USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 822 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= -0.0405 (180deg=-0.369) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 127:sc= -2.94 USER MOD Single : A 32 SER OG : rot 180:sc= -0.997 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= -0.0832 (180deg=-0.191) USER MOD Single : A 42 TYR OH : rot -94:sc= 0.106 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 160:sc= 0.155 (180deg=0.0648) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -1.27 USER MOD Single : A 79 TYR OH : rot -92:sc= 1.21 USER MOD Single : A 84 MET CE :methyl 154:sc= -2.61 (180deg=-5.41!) USER MOD Single : A 97 ASN : amide:sc= -5.24! C(o=-5.2!,f=-5.2!) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.0379 USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-2.4!) USER MOD Single : A 106 SER OG : rot 91:sc= 0.255 USER MOD Single : A 111 THR OG1 : rot -61:sc= 1.1 USER MOD Single : A 112 LYS NZ :NH3+ -138:sc= 0.0174 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 1.06 K(o=1.1,f=-1.2!) USER MOD Single : A 119 GLN : amide:sc= -3.04! K(o=-3!,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 13 -0.636 -4.559 -12.431 1.00 0.00 N ATOM 91 CA LEU A 13 -1.519 -5.340 -11.572 1.00 0.00 C ATOM 92 C LEU A 13 -2.879 -4.668 -11.441 1.00 0.00 C ATOM 93 O LEU A 13 -2.974 -3.440 -11.401 1.00 0.00 O ATOM 94 CB LEU A 13 -0.892 -5.516 -10.187 1.00 0.00 C ATOM 95 CG LEU A 13 -1.600 -6.521 -9.278 1.00 0.00 C ATOM 96 CD1 LEU A 13 -0.994 -7.907 -9.441 1.00 0.00 C ATOM 97 CD2 LEU A 13 -1.523 -6.072 -7.826 1.00 0.00 C ATOM 0 HA LEU A 13 -1.658 -6.320 -12.029 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.144 -5.830 -10.312 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.874 -4.547 -9.687 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.649 -6.569 -9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.510 -8.609 -8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.100 -8.231 -10.476 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.063 -7.875 -9.177 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.032 -6.799 -7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.479 -5.996 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.003 -5.099 -7.720 1.00 0.00 H new ATOM 109 N ARG A 14 -3.932 -5.475 -11.372 1.00 0.00 N ATOM 110 CA ARG A 14 -5.285 -4.949 -11.244 1.00 0.00 C ATOM 111 C ARG A 14 -5.516 -4.384 -9.848 1.00 0.00 C ATOM 112 O ARG A 14 -5.766 -5.125 -8.897 1.00 0.00 O ATOM 113 CB ARG A 14 -6.314 -6.037 -11.543 1.00 0.00 C ATOM 114 CG ARG A 14 -6.072 -6.764 -12.855 1.00 0.00 C ATOM 115 CD ARG A 14 -6.796 -6.089 -14.009 1.00 0.00 C ATOM 116 NE ARG A 14 -8.243 -6.273 -13.930 1.00 0.00 N ATOM 117 CZ ARG A 14 -8.862 -7.416 -14.214 1.00 0.00 C ATOM 118 NH1 ARG A 14 -8.165 -8.480 -14.594 1.00 0.00 N ATOM 119 NH2 ARG A 14 -10.182 -7.496 -14.119 1.00 0.00 N ATOM 0 H ARG A 14 -3.875 -6.493 -11.402 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.403 -4.144 -11.969 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.309 -6.763 -10.730 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.307 -5.589 -11.564 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.003 -6.794 -13.063 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.409 -7.797 -12.767 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -6.565 -5.024 -14.008 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.430 -6.493 -14.953 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.813 -5.478 -13.640 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.149 -8.424 -14.670 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.645 -9.354 -14.810 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.723 -6.681 -13.828 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.657 -8.372 -14.337 1.00 0.00 H new ATOM 133 N ILE A 15 -5.427 -3.066 -9.737 1.00 0.00 N ATOM 134 CA ILE A 15 -5.621 -2.384 -8.465 1.00 0.00 C ATOM 135 C ILE A 15 -6.452 -1.119 -8.650 1.00 0.00 C ATOM 136 O ILE A 15 -6.122 -0.263 -9.470 1.00 0.00 O ATOM 137 CB ILE A 15 -4.271 -2.010 -7.828 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.357 -3.235 -7.760 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.479 -1.420 -6.440 1.00 0.00 C ATOM 140 CD1 ILE A 15 -1.957 -2.917 -7.281 1.00 0.00 C ATOM 0 H ILE A 15 -5.220 -2.444 -10.518 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.150 -3.071 -7.805 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.792 -1.255 -8.452 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.802 -3.974 -7.093 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.300 -3.691 -8.748 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.513 -1.162 -6.006 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.095 -0.524 -6.514 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.978 -2.152 -5.805 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.364 -3.831 -7.257 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.494 -2.202 -7.960 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.004 -2.489 -6.280 1.00 0.00 H new ATOM 152 N LYS A 16 -7.533 -1.006 -7.885 1.00 0.00 N ATOM 153 CA LYS A 16 -8.408 0.157 -7.971 1.00 0.00 C ATOM 154 C LYS A 16 -8.942 0.538 -6.595 1.00 0.00 C ATOM 155 O LYS A 16 -9.636 -0.247 -5.949 1.00 0.00 O ATOM 156 CB LYS A 16 -9.571 -0.123 -8.923 1.00 0.00 C ATOM 157 CG LYS A 16 -9.195 -0.015 -10.392 1.00 0.00 C ATOM 158 CD LYS A 16 -9.245 1.425 -10.876 1.00 0.00 C ATOM 159 CE LYS A 16 -8.311 1.648 -12.054 1.00 0.00 C ATOM 160 NZ LYS A 16 -8.148 3.095 -12.367 1.00 0.00 N ATOM 0 H LYS A 16 -7.823 -1.704 -7.200 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.824 0.992 -8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.956 -1.124 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.379 0.577 -8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.193 -0.416 -10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.875 -0.624 -10.988 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.265 1.678 -11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.970 2.094 -10.061 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.337 1.212 -11.832 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.701 1.129 -12.