USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 681 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 52 GLN : amide:sc= -0.434 K(o=-0.69,f=-1.2) USER MOD Set 1.2: A 116 MET CE :methyl 152:sc= 0 (180deg=-0.274) USER MOD Set 1.3: A 121 GLN : amide:sc= -0.26 X(o=-0.69,f=-0.7) USER MOD Single : A 43 HIS : no HD1:sc= -0.0469 X(o=-0.047,f=-0.42) USER MOD Single : A 47 LYS NZ :NH3+ 157:sc= -0.0375 (180deg=-0.796) USER MOD Single : A 60 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.9!) USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= -0.421 (180deg=-1.65) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 11:sc= 0.0925 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.465 USER MOD Single : A 86 HIS : no HD1:sc= -1.78 K(o=-1.8,f=-6.6!) USER MOD Single : A 87 LYS NZ :NH3+ 166:sc= -0.0148 (180deg=-0.168) USER MOD Single : A 89 CYS SG : rot -36:sc= -0.806! USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -17:sc= 0.46 USER MOD Single : A 95 CYS SG : rot 80:sc= -0.104 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.212 X(o=-0.21,f=-0.18) USER MOD Single : A 105 SER OG : rot -37:sc= 0.201 USER MOD Single : A 108 HIS : no HD1:sc= -0.0469 K(o=-0.047,f=-4.3!) USER MOD Single : A 110 GLN : amide:sc= -2.34! C(o=-2.3!,f=-2.4!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.29) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N ASP A 42 1.434 14.314 -6.839 1.00 0.00 N ATOM 136 CA ASP A 42 0.912 15.580 -6.336 1.00 0.00 C ATOM 137 C ASP A 42 1.807 16.138 -5.235 1.00 0.00 C ATOM 138 O ASP A 42 2.406 15.385 -4.466 1.00 0.00 O ATOM 139 CB ASP A 42 -0.512 15.396 -5.809 1.00 0.00 C ATOM 140 CG ASP A 42 -1.329 16.670 -5.890 1.00 0.00 C ATOM 141 OD1 ASP A 42 -1.420 17.248 -6.994 1.00 0.00 O ATOM 142 OD2 ASP A 42 -1.877 17.090 -4.850 1.00 0.00 O ATOM 0 HA ASP A 42 0.896 16.291 -7.162 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.009 14.612 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.472 15.059 -4.773 1.00 0.00 H new ATOM 147 N HIS A 43 1.894 17.463 -5.164 1.00 0.00 N ATOM 148 CA HIS A 43 2.717 18.122 -4.156 1.00 0.00 C ATOM 149 C HIS A 43 2.272 17.731 -2.750 1.00 0.00 C ATOM 150 O HIS A 43 3.097 17.550 -1.855 1.00 0.00 O ATOM 151 CB HIS A 43 2.646 19.640 -4.323 1.00 0.00 C ATOM 152 CG HIS A 43 3.342 20.396 -3.233 1.00 0.00 C ATOM 153 ND1 HIS A 43 2.721 20.768 -2.060 1.00 0.00 N ATOM 154 CD2 HIS A 43 4.615 20.848 -3.143 1.00 0.00 C ATOM 155 CE1 HIS A 43 3.581 21.417 -1.296 1.00 0.00 C ATOM 156 NE2 HIS A 43 4.738 21.479 -1.930 1.00 0.00 N ATOM 0 H HIS A 43 1.405 18.101 -5.792 1.00 0.00 H new ATOM 0 HA HIS A 43 3.748 17.797 -4.295 1.00 0.00 H new ATOM 0 HB2 HIS A 43 3.087 19.913 -5.282 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.600 19.945 -4.355 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.390 20.733 -3.887 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.373 21.827 -0.319 1.00 0.00 H new ATOM 0 HE2 HIS A 43 5.585 21.923 -1.576 1.00 0.00 H new ATOM 165 N ASP A 44 0.963 17.604 -2.564 1.00 0.00 N ATOM 166 CA ASP A 44 0.407 17.234 -1.267 1.00 0.00 C ATOM 167 C ASP A 44 -0.154 15.816 -1.301 1.00 0.00 C ATOM 168 O ASP A 44 -1.171 15.526 -0.672 1.00 0.00 O ATOM 169 CB ASP A 44 -0.688 18.220 -0.858 1.00 0.00 C ATOM 170 CG ASP A 44 -1.871 18.197 -1.806 1.00 0.00 C ATOM 171 OD1 ASP A 44 -1.698 18.584 -2.981 1.00 0.00 O ATOM 172 OD2 ASP A 44 -2.970 17.791 -1.374 1.00 0.00 O ATOM 0 H ASP A 44 0.267 17.752 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 44 1.210 17.270 -0.531 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.029 17.982 0.150 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.272 19.227 -0.825 1.00 0.00 H new ATOM 177 N ALA A 45 0.517 14.937 -2.039 1.00 0.00 N ATOM 178 CA ALA A 45 0.086 13.550 -2.153 1.00 0.00 C ATOM 179 C ALA A 45 0.143 12.844 -0.802 1.00 0.00 C ATOM 180 O ALA A 45 0.617 13.408 0.184 1.00 0.00 O ATOM 181 CB ALA A 45 0.943 12.813 -3.172 1.00 0.00 C ATOM 0 H ALA A 45 1.361 15.161 -2.566 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.950 13.544 -2.493 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.610 11.778 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.848 13.296 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.986 12.837 -2.855 1.00 0.00 H new ATOM 187 N ILE A 46 -0.343 11.608 -0.765 1.00 0.00 N ATOM 188 CA ILE A 46 -0.347 10.826 0.465 1.00 0.00 C ATOM 189 C ILE A 46 -0.036 9.360 0.185 1.00 0.00 C ATOM 190 O ILE A 46 -0.576 8.766 -0.749 1.00 0.00 O ATOM 191 CB ILE A 46 -1.702 10.922 1.190 1.00 0.00 C ATOM 192 CG1 ILE A 46 -2.169 12.378 1.254 1.00 0.00 C ATOM 193 CG2 ILE A 46 -1.598 10.332 2.588 1.00 0.00 C ATOM 194 CD1 ILE A 46 -3.615 12.531 1.671 1.00 0.00 C ATOM 0 H ILE A 46 -0.739 11.127 -1.572 1.00 0.00 H new ATOM 0 HA ILE A 46 0.429 11.244 1.106 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.439 10.348 0.628 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.537 12.923 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.031 12.839 0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.564 10.407 3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.305 9.284 2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.850 10.881 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.877 13.589 1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.256 12.014 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.755 12.100 2.662 1.00 0.00 H new ATOM 206 N LYS A 47 0.837 8.779 1.002 1.00 0.00 N ATOM 207 CA LYS A 47 1.219 7.381 0.845 1.00 0.00 C ATOM 208 C LYS A 47 0.360 6.480 1.728 1.00 0.00 C ATOM 209 O LYS A 47 0.299 6.662 2.944 1.00 0.00 O ATOM 210 CB LYS A 47 2.697 7.192 1.193 1.00 0.00 C ATOM 211 CG LYS A 47 3.124 5.737 1.267 1.00 0.00 C ATOM 212 CD LYS A 47 4.280 5.543 2.234 1.00 0.00 C ATOM 213 CE LYS A 47 5.623 5.686 1.533 1.00 0.00 C ATOM 214 NZ LYS A 47 5.892 7.095 1.135 1.00 0.00 N ATOM 0 H LYS A 47 1.293 9.256 1.780 1.00 0.00 H new ATOM 0 HA LYS A 47 1.058 7.102 -0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.305 7.703 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.900 7.670 2.151 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.279 5.125 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.416 5.392 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.209 6.274 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.211 4.556 2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.417 5.337 2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.641 5.049 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.917 7.236 1.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.419 7.297 0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.528 7.738 1.867 1.00 0.00 H new ATOM 228 N LEU A 48 -0.301 5.509 1.107 1.00 0.00 N ATOM 229 CA LEU A 48 -1.156 4.579 1.837 1.00 0.00 C ATOM 230 C LEU A 48 -0.386 3.319 2.221 1.00 0.00 C ATOM 231 O LEU A 48 0.147 2.618 1.360 1.00 0.00 O ATOM 232 CB LEU A 48 -2.376 4.207 0.993 1.00 0.00 C ATOM 233 CG LEU A 48 -3.505 5.238 0.955 1.00 0.00 C ATOM 234 CD1 LEU A 48 -4.577 4.820 -0.040 1.00 0.00 C ATOM 235 CD2 LEU A 48 -4.105 5.423 2.342 1.00 0.00 C ATOM 0 H LEU A 48 -0.261 5.345 0.101 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.490 5.071 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.044 4.024 -0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.781 3.268 1.370 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.089 6.192 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.372 5.566 -0.053 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.139 4.739 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.990 3.855 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.907 6.160 2.296 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.505 4.473 2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.333 5.769 3.029 1.00 0.00 H new ATOM 247 N PHE A 49 -0.335 3.035 3.518 1.00 0.00 N ATOM 248 CA PHE A 49 0.368 1.859 4.016 1.00 0.00 C ATOM 249 C PHE A 49 -0.618 0.771 4.431 1.00 0.00 C ATOM 250 O PHE A 49 -1.530 1.014 5.222 1.00 0.00 O ATOM 251 CB PHE A 49 1.260 2.235 5.201 1.00 0.00 C ATOM 252 CG PHE A 49 1.714 1.052 6.008 1.00 0.00 C ATOM 253 CD1 PHE A 49 2.858 0.355 5.656 1.00 0.00 C ATOM 254 CD2 PHE A 49 0.997 0.639 7.120 1.00 0.00 C ATOM 255 CE1 PHE A 49 3.278 -0.734 6.397 1.00 0.00 C ATOM 256 CE2 PHE A 49 1.412 -0.449 7.864 1.00 0.00 C ATOM 257 CZ PHE A 49 2.555 -1.136 7.503 1.00 0.00 C ATOM 0 H PHE A 49 -0.772 3.603 4.243 1.00 0.00 H new ATOM 0 HA PHE A 49 0.991 1.471 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 49 2.135 2.770 4.832 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.717 2.921 5.851 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.428 0.666 4.793 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.104 1.174 7.408 1.00 0.00 H new ATOM 0 HE1 PHE A 49 4.171 -1.270 6.111 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.843 -0.762 8.727 1.00 0.00 H new ATOM 0 HZ PHE A 49 2.882 -1.985 8.084 1.00 0.00 H new ATOM 267 N VAL A 50 -0.428 -0.429 3.892 1.00 0.00 N ATOM 268 CA VAL A 50 -1.300 -1.555 4.206 1.00 0.00 C ATOM 269 C VAL A 50 -0.603 -2.549 5.129 1.00 0.00 C ATOM 270 O VAL A 50 0.540 -2.936 4.891 1.00 0.00 O ATOM 271 CB VAL A 50 -1.753 -2.287 2.929 1.00 0.00 C ATOM 272 CG1 VAL A 50 -2.807 -3.333 3.259 1.00 0.00 C ATOM 273 CG2 VAL A 50 -2.279 -1.293 1.904 1.00 0.00 C ATOM 0 H VAL A 50 0.322 -0.647 3.236 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.175 -1.147 4.711 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.892 -2.797 2.498 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.115 -3.840 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.391 -4.061 3.955 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.671 -2.848 3.714 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.595 -1.827 1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.128 -0.753 2.323 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.491 -0.585 1.646 1.00 0.00 H new ATOM 283 N GLY A 51 -1.301 -2.959 6.183 1.00 0.00 N ATOM 284 CA GLY A 51 -0.733 -3.905 7.126 1.00 0.00 C ATOM 285 C GLY A 51 -1.635 -5.099 7.363 1.00 0.00 C ATOM 286 O GLY A 51 -1.716 -5.612 8.479 1.00 0.00 O ATOM 0 H GLY A 51 -2.249 -2.653 6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.231 -4.250 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.546 -3.401 8.074 1.00 0.00 H new ATOM 290 N GLN A 52 -2.317 -5.542 6.312 1.00 0.00 N ATOM 291 CA GLN A 52 -3.220 -6.683 6.412 1.00 0.00 C ATOM 292 C GLN A 52 -3.015 -7.644 5.247 1.00 0.00 C ATOM 293 O GLN A 52 -3.977 -8.170 4.686 1.00 0.00 O ATOM 294 CB GLN A 52 -4.674 -6.207 6.447 1.00 0.00 C ATOM 295 CG GLN A 52 -5.117 -5.703 7.810 1.00 0.00 C ATOM 296 CD GLN A 52 -5.108 -6.790 8.866 1.00 0.00 C ATOM 297 OE1 GLN A 52 -5.501 -7.928 8.606 1.00 0.00 O ATOM 298 NE2 GLN A 52 -4.657 -6.446 10.067 1.00 0.00 N ATOM 0 H GLN A 52 -2.262 -5.128 5.381 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.995 -7.212 7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -4.804 -5.410 5.715 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.324 -7.028 6.144 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.460 -4.892 8.124 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.122 -5.288 7.730 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.341 -5.492 10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.627 -7.136 10.817 1.00 0.00 H new ATOM 307 N ILE A 53 -1.756 -7.869 4.887 1.00 0.00 N ATOM 308 CA ILE A 53 -1.424 -8.768 3.788 1.00 0.00 C ATOM 309 C ILE A 53 -0.817 -10.068 4.305 1.00 0.00 C ATOM 310 O ILE A 53 0.253 -10.083 4.915 1.00 0.00 O ATOM 311 CB ILE A 53 -0.441 -8.112 2.801 1.00 0.00 C ATOM 312 CG1 ILE A 53 -0.967 -6.746 2.355 1.00 0.00 C ATOM 313 CG2 ILE A 53 -0.216 -9.017 1.598 1.00 0.00 C ATOM 314 CD1 ILE A 53 0.078 -5.889 1.675 1.00 0.00 C ATOM 0 H ILE A 53 -0.949 -7.441 5.340 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.356 -8.987 3.267 1.00 0.00 H new ATOM 0 HB ILE A 53 0.514 -7.966 3.306 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.805 -6.893 1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.353 -6.213 3.224 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.481 -8.540 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 53 0.197 -9.969 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.165 -9.191 1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.365 -4.936 1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.906 -5.711 2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.447 -6.402 0.787 1.00 0.00 H new ATOM 326 N PRO A 54 -1.514 -11.187 4.056 1.00 0.00 N ATOM 327 CA PRO A 54 -1.061 -12.513 4.486 1.00 0.00 C ATOM 328 C PRO A 54 0.165 -12.986 3.711 1.00 0.00 C ATOM 329 O PRO A 54 0.837 -12.195 3.050 1.00 0.00 O ATOM 330 CB PRO A 54 -2.263 -13.412 4.186 1.00 0.00 C ATOM 331 CG PRO A 54 -2.995 -12.714 3.093 1.00 0.00 C ATOM 332 CD PRO A 54 -2.796 -11.243 3.335 1.00 0.00 C ATOM 0 HA PRO A 54 -0.756 -12.521 5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.945 -14.408 3.877 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.893 -13.538 5.067 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.608 -13.005 2.116 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.054 -12.972 3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.756 -10.684 2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.608 -10.819 3.926 1.00 0.00 H new ATOM 340 N ARG A 55 0.450 -14.281 3.798 1.00 0.00 N ATOM 341 CA ARG A 55 1.595 -14.860 3.106 1.00 0.00 C ATOM 342 C ARG A 55 1.141 -15.741 1.946 1.00 0.00 C ATOM 343 O ARG A 55 0.441 -16.733 2.143 1.00 0.00 O ATOM 344 CB ARG A 55 2.446 -15.677 4.079 1.00 0.00 C ATOM 345 CG ARG A 55 3.539 -16.487 3.400 1.00 0.00 C ATOM 346 CD ARG A 55 4.814 -15.675 3.235 1.00 0.00 C ATOM 347 NE ARG A 55 5.301 -15.157 4.510 1.00 0.00 N ATOM 348 CZ ARG A 55 6.059 -15.857 5.347 1.00 0.00 C ATOM 349 NH1 ARG A 55 6.416 -17.097 5.044 1.00 0.00 N ATOM 350 NH2 ARG A 55 6.463 -15.315 6.489 1.00 0.00 N ATOM 0 H ARG A 55 -0.097 -14.949 4.341 1.00 0.00 H new ATOM 0 HA ARG A 55 2.196 -14.044 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.902 -15.003 4.804 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.798 -16.353 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.749 -17.381 3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 55 3.191 -16.822 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.584 -16.297 2.779 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.630 -14.845 2.553 1.00 0.00 H new ATOM 0 HE ARG A 55 5.045 -14.205 4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 55 6.109 -17.516 4.166 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.998 -17.632 5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.192 -14.360 6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 55 7.045 -15.853 7.131 1.00 0.00 H new ATOM 364 N GLY A 56 1.546 -15.371 0.734 1.00 0.00 N ATOM 365 CA GLY A 56 1.171 -16.138 -0.439 1.00 0.00 C ATOM 366 C GLY A 56 0.808 -15.255 -1.617 1.00 0.00 C ATOM 367 O GLY A 56 0.955 -15.657 -2.772 1.00 0.00 O ATOM 0 H GLY A 56 2.127 -14.554 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.996 -16.793 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.324 -16.779 -0.195 1.00 0.00 H new ATOM 371 N LEU A 57 0.332 -14.049 -1.326 1.00 0.00 N ATOM 372 CA LEU A 57 -0.054 -13.107 -2.370 1.00 0.00 C ATOM 373 C LEU A 57 1.042 -12.072 -2.604 1.00 0.00 C ATOM 374 O LEU A 57 2.010 -11.998 -1.846 1.00 0.00 O ATOM 375 CB LEU A 57 -1.361 -12.406 -1.994 1.00 0.00 C ATOM 376 CG LEU A 57 -2.546 -13.320 -1.678 1.00 0.00 C ATOM 377 CD1 LEU A 57 -3.732 -12.505 -1.188 1.00 0.00 C ATOM 378 CD2 LEU A 57 -2.928 -14.140 -2.901 1.00 0.00 C ATOM 0 H LEU A 57 0.204 -13.701 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.201 -13.667 -3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.174 -11.774 -1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.645 -11.746 -2.814 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.250 -14.006 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.566 -13.172 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.453 -11.963 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.029 -11.795 -1.960 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.773 -14.784 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.205 -13.471 -3.716 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.080 -14.753 -3.207 1.00 0.00 H new ATOM 390 N ASP A 58 0.882 -11.275 -3.654 1.00 0.00 N ATOM 391 CA ASP A 58 1.857 -10.242 -3.985 1.00 0.00 C ATOM 392 C ASP A 58 1.163 -8.989 -4.509 1.00 0.00 C ATOM 393 O ASP A 58 -0.065 -8.907 -4.521 1.00 0.00 O ATOM 394 CB ASP A 58 2.850 -10.763 -5.025 1.00 0.00 C ATOM 395 CG ASP A 58 3.538 -12.039 -4.581 1.00 0.00 C ATOM 396 OD1 ASP A 58 4.436 -11.958 -3.718 1.00 0.00 O ATOM 397 OD2 ASP A 58 3.178 -13.118 -5.097 1.00 0.00 O ATOM 0 H ASP A 58 0.087 -11.324 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 58 2.399 -9.982 -3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.327 -10.944 -5.964 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.601 -9.998 -5.221 1.00 0.00 H new ATOM 402 N GLU A 59 1.958 -8.015 -4.941 1.00 0.00 N ATOM 403 CA GLU A 59 1.419 -6.765 -5.464 1.00 0.00 C ATOM 404 C GLU A 59 0.507 -7.024 -6.659 1.00 0.00 C ATOM 405 O GLU A 59 -0.319 -6.184 -7.015 1.00 0.00 O ATOM 406 CB GLU A 59 2.556 -5.824 -5.870 1.00 0.00 C ATOM 407 CG GLU A 59 3.578 -5.595 -4.770 1.00 0.00 C ATOM 408 CD GLU A 59 3.031 -4.759 -3.629 1.00 0.00 C ATOM 409 OE1 GLU A 59 1.852 -4.951 -3.265 1.00 0.00 O ATOM 410 OE2 GLU A 59 3.783 -3.914 -3.100 1.00 0.00 O ATOM 0 H GLU A 59 2.977 -8.067 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 59 0.831 -6.294 -4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.061 -6.234 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.133 -4.864 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.911 -6.558 -4.383 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.454 -5.100 -5.190 1.00 0.00 H new ATOM 417 N GLN A 60 0.665 -8.191 -7.275 1.00 0.00 N ATOM 418 CA GLN A 60 -0.144 -8.560 -8.431 1.00 0.00 C ATOM 419 C GLN A 60 -1.596 -8.795 -8.027 1.00 0.00 C ATOM 420 O GLN A 60 -2.496 -8.763 -8.866 1.00 0.00 O ATOM 421 CB GLN A 60 0.423 -9.816 -9.096 1.00 0.00 C ATOM 422 CG GLN A 60 -0.282 -10.189 -10.390 1.00 0.00 C ATOM 423 CD GLN A 60 -1.465 -11.110 -10.166 1.00 0.00 C ATOM 424 OE1 GLN A 60 -1.516 -11.845 -9.179 1.00 0.00 O ATOM 425 NE2 GLN A 60 -2.425 -11.075 -11.083 1.00 0.00 N ATOM 0 H GLN A 60 1.345 -8.897 -6.993 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.114 -7.735 -9.143 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.483 -9.662 -9.300 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.351 -10.651 -8.399 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.622 -9.281 -10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.429 -10.673 -11.060 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.341 -10.451 -11.885 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.246 -11.673 -10.985 1.00 0.00 H new ATOM 434 N ASP A 61 -1.815 -9.032 -6.739 1.00 0.00 N ATOM 435 CA ASP A 61 -3.158 -9.272 -6.224 1.00 0.00 C ATOM 436 C ASP A 61 -3.734 -8.007 -5.595 1.00 0.00 C ATOM 437 O ASP A 61 -4.950 -7.866 -5.460 1.00 0.00 O ATOM 438 CB ASP A 61 -3.138 -10.404 -5.195 1.00 0.00 C ATOM 439 CG ASP A 61 -4.532 -10.859 -4.808 1.00 0.00 C ATOM 440 OD1 ASP A 61 -5.259 -10.067 -4.174 1.00 0.00 O ATOM 441 OD2 ASP A 61 -4.894 -12.008 -5.138 1.00 0.00 O ATOM 0 H ASP A 61 -1.080 -9.063 -6.032 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.794 -9.562 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.582 -11.250 -5.600 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.607 -10.071 -4.303 1.00 0.00 H new ATOM 446 N LEU A 62 -2.852 -7.090 -5.212 1.00 0.00 N ATOM 447 CA LEU A 62 -3.272 -5.836 -4.596 1.00 0.00 C ATOM 448 C LEU A 62 -3.491 -4.757 -5.652 1.00 0.00 C ATOM 449 O LEU A 62 -4.415 -3.950 -5.550 1.00 0.00 O ATOM 450 CB LEU A 62 -2.227 -5.368 -3.582 1.00 0.00 C ATOM 451 CG LEU A 62 -1.937 -6.327 -2.427 1.00 0.00 C ATOM 452 CD1 LEU A 62 -0.696 -5.885 -1.665 1.00 0.00 C ATOM 453 CD2 LEU A 62 -3.135 -6.415 -1.493 1.00 0.00 C ATOM 0 H LEU A 62 -1.842 -7.191 -5.317 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.216 -6.011 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.294 -5.178 -4.113 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.556 -4.416 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.751 -7.318 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.505 -6.579 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.160 -5.874 -2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.853 -4.884 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.911 -7.102 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.353 -5.427 -1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.001 -6.779 -2.046 1.00 0.00 H new ATOM 465 N LYS A 63 -2.635 -4.750 -6.669 1.00 0.00 N ATOM 466 CA LYS A 63 -2.735 -3.773 -7.747 1.00 0.00 C ATOM 467 C LYS A 63 -4.170 -3.669 -8.255 1.00 0.00 C ATOM 468 O LYS A 63 -4.714 -2.578 -8.429 1.00 0.00 O ATOM 469 CB LYS A 63 -1.802 -4.156 -8.898 1.00 0.00 C ATOM 470 CG LYS A 63 -0.445 -3.477 -8.833 1.00 0.00 C ATOM 471 CD LYS A 63 -0.448 -2.152 -9.577 1.00 0.00 C ATOM 472 CE LYS A 63 -0.058 -2.331 -11.036 1.00 0.00 C ATOM 473 NZ LYS A 63 -1.197 -2.825 -11.858 1.00 0.00 N ATOM 0 H LYS A 63 -1.864 -5.410 -6.769 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.436 -2.802 -7.353 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.659 -5.237 -8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.281 -3.901 -9.843 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.170 -3.310 -7.791 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.312 -4.134 -9.261 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.439 -1.702 -9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.245 -1.462 -9.096 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.294 -1.381 -11.437 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.772 -3.034 -11.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.129 -2.431 -12.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.165 -3.863 -11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.094 -2.526 -11.424 1.00 0.00 H new ATOM 487 N PRO A 64 -4.799 -4.828 -8.496 1.00 0.00 N ATOM 488 CA PRO A 64 -6.179 -4.893 -8.985 1.00 0.00 C ATOM 489 C PRO A 64 -7.119 -3.992 -8.191 1.00 0.00 C ATOM 490 O PRO A 64 -7.808 -3.143 -8.757 1.00 0.00 O ATOM 491 CB PRO A 64 -6.556 -6.364 -8.790 1.00 0.00 C ATOM 492 CG PRO A 64 -5.260 -7.096 -8.837 1.00 0.00 C ATOM 493 CD PRO A 64 -4.211 -6.166 -8.311 1.00 0.00 C ATOM 0 HA PRO A 64 -6.262 -4.551 -10.017 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.064 -6.520 -7.838 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.233 -6.706 -9.573 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.308 -8.003 -8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -5.027 -7.402 -9.857 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.991 -6.364 -7.262 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.274 -6.270 -8.858 1.00 0.00 H new ATOM 501 N LEU A 65 -7.142 -4.182 -6.876 1.00 0.00 N ATOM 502 CA LEU A 65 -7.997 -3.386 -6.003 1.00 0.00 C ATOM 503 C LEU A 65 -7.604 -1.913 -6.052 1.00 0.00 C ATOM 504 O LEU A 65 -8.450 -1.040 -6.249 1.00 0.00 O ATOM 505 CB LEU A 65 -7.911 -3.900 -4.565 1.00 0.00 C ATOM 506 CG LEU A 65 -8.745 -5.141 -4.245 1.00 0.00 C ATOM 507 CD1 LEU A 65 -8.295 -5.764 -2.933 1.00 0.00 C ATOM 508 CD2 LEU A 65 -10.225 -4.790 -4.191 1.00 0.00 C ATOM 0 H LEU A 65 -6.578 -4.880 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.024 -3.482 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.867 -4.121 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.218 -3.097 -3.894 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.594 -5.871 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.900 -6.646 -2.722 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.247 -6.053 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.415 -5.041 -2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.803 -5.685 -3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.393 -4.042 -3.417 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -10.540 -4.391 -5.155 1.00 0.00 H new ATOM 520 N PHE A 66 -6.315 -1.643 -5.873 1.00 0.00 N ATOM 521 CA PHE A 66 -5.809 -0.275 -5.899 1.00 0.00 C ATOM 522 C PHE A 66 -6.100 0.387 -7.242 1.00 0.00 C ATOM 523 O PHE A 66 -6.191 1.611 -7.335 1.00 0.00 O ATOM 524 CB PHE A 66 -4.304 -0.261 -5.625 1.00 0.00 C ATOM 525 CG PHE A 66 -3.937 -0.781 -4.264 1.00 0.00 C ATOM 526 CD1 PHE A 66 -4.696 -0.449 -3.154 1.00 0.00 C ATOM 527 CD2 PHE A 66 -2.833 -1.602 -4.097 1.00 0.00 C ATOM 528 CE1 PHE A 66 -4.360 -0.926 -1.901 1.00 0.00 C ATOM 529 CE2 PHE A 66 -2.493 -2.082 -2.846 1.00 0.00 C ATOM 530 CZ PHE A 66 -3.258 -1.744 -1.747 1.00 0.00 C ATOM 0 H PHE A 66 -5.602 -2.353 -5.708 1.00 0.00 H new ATOM 0 HA PHE A 66 -6.319 0.290 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.799 -0.861 -6.382 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.934 0.759 -5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.560 0.189 -3.269 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.232 -1.870 -4.953 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.959 -0.659 -1.043 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.630 -2.721 -2.728 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.995 -2.119 -0.769 1.00 0.00 H new ATOM 540 N GLU A 67 -6.243 -0.431 -8.280 1.00 0.00 N ATOM 541 CA GLU A 67 -6.522 0.076 -9.619 1.00 0.00 C ATOM 542 C GLU A 67 -8.022 0.264 -9.828 1.00 0.00 C ATOM 543 O GLU A 67 -8.461 0.688 -10.896 1.00 0.00 O ATOM 544 CB GLU A 67 -5.964 -0.879 -10.676 1.00 0.00 C ATOM 545 CG GLU A 67 -4.480 -0.693 -10.942 1.00 0.00 C ATOM 546 CD GLU A 67 -4.088 -1.080 -12.355 1.00 0.00 C ATOM 547 OE1 GLU A 67 -4.287 -2.256 -12.725 1.00 0.00 O ATOM 548 OE2 GLU A 67 -3.582 -0.207 -13.091 1.00 0.00 O ATOM 0 H GLU A 67 -6.170 -1.447 -8.220 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.034 1.045 -9.722 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.141 -1.906 -10.356 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.512 -0.737 -11.607 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -4.211 0.349 -10.767 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.910 -1.293 -10.233 1.00 0.00 H new ATOM 555 N GLU A 68 -8.801 -0.055 -8.799 1.00 0.00 N ATOM 556 CA GLU A 68 -10.252 0.078 -8.871 1.00 0.00 C ATOM 557 C GLU A 68 -10.691 1.478 -8.452 1.00 0.00 C ATOM 558 O GLU A 68 -11.788 1.924 -8.790 1.00 0.00 O ATOM 559 CB GLU A 68 -10.926 -0.968 -7.982 1.00 0.00 C ATOM 560 CG GLU A 68 -12.411 -1.136 -8.258 1.00 0.00 C ATOM 561 CD GLU A 68 -12.689 -1.650 -9.658 1.00 0.00 C ATOM 562 OE1 GLU A 68 -11.896 -2.474 -10.156 1.00 0.00 O ATOM 563 OE2 GLU A 68 -13.702 -1.226 -10.254 1.00 0.00 O ATOM 0 H GLU A 68 -8.453 -0.407 -7.907 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.556 -0.085 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.428 -1.927 -8.123 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.789 -0.688 -6.938 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.836 -1.827 -7.530 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.913 -0.178 -8.120 1.00 0.00 H new ATOM 570 N PHE A 69 -9.827 2.166 -7.713 1.00 0.00 N ATOM 571 CA PHE A 69 -10.126 3.515 -7.245 1.00 0.00 C ATOM 572 C PHE A 69 -9.442 4.559 -8.123 1.00 0.00 C ATOM 573 O PHE A 69 -10.035 5.579 -8.471 1.00 0.00 O ATOM 574 CB PHE A 69 -9.681 3.683 -5.791 1.00 0.00 C ATOM 575 CG PHE A 69 -10.356 2.734 -4.843 1.00 0.00 C ATOM 576 CD1 PHE A 69 -11.611 3.020 -4.332 1.00 0.00 C ATOM 577 CD2 PHE A 69 -9.736 1.554 -4.465 1.00 0.00 C ATOM 578 CE1 PHE A 69 -12.234 2.148 -3.459 1.00 0.00 C ATOM 579 CE2 PHE A 69 -10.354 0.678 -3.593 1.00 0.00 C ATOM 580 CZ PHE A 69 -11.605 0.975 -3.090 1.00 0.00 C ATOM 0 H PHE A 69 -8.915 1.812 -7.425 1.00 0.00 H new ATOM 0 HA PHE A 69 -11.204 3.664 -7.307 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.602 3.538 -5.731 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -9.883 4.706 -5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -12.109 3.935 -4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.758 1.316 -4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.212 2.384 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -9.859 -0.238 -3.305 1.00 0.00 H new ATOM 0 HZ PHE A 69 -12.091 0.291 -2.409 1.00 0.00 H new ATOM 590 N GLY A 70 -8.187 4.296 -8.476 1.00 0.00 N ATOM 591 CA GLY A 70 -7.442 5.221 -9.309 1.00 0.00 C ATOM 592 C GLY A 70 -6.083 4.678 -9.706 1.00 0.00 C ATOM 593 O GLY A 70 -5.680 3.606 -9.255 1.00 0.00 O ATOM 0 H GLY A 70 -7.674 3.459 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.018 5.441 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.312 6.162 -8.775 1.00 0.00 H new ATOM 597 N ARG A 71 -5.377 5.419 -10.554 1.00 0.00 N ATOM 598 CA ARG A 71 -4.057 5.004 -11.014 1.00 0.00 C ATOM 599 C ARG A 71 -3.040 5.069 -9.879 1.00 0.00 C ATOM 600 O ARG A 71 -3.001 6.040 -9.122 1.00 0.00 O ATOM 601 CB ARG A 71 -3.598 5.887 -12.176 1.00 0.00 C ATOM 602 CG ARG A 71 -2.655 5.184 -13.139 1.00 0.00 C ATOM 603 CD ARG A 71 -3.400 4.211 -14.039 1.00 0.00 C ATOM 604 NE ARG A 71 -3.918 4.862 -15.239 1.00 0.00 N ATOM 605 CZ ARG A 71 -4.570 4.218 -16.200 1.00 0.00 C ATOM 606 NH1 ARG A 71 -4.783 2.913 -16.103 1.00 0.00 N ATOM 607 NH2 ARG A 71 -5.012 4.880 -17.263 1.00 0.00 N ATOM 0 H ARG A 71 -5.697 6.309 -10.936 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.127 3.972 -11.357 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.473 6.234 -12.726 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -3.102 6.771 -11.776 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.139 5.925 -13.750 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.891 4.648 -12.576 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -2.732 3.399 -14.327 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -4.225 3.763 -13.485 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.771 5.866 -15.345 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.446 2.400 -15.288 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.284 2.422 -16.843 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.851 5.884 -17.342 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.513 4.384 -18.001 1.00 0.00 H new ATOM 621 N ILE A 72 -2.219 4.031 -9.767 1.00 0.00 N ATOM 622 CA ILE A 72 -1.202 3.971 -8.724 1.00 0.00 C ATOM 623 C ILE A 72 0.093 4.635 -9.181 1.00 0.00 C ATOM 624 O ILE A 72 0.358 4.743 -10.378 1.00 0.00 O ATOM 625 CB ILE A 72 -0.902 