486 1.00 0.00 O ATOM 0 H GLU A 88 1.051 11.147 5.317 1.00 0.00 H new ATOM 0 HA GLU A 88 0.973 8.674 4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.452 10.469 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -1.412 8.769 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.769 9.662 6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.017 9.636 6.568 1.00 0.00 H new ATOM 1362 N LEU A 89 -0.292 10.518 1.913 1.00 0.00 N ATOM 1363 CA LEU A 89 -0.461 10.588 0.465 1.00 0.00 C ATOM 1364 C LEU A 89 0.302 11.775 -0.115 1.00 0.00 C ATOM 1365 O LEU A 89 0.430 11.908 -1.332 1.00 0.00 O ATOM 1366 CB LEU A 89 -1.945 10.698 0.110 1.00 0.00 C ATOM 1367 CG LEU A 89 -2.848 9.591 0.653 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -4.311 9.987 0.530 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -2.586 8.281 -0.077 1.00 0.00 C ATOM 0 H LEU A 89 -0.760 11.263 2.429 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.057 9.673 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.316 11.655 0.477 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.038 10.715 -0.976 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.618 9.448 1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.939 9.187 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -4.490 10.900 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.554 10.159 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.238 7.505 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.787 8.411 -1.141 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.545 7.988 0.063 1.00 0.00 H new ATOM 1381 N ASP A 90 0.807 12.634 0.764 1.00 0.00 N ATOM 1382 CA ASP A 90 1.560 13.808 0.340 1.00 0.00 C ATOM 1383 C ASP A 90 3.014 13.446 0.053 1.00 0.00 C ATOM 1384 O ASP A 90 3.733 14.198 -0.607 1.00 0.00 O ATOM 1385 CB ASP A 90 1.495 14.897 1.412 1.00 0.00 C ATOM 1386 CG ASP A 90 0.070 15.250 1.793 1.00 0.00 C ATOM 1387 OD1 ASP A 90 -0.777 15.363 0.882 1.00 0.00 O ATOM 1388 OD2 ASP A 90 -0.197 15.411 3.002 1.00 0.00 O ATOM 0 H ASP A 90 0.708 12.539 1.775 1.00 0.00 H new ATOM 0 HA ASP A 90 1.110 14.186 -0.578 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.033 14.562 2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.003 15.791 1.049 1.00 0.00 H new ATOM 1393 N TYR A 91 3.441 12.293 0.553 1.00 0.00 N ATOM 1394 CA TYR A 91 4.811 11.833 0.353 1.00 0.00 C ATOM 1395 C TYR A 91 5.035 11.401 -1.093 1.00 0.00 C ATOM 1396 O TYR A 91 4.153 10.813 -1.719 1.00 0.00 O ATOM 1397 CB TYR A 91 5.124 10.672 1.299 1.00 0.00 C ATOM 1398 CG TYR A 91 6.577 10.252 1.280 1.00 0.00 C ATOM 1399 CD1 TYR A 91 7.100 9.539 0.208 1.00 0.00 C ATOM 1400 CD2 TYR A 91 7.425 10.565 2.334 1.00 0.00 C ATOM 1401 CE1 TYR A 91 8.426 9.152 0.186 1.00 0.00 C ATOM 1402 CE2 TYR A 91 8.753 10.183 2.321 1.00 0.00 C ATOM 1403 CZ TYR A 91 9.248 9.477 1.245 1.00 0.00 C ATOM 1404 OH TYR A 91 10.569 9.093 1.228 1.00 0.00 O ATOM 0 H TYR A 91 2.859 11.659 1.100 1.00 0.00 H new ATOM 0 HA TYR A 91 5.482 12.663 0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.850 10.958 2.315 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.504 