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.504 3.205 -13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.074 3.505 -12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.752 3.587 -11.540 1.00 0.00 H new ATOM 174 N VAL A 17 -8.614 1.747 -6.153 1.00 0.00 N ATOM 175 CA VAL A 17 -9.063 2.228 -4.851 1.00 0.00 C ATOM 176 C VAL A 17 -10.223 3.206 -5.002 1.00 0.00 C ATOM 177 O VAL A 17 -10.053 4.308 -5.525 1.00 0.00 O ATOM 178 CB VAL A 17 -7.925 2.917 -4.069 1.00 0.00 C ATOM 179 CG1 VAL A 17 -8.195 2.844 -2.575 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.574 2.296 -4.403 1.00 0.00 C ATOM 0 H VAL A 17 -8.041 2.410 -6.675 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.392 1.352 -4.291 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.892 3.965 -4.368 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.385 3.334 -2.035 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.136 3.346 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.258 1.800 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.791 2.802 -3.837 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.585 1.238 -4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.378 2.404 -5.470 1.00 0.00 H new ATOM 190 N ASP A 18 -11.400 2.797 -4.543 1.00 0.00 N ATOM 191 CA ASP A 18 -12.588 3.638 -4.628 1.00 0.00 C ATOM 192 C ASP A 18 -13.365 3.621 -3.316 1.00 0.00 C ATOM 193 O ASP A 18 -14.593 3.712 -3.309 1.00 0.00 O ATOM 194 CB ASP A 18 -13.489 3.170 -5.773 1.00 0.00 C ATOM 195 CG ASP A 18 -13.831 1.696 -5.675 1.00 0.00 C ATOM 196 OD1 ASP A 18 -14.752 1.351 -4.904 1.00 0.00 O ATOM 197 OD2 ASP A 18 -13.178 0.888 -6.367 1.00 0.00 O ATOM 0 H ASP A 18 -11.557 1.888 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.264 4.660 -4.823 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.409 3.754 -5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.993 3.362 -6.724 1.00 0.00 H new ATOM 202 N ASP A 19 -12.642 3.505 -2.206 1.00 0.00 N ATOM 203 CA ASP A 19 -13.265 3.477 -0.888 1.00 0.00 C ATOM 204 C ASP A 19 -12.393 4.190 0.139 1.00 0.00 C ATOM 205 O ASP A 19 -11.177 3.999 0.175 1.00 0.00 O ATOM 206 CB ASP A 19 -13.516 2.033 -0.450 1.00 0.00 C ATOM 207 CG ASP A 19 -14.917 1.562 -0.789 1.00 0.00 C ATOM 208 OD1 ASP A 19 -15.886 2.179 -0.300 1.00 0.00 O ATOM 209 OD2 ASP A 19 -15.045 0.575 -1.545 1.00 0.00 O ATOM 0 H ASP A 19 -11.625 3.429 -2.194 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.220 3.999 -0.952 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.789 1.379 -0.931 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.358 1.949 0.625 1.00 0.00 H new ATOM 214 N VAL A 20 -13.020 5.013 0.972 1.00 0.00 N ATOM 215 CA VAL A 20 -12.300 5.754 2.001 1.00 0.00 C ATOM 216 C VAL A 20 -13.191 6.030 3.207 1.00 0.00 C ATOM 217 O VAL A 20 -14.105 6.852 3.141 1.00 0.00 O ATOM 218 CB VAL A 20 -11.763 7.090 1.454 1.00 0.00 C ATOM 219 CG1 VAL A 20 -10.859 7.762 2.476 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.027 6.873 0.140 1.00 0.00 C ATOM 0 H VAL A 20 -14.025 5.184 0.955 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.460 5.132 2.312 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.610 7.750 1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.490 8.704 2.071 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.423 7.955 3.389 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.016 7.109 2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.655 7.828 -0.231 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.189 6.195 0.300 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.709 6.440 -0.592 1.00 0.00 H new ATOM 230 N LYS A 21 -12.918 5.339 4.309 1.00 0.00 N ATOM 231 CA LYS A 21 -13.696 5.510 5.531 1.00 0.00 C ATOM 232 C LYS A 21 -12.982 6.446 6.501 1.00 0.00 C ATOM 233 O LYS A 21 -11.917 6.120 7.025 1.00 0.00 O ATOM 234 CB LYS A 21 -13.941 4.156 6.199 1.00 0.00 C ATOM 235 CG LYS A 21 -15.158 4.138 7.109 1.00 0.00 C ATOM 236 CD LYS A 21 -15.856 2.787 7.083 1.00 0.00 C ATOM 237 CE LYS A 21 -17.368 2.940 7.071 1.00 0.00 C ATOM 238 NZ LYS A 21 -17.937 2.732 5.711 1.00 0.00 N ATOM 0 H LYS A 21 -12.164 4.656 4.381 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.655 5.953 5.263 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.064 3.396 5.427 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.060 3.882 6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.854 4.371 8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.857 4.915 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.539 2.230 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.555 2.204 7.954 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.811 2.224 7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.635 3.935 7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.970 2.845 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.534 3.432 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.705 1.774 5.380 1.00 0.00 H new ATOM 252 N ILE A 22 -13.576 7.613 6.735 1.00 0.00 N ATOM 253 CA ILE A 22 -12.997 8.596 7.641 1.00 0.00 C ATOM 254 C ILE A 22 -13.154 8.164 9.094 1.00 0.00 C ATOM 255 O ILE A 22 -14.248 7.807 9.532 1.00 0.00 O ATOM 256 CB ILE A 22 -13.648 9.982 7.458 1.00 0.00 C ATOM 257 CG1 ILE A 22 -13.785 10.321 5.972 1.00 0.00 C ATOM 258 CG2 ILE A 22 -12.831 11.045 8.174 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.476 10.263 5.214 1.00 0.00 C ATOM 0 H ILE A 22 -14.458 7.899 6.309 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.937 8.664 7.396 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.646 9.957 7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.492 9.629 5.514 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.208 11.321 5.873 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.301 12.019 8.037 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.783 10.812 9.238 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.822 11.068 7.761 