2.518 -8.312 1.00 0.00 C ATOM 626 CG1 ILE A 72 -2.168 1.846 -7.774 1.00 0.00 C ATOM 627 CG2 ILE A 72 0.207 2.480 -7.272 1.00 0.00 C ATOM 628 CD1 ILE A 72 -2.131 0.336 -7.853 1.00 0.00 C ATOM 0 H ILE A 72 -2.238 3.220 -10.385 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.601 4.509 -7.864 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.567 1.968 -9.192 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.314 2.144 -6.736 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.029 2.210 -8.335 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.407 1.446 -6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.111 2.925 -7.688 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.101 3.042 -6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.060 -0.072 -7.455 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.016 0.029 -8.892 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.290 -0.038 -7.269 1.00 0.00 H new ATOM 640 N TYR A 73 0.896 5.076 -8.220 1.00 0.00 N ATOM 641 CA TYR A 73 2.164 5.730 -8.523 1.00 0.00 C ATOM 642 C TYR A 73 3.341 4.827 -8.167 1.00 0.00 C ATOM 643 O TYR A 73 4.244 4.619 -8.977 1.00 0.00 O ATOM 644 CB TYR A 73 2.274 7.053 -7.763 1.00 0.00 C ATOM 645 CG TYR A 73 3.541 7.821 -8.064 1.00 0.00 C ATOM 646 CD1 TYR A 73 4.765 7.408 -7.552 1.00 0.00 C ATOM 647 CD2 TYR A 73 3.514 8.959 -8.861 1.00 0.00 C ATOM 648 CE1 TYR A 73 5.925 8.107 -7.824 1.00 0.00 C ATOM 649 CE2 TYR A 73 4.670 9.663 -9.139 1.00 0.00 C ATOM 650 CZ TYR A 73 5.873 9.233 -8.618 1.00 0.00 C ATOM 651 OH TYR A 73 7.025 9.933 -8.892 1.00 0.00 O ATOM 0 H TYR A 73 0.692 4.993 -7.224 1.00 0.00 H new ATOM 0 HA TYR A 73 2.194 5.930 -9.594 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.414 7.676 -8.009 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.226 6.852 -6.693 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.810 6.526 -6.931 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.574 9.299 -9.270 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.868 7.773 -7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 73 4.632 10.545 -9.761 1.00 0.00 H new ATOM 0 HH TYR A 73 6.814 10.699 -9.466 1.00 0.00 H new ATOM 661 N GLU A 74 3.323 4.293 -6.949 1.00 0.00 N ATOM 662 CA GLU A 74 4.389 3.413 -6.486 1.00 0.00 C ATOM 663 C GLU A 74 3.835 2.322 -5.573 1.00 0.00 C ATOM 664 O GLU A 74 2.973 2.580 -4.731 1.00 0.00 O ATOM 665 CB GLU A 74 5.460 4.217 -5.747 1.00 0.00 C ATOM 666 CG GLU A 74 6.511 3.354 -5.070 1.00 0.00 C ATOM 667 CD GLU A 74 7.564 4.173 -4.350 1.00 0.00 C ATOM 668 OE1 GLU A 74 7.247 4.740 -3.283 1.00 0.00 O ATOM 669 OE2 GLU A 74 8.705 4.249 -4.853 1.00 0.00 O ATOM 0 H GLU A 74 2.583 4.455 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 74 4.839 2.939 -7.358 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.952 4.886 -6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.978 4.844 -4.996 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.025 2.688 -4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.994 2.724 -5.817 1.00 0.00 H new ATOM 676 N LEU A 75 4.336 1.104 -5.745 1.00 0.00 N ATOM 677 CA LEU A 75 3.892 -0.027 -4.937 1.00 0.00 C ATOM 678 C LEU A 75 5.058 -0.956 -4.615 1.00 0.00 C ATOM 679 O LEU A 75 5.711 -1.486 -5.514 1.00 0.00 O ATOM 680 CB LEU A 75 2.795 -0.801 -5.668 1.00 0.00 C ATOM 681 CG LEU A 75 2.263 -2.046 -4.956 1.00 0.00 C ATOM 682 CD1 LEU A 75 1.845 -1.709 -3.534 1.00 0.00 C ATOM 683 CD2 LEU A 75 1.098 -2.646 -5.729 1.00 0.00 C ATOM 0 H LEU A 75 5.050 0.874 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 75 3.491 0.361 -4.001 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.959 -0.125 -5.848 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.178 -1.101 -6.644 1.00 0.00 H new ATOM 0 HG LEU A 75 3.062 -2.786 -4.912 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.469 -2.607 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.704 -1.327 -2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 75 1.061 -0.952 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.733 -3.531 -5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.296 -1.912 -5.805 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.430 -2.925 -6.729 1.00 0.00 H new ATOM 695 N THR A 76 5.313 -1.152 -3.325 1.00 0.00 N ATOM 696 CA THR A 76 6.399 -2.018 -2.883 1.00 0.00 C ATOM 697 C THR A 76 6.022 -2.766 -1.609 1.00 0.00 C ATOM 698 O THR A 76 5.545 -2.168 -0.644 1.00 0.00 O ATOM 699 CB THR A 76 7.690 -1.217 -2.632 1.00 0.00 C ATOM 700 OG1 THR A 76 8.314 -0.889 -3.878 1.00 0.00 O ATOM 701 CG2 THR A 76 8.659 -2.009 -1.767 1.00 0.00 C ATOM 0 H THR A 76 4.782 -0.722 -2.568 1.00 0.00 H new ATOM 0 HA THR A 76 6.576 -2.736 -3.684 1.00 0.00 H new ATOM 0 HB THR A 76 7.425 -0.299 -2.107 1.00 0.00 H new ATOM 0 HG1 THR A 76 7.701 -1.093 -4.615 1.00 0.00 H new ATOM 0 HG21 THR A 76 9.563 -1.423 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.192 -2.231 -0.807 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.917 -2.941 -2.270 1.00 0.00 H new ATOM 709 N VAL A 77 6.239 -4.077 -1.612 1.00 0.00 N ATOM 710 CA VAL A 77 5.924 -4.907 -0.455 1.00 0.00 C ATOM 711 C VAL A 77 7.065 -4.896 0.556 1.00 0.00 C ATOM 712 O VAL A 77 8.236 -4.999 0.189 1.00 0.00 O ATOM 713 CB VAL A 77 5.634 -6.362 -0.870 1.00 0.00 C ATOM 714 CG1 VAL A 77 5.151 -7.172 0.323 1.00 0.00 C ATOM 715 CG2 VAL A 77 4.615 -6.401 -1.999 1.00 0.00 C ATOM 0 H VAL A 77 6.632 -4.588 -2.403 1.00 0.00 H new ATOM 0 HA VAL A 77 5.031 -4.484 0.005 1.00 0.00 H new ATOM 0 HB VAL A 77 6.560 -6.809 -1.231 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.951 -8.197 0.010 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.918 -7.172 1.097 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.237 -6.729 0.718 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.422 -7.436 -2.279 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.687 -5.936 -1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.005 -5.859 -2.860 1.00 0.00 H new ATOM 725 N LEU A 78 6.715 -4.772 1.832 1.00 0.00 N ATOM 726 CA LEU A 78 7.710 -4.748 2.898 1.00 0.00 C ATOM 727 C LEU A 78 7.988 -6.156 3.415 1.00 0.00 C ATOM 728 O LEU A 78 7.067 -6.894 3.766 1.00 0.00 O ATOM 729 CB LEU A 78 7.235 -3.855 4.046 1.00 0.00 C ATOM 730 CG LEU A 78 7.245 -2.351 3.775 1.00 0.00 C ATOM 731 CD1 LEU A 78 6.196 -1.648 4.624 1.00 0.00 C ATOM 732 CD2 LEU A 78 8.626 -1.770 4.041 1.00 0.00 C ATOM 0 H LEU A 78 5.751 -4.687 2.153 1.00 0.00 H new ATOM 0 HA LEU A 78 8.635 -4.342 2.489 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.220 -4.149 4.312 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.862 -4.051 4.916 1.00 0.00 H new ATOM 0 HG LEU A 78 7.001 -2.189 2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.218 -0.578 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.209 -2.044 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.408 -1.818 5.679 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.614 -0.698 3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.899 -1.944 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.355 -2.251 3.389 1.00 0.00 H new ATOM 744 N LYS A 79 9.265 -6.522 3.462 1.00 0.00 N ATOM 745 CA LYS A 79 9.666 -7.840 3.940 1.00 0.00 C ATOM 746 C LYS A 79 10.707 -7.723 5.048 1.00 0.00 C ATOM 747 O LYS A 79 11.136 -6.623 5.396 1.00 0.00 O ATOM 748 CB LYS A 79 10.225 -8.675 2.785 1.00 0.00 C ATOM 749 CG LYS A 79 9.265 -8.817 1.617 1.00 0.00 C ATOM 750 CD LYS A 79 9.727 -9.889 0.643 1.00 0.00 C ATOM 751 CE LYS A 79 8.708 -10.114 -0.463 1.00 0.00 C ATOM 752 NZ LYS A 79 9.287 -10.874 -1.605 1.00 0.00 N ATOM 0 H LYS A 79 10.040 -5.924 3.175 1.00 0.00 H new ATOM 0 HA LYS A 79 8.784 -8.336 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.149 -8.218 2.431 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.482 -9.667 3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.271 -9.066 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.180 -7.863 1.096 1.00 0.00 H new ATOM 0 HD2 LYS A 79 10.682 -9.597 0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.894 -10.822 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.852 -10.657 -0.063 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.338 -9.152 -0.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.561 -11.006 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.088 -10.345 -2.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.617 -11.803 -1.272 1.00 0.00 H new ATOM 766 N ASP A 80 11.111 -8.864 5.597 1.00 0.00 N ATOM 767 CA ASP A 80 12.104 -8.889 6.664 1.00 0.00 C ATOM 768 C ASP A 80 13.505 -8.653 6.108 1.00 0.00 C ATOM 769 O ASP A 80 13.713 -8.672 4.895 1.00 0.00 O ATOM 770 CB ASP A 80 12.054 -10.227 7.404 1.00 0.00 C ATOM 771 CG ASP A 80 11.012 -10.241 8.505 1.00 0.00 C ATOM 772 OD1 ASP A 80 10.996 -9.294 9.319 1.00 0.00 O ATOM 773 OD2 ASP A 80 10.212 -11.199 8.553 1.00 0.00 O ATOM 0 H ASP A 80 10.766 -9.783 5.320 1.00 0.00 H new ATOM 0 HA ASP A 80 11.871 -8.086 7.364 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.838 -11.024 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.034 -10.439 7.832 1.00 0.00 H new ATOM 778 N ARG A 81 14.462 -8.431 7.003 1.00 0.00 N ATOM 779 CA ARG A 81 15.842 -8.190 6.602 1.00 0.00 C ATOM 780 C ARG A 81 16.726 -9.385 6.946 1.00 0.00 C ATOM 781 O ARG A 81 17.540 -9.824 6.132 1.00 0.00 O ATOM 782 CB ARG A 81 16.381 -6.931 7.284 1.00 0.00 C ATOM 783 CG ARG A 81 16.065 -5.648 6.532 1.00 0.00 C ATOM 784 CD ARG A 81 17.038 -5.420 5.386 1.00 0.00 C ATOM 785 NE ARG A 81 16.684 -4.246 4.593 1.00 0.00 N ATOM 786 CZ ARG A 81 16.930 -2.998 4.977 1.00 0.00 C ATOM 787 NH1 ARG A 81 17.528 -2.764 6.137 1.00 0.00 N ATOM 788 NH2 ARG A 81 16.578 -1.982 4.200 1.00 0.00 N ATOM 0 H ARG A 81 14.306 -8.413 8.011 1.00 0.00 H new ATOM 0 HA ARG A 81 15.860 -8.046 5.522 1.00 0.00 H new ATOM 0 HB2 ARG A 81 15.964 -6.865 8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 81 17.462 -7.021 7.393 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.048 -5.694 6.143 1.00 0.00 H new ATOM 0 HG3 ARG A 81 16.106 -4.803 7.219 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.045 -5.298 5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.054 -6.300 4.743 1.00 0.00 H new ATOM 0 HE ARG A 81 16.223 -4.392 3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 