9.817 1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 91 6.459 9.283 -0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.040 11.117 3.179 1.00 0.00 H new ATOM 0 HE1 TYR A 91 8.817 8.598 -0.655 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.399 10.436 3.149 1.00 0.00 H new ATOM 0 HH TYR A 91 11.010 9.401 2.047 1.00 0.00 H new ATOM 1414 N GLN A 92 6.221 11.695 -1.614 1.00 0.00 N ATOM 1415 CA GLN A 92 6.562 11.337 -2.986 1.00 0.00 C ATOM 1416 C GLN A 92 7.651 10.271 -3.016 1.00 0.00 C ATOM 1417 O GLN A 92 8.804 10.536 -2.674 1.00 0.00 O ATOM 1418 CB GLN A 92 7.022 12.575 -3.759 1.00 0.00 C ATOM 1419 CG GLN A 92 6.027 13.723 -3.717 1.00 0.00 C ATOM 1420 CD GLN A 92 6.687 15.074 -3.907 1.00 0.00 C ATOM 1421 OE1 GLN A 92 6.498 15.989 -3.104 1.00 0.00 O ATOM 1422 NE2 GLN A 92 7.467 15.208 -4.973 1.00 0.00 N ATOM 0 H GLN A 92 6.962 12.180 -1.108 1.00 0.00 H new ATOM 0 HA GLN A 92 5.669 10.931 -3.461 1.00 0.00 H new ATOM 0 HB2 GLN A 92 7.974 12.915 -3.351 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.201 12.298 -4.798 1.00 0.00 H new ATOM 0 HG2 GLN A 92 5.277 13.577 -4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.503 13.710 -2.761 1.00 0.00 H new ATOM 0 HE21 GLN A 92 7.596 14.424 -5.613 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.937 16.095 -5.152 1.00 0.00 H new ATOM 1431 N LEU A 93 7.279 9.063 -3.426 1.00 0.00 N ATOM 1432 CA LEU A 93 8.225 7.955 -3.500 1.00 0.00 C ATOM 1433 C LEU A 93 9.295 8.222 -4.555 1.00 0.00 C ATOM 1434 O LEU A 93 9.033 8.870 -5.567 1.00 0.00 O ATOM 1435 CB LEU A 93 7.490 6.652 -3.821 1.00 0.00 C ATOM 1436 CG LEU A 93 6.621 6.079 -2.701 1.00 0.00 C ATOM 1437 CD1 LEU A 93 6.298 4.617 -2.971 1.00 0.00 C ATOM 1438 CD2 LEU A 93 7.314 6.234 -1.355 1.00 0.00 C ATOM 0 H LEU A 93 6.329 8.826 -3.712 1.00 0.00 H new ATOM 0 HA LEU A 93 8.713 7.860 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.859 6.820 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.229 5.901 -4.101 1.00 0.00 H new ATOM 0 HG LEU A 93 5.685 6.637 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 93 5.679 4.226 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 93 5.760 4.532 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.224 4.044 -3.028 1.00 0.00 H new ATOM 0 HD21 LEU A 93 6.681 5.821 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 93 8.265 5.702 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 93 7.493 7.291 -1.158 1.00 0.00 H new ATOM 1450 N GLN A 94 10.499 7.715 -4.310 1.00 0.00 N ATOM 1451 CA GLN A 94 11.607 7.897 -5.240 1.00 0.00 C ATOM 1452 C GLN A 94 12.221 6.555 -5.625 1.00 0.00 C ATOM 1453 O GLN A 94 11.741 5.500 -5.210 1.00 0.00 O ATOM 1454 CB GLN A 94 12.675 8.801 -4.621 1.00 0.00 C ATOM 1455 CG GLN A 94 12.217 10.237 -4.425 1.00 0.00 C ATOM 1456 CD GLN A 94 12.495 11.109 -5.634 1.00 0.00 C ATOM 1457 OE1 GLN A 94 13.544 11.746 -5.726 1.00 0.00 O ATOM 1458 NE2 GLN A 94 11.553 11.141 -6.569 1.00 0.00 N ATOM 0 H GLN A 94 10.732 7.176 -3.476 1.00 0.00 H new ATOM 0 HA GLN A 94 11.218 8.370 -6.142 1.00 0.00 H new ATOM 0 HB2 GLN A 94 12.974 8.389 -3.657 