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.650 10.515 4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.773 10.975 5.647 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.061 9.257 5.281 1.00 0.00 H new ATOM 271 N ASN A 23 -12.054 8.198 9.840 1.00 0.00 N ATOM 272 CA ASN A 23 -12.068 7.811 11.245 1.00 0.00 C ATOM 273 C ASN A 23 -11.448 8.901 12.117 1.00 0.00 C ATOM 274 O ASN A 23 -10.507 9.577 11.702 1.00 0.00 O ATOM 275 CB ASN A 23 -11.315 6.494 11.441 1.00 0.00 C ATOM 276 CG ASN A 23 -11.980 5.594 12.464 1.00 0.00 C ATOM 277 OD1 ASN A 23 -13.119 5.163 12.283 1.00 0.00 O ATOM 278 ND2 ASN A 23 -11.269 5.303 13.548 1.00 0.00 N ATOM 0 H ASN A 23 -11.140 8.490 9.493 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.106 7.676 11.548 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.251 5.970 10.487 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.294 6.706 11.757 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.664 4.701 14.270 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.328 5.682 13.658 1.00 0.00 H new ATOM 285 N PRO A 24 -11.970 9.088 13.342 1.00 0.00 N ATOM 286 CA PRO A 24 -11.462 10.104 14.271 1.00 0.00 C ATOM 287 C PRO A 24 -9.954 10.001 14.477 1.00 0.00 C ATOM 288 O PRO A 24 -9.290 10.992 14.780 1.00 0.00 O ATOM 289 CB PRO A 24 -12.201 9.798 15.575 1.00 0.00 C ATOM 290 CG PRO A 24 -13.452 9.111 15.150 1.00 0.00 C ATOM 291 CD PRO A 24 -13.095 8.326 13.918 1.00 0.00 C ATOM 0 HA PRO A 24 -11.630 11.114 13.898 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -11.603 9.163 16.229 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -12.419 10.711 16.130 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -13.823 8.455 15.937 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -14.241 9.833 14.938 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.805 7.304 14.163 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.934 8.262 13.225 1.00 0.00 H new ATOM 299 N LYS A 25 -9.420 8.796 14.313 1.00 0.00 N ATOM 300 CA LYS A 25 -7.991 8.563 14.483 1.00 0.00 C ATOM 301 C LYS A 25 -7.244 8.766 13.168 1.00 0.00 C ATOM 302 O LYS A 25 -6.146 9.320 13.145 1.00 0.00 O ATOM 303 CB LYS A 25 -7.742 7.150 15.011 1.00 0.00 C ATOM 304 CG LYS A 25 -8.092 6.979 16.481 1.00 0.00 C ATOM 305 CD LYS A 25 -9.209 5.965 16.678 1.00 0.00 C ATOM 306 CE LYS A 25 -8.669 4.632 17.171 1.00 0.00 C ATOM 307 NZ LYS A 25 -8.077 4.741 18.532 1.00 0.00 N ATOM 0 H LYS A 25 -9.956 7.965 14.062 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.616 9.286 15.208 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.326 6.443 14.422 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.692 6.896 14.864 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.207 6.658 17.031 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.395 7.940 16.897 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.933 6.353 17.395 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.739 5.819 15.737 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.474 3.897 17.183 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.914 4.267 16.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.125 3.817 19.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.084 5.040 18.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.608 5.443 19.086 1.00 0.00 H new ATOM 321 N TYR A 26 -7.848 8.313 12.074 1.00 0.00 N ATOM 322 CA TYR A 26 -7.240 8.445 10.755 1.00 0.00 C ATOM 323 C TYR A 26 -8.202 7.992 9.662 1.00 0.00 C ATOM 324 O TYR A 26 -9.161 7.267 9.926 1.00 0.00 O ATOM 325 CB TYR A 26 -5.945 7.631 10.680 1.00 0.00 C ATOM 326 CG TYR A 26 -6.033 6.283 11.360 1.00 0.00 C ATOM 327 CD1 TYR A 26 -6.992 5.352 10.980 1.00 0.00 C ATOM 328 CD2 TYR A 26 -5.157 5.941 12.383 1.00 0.00 C ATOM 329 CE1 TYR A 26 -7.075 4.120 11.600 1.00 0.00 C ATOM 330 CE2 TYR A 26 -5.233 4.711 13.007 1.00 0.00 C ATOM 331 CZ TYR A 26 -6.194 3.804 12.612 1.00 0.00 C ATOM 332 OH TYR A 26 -6.274 2.578 13.231 1.00 0.00 O ATOM 0 H TYR A 26 -8.758 7.851 12.075 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.008 9.498 10.596 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.680 7.483 9.633 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.138 8.206 11.135 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.684 5.595 10.187 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.404 6.649 12.696 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -7.827 3.408 11.293 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.544 4.461 13.800 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.581 2.514 13.921 1.00 0.00 H new ATOM 342 N VAL A 27 -7.940 8.426 8.434 1.00 0.00 N ATOM 343 CA VAL A 27 -8.782 8.067 7.300 1.00 0.00 C ATOM 344 C VAL A 27 -8.364 6.724 6.709 1.00 0.00 C ATOM 345 O VAL A 27 -7.188 6.499 6.424 1.00 0.00 O ATOM 346 CB VAL A 27 -8.726 9.139 6.195 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.756 8.847 5.115 1.00 0.00 C ATOM 348 CG2 VAL A 27 -8.938 10.525 6.784 1.00 0.00 C ATOM 0 H VAL A 27 -7.150 9.027 8.199 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.803 7.996 7.675 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.737 9.112 5.738 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.702 9.615 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.552 7.872 4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.753 8.845 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.895 11.269 5.988 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.913 10.569 7.270 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.158 10.732 7.517 1.00 0.00 H new ATOM 358 N LEU A 28 -9.337 5.837 6.525 1.00 0.00 N ATOM 359 CA LEU A 28 -9.069 4.517 5.965 1.00 0.00 C ATOM 360 C LEU A 28 -9.189 4.540 4.445 1.00 0.00 C ATOM 361 O LEU A 28 -9.822 5.429 3.876 1.00 0.00 O ATOM 362 CB LEU A 28 -10.035 3.486 6.553 1.00 0.00 C ATOM 363 CG LEU A 28 -9.940 3.300 8.068 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.826 2.150 8.521 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.497 3.060 8.487 1.00 0.00 C ATOM 0 H LEU A 28 -10.316 6.008 6.755 