81 17.800 -3.543 6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 81 17.716 -1.805 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.118 -2.158 3.307 1.00 0.00 H new ATOM 0 HH22 ARG A 81 16.767 -1.024 4.496 1.00 0.00 H new ATOM 802 N LEU A 82 16.561 -9.907 8.156 1.00 0.00 N ATOM 803 CA LEU A 82 17.344 -11.052 8.609 1.00 0.00 C ATOM 804 C LEU A 82 16.834 -12.344 7.978 1.00 0.00 C ATOM 805 O LEU A 82 17.617 -13.229 7.630 1.00 0.00 O ATOM 806 CB LEU A 82 17.291 -11.160 10.134 1.00 0.00 C ATOM 807 CG LEU A 82 18.111 -10.129 10.909 1.00 0.00 C ATOM 808 CD1 LEU A 82 17.306 -8.855 11.119 1.00 0.00 C ATOM 809 CD2 LEU A 82 18.564 -10.702 12.244 1.00 0.00 C ATOM 0 H LEU A 82 15.892 -9.556 8.841 1.00 0.00 H new ATOM 0 HA LEU A 82 18.378 -10.900 8.298 1.00 0.00 H new ATOM 0 HB2 LEU A 82 16.250 -11.077 10.448 1.00 0.00 H new ATOM 0 HB3 LEU A 82 17.632 -12.155 10.420 1.00 0.00 H new ATOM 0 HG LEU A 82 18.996 -9.882 10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 82 17.906 -8.133 11.672 1.00 0.00 H new ATOM 0 HD12 LEU A 82 17.032 -8.434 10.152 1.00 0.00 H new ATOM 0 HD13 LEU A 82 16.402 -9.085 11.684 1.00 0.00 H new ATOM 0 HD21 LEU A 82 19.146 -9.954 12.782 1.00 0.00 H new ATOM 0 HD22 LEU A 82 17.692 -10.978 12.836 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.179 -11.585 12.071 1.00 0.00 H new ATOM 821 N THR A 83 15.517 -12.445 7.831 1.00 0.00 N ATOM 822 CA THR A 83 14.902 -13.628 7.241 1.00 0.00 C ATOM 823 C THR A 83 14.543 -13.389 5.779 1.00 0.00 C ATOM 824 O THR A 83 14.818 -14.223 4.918 1.00 0.00 O ATOM 825 CB THR A 83 13.633 -14.043 8.008 1.00 0.00 C ATOM 826 OG1 THR A 83 12.810 -12.897 8.251 1.00 0.00 O ATOM 827 CG2 THR A 83 13.993 -14.706 9.330 1.00 0.00 C ATOM 0 H THR A 83 14.855 -11.722 8.112 1.00 0.00 H new ATOM 0 HA THR A 83 15.636 -14.432 7.306 1.00 0.00 H new ATOM 0 HB THR A 83 13.084 -14.760 7.398 1.00 0.00 H new ATOM 0 HG1 THR A 83 12.004 -13.170 8.738 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.081 -14.991 9.855 1.00 0.00 H new ATOM 0 HG22 THR A 83 14.594 -15.595 9.139 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.562 -14.008 9.944 1.00 0.00 H new ATOM 835 N GLY A 84 13.928 -12.242 5.505 1.00 0.00 N ATOM 836 CA GLY A 84 13.542 -11.914 4.145 1.00 0.00 C ATOM 837 C GLY A 84 12.179 -12.469 3.779 1.00 0.00 C ATOM 838 O GLY A 84 11.837 -12.569 2.600 1.00 0.00 O ATOM 0 H GLY A 84 13.690 -11.535 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 84 13.534 -10.831 4.024 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.288 -12.306 3.454 1.00 0.00 H new ATOM 842 N LEU A 85 11.399 -12.832 4.791 1.00 0.00 N ATOM 843 CA LEU A 85 10.066 -13.381 4.571 1.00 0.00 C ATOM 844 C LEU A 85 9.019 -12.272 4.536 1.00 0.00 C ATOM 845 O LEU A 85 9.166 -11.244 5.197 1.00 0.00 O ATOM 846 CB LEU A 85 9.720 -14.390 5.668 1.00 0.00 C ATOM 847 CG LEU A 85 10.729 -15.518 5.884 1.00 0.00 C ATOM 848 CD1 LEU A 85 10.656 -16.034 7.313 1.00 0.00 C ATOM 849 CD2 LEU A 85 10.485 -16.648 4.894 1.00 0.00 C ATOM 0 H LEU A 85 11.667 -12.756 5.772 1.00 0.00 H new ATOM 0 HA LEU A 85 10.064 -13.888 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 85 9.603 -13.849 6.607 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.753 -14.835 5.433 1.00 0.00 H new ATOM 0 HG LEU A 85 11.730 -15.122 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 85 11.381 -16.836 7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 85 10.880 -15.222 8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.654 -16.414 7.512 1.00 0.00 H new ATOM 0 HD21 LEU A 85 11.212 -17.442 5.062 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.478 -17.042 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 85 10.589 -16.270 3.877 1.00 0.00 H new ATOM 861 N HIS A 86 7.960 -12.489 3.762 1.00 0.00 N ATOM 862 CA HIS A 86 6.886 -11.509 3.643 1.00 0.00 C ATOM 863 C HIS A 86 6.329 -11.144 5.015 1.00 0.00 C ATOM 864 O HIS A 86 5.531 -11.884 5.590 1.00 0.00 O ATOM 865 CB HIS A 86 5.768 -12.053 2.753 1.00 0.00 C ATOM 866 CG HIS A 86 4.810 -11.000 2.285 1.00 0.00 C ATOM 867 ND1 HIS A 86 4.283 -10.038 3.120 1.00 0.00 N ATOM 868 CD2 HIS A 86 4.286 -10.762 1.061 1.00 0.00 C ATOM 869 CE1 HIS A 86 3.474 -9.254 2.429 1.00 0.00 C ATOM 870 NE2 HIS A 86 3.459 -9.672 1.176 1.00 0.00 N ATOM 0 H HIS A 86 7.823 -13.334 3.208 1.00 0.00 H new ATOM 0 HA HIS A 86 7.297 -10.609 3.187 1.00 0.00 H new ATOM 0 HB2 HIS A 86 6.211 -12.542 1.885 1.00 0.00 H new ATOM 0 HB3 HIS A 86 5.217 -12.816 3.302 1.00 0.00 H new ATOM 0 HD2 HIS A 86 4.482 -11.325 0.160 1.00 0.00 H new ATOM 0 HE1 HIS A 86 2.920 -8.415 2.822 1.00 0.00 H new ATOM 0 HE2 HIS A 86 2.921 -9.253 0.417 1.00 0.00 H new ATOM 879 N LYS A 87 6.756 -9.999 5.536 1.00 0.00 N ATOM 880 CA LYS A 87 6.301 -9.534 6.841 1.00 0.00 C ATOM 881 C LYS A 87 4.778 -9.453 6.888 1.00 0.00 C ATOM 882 O LYS A 87 4.150 -9.936 7.830 1.00 0.00 O ATOM 883 CB LYS A 87 6.905 -8.165 7.157 1.00 0.00 C ATOM 884 CG LYS A 87 8.342 -8.232 7.647 1.00 0.00 C ATOM 885 CD LYS A 87 9.079 -6.928 7.394 1.00 0.00 C ATOM 886 CE LYS A 87 8.575 -5.817 8.301 1.00 0.00 C ATOM 887 NZ LYS A 87 8.930 -6.061 9.727 1.00 0.00 N ATOM 0 H LYS A 87 7.417 -9.375 5.074 1.00 0.00 H new ATOM 0 HA LYS A 87 6.633 -10.252 7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.864 -7.544 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.294 -7.674 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.353 -8.456 8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.861 -9.048 7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.147 -7.075 7.556 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.953 -6.634 6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.998 -4.865 7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.492 -5.733 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.786 -5.189 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.326 -6.815 10.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.927 -6.350 9.792 1.00 0.00 H new ATOM 901 N GLY A 88 4.191 -8.839 5.866 1.00 0.00 N ATOM 902 CA GLY A 88 2.746 -8.707 5.810 1.00 0.00 C ATOM 903 C GLY A 88 2.301 -7.266 5.667 1.00 0.00 C ATOM 904 O GLY A 88 1.327 -6.845 6.292 1.00 0.00 O ATOM 0 H GLY A 88 4.690 -8.430 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.364 -9.287 4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 88 2.310 -9.131 6.715 1.00 0.00 H new ATOM 908 N CYS A 89 3.016 -6.506 4.844 1.00 0.00 N ATOM 909 CA CYS A 89 2.690 -5.102 4.622 1.00 0.00 C ATOM 910 C CYS A 89 3.241 -4.621 3.284 1.00 0.00 C ATOM 911 O CYS A 89 4.131 -5.244 2.708 1.00 0.00 O ATOM 912 CB CYS A 89 3.249 -4.242 5.757 1.00 0.00 C ATOM 913 SG CYS A 89 3.161 -5.021 7.386 1.00 0.00 S ATOM 0 H CYS A 89 3.825 -6.839 4.320 1.00 0.00 H new ATOM 0 HA CYS A 89 1.605 -5.005 4.603 1.00 0.00 H new ATOM 0 HB2 CYS A 89 4.289 -4.001 5.537 1.00 0.00 H new ATOM 0 HB3 CYS A 89 2.703 -3.299 5.787 1.00 0.00 H new ATOM 0 HG CYS A 89 2.069 -5.720 7.474 1.00 0.00 H new ATOM 919 N ALA A 90 2.703 -3.508 2.795 1.00 0.00 N ATOM 920 CA ALA A 90 3.140 -2.943 1.524 1.00 0.00 C ATOM 921 C ALA A 90 2.890 -1.439 1.477 1.00 0.00 C ATOM 922 O ALA A 90 1.868 -0.955 1.964 1.00 0.00 O ATOM 923 CB ALA A 90 2.434 -3.634 0.368 1.00 0.00 C ATOM 0 H ALA A 90 1.964 -2.980 3.260 1.00 0.00 H new ATOM 0 HA ALA A 90 4.213 -3.110 1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.770 -3.202 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.668 -4.698 0.383 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.357 -3.498 0.466 1.00 0.00 H new ATOM 929 N PHE A 91 3.829 -0.706 0.888 1.00 0.00 N ATOM 930 CA PHE A 91 3.710 0.743 0.779 1.00 0.00 C ATOM 931 C PHE A 91 3.111 1.140 -0.567 1.00 0.00 C ATOM 932 O PHE A 91 3.724 0.939 -1.616 1.00 0.00 O ATOM 933 CB PHE A 91 5.079 1.403 0.955 1.00 0.00 C ATOM 934 CG PHE A 91 5.447 1.648 2.390 1.00 0.00 C ATOM 935 CD1 PHE A 91 4.558 2.273 3.250 1.00 0.00 C ATOM 936 CD2 PHE A 91 6.681 1.252 2.880 1.00 0.00 C ATOM 937 CE1 PHE A 91 4.894 2.500 4.571 1.00 0.00 C ATOM 938 CE2 PHE A 91 7.023 1.477 4.201 1.00 0.00 C ATOM 939 CZ PHE A 91 6.128 2.100 5.048 1.00 0.00 C ATOM 0 H PHE A 91 4.680 -1.091 0.479 1.00 0.00 H new ATOM 0 HA PHE A 91 3.043 1.088 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.840 0.771 0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.087 2.352 0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.592 2.586 2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.384 0.762 2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 91 4.193 2.990 5.230 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.989 1.166 4.570 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.392 2.274 6.081 1.00 0.00 H new ATOM 949 N LEU A 92 1.908 1.704 -0.529 1.00 0.00 N ATOM 950 CA LEU A 92 1.224 2.129 -1.745 1.00 0.00 C ATOM 951 C LEU A 92 1.181 3.651 -1.842 1.00 0.00 C ATOM 952 O LEU A 92 0.942 4.341 -0.851 1.00 0.00 O ATOM 953 CB LEU A 92 -0.197 1.564 -1.779 1.00 0.00 C ATOM 954 CG LEU A 92 -1.139 2.178 -2.815 1.00 0.00 C ATOM 955 CD1 LEU A 92 -0.750 1.736 -4.217 1.00 0.00 C ATOM 956 CD2 LEU A 92 -2.582 1.798 -2.515 1.00 0.00 C ATOM 0 H LEU A 92 1.387 1.877 0.331 1.00 0.00 H new ATOM 0 HA LEU A 92 1.781 1.744 -2.599 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.136 0.492 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.641 1.693 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.051 3.263 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.431 2.183 -4.941 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.269 2.058 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.809 0.650 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.239 2.244 -3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.686 0.713 -2.542 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.857 2.165 -1.526 1.00 0.00 H new ATOM 968 N THR A 93 1.412 4.169 -3.045 1.00 0.00 N ATOM 969 CA THR A 93 1.399 5.609 -3.272 1.00 0.00 C ATOM 970 C THR A 93 0.501 5.971 -4.449 1.00 0.00 C ATOM 971 O THR A 93 0.702 5.492 -5.566 1.00 0.00 O ATOM 972 CB THR A 93 2.817 6.149 -3.537 1.00 0.00 C ATOM 973 OG1 THR A 93 3.638 5.957 -2.380 1.00 0.00 O ATOM 974 CG2 THR A 93 2.775 7.626 -3.897 1.00 0.00 C ATOM 0 H THR A 93 1.610 3.613 -3.877 1.00 0.00 H new ATOM 0 HA THR A 93 1.007 6.069 -2.365 1.00 0.00 H new ATOM 0 HB THR A 93 3.241 5.599 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 93 4.538 6.301 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 93 3.788 7.985 -4.080 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.173 7.765 -4.795 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.334 8.189 -3.074 1.00 0.00 H new ATOM 982 N TYR A 94 -0.489 6.819 -4.193 1.00 0.00 N ATOM 983 CA TYR A 94 -1.419 7.244 -5.232 1.00 0.00 C ATOM 984 C TYR A 94 -0.984 8.573 -5.842 1.00 0.00 C ATOM 985 O TYR A 94 -0.534 9.476 -5.135 1.00 0.00 O ATOM 986 CB TYR A 94 -2.832 7.371 -4.660 1.00 0.00 C ATOM 987 CG TYR A 94 -3.614 6.078 -4.687 1.00 0.00 C ATOM 988 CD1 TYR A 94 -3.846 5.408 -5.882 1.00 0.00 C ATOM 989 CD2 TYR A 94 -4.122 5.526 -3.518 1.00 0.00 C ATOM 990 CE1 TYR A 94 -4.562 4.227 -5.912 1.00 0.00 C ATOM 991 CE2 TYR A 94 -4.837 4.344 -3.538 1.00 0.00 C ATOM 992 CZ TYR A 94 -5.054 3.698 -4.737 1.00 0.00 C ATOM 993 OH TYR A 94 -5.767 2.521 -4.761 1.00 0.00 O ATOM 0 H TYR A 94 -0.668 7.226 -3.275 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.418 6.487 -6.016 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.768 7.726 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.377 8.127 -5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.460 5.818 -6.804 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.955 6.029 -2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.736 3.721 -6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.224 3.928 -2.619 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.066 2.338 -5.676 1.00 0.00 H new ATOM 1003 N CYS A 95 -1.122 8.686 -7.158 1.00 0.00 N ATOM 1004 CA CYS A 95 -0.743 9.904 -7.866 1.00 0.00 C ATOM 1005 C CYS A 95 -1.454 11.118 -7.276 1.00 0.00 C ATOM 1006 O CYS A 95 -0.829 12.141 -6.999 1.00 0.00 O ATOM 1007 CB CYS A 95 -1.073 9.778 -9.354 1.00 0.00 C ATOM 1008 SG CYS A 95 -0.375 8.308 -10.142 1.00 0.00 S ATOM 0 H CYS A 95 -1.494 7.949 -7.757 1.00 0.00 H new ATOM 0 HA CYS A 95 0.332 10.043 -7.751 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -2.156 9.763 -9.475 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.707 10.664 -9.873 1.00 0.00 H new ATOM 0 HG CYS A 95 -1.118 7.276 -9.871 1.00 0.00 H new ATOM 1014 N ALA A 96 -2.764 10.997 -7.090 1.00 0.00 N ATOM 1015 CA ALA A 96 -3.560 12.084 -6.533 1.00 0.00 C ATOM 1016 C ALA A 96 -3.914 11.815 -5.075 1.00 0.00 C ATOM 1017 O ALA A 96 -3.839 10.678 -4.608 1.00 0.00 O ATOM 1018 CB ALA A 96 -4.824 12.288 -7.356 1.00 0.00 C ATOM 0 H ALA A 96 -3.297 10.157 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.963 12.995 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.409 13.103 -6.929 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.554 12.535 -8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.416 11.373 -7.347 1.00 0.00 H new ATOM 1024 N ARG A 97 -4.298 12.867 -4.360 1.00 0.00 N ATOM 1025 CA ARG A 97 -4.662 12.743 -2.953 1.00 0.00 C ATOM 1026 C ARG A 97 -6.064 12.159 -2.803 1.00 0.00 C ATOM 1027 O ARG A 97 -6.308 11.321 -1.935 1.00 0.00 O ATOM 1028 CB ARG A 97 -4.590 14.107 -2.264 1.00 0.00 C ATOM 1029 CG ARG A 97 -5.459 15.167 -2.920 1.00 0.00 C ATOM 1030 CD ARG A 97 -5.630 16.382 -2.020 1.00 0.00 C ATOM 1031 NE ARG A 97 -6.792 16.255 -1.145 1.00 0.00 N ATOM 1032 CZ ARG A 97 -7.087 17.124 -0.185 1.00 0.00 C ATOM 1033 NH1 ARG A 97 -6.309 18.178 0.023 1.00 0.00 N ATOM 1034 NH2 ARG A 97 -8.163 16.941 0.571 1.00 0.00 N ATOM 0 H ARG A 97 -4.365 13.815 -4.731 1.00 0.00 H new ATOM 0 HA ARG A 97 -3.952 12.065 -2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -4.892 13.995 -1.223 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -3.555 14.449 -2.261 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -5.011 15.473 -3.865 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.437 14.745 -3.153 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.733 16.514 -1.415 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.735 17.276 -2.634 1.00 0.00 H new ATOM 0 HE ARG A 97 -7.411 15.455 -1.278 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.481 18.323 -0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.538 18.844 0.761 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.764 16.132 0.415 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -8.388 17.609 1.308 1.00 0.00 H new ATOM 1048 N ASP A 98 -6.980 12.607 -3.654 1.00 0.00 N ATOM 1049 CA ASP A 98 -8.357 12.129 -3.617 1.00 0.00 C ATOM 1050 C ASP A 98 -8.409 10.612 -3.765 1.00 0.00 C ATOM 1051 O ASP A 98 -9.015 9.919 -2.947 1.00 0.00 O ATOM 1052 CB ASP A 98 -9.179 12.790 -4.724 1.00 0.00 C ATOM 1053 CG ASP A 98 -9.418 14.265 -4.466 1.00 0.00 C ATOM 1054 OD1 ASP A 98 -8.463 14.958 -4.055 1.00 0.00 O ATOM 1055 OD2 ASP A 98 -10.559 14.726 -4.676 1.00 0.00 O ATOM 0 H ASP A 98 -6.794 13.301 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.783 12.397 -2.650 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.663 12.670 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -10.138 12.280 -4.814 1.00 0.00 H new ATOM 1060 N SER A 99 -7.772 10.102 -4.813 1.00 0.00 N ATOM 1061 CA SER A 99 -7.750 8.667 -5.071 1.00 0.00 C ATOM 1062 C SER A 99 -7.371 7.894 -3.811 1.00 0.00 C ATOM 1063 O SER A 99 -7.874 6.798 -3.567 1.00 0.00 O ATOM 1064 CB SER A 99 -6.764 8.344 -6.196 1.00 0.00 C ATOM 1065 OG SER A 99 -7.324 8.637 -7.464 1.00 0.00 O ATOM 0 H SER A 99 -7.264 10.661 -5.498 1.00 0.00 H new ATOM 0 HA SER A 99 -8.751 8.363 -5.376 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.848 8.919 -6.058 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.489 7.290 -6.151 1.00 0.00 H new ATOM 0 HG SER A 99 -6.674 8.424 -8.166 1.00 0.00 H new ATOM 1071 N ALA A 100 -6.481 8.475 -3.013 1.00 0.00 N ATOM 1072 CA ALA A 100 -6.036 7.843 -1.777 1.00 0.00 C ATOM 1073 C ALA A 100 -7.161 7.797 -0.749 1.00 0.00 C ATOM 1074 O ALA A 100 -7.475 6.737 -0.204 1.00 0.00 O ATOM 1075 CB ALA A 100 -4.832 8.581 -1.212 1.00 0.00 C ATOM 0 H ALA A 100 -6.054 9.382 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.746 6.817 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.510 8.099 -0.289 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.018 8.558 -1.937 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.104 9.616 -1.005 1.00 0.00 H new ATOM 1081 N LEU A 101 -7.765 8.951 -0.486 1.00 0.00 N ATOM 1082 CA LEU A 101 -8.855 9.041 0.478 1.00 0.00 C ATOM 1083 C LEU A 101 -9.890 7.947 0.236 1.00 0.00 C ATOM 1084 O LEU A 101 -10.234 7.190 1.144 1.00 0.00 O ATOM 1085 CB LEU A 101 -9.522 10.416 0.396 1.00 0.00 C ATOM 1086 CG LEU A 101 -8.649 11.609 0.786 1.00 0.00 C ATOM 1087 CD1 LEU A 101 -9.280 12.909 0.311 1.00 0.00 C ATOM 1088 CD2 LEU A 101 -8.428 11.640 2.291 1.00 0.00 C ATOM 0 H LEU A 101 -7.518 9.837 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 101 -8.436 8.905 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.874 10.567 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -10.402 10.410 1.039 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.680 11.500 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.645 13.747 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.385 12.887 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.262 13.025 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.804 12.496 2.550 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -9.389 11.725 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.932 10.722 2.605 1.00 0.00 H new ATOM 1100 N LYS A 102 -10.380 7.867 -0.996 1.00 0.00 N ATOM 1101 CA LYS A 102 -11.373 6.863 -1.361 1.00 0.00 C ATOM 1102 C LYS A 102 -10.874 5.460 -1.031 1.00 0.00 C ATOM 1103 O LYS A 102 -11.382 4.809 -0.118 1.00 0.00 O ATOM 1104 CB LYS A 102 -11.703 6.960 -2.852 1.00 0.00 C ATOM 1105 CG LYS A 102 -12.182 8.336 -3.280 1.00 0.00 C ATOM 1106 CD LYS A 102 -12.683 8.331 -4.715 1.00 0.00 C ATOM 1107 CE LYS A 102 -13.137 9.716 -5.152 1.00 0.00 C ATOM 1108 NZ LYS A 102 -14.562 9.968 -4.802 1.00 0.00 N ATOM 0 H LYS A 102 -10.106 8.486 -1.759 1.00 0.00 H new ATOM 0 HA LYS A 102 -12.276 7.055 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.817 6.697 -3.430 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.471 6.225 -3.094 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.981 8.667 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.367 9.053 -3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.891 7.981 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.511 7.629 -4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.508 10.470 -4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.004 9.819 -6.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.833 10.922 -5.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -15.165 9.264 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -14.685 9.895 -3.772 1.00 0.00 H new ATOM 1122 N ALA A 103 -9.876 5.000 -1.779 1.00 0.00 N ATOM 1123 CA ALA A 103 -9.307 3.675 -1.563 1.00 0.00 C ATOM 1124 C ALA A 103 -8.995 3.446 -0.088 1.00 0.00 C ATOM 1125 O ALA A 103 -9.048 2.317 0.398 1.00 0.00 O ATOM 1126 CB ALA A 103 -8.052 3.497 -2.404 1.00 0.00 C ATOM 0 H ALA A 103 -9.445 5.525 -2.540 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.045 2.934 -1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.637 2.504 -2.233 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.302 3.609 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.316 4.250 -2.123 1.00 0.00 H new ATOM 1132 N GLN A 104 -8.670 4.524 0.618 1.00 0.00 N ATOM 1133 CA GLN A 104 -8.348 4.439 2.038 1.00 0.00 C ATOM 1134 C GLN A 104 -9.591 4.110 2.859 1.00 0.00 C ATOM 1135 O GLN A 104 -9.665 3.060 3.497 1.00 0.00 O ATOM 1136 CB GLN A 104 -7.735 5.753 2.523 1.00 0.00 C ATOM 1137 CG GLN A 104 -7.410 5.761 4.008 1.00 0.00 C ATOM 1138 CD GLN A 104 -7.333 7.162 4.582 1.00 0.00 C ATOM 1139 OE1 GLN A 104 -7.941 7.458 5.610 1.00 0.00 O ATOM 1140 NE2 GLN A 104 -6.582 8.033 3.918 1.00 0.00 N ATOM 0 H GLN A 104 -8.623 5.466 0.230 1.00 0.00 H new ATOM 0 HA GLN A 104 -7.623 3.637 2.173 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -6.823 5.949 1.959 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -8.425 6.568 2.306 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -8.170 5.194 4.545 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.459 