1.00 0.00 H new ATOM 0 HB3 GLN A 94 13.559 8.794 -5.259 1.00 0.00 H new ATOM 0 HG2 GLN A 94 11.148 10.247 -4.212 1.00 0.00 H new ATOM 0 HG3 GLN A 94 12.719 10.659 -3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.699 10.597 -6.451 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.684 11.710 -7.405 1.00 0.00 H new ATOM 1467 N ASP A 95 13.283 6.603 -6.421 1.00 0.00 N ATOM 1468 CA ASP A 95 13.963 5.391 -6.863 1.00 0.00 C ATOM 1469 C ASP A 95 14.723 4.744 -5.709 1.00 0.00 C ATOM 1470 O ASP A 95 15.149 5.424 -4.776 1.00 0.00 O ATOM 1471 CB ASP A 95 14.925 5.709 -8.009 1.00 0.00 C ATOM 1472 CG ASP A 95 14.355 6.727 -8.977 1.00 0.00 C ATOM 1473 OD1 ASP A 95 14.099 7.873 -8.551 1.00 0.00 O ATOM 1474 OD2 ASP A 95 14.166 6.379 -10.161 1.00 0.00 O ATOM 0 H ASP A 95 13.692 7.468 -6.774 1.00 0.00 H new ATOM 0 HA ASP A 95 13.208 4.689 -7.217 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.862 6.086 -7.599 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.160 4.791 -8.548 1.00 0.00 H new ATOM 1479 N GLN A 96 14.889 3.427 -5.781 1.00 0.00 N ATOM 1480 CA GLN A 96 15.596 2.689 -4.742 1.00 0.00 C ATOM 1481 C GLN A 96 14.983 2.956 -3.371 1.00 0.00 C ATOM 1482 O GLN A 96 15.698 3.175 -2.393 1.00 0.00 O ATOM 1483 CB GLN A 96 17.078 3.069 -4.734 1.00 0.00 C ATOM 1484 CG GLN A 96 17.934 2.199 -5.640 1.00 0.00 C ATOM 1485 CD GLN A 96 17.172 1.685 -6.846 1.00 0.00 C ATOM 1486 OE1 GLN A 96 17.195 0.491 -7.146 1.00 0.00 O ATOM 1487 NE2 GLN A 96 16.492 2.586 -7.545 1.00 0.00 N ATOM 0 H GLN A 96 14.543 2.850 -6.548 1.00 0.00 H new ATOM 0 HA GLN A 96 15.503 1.625 -4.961 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.179 4.110 -5.042 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.457 3.000 -3.714 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.797 2.772 -5.978 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.317 1.353 -5.069 1.00 0.00 H new ATOM 0 HE21 GLN A 96 16.501 3.565 -7.260 1.00 0.00 H new ATOM 0 HE22 GLN A 96 15.961 2.299 -8.367 1.00 0.00 H new ATOM 1496 N ASP A 97 13.657 2.938 -3.308 1.00 0.00 N ATOM 1497 CA ASP A 97 12.947 3.178 -2.056 1.00 0.00 C ATOM 1498 C ASP A 97 12.465 1.867 -1.445 1.00 0.00 C ATOM 1499 O ASP A 97 12.551 0.810 -2.070 1.00 0.00 O ATOM 1500 CB ASP A 97 11.760 4.114 -2.290 1.00 0.00 C ATOM 1501 CG ASP A 97 12.181 5.564 -2.415 1.00 0.00 C ATOM 1502 OD1 ASP A 97 13.073 5.855 -3.239 1.00 0.00 O ATOM 1503 OD2 ASP A 97 11.617 6.410 -1.689 1.00 0.00 O ATOM 0 H ASP A 97 13.051 2.760 -4.109 1.00 0.00 H new ATOM 0 HA ASP A 97 13.639 3.650 -1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 97 11.236 3.812 -3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 97 11.054 4.014 -1.466 1.00 0.00 H new ATOM 1508 N SER A 98 11.959 1.943 -0.218 1.00 0.00 N ATOM 1509 CA SER A 98 11.468 0.761 0.481 1.00 0.00 C ATOM 1510 C SER A 98 10.115 1.037 1.131 1.00 0.00 C ATOM 1511 O SER A 98 9.970 1.982 1.907 1.00 0.00 O ATOM 1512 CB SER A 98 12.475 0.314 1.542 1.00 0.00 C ATOM 1513 OG SER A 98 13.541 -0.415 0.958 1.00 0.00 O ATOM 0 H SER A 98 11.878 2.811 0.312 1.00 0.00 H new ATOM 0 HA SER A 98 11.344 -0.038 -0.250 1.00 0.00 H new ATOM 0 HB2 SER A 98 12.869 1.186 2.064 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.973 -0.303 2.287 1.00 0.00 H new ATOM 0 HG SER A 98 14.172 -0.688 1.656 1.00 0.00 H new ATOM 1519 N ILE A 99 9.130 0.206 0.809 1.00 0.00 N ATOM 1520 CA ILE A 99 7.790 0.359 1.362 1.00 0.00 C ATOM 1521 C ILE A 99 7.347 -0.906 2.088 1.00 0.00 C ATOM 1522 O ILE A 99 7.600 -2.020 1.627 1.00 0.00 O ATOM 1523 CB ILE A 99 6.763 0.695 0.265 1.00 0.00 C ATOM 1524 CG1 ILE A 99 7.318 1.770 -0.672 1.00 0.00 C ATOM 1525 CG2 ILE A 99 5.453 1.152 0.888 1.00 0.00 C ATOM 1526 CD1 ILE A 99 7.396 3.141 -0.039 1.00 0.00 C ATOM 0 H ILE A 99 9.234 -0.580 0.168 1.00 0.00 H new ATOM 0 HA ILE A 99 7.834 1.185 2.072 1.00 0.00 H new ATOM 0 HB ILE A 99 6.570 -0.205 -0.319 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.314 1.474 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.690 1.825 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 99 4.737 1.386 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.053 0.357 1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 99 5.629 2.041 1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.798 3.852 -0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.399 3.458 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.047 3.102 0.834 1.00 0.00 H new ATOM 1538 N LEU A 100 6.683 -0.728 3.225 1.00 0.00 N ATOM 1539 CA LEU A 100 6.202 -1.856 4.015 1.00 0.00 C ATOM 1540 C LEU A 100 4.708 -1.726 4.296 1.00 0.00 C ATOM 1541 O LEU A 100 4.188 -0.620 4.443 1.00 0.00 O ATOM 1542 CB LEU A 100 6.974 -1.948 5.332 1.00 0.00 C ATOM 1543 CG LEU A 100 6.372 -2.860 6.401 1.00 0.00 C ATOM 1544 CD1 LEU A 100 6.505 -4.319 5.993 1.00 0.00 C ATOM 1545 CD2 LEU A 100 7.040 -2.618 7.746 1.00 0.00 C ATOM 0 H LEU A 100 6.465 0.187 3.620 1.00 0.00 H new ATOM 0 HA LEU A 100 6.367 -2.767 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.984 -2.295 5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.064 -0.945 5.748 1.00 0.00 H new ATOM 0 HG LEU A 100 5.312 -2.625 6.497 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.071 -4.954 6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 100 5.980 -4.483 5.052 1.00 0.00 H new ATOM 0 HD13 LEU A 100 7.559 -4.567 5.869 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.599 -3.276 8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.107 -2.825 7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.893 -1.580 8.044 1.00 0.00 H new ATOM 1557 N PHE A 101 4.024 -2.863 4.371 1.00 0.00 N ATOM 1558 CA PHE A 101 2.591 -2.876 4.636 1.00 0.00 C ATOM 1559 C PHE A 101 2.228 -3.993 5.611 1.00 0.00 C ATOM 1560 O PHE A 101 2.629 -5.143 5.430 1.00 0.00 O ATOM 1561 CB PHE A 101 1.811 -3.050 3.331 1.00 0.00 C ATOM 1562 CG PHE A 101 2.079 -1.968 2.324 1.00 0.00 C ATOM 1563 CD1 PHE A 101 3.258 -1.957 1.597 1.00 0.00 C ATOM 1564 CD2 PHE A 101 1.151 -0.963 2.104 1.00 0.00 C ATOM 1565 CE1 PHE A 101 3.507 -0.962 0.670 1.00 0.00 C ATOM 1566 CE2 PHE A 101 1.394 0.034 1.179 1.00 0.00 C ATOM 1567 CZ PHE A 101 2.574 0.034 0.460 1.00 0.00 C ATOM 0 H PHE A 101 4.439 -3.787 4.252 