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.049 4.236 6.226 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.054 3.781 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.853 2.525 6.072 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.290 4.213 8.549 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.746 2.033 9.602 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.862 2.362 8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.507 1.230 8.031 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.449 2.930 9.568 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.120 2.163 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.887 3.915 8.197 1.00 0.00 H new ATOM 377 N TYR A 29 -8.575 3.559 3.792 1.00 0.00 N ATOM 378 CA TYR A 29 -8.613 3.472 2.338 1.00 0.00 C ATOM 379 C TYR A 29 -8.913 2.049 1.880 1.00 0.00 C ATOM 380 O TYR A 29 -8.153 1.122 2.165 1.00 0.00 O ATOM 381 CB TYR A 29 -7.283 3.939 1.745 1.00 0.00 C ATOM 382 CG TYR A 29 -7.140 5.443 1.683 1.00 0.00 C ATOM 383 CD1 TYR A 29 -7.596 6.157 0.583 1.00 0.00 C ATOM 384 CD2 TYR A 29 -6.550 6.147 2.725 1.00 0.00 C ATOM 385 CE1 TYR A 29 -7.467 7.532 0.522 1.00 0.00 C ATOM 386 CE2 TYR A 29 -6.418 7.522 2.672 1.00 0.00 C ATOM 387 CZ TYR A 29 -6.879 8.209 1.568 1.00 0.00 C ATOM 388 OH TYR A 29 -6.749 9.578 1.512 1.00 0.00 O ATOM 0 H TYR A 29 -8.046 2.814 4.246 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.413 4.122 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.466 3.529 2.340 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.181 3.531 0.739 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.059 5.630 -0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.189 5.611 3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.825 8.073 -0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.957 8.055 3.490 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.135 9.977 2.320 1.00 0.00 H new ATOM 398 N GLY A 30 -10.020 1.884 1.164 1.00 0.00 N ATOM 399 CA GLY A 30 -10.396 0.572 0.671 1.00 0.00 C ATOM 400 C GLY A 30 -9.774 0.269 -0.677 1.00 0.00 C ATOM 401 O GLY A 30 -10.272 0.714 -1.711 1.00 0.00 O ATOM 0 H GLY A 30 -10.664 2.635 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.088 -0.187 1.390 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.481 0.513 0.590 1.00 0.00 H new ATOM 405 N VAL A 31 -8.680 -0.485 -0.666 1.00 0.00 N ATOM 406 CA VAL A 31 -7.984 -0.838 -1.898 1.00 0.00 C ATOM 407 C VAL A 31 -8.565 -2.101 -2.521 1.00 0.00 C ATOM 408 O VAL A 31 -8.484 -3.186 -1.945 1.00 0.00 O ATOM 409 CB VAL A 31 -6.478 -1.050 -1.651 1.00 0.00 C ATOM 410 CG1 VAL A 31 -5.737 -1.213 -2.969 1.00 0.00 C ATOM 411 CG2 VAL A 31 -5.902 0.106 -0.847 1.00 0.00 C ATOM 0 H VAL A 31 -8.256 -0.863 0.181 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.121 -0.003 -2.585 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.349 -1.965 -1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.675 -1.362 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.132 -2.077 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.872 -0.318 -3.576 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.838 -0.060 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.043 1.037 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.412 0.171 0.114 1.00 0.00 H new ATOM 421 N SER A 32 -9.149 -1.949 -3.705 1.00 0.00 N ATOM 422 CA SER A 32 -9.742 -3.077 -4.415 1.00 0.00 C ATOM 423 C SER A 32 -8.693 -3.803 -5.250 1.00 0.00 C ATOM 424 O SER A 32 -7.894 -3.175 -5.944 1.00 0.00 O ATOM 425 CB SER A 32 -10.883 -2.597 -5.316 1.00 0.00 C ATOM 426 OG SER A 32 -11.901 -3.579 -5.415 1.00 0.00 O ATOM 0 H SER A 32 -9.224 -1.056 -4.193 1.00 0.00 H new ATOM 0 HA SER A 32 -10.140 -3.772 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.302 -1.673 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.495 -2.369 -6.309 1.00 0.00 H new ATOM 0 HG SER A 32 -12.619 -3.248 -5.994 1.00 0.00 H new ATOM 432 N THR A 33 -8.695 -5.130 -5.171 1.00 0.00 N ATOM 433 CA THR A 33 -7.738 -5.939 -5.916 1.00 0.00 C ATOM 434 C THR A 33 -8.328 -7.304 -6.258 1.00 0.00 C ATOM 435 O THR A 33 -9.331 -7.716 -5.677 1.00 0.00 O ATOM 436 CB THR A 33 -6.456 -6.109 -5.100 1.00 0.00 C ATOM 437 OG1 THR A 33 -6.759 -6.426 -3.752 1.00 0.00 O ATOM 438 CG2 THR A 33 -5.589 -4.869 -5.095 1.00 0.00 C ATOM 0 H THR A 33 -9.348 -5.667 -4.600 1.00 0.00 H new ATOM 0 HA THR A 33 -7.505 -5.426 -6.849 1.00 0.00 H new ATOM 0 HB THR A 33 -5.907 -6.919 -5.582 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.927 -6.532 -3.246 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.695 -5.053 -4.499 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.300 -4.623 -6.117 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.147 -4.037 -4.665 1.00 0.00 H new ATOM 446 N PRO A 34 -7.708 -8.031 -7.210 1.00 0.00 N ATOM 447 CA PRO A 34 -8.169 -9.354 -7.630 1.00 0.00 C ATOM 448 C PRO A 34 -8.609 -10.214 -6.451 1.00 0.00 C ATOM 449 O PRO A 34 -9.509 -11.045 -6.576 1.00 0.00 O ATOM 450 CB PRO A 34 -6.940 -9.970 -8.324 1.00 0.00 C ATOM 451 CG PRO A 34 -5.846 -8.949 -8.218 1.00 0.00 C ATOM 452 CD PRO A 34 -6.514 -7.631 -7.955 1.00 0.00 C ATOM 0 HA PRO A 34 -9.044 -9.291 -8.277 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.649 -10.904 -7.844 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.157 -10.202 -9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.157 -9.202 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.261 -8.911 -9.137 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.878 -6.961 -7.376 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.766 -7.111 -8.879 1.00 0.00 H new ATOM 460 N ASN A 35 -7.976 -9.999 -5.304 1.00 0.00 N ATOM 461 CA ASN A 35 -8.310 -10.744 -4.098 1.00 0.00 C ATOM 462 C ASN A 35 -9.584 -10.189 -3.471 1.00 0.00 C ATOM 463 O ASN A 35 -10.546 -10.921 -3.241 1.00 0.00 O ATOM 464 CB ASN A 35 -7.158 -10.677 -3.094 1.00 0.00 C ATOM 465 CG ASN A 35 -6.221 -11.865 -3.208 1.00 0.00 C ATOM 466 OD1 ASN A 35 -6.283 -12.798 -2.410 1.00 0.00 O ATOM 467 ND2 ASN A 35 -5.346 -11.833 -4.207 1.00 0.00 N ATOM 0 H ASN