5.253 4.171 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -6.095 7.744 3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -6.492 8.991 4.257 1.00 0.00 H new ATOM 1149 N SER A 105 -10.564 5.014 2.837 1.00 0.00 N ATOM 1150 CA SER A 105 -11.803 4.822 3.583 1.00 0.00 C ATOM 1151 C SER A 105 -12.714 3.823 2.875 1.00 0.00 C ATOM 1152 O SER A 105 -13.789 3.488 3.372 1.00 0.00 O ATOM 1153 CB SER A 105 -12.529 6.157 3.759 1.00 0.00 C ATOM 1154 OG SER A 105 -13.556 6.054 4.731 1.00 0.00 O ATOM 0 H SER A 105 -10.519 5.887 2.311 1.00 0.00 H new ATOM 0 HA SER A 105 -11.549 4.423 4.565 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.816 6.926 4.058 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.955 6.471 2.806 1.00 0.00 H new ATOM 0 HG SER A 105 -13.983 5.175 4.663 1.00 0.00 H new ATOM 1160 N ALA A 106 -12.275 3.353 1.713 1.00 0.00 N ATOM 1161 CA ALA A 106 -13.049 2.391 0.937 1.00 0.00 C ATOM 1162 C ALA A 106 -12.583 0.965 1.209 1.00 0.00 C ATOM 1163 O ALA A 106 -13.354 0.013 1.076 1.00 0.00 O ATOM 1164 CB ALA A 106 -12.947 2.708 -0.548 1.00 0.00 C ATOM 0 H ALA A 106 -11.388 3.622 1.288 1.00 0.00 H new ATOM 0 HA ALA A 106 -14.092 2.469 1.243 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -13.529 1.982 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -13.335 3.710 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -11.904 2.659 -0.860 1.00 0.00 H new ATOM 1170 N LEU A 107 -11.319 0.823 1.589 1.00 0.00 N ATOM 1171 CA LEU A 107 -10.750 -0.489 1.880 1.00 0.00 C ATOM 1172 C LEU A 107 -10.525 -0.665 3.378 1.00 0.00 C ATOM 1173 O LEU A 107 -10.758 -1.742 3.929 1.00 0.00 O ATOM 1174 CB LEU A 107 -9.430 -0.672 1.129 1.00 0.00 C ATOM 1175 CG LEU A 107 -9.542 -0.916 -0.376 1.00 0.00 C ATOM 1176 CD1 LEU A 107 -8.174 -0.828 -1.035 1.00 0.00 C ATOM 1177 CD2 LEU A 107 -10.181 -2.269 -0.651 1.00 0.00 C ATOM 0 H LEU A 107 -10.668 1.600 1.703 1.00 0.00 H new ATOM 0 HA LEU A 107 -11.459 -1.247 1.547 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.818 0.216 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -8.895 -1.511 1.574 1.00 0.00 H new ATOM 0 HG LEU A 107 -10.179 -0.141 -0.803 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -8.274 -1.004 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.753 0.163 -0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.513 -1.580 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -10.253 -2.426 -1.727 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -9.570 -3.056 -0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.179 -2.296 -0.213 1.00 0.00 H new ATOM 1189 N HIS A 108 -10.072 0.399 4.033 1.00 0.00 N ATOM 1190 CA HIS A 108 -9.818 0.363 5.468 1.00 0.00 C ATOM 1191 C HIS A 108 -11.003 -0.244 6.214 1.00 0.00 C ATOM 1192 O HIS A 108 -12.073 0.358 6.292 1.00 0.00 O ATOM 1193 CB HIS A 108 -9.538 1.771 5.994 1.00 0.00 C ATOM 1194 CG HIS A 108 -9.046 1.796 7.408 1.00 0.00 C ATOM 1195 ND1 HIS A 108 -7.775 1.402 7.771 1.00 0.00 N ATOM 1196 CD2 HIS A 108 -9.662 2.172 8.553 1.00 0.00 C ATOM 1197 CE1 HIS A 108 -7.632 1.533 9.077 1.00 0.00 C ATOM 1198 NE2 HIS A 108 -8.762 2.000 9.576 1.00 0.00 N ATOM 0 H HIS A 108 -9.873 1.297 3.592 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.942 -0.262 5.641 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -8.798 2.249 5.352 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.450 2.364 5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -10.674 2.539 8.645 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -6.742 1.298 9.642 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.938 2.200 10.561 1.00 0.00 H new ATOM 1206 N GLU A 109 -10.802 -1.439 6.760 1.00 0.00 N ATOM 1207 CA GLU A 109 -11.855 -2.128 7.498 1.00 0.00 C ATOM 1208 C GLU A 109 -13.109 -2.280 6.642 1.00 0.00 C ATOM 1209 O GLU A 109 -14.226 -2.093 7.123 1.00 0.00 O ATOM 1210 CB GLU A 109 -12.190 -1.366 8.782 1.00 0.00 C ATOM 1211 CG GLU A 109 -10.990 -1.142 9.687 1.00 0.00 C ATOM 1212 CD GLU A 109 -11.373 -1.050 11.152 1.00 0.00 C ATOM 1213 OE1 GLU A 109 -12.246 -1.831 11.586 1.00 0.00 O ATOM 1214 OE2 GLU A 109 -10.800 -0.199 11.863 1.00 0.00 O ATOM 0 H GLU A 109 -9.921 -1.950 6.706 1.00 0.00 H new ATOM 0 HA GLU A 109 -11.491 -3.122 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -12.622 -0.400 8.519 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -12.952 -1.917 9.333 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.280 -1.958 9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.482 -0.225 9.390 1.00 0.00 H new ATOM 1221 N GLN A 110 -12.914 -2.619 5.372 1.00 0.00 N ATOM 1222 CA GLN A 110 -14.029 -2.795 4.449 1.00 0.00 C ATOM 1223 C GLN A 110 -13.911 -4.118 3.699 1.00 0.00 C ATOM 1224 O GLN A 110 -14.888 -4.855 3.561 1.00 0.00 O ATOM 1225 CB GLN A 110 -14.083 -1.634 3.454 1.00 0.00 C ATOM 1226 CG GLN A 110 -15.487 -1.314 2.969 1.00 0.00 C ATOM 1227 CD GLN A 110 -15.613 0.101 2.439 1.00 0.00 C ATOM 1228 OE1 GLN A 110 -16.049 0.316 1.308 1.00 0.00 O ATOM 1229 NE2 GLN A 110 -15.231 1.076 3.256 1.00 0.00 N ATOM 0 H GLN A 110 -11.995 -2.777 4.959 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.951 -2.809 5.031 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.658 -0.746 3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.456 -1.873 2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.766 -2.018 2.185 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -16.191 -1.455 3.789 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.875 0.853 4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.293 2.048 2.954 1.00 0.00 H new ATOM 1238 N LYS A 111 -12.709 -4.413 3.216 1.00 0.00 N ATOM 1239 CA LYS A 111 -12.462 -5.648 2.480 1.00 0.00 C ATOM 1240 C LYS A 111 -11.827 -6.701 3.382 1.00 0.00 C ATOM 1241 O LYS A 111 -11.237 -6.377 4.413 1.00 0.00 O ATOM 1242 CB LYS A 111 -11.555 -5.376 1.278 1.00 0.00 C ATOM 1243 CG LYS A 111 -11.779 -6.332 0.119 1.00 0.00 C ATOM 1244 CD LYS A 111 -12.937 -5.884 -0.757 1.00 0.00 C ATOM 1245 CE LYS A 111 -12.746 -6.322 -2.201 1.00 0.00 C ATOM 1246 NZ LYS A 111 -13.104 -7.754 -2.399 1.00 0.00 N ATOM 0 H LYS A 111 -11.890 -3.814 3.321 1.00 0.00 H new ATOM 0 HA LYS A 111 -13.420 -6.029 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -11.719 -4.355 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.515 -5.441 1.596 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -10.871 -6.397 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -11.979 -7.332 0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -13.868 -6.298 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -13.028 -4.799 -0.714 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -13.360 -5.701 -2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -11.708 -6.163 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.960 -8.013 -3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -12.501 -8.349 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -14.101 -7.901 -2.144 1.00 0.00 H new ATOM 1260 N THR A 112 -11.951 -7.964 2.987 1.00 0.00 N ATOM 1261 CA THR A 112 -11.389 -9.065 3.760 1.00 0.00 C ATOM 1262 C THR A 112 -10.662 -10.055 2.857 1.00 0.00 C ATOM 1263 O THR A 112 -11.270 -10.981 2.318 1.00 0.00 O ATOM 1264 CB THR A 112 -12.480 -9.812 4.549 1.00 0.00 C ATOM 1265 OG1 THR A 112 -13.078 -8.934 5.509 1.00 0.00 O ATOM 1266 CG2 THR A 112 -11.900 -11.027 5.257 1.00 0.00 C ATOM 0 H THR A 112 -12.436 -8.250 2.136 1.00 0.00 H new ATOM 0 HA THR A 112 -10.679 -8.628 4.462 1.00 0.00 H new ATOM 0 HB THR A 112 -13.240 -10.151 3.844 1.00 0.00 H new ATOM 0 HG1 THR A 112 -13.772 -9.416 6.006 1.00 0.00 H new ATOM 0 HG21 THR A 112 -12.689 -11.539 5.808 1.00 0.00 H new ATOM 0 HG22 THR A 112 -11.472 -11.707 4.521 1.00 0.00 H new ATOM 0 HG23 THR A 112 -11.122 -10.707 5.951 1.00 0.00 H new ATOM 1274 N LEU A 113 -9.359 -9.856 2.697 1.00 0.00 N ATOM 1275 CA LEU A 113 -8.548 -10.733 1.859 1.00 0.00 C ATOM 1276 C LEU A 113 -8.919 -12.195 2.082 1.00 0.00 C ATOM 1277 O LEU A 113 -9.439 -12.576 3.131 1.00 0.00 O ATOM 1278 CB LEU A 113 -7.062 -10.521 2.154 1.00 0.00 C ATOM 1279 CG LEU A 113 -6.432 -9.260 1.560 1.00 0.00 C ATOM 1280 CD1 LEU A 113 -5.017 -9.073 2.083 1.00 0.00 C ATOM 1281 CD2 LEU A 113 -6.437 -9.327 0.040 1.00 0.00 C ATOM 0 H LEU A 113 -8.841 -9.095 3.136 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.745 -10.483 0.816 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -6.927 -10.495 3.235 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -6.512 -11.386 1.784 1.00 0.00 H new ATOM 0 HG LEU A 113 -7.027 -8.400 1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.585 -8.171 1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -5.040 -8.979 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -4.410 -9.935 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.985 -8.422 -0.366 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -5.866 -10.196 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -7.463 -9.412 -0.317 1.00 0.00 H new ATOM 1293 N PRO A 114 -8.645 -13.036 1.074 1.00 0.00 N ATOM 1294 CA PRO A 114 -8.939 -14.471 1.138 1.00 0.00 C ATOM 1295 C PRO A 114 -8.038 -15.204 2.125 1.00 0.00 C ATOM 1296 O PRO A 114 -6.853 -15.411 1.864 1.00 0.00 O ATOM 1297 CB PRO A 114 -8.671 -14.952 -0.290 1.00 0.00 C ATOM 1298 CG PRO A 114 -7.693 -13.973 -0.842 1.00 0.00 C ATOM 1299 CD PRO A 114 -8.025 -12.652 -0.205 1.00 0.00 C ATOM 0 HA PRO A 114 -9.955 -14.664 1.484 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -8.266 -15.964 -0.297 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -9.587 -14.972 -0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -6.670 -14.271 -0.612 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -7.771 -13.913 -1.928 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.133 -12.044 -0.053 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.707 -12.068 -0.823 1.00 0.00 H new ATOM 1307 N GLY A 115 -8.607 -15.596 3.261 1.00 0.00 N ATOM 1308 CA GLY A 115 -7.840 -16.303 4.270 1.00 0.00 C ATOM 1309 C GLY A 115 -7.512 -15.431 5.466 1.00 0.00 C ATOM 1310 O GLY A 115 -6.871 -15.882 6.414 1.00 0.00 O ATOM 0 H GLY A 115 -9.586 -15.437 3.500 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -8.402 -17.176 4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -6.914 -16.670 3.827 1.00 0.00 H new ATOM 1314 N MET A 116 -7.953 -14.178 5.420 1.00 0.00 N ATOM 1315 CA MET A 116 -7.702 -13.240 6.509 1.00 0.00 C ATOM 1316 C MET A 116 -8.975 -12.981 7.308 1.00 0.00 C ATOM 1317 O MET A 116 -9.882 -12.294 6.841 1.00 0.00 O ATOM 1318 CB MET A 116 -7.154 -11.922 5.959 1.00 0.00 C ATOM 1319 CG MET A 116 -5.685 -11.988 5.572 1.00 0.00 C ATOM 1320 SD MET A 116 -4.596 -12.124 7.002 1.00 0.00 S ATOM 1321 CE MET A 116 -4.108 -10.415 7.220 1.00 0.00 C ATOM 0 H MET A 116 -8.485 -13.789 4.642 1.00 0.00 H new ATOM 0 HA MET A 116 -6.961 -13.684 7.174 1.00 0.00 H new ATOM 0 HB2 MET A 116 -7.738 -11.631 5.086 1.00 0.00 H new ATOM 0 HB3 MET A 116 -7.289 -11.141 6.708 1.00 0.00 H new ATOM 0 HG2 MET A 116 -5.524 -12.843 4.915 1.00 0.00 H new ATOM 0 HG3 MET A 116 -5.422 -11.096 5.004 1.00 0.00 H new ATOM 0 HE1 MET A 116 -3.875 -10.234 8.269 1.00 0.00 H new ATOM 0 HE2 MET A 116 -3.228 -10.208 6.612 1.00 0.00 H new ATOM 0 HE3 MET A 116 -4.924 -9.761 6.912 1.00 0.00 H new ATOM 1331 N ASN A 117 -9.034 -13.536 8.514 1.00 0.00 N ATOM 1332 CA ASN A 117 -10.197 -13.366 9.377 1.00 0.00 C ATOM 1333 C ASN A 117 -10.538 -11.888 9.545 1.00 0.00 C ATOM 1334 O ASN A 117 -11.708 -11.519 9.654 1.00 0.00 O ATOM 1335 CB ASN A 117 -9.940 -14.000 10.746 1.00 0.00 C ATOM 1336 CG ASN A 117 -9.279 -15.360 10.637 1.00 0.00 C ATOM 1337 OD1 ASN A 117 -8.089 -15.508 10.915 1.00 0.00 O ATOM 1338 ND2 ASN A 117 -10.050 -16.362 10.232 1.00 0.00 N ATOM 0 H ASN A 117 -8.290 -14.107 8.916 1.00 0.00 H new ATOM 0 HA ASN A 117 -11.044 -13.865 8.906 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -9.308 -13.338 11.337 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -10.885 -14.100 11.281 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -9.661 -17.300 10.141 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -11.032 -16.193 10.012 1.00 0.00 H new ATOM 1345 N ARG A 118 -9.509 -11.048 9.564 1.00 0.00 N ATOM 1346 CA ARG A 118 -9.699 -9.611 9.720 1.00 0.00 C ATOM 1347 C ARG A 118 -9.618 -8.903 8.370 1.00 0.00 C ATOM 1348 O ARG A 118 -9.003 -9.391 7.421 1.00 0.00 O ATOM 1349 CB ARG A 118 -8.650 -9.036 10.673 1.00 0.00 C ATOM 1350 CG ARG A 118 -8.881 -9.406 12.128 1.00 0.00 C ATOM 1351 CD ARG A 118 -10.017 -8.597 12.735 1.00 0.00 C ATOM 1352 NE ARG A 118 -10.409 -9.103 14.048 1.00 0.00 N ATOM 1353 CZ ARG A 118 -11.595 -8.873 14.600 1.00 0.00 C ATOM 1354 NH1 ARG A 118 -12.500 -8.149 13.956 1.00 0.00 N ATOM 1355 NH2 ARG A 118 -11.878 -9.368 15.798 1.00 0.00 N ATOM 0 H ARG A 118 -8.535 -11.337 9.473 1.00 0.00 H new ATOM 0 HA ARG A 118 -10.691 -9.444 10.140 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -7.664 -9.388 10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -8.643 -7.950 10.580 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.110 -10.469 12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -7.967 -9.236 12.697 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -9.712 -7.554 12.825 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -10.877 -8.621 12.066 1.00 0.00 H new ATOM 0 HE ARG A 118 -9.735 -9.664 14.569 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -12.286 -7.767 13.035 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -13.410 -7.974 14.382 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -11.184 -9.926 16.296 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -12.789 -9.191 16.221 1.00 0.00 H new ATOM 1369 N PRO A 119 -10.253 -7.725 8.280 1.00 0.00 N ATOM 1370 CA PRO A 119 -10.268 -6.925 7.052 1.00 0.00 C ATOM 1371 C PRO A 119 -8.902 -6.324 6.735 1.00 0.00 C ATOM 1372 O PRO A 119 -7.907 -6.646 7.385 1.00 0.00 O ATOM 1373 CB PRO A 119 -11.280 -5.819 7.361 1.00 0.00 C ATOM 1374 CG PRO A 119 -11.268 -5.699 8.846 1.00 0.00 C ATOM 1375 CD PRO A 119 -11.006 -7.083 9.371 1.00 0.00 C ATOM 0 HA PRO A 119 -10.525 -7.524 6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -10.997 -4.880 6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -12.273 -6.077 6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -10.495 -5.004 9.175 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -12.220 -5.316 9.214 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -10.431 -7.059 10.297 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -11.934 -7.614 9.586 1.00 0.00 H new ATOM 1383 N ILE A 120 -8.864 -5.450 5.735 1.00 0.00 N ATOM 1384 CA ILE A 120 -7.620 -4.804 5.335 1.00 0.00 C ATOM 1385 C ILE A 120 -7.476 -3.434 5.990 1.00 0.00 C ATOM 1386 O ILE A 120 -8.430 -2.658 6.043 1.00 0.00 O ATOM 1387 CB ILE A 120 -7.538 -4.639 3.805 1.00 0.00 C ATOM 1388 CG1 ILE A 120 -6.474 -3.603 3.438 1.00 0.00 C ATOM 1389 CG2 ILE A 120 -8.894 -4.236 3.243 1.00 0.00 C ATOM 1390 CD1 ILE A 120 -6.329 -3.388 1.948 1.00 0.00 C ATOM 0 H ILE A 120 -9.679 -5.173 5.188 1.00 0.00 H new ATOM 0 HA ILE A 120 -6.808 -5.451 5.668 1.00 0.00 H new ATOM 0 HB ILE A 120 -7.253 -5.595 3.366 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -6.724 -2.654 3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -5.514 -3.919 3.846 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -8.821 -4.123 2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -9.629 -5.006 3.478 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -9.205 -3.290 3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -5.558 -2.641 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -6.048 -4.327 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -7.277 -3.041 1.536 1.00 0.00 H new ATOM 1402 N GLN A 121 -6.278 -3.145 6.487 1.00 0.00 N ATOM 1403 CA GLN A 121 -6.009 -1.869 7.139 1.00 0.00 C ATOM 1404 C GLN A 121 -5.112 -0.993 6.271 1.00 0.00 C ATOM 1405 O GLN A 121 -3.984 -1.368 5.950 1.00 0.00 O ATOM 1406 CB GLN A 121 -5.356 -2.096 8.503 1.00 0.00 C ATOM 1407 CG GLN A 121 -6.305 -2.664 9.545 1.00 0.00 C ATOM 1408 CD GLN A 121 -5.577 -3.271 10.728 1.00 0.00 C ATOM 1409 OE1 GLN A 121 -4.462 -2.868 11.059 1.00 0.00 O ATOM 1410 NE2 GLN A 121 -6.206 -4.247 11.374 1.00 0.00 N ATOM 0 H GLN A 121 -5.478 -3.777 6.451 1.00 0.00 H new ATOM 0 HA GLN A 121 -6.960 -1.355 7.281 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -4.512 -2.775 8.384 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -4.955 -1.150 8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -6.967 -1.873 9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -6.935 -3.424 9.082 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -7.130 -4.550 11.066 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -5.765 -4.693 12.178 1.00 0.00 H new ATOM 1419 N VAL A 122 -5.620 0.176 5.894 1.00 0.00 N ATOM 1420 CA VAL A 122 -4.863 1.106 5.063 1.00 0.00 C ATOM 1421 C VAL A 122 -4.914 2.519 5.634 1.00 0.00 C ATOM 1422 O VAL A 122 -5.977 3.135 5.701 1.00 0.00 O ATOM 1423 CB VAL A 122 -5.396 1.128 3.618 1.00 0.00 C ATOM 1424 CG1 VAL A 122 -4.549 2.047 2.751 1.00 0.00 C ATOM 1425 CG2 VAL A 122 -5.431 -0.279 3.042 1.00 0.00 C ATOM 0 H VAL A 122 -6.552 0.502 6.150 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.830 0.757 5.056 1.00 0.00 H new ATOM 0 HB VAL A 122 -6.414 1.516 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.940 2.050 1.734 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -4.580 3.059 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -3.519 1.691 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -5.810 -0.245 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.424 -0.697 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -6.084 -0.905 3.650 1.00 0.00 H new ATOM 1435 N LYS A 123 -3.757 3.027 6.044 1.00 0.00 N ATOM 1436 CA LYS A 123 -3.667 4.368 6.608 1.00 0.00 C ATOM 1437 C LYS A 123 -2.656 5.214 5.841 1.00 0.00 C ATOM 1438 O LYS A 123 -1.683 4.707 5.283 1.00 0.00 O ATOM 1439 CB LYS A 123 -3.273 4.297 8.085 1.00 0.00 C ATOM 1440 CG LYS A 123 -2.080 3.396 8.354 1.00 0.00 C ATOM 1441 CD LYS A 123 -2.037 2.945 9.804 1.00 0.00 C ATOM 1442 CE LYS A 123 -1.311 1.617 9.954 1.00 0.00 C ATOM 1443 NZ LYS A 123 -1.190 1.209 11.381 1.00 0.00 N ATOM 0 H LYS A 123 -2.868 2.530 5.996 1.00 0.00 H new ATOM 0 HA LYS A 123 -4.647 4.838 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -3.046 5.302 8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -4.125 3.939 8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -2.128 2.524 7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -1.160 3.927 8.110 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -1.538 3.704 10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -3.053 2.851 10.187 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -1.846 0.846 9.400 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -0.317 1.695 9.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -0.690 0.299 11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -0.657 1.932 11.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -2.139 1.110 11.795 1.00 0.00 H new ATOM 1457 N PRO A 124 -2.889 6.535 5.813 1.00 0.00 N ATOM 1458 CA PRO A 124 -2.008 7.479 5.119 1.00 0.00 C ATOM 1459 C PRO A 124 -0.659 7.633 5.815 1.00 0.00 C ATOM 1460 O PRO A 124 -0.437 8.591 6.554 1.00 0.00 O ATOM 1461 CB PRO A 124 -2.788 8.795 5.169 1.00 0.00 C ATOM 1462 CG PRO A 124 -3.672 8.666 6.362 1.00 0.00 C ATOM 1463 CD PRO A 124 -4.029 7.208 6.456 1.00 0.00 C ATOM 0 HA PRO A 124 -1.770 7.146 4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -2.118 9.649 5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -3.370 8.945 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -3.161 9.002 7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -4.566 9.281 6.254 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -4.151 6.890 7.491 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -4.966 6.990 5.943 1.00 0.00 H new ATOM 1471 N ALA A 125 0.238 6.683 5.572 1.00 0.00 N ATOM 1472 CA ALA A 125 1.565 6.714 6.174 1.00 0.00 C ATOM 1473 C ALA A 125 2.075 8.145 6.304 1.00 0.00 C ATOM 1474 O ALA A 125 2.479 8.575 7.384 1.00 0.00 O ATOM 1475 CB ALA A 125 2.536 5.878 5.354 1.00 0.00 C ATOM 0 H ALA A 125 0.070 5.883 4.963 1.00 0.00 H new ATOM 0 HA ALA A 125 1.493 6.289 7.175 1.00 0.00 H new ATOM 0 HB1 ALA A 125 3.523 5.910 5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 125 2.186 4.846 5.317 1.00 0.00 H new ATOM 0 HB3 ALA A 125 2.595 6.278 4.342 1.00 0.00 H new