1.00 0.00 H new ATOM 0 HA PHE A 101 2.322 -1.921 5.088 1.00 0.00 H new ATOM 0 HB2 PHE A 101 2.064 -4.015 2.892 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.744 -3.071 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.991 -2.734 1.756 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.227 -0.959 2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.431 -0.964 0.110 1.00 0.00 H new ATOM 0 HE2 PHE A 101 0.663 0.812 1.018 1.00 0.00 H new ATOM 0 HZ PHE A 101 2.766 0.811 -0.265 1.00 0.00 H new ATOM 1577 N ILE A 102 1.469 -3.645 6.644 1.00 0.00 N ATOM 1578 CA ILE A 102 1.052 -4.617 7.647 1.00 0.00 C ATOM 1579 C ILE A 102 -0.468 -4.711 7.723 1.00 0.00 C ATOM 1580 O ILE A 102 -1.160 -3.696 7.797 1.00 0.00 O ATOM 1581 CB ILE A 102 1.603 -4.260 9.040 1.00 0.00 C ATOM 1582 CG1 ILE A 102 3.133 -4.242 9.018 1.00 0.00 C ATOM 1583 CG2 ILE A 102 1.095 -5.248 10.080 1.00 0.00 C ATOM 1584 CD1 ILE A 102 3.750 -5.604 8.787 1.00 0.00 C ATOM 0 H ILE A 102 1.130 -2.697 6.809 1.00 0.00 H new ATOM 0 HA ILE A 102 1.458 -5.581 7.340 1.00 0.00 H new ATOM 0 HB ILE A 102 1.250 -3.265 9.310 1.00 0.00 H new ATOM 0 HG12 ILE A 102 3.469 -3.562 8.235 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.497 -3.843 9.965 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.493 -4.982 11.059 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.006 -5.216 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.422 -6.254 9.816 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.836 -5.515 8.784 1.00 0.00 H new ATOM 0 HD12 ILE A 102 3.444 -6.282 9.584 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.415 -5.997 7.827 1.00 0.00 H new ATOM 1596 N SER A 103 -0.981 -5.937 7.706 1.00 0.00 N ATOM 1597 CA SER A 103 -2.420 -6.164 7.771 1.00 0.00 C ATOM 1598 C SER A 103 -2.816 -6.758 9.120 1.00 0.00 C ATOM 1599 O SER A 103 -2.447 -7.887 9.448 1.00 0.00 O ATOM 1600 CB SER A 103 -2.862 -7.096 6.642 1.00 0.00 C ATOM 1601 OG SER A 103 -4.272 -7.238 6.619 1.00 0.00 O ATOM 0 H SER A 103 -0.422 -6.788 7.648 1.00 0.00 H new ATOM 0 HA SER A 103 -2.920 -5.202 7.656 1.00 0.00 H new ATOM 0 HB2 SER A 103 -2.518 -6.702 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.397 -8.074 6.770 1.00 0.00 H new ATOM 0 HG SER A 103 -4.529 -7.837 5.887 1.00 0.00 H new ATOM 1607 N THR A 104 -3.570 -5.990 9.900 1.00 0.00 N ATOM 1608 CA THR A 104 -4.016 -6.437 11.213 1.00 0.00 C ATOM 1609 C THR A 104 -5.530 -6.325 11.348 1.00 0.00 C ATOM 1610 O THR A 104 -6.078 -6.458 12.443 1.00 0.00 O ATOM 1611 CB THR A 104 -3.350 -5.624 12.339 1.00 0.00 C ATOM 1612 OG1 THR A 104 -3.934 -5.966 13.601 1.00 0.00 O ATOM 1613 CG2 THR A 104 -3.502 -4.131 12.092 1.00 0.00 C ATOM 0 H THR A 104 -3.885 -5.054 9.644 1.00 0.00 H new ATOM 0 HA THR A 104 -3.723 -7.483 11.307 1.00 0.00 H new ATOM 0 HB THR A 104 -2.288 -5.867 12.353 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.773 -6.449 13.453 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.024 -3.578 12.900 1.00 0.00 H new ATOM 0 HG22 THR A 104 -3.031 -3.869 11.145 1.00 0.00 H new ATOM 0 HG23 THR A 104 -4.561 -3.874 12.054 1.00 0.00 H new