A 35 -7.229 -9.315 -5.184 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.476 -11.786 -4.370 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.595 -9.757 -3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.563 -10.633 -2.083 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.690 -12.603 -4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.330 -11.038 -4.846 1.00 0.00 H new ATOM 474 N LYS A 36 -9.581 -8.883 -3.202 1.00 0.00 N ATOM 475 CA LYS A 36 -10.734 -8.209 -2.607 1.00 0.00 C ATOM 476 C LYS A 36 -10.353 -6.819 -2.108 1.00 0.00 C ATOM 477 O LYS A 36 -9.205 -6.394 -2.237 1.00 0.00 O ATOM 478 CB LYS A 36 -11.312 -9.032 -1.451 1.00 0.00 C ATOM 479 CG LYS A 36 -10.253 -9.642 -0.547 1.00 0.00 C ATOM 480 CD LYS A 36 -10.733 -9.730 0.892 1.00 0.00 C ATOM 481 CE LYS A 36 -9.812 -10.595 1.738 1.00 0.00 C ATOM 482 NZ LYS A 36 -10.571 -11.567 2.570 1.00 0.00 N ATOM 0 H LYS A 36 -8.788 -8.269 -3.388 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.494 -8.109 -3.382 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.964 -8.395 -0.854 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -11.932 -9.830 -1.859 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.995 -10.638 -0.907 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.344 -9.042 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.787 -8.729 1.320 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.742 -10.142 0.915 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.123 -11.134 1.088 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.208 -9.958 2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.906 -12.137 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.211 -11.052 3.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.127 -12.192 1.953 1.00 0.00 H new ATOM 496 N ARG A 37 -11.326 -6.118 -1.535 1.00 0.00 N ATOM 497 CA ARG A 37 -11.096 -4.776 -1.012 1.00 0.00 C ATOM 498 C ARG A 37 -10.456 -4.837 0.371 1.00 0.00 C ATOM 499 O ARG A 37 -10.915 -5.570 1.247 1.00 0.00 O ATOM 500 CB ARG A 37 -12.412 -3.999 -0.945 1.00 0.00 C ATOM 501 CG ARG A 37 -12.274 -2.535 -1.331 1.00 0.00 C ATOM 502 CD ARG A 37 -12.806 -2.274 -2.731 1.00 0.00 C ATOM 503 NE ARG A 37 -14.242 -1.998 -2.728 1.00 0.00 N ATOM 504 CZ ARG A 37 -14.911 -1.543 -3.786 1.00 0.00 C ATOM 505 NH1 ARG A 37 -14.279 -1.310 -4.930 1.00 0.00 N ATOM 506 NH2 ARG A 37 -16.215 -1.322 -3.698 1.00 0.00 N ATOM 0 H ARG A 37 -12.281 -6.457 -1.421 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.413 -4.260 -1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.138 -4.473 -1.605 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.811 -4.063 0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -12.814 -1.916 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.226 -2.241 -1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -12.275 -1.429 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.604 -3.139 -3.363 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.761 -2.163 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.276 -1.479 -5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.797 -0.962 -5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.704 -1.500 -2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -16.729 -0.974 -4.507 1.00 0.00 H new ATOM 520 N LEU A 38 -9.394 -4.062 0.562 1.00 0.00 N ATOM 521 CA LEU A 38 -8.692 -4.030 1.840 1.00 0.00 C ATOM 522 C LEU A 38 -8.641 -2.611 2.398 1.00 0.00 C ATOM 523 O LEU A 38 -8.410 -1.651 1.663 1.00 0.00 O ATOM 524 CB LEU A 38 -7.273 -4.579 1.679 1.00 0.00 C ATOM 525 CG LEU A 38 -6.624 -5.091 2.966 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.282 -3.933 3.889 1.00 0.00 C ATOM 527 CD2 LEU A 38 -7.540 -6.083 3.668 1.00 0.00 C ATOM 0 H LEU A 38 -9.001 -3.448 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.240 -4.657 2.543 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.295 -5.392 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.642 -3.795 1.260 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.699 -5.605 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.821 -4.317 4.799 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.587 -3.260 3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.192 -3.390 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.062 -6.436 4.581 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.482 -5.595 3.917 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.733 -6.929 3.009 1.00 0.00 H new ATOM 539 N TYR A 39 -8.860 -2.488 3.702 1.00 0.00 N ATOM 540 CA TYR A 39 -8.839 -1.188 4.363 1.00 0.00 C ATOM 541 C TYR A 39 -7.495 -0.946 5.043 1.00 0.00 C ATOM 542 O TYR A 39 -7.117 -1.665 5.968 1.00 0.00 O ATOM 543 CB TYR A 39 -9.968 -1.098 5.392 1.00 0.00 C ATOM 544 CG TYR A 39 -11.339 -0.925 4.775 1.00 0.00 C ATOM 545 CD1 TYR A 39 -11.687 0.257 4.132 1.00 0.00 C ATOM 546 CD2 TYR A 39 -12.283 -1.941 4.837 1.00 0.00 C ATOM 547 CE1 TYR A 39 -12.938 0.420 3.569 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.535 -1.786 4.275 1.00 0.00 C ATOM 549 CZ TYR A 39 -13.858 -0.605 3.642 1.00 0.00 C ATOM 550 OH TYR A 39 -15.105 -0.446 3.082 1.00 0.00 O ATOM 0 H TYR A 39 -9.054 -3.273 4.323 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.986 -0.419 3.604 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -9.965 -2.001 6.002 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.772 -0.260 6.062 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.968 1.061 4.072 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.034 -2.868 5.333 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.194 1.345 3.074 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.258 -2.587 4.331 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.632 -1.261 3.220 1.00 0.00 H new ATOM 560 N LYS A 40 -6.778 0.072 4.577 1.00 0.00 N ATOM 561 CA LYS A 40 -5.476 0.409 5.140 1.00 0.00 C ATOM 562 C LYS A 40 -5.350 1.913 5.358 1.00 0.00 C ATOM 563 O LYS A 40 -6.069 2.701 4.744 1.00 0.00 O ATOM 564 CB LYS A 40 -4.359 -0.080 4.216 1.00 0.00 C ATOM 565 CG LYS A 40 -4.492 0.418 2.785 1.00 0.00 C ATOM 566 CD LYS A 40 -3.310 1.286 2.381 1.00 0.00 C ATOM 567 CE LYS A 40 -3.747 2.454 1.513 1.00 0.00 C ATOM 568 NZ LYS A 40 -3.847 3.719 2.293 1.00 0.00 N ATOM 0 H LYS A 40 -7.077 0.677 3.812 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.384 -0.088 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.399 0.244 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.352 -1.170 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.567 -0.433 2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.415 0.989 2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.811 1.662 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.582 0.682 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.036 2.586 0.697 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -4.713 2.229 1.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.260 4.463 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.452 3.567 3.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.898 4.011 2.604 1.00 0.00 H new ATOM 582 N ARG A 41 -4.429 2.304 6.233 1.00 0.00 N ATOM 583 CA ARG A 41 -4.208 3.714 6.532 1.00 0.00 C ATOM 584 C ARG A 41 -2.952 4.226 5.834 1.00 0.00 C ATOM 585 O ARG A 41 -2.069 3.447 5.475 1.00 0.00 O ATOM 586 CB ARG A 41 -4.088 3.926 8.042 1.00 0.00 C ATOM 587 CG ARG A 41 -5.175 3.229 8.843 1.00 0.00 C ATOM 588 CD ARG A 41 -4.684 1.910 9.421 1.00 0.00 C ATOM 589 NE ARG A 41 -3.617 2.105 10.399 1.00 0.00 N ATOM 590 CZ ARG A 41 -3.147 1.139 11.184 1.00 0.00 C ATOM 591 NH1 ARG A 41 -3.647 -0.089 11.111 1.00 0.00 N ATOM 592 NH2 ARG A 41 -2.174 1.399 12.047 1.00 0.00 N ATOM 0 H ARG A 41 -3.824 1.664 6.747 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.065 4.277 6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.115 3.565 8.375 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.121 4.995 8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.507 3.880 9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.039 3.048 8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.517 1.388 9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.324 1.272 8.614 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.208 3.036 10.485 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.396 -0.296 10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.282 -0.825 11.716 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.786 2.340 12.109 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.814 0.658 12.648 1.00 0.00 H new ATOM 606 N TYR A 42 -2.877 5.540 5.646 1.00 0.00 N ATOM 607 CA TYR A 42 -1.727 6.153 4.993 1.00 0.00 C ATOM 608 C TYR A 42 -0.445 5.862 5.765 1.00 0.00 C ATOM 609 O TYR A 42 0.568 5.473 5.184 1.00 0.00 O ATOM 610 CB TYR A 42 -1.929 7.664 4.866 1.00 0.00 C ATOM 611 CG TYR A 42 -0.910 8.338 3.974 1.00 0.00 C ATOM 612 CD1 TYR A 42 -1.054 8.328 2.592 1.00 0.00 C ATOM 613 CD2 TYR A 42 0.196 8.982 4.514 1.00 0.00 C ATOM 614 CE1 TYR A 42 -0.125 8.942 1.775 1.00 0.00 C ATOM 615 CE2 TYR A 42 1.130 9.598 3.703 1.00 0.00 C ATOM 616 CZ TYR A 42 0.965 9.575 2.334 1.00 0.00 C ATOM 617 OH TYR A 42 1.892 10.187 1.523 1.00 0.00 O ATOM 0 H TYR A 42 -3.599 6.200 5.937 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.635 5.722 3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.927 7.857 4.473 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.884 8.113 5.858 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.906 7.832 2.150 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.328 9.002 5.586 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.252 8.926 0.703 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.984 10.095 4.139 1.00 0.00 H new ATOM 0 HH TYR A 42 2.623 9.563 1.333 1.00 0.00 H new ATOM 627 N SER A 43 -0.498 6.049 7.081 1.00 0.00 N ATOM 628 CA SER A 43 0.658 5.802 7.935 1.00 0.00 C ATOM 629 C SER A 43 1.140 4.361 7.790 1.00 0.00 C ATOM 630 O SER A 43 2.322 4.070 7.970 1.00 0.00 O ATOM 631 CB SER A 43 0.311 6.094 9.396 1.00 0.00 C ATOM 632 OG SER A 43 1.396 6.714 10.064 1.00 0.00 O ATOM 0 H SER A 43 -1.329 6.370 7.578 1.00 0.00 H new ATOM 0 HA SER A 43 1.462 6.469 7.622 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.566 6.740 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.050 5.165 9.904 1.00 0.00 H new ATOM 0 HG SER A 43 1.148 6.892 10.995 1.00 0.00 H new ATOM 638 N GLU A 44 0.215 3.465 7.464 1.00 0.00 N ATOM 639 CA GLU A 44 0.544 2.054 7.292 1.00 0.00 C ATOM 640 C GLU A 44 1.429 1.851 6.065 1.00 0.00 C ATOM 641 O GLU A 44 2.356 1.042 6.086 1.00 0.00 O ATOM 642 CB GLU A 44 -0.736 1.222 7.164 1.00 0.00 C ATOM 643 CG GLU A 44 -1.026 0.363 8.383 1.00 0.00 C ATOM 644 CD GLU A 44 -1.862 -0.857 8.048 1.00 0.00 C ATOM 645 OE1 GLU A 44 -1.379 -1.718 7.283 1.00 0.00 O ATOM 646 OE2 GLU A 44 -3.002 -0.952 8.551 1.00 0.00 O ATOM 0 H GLU A 44 -0.768 3.690 7.313 1.00 0.00 H new ATOM 0 HA GLU A 44 1.094 1.721 8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.579 1.891 6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.656 0.579 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.085 0.043 8.830 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.546 0.962 9.130 1.00 0.00 H new ATOM 653 N PHE A 45 1.135 2.590 4.999 1.00 0.00 N ATOM 654 CA PHE A 45 1.908 2.488 3.765 1.00 0.00 C ATOM 655 C PHE A 45 3.375 2.823 4.016 1.00 0.00 C ATOM 656 O PHE A 45 4.260 2.013 3.739 1.00 0.00 O ATOM 657 CB PHE A 45 1.329 3.419 2.696 1.00 0.00 C ATOM 658 CG PHE A 45 0.929 2.705 1.436 1.00 0.00 C ATOM 659 CD1 PHE A 45 1.840 2.528 0.406 1.00 0.00 C ATOM 660 CD2 PHE A 45 -0.356 2.213 1.281 1.00 0.00 C ATOM 661 CE1 PHE A 45 1.476 1.872 -0.754 1.00 0.00 C ATOM 662 CE2 PHE A 45 -0.726 1.555 0.122 1.00 0.00 C ATOM 663 CZ PHE A 45 0.191 1.384 -0.897 1.00 0.00 C ATOM 0 H PHE A 45 0.370 3.264 4.964 1.00 0.00 H new ATOM 0 HA PHE A 45 1.846 1.460 3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.459 3.933 3.105 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.066 4.184 2.453 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.846 2.907 0.512 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.077 2.344 2.074 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.195 1.741 -1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.731 1.175 0.014 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.096 0.870 -1.803 1.00 0.00 H new ATOM 673 N TRP A 46 3.626 4.016 4.545 1.00 0.00 N ATOM 674 CA TRP A 46 4.990 4.446 4.836 1.00 0.00 C ATOM 675 C TRP A 46 5.661 3.472 5.799 1.00 0.00 C ATOM 676 O TRP A 46 6.868 3.239 5.723 1.00 0.00 O ATOM 677 CB TRP A 46 4.991 5.859 5.428 1.00 0.00 C ATOM 678 CG TRP A 46 6.340 6.303 5.909 1.00 0.00 C ATOM 679 CD1 TRP A 46 6.840 6.177 7.174 1.00 0.00 C ATOM 680 CD2 TRP A 46 7.362 6.940 5.135 1.00 0.00 C ATOM 681 NE1 TRP A 46 8.111 6.696 7.233 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.454 7.172 5.994 1.00 0.00 C ATOM 683 CE3 TRP A 46 7.460 7.337 3.799 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.627 7.783 5.558 1.00 0.00 C ATOM 685 CZ3 TRP A 46 8.626 7.943 3.368 1.00 0.00 C ATOM 686 CH2 TRP A 46 9.696 8.161 4.246 1.00 0.00 C ATOM 0 H TRP A 46 2.907 4.700 4.780 1.00 0.00 H new ATOM 0 HA TRP A 46 5.553 4.458 3.903 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.633 6.561 4.675 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.287 5.897 6.259 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.313 5.734 8.006 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.703 6.723 8.063 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.640 7.174 3.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.453 7.952 6.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 8.713 8.253 2.337 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.593 8.637 3.879 1.00 0.00 H new ATOM 697 N LYS A 47 4.870 2.905 6.703 1.00 0.00 N ATOM 698 CA LYS A 47 5.385 1.955 7.681 1.00 0.00 C ATOM 699 C LYS A 47 5.937 0.714 6.986 1.00 0.00 C ATOM 700 O LYS A 47 6.864 0.076 7.483 1.00 0.00 O ATOM 701 CB LYS A 47 4.285 1.559 8.668 1.00 0.00 C ATOM 702 CG LYS A 47 4.368 2.291 9.998 1.00 0.00 C ATOM 703 CD LYS A 47 5.444 1.698 10.895 1.00 0.00 C ATOM 704 CE LYS A 47 4.839 0.911 12.047 1.00 0.00 C ATOM 705 NZ LYS A 47 5.843 0.037 12.711 1.00 0.00 N ATOM 0 H LYS A 47 3.869 3.087 6.779 1.00 0.00 H new ATOM 0 HA LYS A 47 6.195 2.434 8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.314 1.756 8.215 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.340 0.486 8.849 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.581 3.345 9.821 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.403 2.240 10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.090 1.046 10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.072 2.497 11.289 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.420 1.602 12.778 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.015 0.301 11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.390 -0.482 13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.225 -0.640 12.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.617 0.621 13.087 1.00 0.00 H new ATOM 719 N LEU A 48 5.363 0.380 5.834 1.00 0.00 N ATOM 720 CA LEU A 48 5.799 -0.786 5.073 1.00 0.00 C ATOM 721 C LEU A 48 7.022 -0.454 4.223 1.00 0.00 C ATOM 722 O LEU A 48 7.862 -1.316 3.962 1.00 0.00 O ATOM 723 CB LEU A 48 4.663 -1.290 4.179 1.00 0.00 C ATOM 724 CG LEU A 48 5.035 -2.445 3.247 1.00 0.00 C ATOM 725 CD1 LEU A 48 5.313 -3.708 4.047 1.00 0.00 C ATOM 726 CD2 LEU A 48 3.930 -2.687 2.231 1.00 0.00 C ATOM 0 H LEU A 48 4.596 0.900 5.408 1.00 0.00 H new ATOM 0 HA LEU A 48 6.072 -1.570 5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.836 -1.608 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.300 -0.458 3.575 1.00 0.00 H new ATOM 0 HG LEU A 48 5.943 -2.174 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.576 -4.519 3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.139 -3.529 4.735 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.423 -3.983 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.212 -3.512 1.577 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.005 -2.936 2.752 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.780 -1.786 1.636 1.00 0.00 H new ATOM 738 N LYS A 49 7.116 0.799 3.791 1.00 0.00 N ATOM 739 CA LYS A 49 8.234 1.245 2.966 1.00 0.00 C ATOM 740 C LYS A 49 9.569 0.975 3.655 1.00 0.00 C ATOM 741 O LYS A 49 10.337 0.113 3.228 1.00 0.00 O ATOM 742 CB LYS A 49 8.100 2.737 2.654 1.00 0.00 C ATOM 743 CG LYS A 49 8.312 3.073 1.187 1.00 0.00 C ATOM 744 CD LYS A 49 8.955 4.438 1.014 1.00 0.00 C ATOM 745 CE LYS A 49 10.419 4.422 1.425 1.00 0.00 C ATOM 746 NZ LYS A 49 10.939 5.792 1.686 1.00 0.00 N ATOM 0 H LYS A 49 6.430 1.525 3.999 1.00 0.00 H new ATOM 0 HA LYS A 49 8.210 0.680 2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.109 3.075 2.956 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.822 3.291 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.942 2.312 0.726 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.355 3.052 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.872 4.751 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.416 5.173 1.612 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.538 3.812 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.011 3.953 0.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.796 5.732 2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.168 6.254 0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.216 6.348 2.186 1.00 0.00 H new ATOM 760 N THR A 50 9.842 1.723 4.719 1.00 0.00 N ATOM 761 CA THR A 50 11.088 1.570 5.465 1.00 0.00 C ATOM 762 C THR A 50 11.270 0.134 5.949 1.00 0.00 C ATOM 763 O THR A 50 12.396 -0.338 6.103 1.00 0.00 O ATOM 764 CB THR A 50 11.118 2.533 6.654 1.00 0.00 C ATOM 765 OG1 THR A 50 12.132 2.165 7.574 1.00 0.00 O ATOM 766 CG2 THR A 50 9.810 2.593 7.413 1.00 0.00 C ATOM 0 H THR A 50 9.218 2.442 5.085 1.00 0.00 H new ATOM 0 HA THR A 50 11.912 1.809 4.792 1.00 0.00 H new ATOM 0 HB THR A 50 11.313 3.515 6.222 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.136 2.794 8.326 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.902 3.294 8.242 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.016 2.925 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.568 1.603 7.800 1.00 0.00 H new ATOM 774 N ARG A 51 10.161 -0.558 6.184 1.00 0.00 N ATOM 775 CA ARG A 51 10.212 -1.940 6.644 1.00 0.00 C ATOM 776 C ARG A 51 10.927 -2.819 5.623 1.00 0.00 C ATOM 777 O ARG A 51 11.989 -3.376 5.900 1.00 0.00 O ATOM 778 CB ARG A 51 8.798 -2.469 6.891 1.00 0.00 C ATOM 779 CG ARG A 51 8.742 -3.601 7.899 1.00 0.00 C ATOM 780 CD ARG A 51 8.865 -3.086 9.323 1.00 0.00 C ATOM 781 NE ARG A 51 8.897 -4.173 10.300 1.00 0.00 N ATOM 782 CZ ARG A 51 8.871 -3.986 11.618 1.00 0.00 C ATOM 783 NH1 ARG A 51 8.812 -2.759 12.121 1.00 0.00 N ATOM 784 NH2 ARG A 51 8.903 -5.029 12.435 1.00 0.00 N ATOM 0 H ARG A 51 9.219 -0.186 6.064 1.00 0.00 H new ATOM 0 HA ARG A 51 10.770 -1.970 7.580 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.169 -1.651 7.241 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.377 -2.813 5.946 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.803 -4.143 7.787 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.545 -4.310 7.697 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.773 -2.489 9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.026 -2.426 9.543 1.00 0.00 H new ATOM 0 HE ARG A 51 8.942 -5.131 9.952 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.786 -1.953 11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.792 -2.623 13.132 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.948 -5.974 12.054 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.883 -4.887 13.445 1.00 0.00 H new ATOM 798 N LEU A 52 10.336 -2.930 4.437 1.00 0.00 N ATOM 799 CA LEU A 52 10.910 -3.730 3.358 1.00 0.00 C ATOM 800 C LEU A 52 12.393 -3.427 3.180 1.00 0.00 C ATOM 801 O LEU A 52 13.181 -4.305 2.834 1.00 0.00 O ATOM 802 CB LEU A 52 10.172 -3.457 2.046 1.00 0.00 C ATOM 803 CG LEU A 52 8.658 -3.664 2.093 1.00 0.00 C ATOM 804 CD1 LEU A 52 7.977 -2.880 0.984 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.324 -5.142 1.986 1.00 0.00 C ATOM 0 H LEU A 52 9.456 -2.474 4.197 1.00 0.00 H new ATOM 0 HA LEU A 52 10.799 -4.781 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.372 -2.429 1.742 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.587 -4.104 1.273 1.00 0.00 H new ATOM 0 HG LEU A 52 8.287 -3.294 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.900 -3.040 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.192 -1.818 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.350 -3.219 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.243 -5.274 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.707 -5.534 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.782 -5.680 2.816 1.00 0.00 H new ATOM 817 N GLU A 53 12.766 -2.173 3.415 1.00 0.00 N ATOM 818 CA GLU A 53 14.155 -1.751 3.276 1.00 0.00 C ATOM 819 C GLU A 53 15.053 -2.512 4.246 1.00 0.00 C ATOM 820 O GLU A 53 16.131 -2.978 3.876 1.00 0.00 O ATOM 821 CB GLU A 53 14.283 -0.247 3.517 1.00 0.00 C ATOM 822 CG GLU A 53 13.512 0.598 2.517 1.00 0.00 C ATOM 823 CD GLU A 53 14.048 2.012 2.412 1.00 0.00 C ATOM 824 OE1 GLU A 53 15.262 2.170 2.163 1.00 0.00 O ATOM 825 OE2 GLU A 53 13.254 2.962 2.579 1.00 0.00 O ATOM 0 H GLU A 53 12.126 -1.432 3.702 1.00 0.00 H new ATOM 0 HA GLU A 53 14.475 -1.975 2.259 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.930 -0.017 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.336 0.030 3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.555 0.123 1.537 1.00 0.00 H new ATOM 0 HG3 GLU A 53 12.462 0.632 2.809 1.00 0.00 H new ATOM 832 N ARG A 54 14.601 -2.636 5.490 1.00 0.00 N ATOM 833 CA ARG A 54 15.362 -3.340 6.515 1.00 0.00 C ATOM 834 C ARG A 54 14.994 -4.823 6.558 1.00 0.00 C ATOM 835 O ARG A 54 15.721 -5.634 7.130 1.00 0.00 O ATOM 836 CB ARG A 54 15.121 -2.704 7.885 1.00 0.00 C ATOM 837 CG ARG A 54 15.203 -1.186 7.871 1.00 0.00 C ATOM 838 CD ARG A 54 16.640 -0.709 7.735 1.00 0.00 C ATOM 839 NE ARG A 54 16.737 0.749 7.759 1.00 0.00 N ATOM 840 CZ ARG A 54 16.472 1.526 6.712 1.00 0.00 C ATOM 841 NH1 ARG A 54 16.093 0.991 5.558 1.00 0.00 N ATOM 842 NH2 ARG A 54 16.587 2.843 6.820 1.00 0.00 N ATOM 0 H ARG A 54 13.710 -2.257 5.812 1.00 0.00 H new ATOM 0 HA ARG A 54 16.419 -3.258 6.261 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.138 -3.004 8.248 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.854 -3.093 8.592 1.00 0.00 H new ATOM 0 HG2 ARG A 54 14.609 -0.796 7.045 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.772 -0.788 8.790 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.239 -1.126 8.545 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.060 -1.085 6.802 1.00 0.00 H new ATOM 0 HE ARG A 54 17.025 1.197 8.629 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.003 -0.021 5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.891 1.592 4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.878 3.259 7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.384 3.440 6.018 1.00 0.00 H new ATOM 856 N ASP A 55 13.862 -5.171 5.952 1.00 0.00 N ATOM 857 CA ASP A 55 13.405 -6.556 5.925 1.00 0.00 C ATOM 858 C ASP A 55 13.980 -7.294 4.722 1.00 0.00 C ATOM 859 O ASP A 55 14.292 -8.481 4.799 1.00 0.00 O ATOM 860 CB ASP A 55 11.877 -6.609 5.888 1.00 0.00 C ATOM 861 CG ASP A 55 11.266 -6.672 7.274 1.00 0.00 C ATOM 862 OD1 ASP A 55 11.607 -5.810 8.112 1.00 0.00 O ATOM 863 OD2 ASP A 55 10.449 -7.583 7.522 1.00 0.00 O ATOM 0 H ASP A 55 13.246 -4.514 5.474 1.00 0.00 H new ATOM 0 HA ASP A 55 13.757 -7.047 6.832 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.498 -5.730 5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.560 -7.480 5.315 1.00 0.00 H new ATOM 868 N VAL A 56 14.122 -6.578 3.611 1.00 0.00 N ATOM 869 CA VAL A 56 14.662 -7.158 2.390 1.00 0.00 C ATOM 870 C VAL A 56 16.150 -6.860 2.261 1.00 0.00 C ATOM 871 O VAL A 56 16.908 -7.650 1.697 1.00 0.00 O ATOM 872 CB VAL A 56 13.934 -6.621 1.144 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.395 -7.359 -0.103 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.428 -6.734 1.315 1.00 0.00 C ATOM 0 H VAL A 56 13.869 -5.593 3.533 1.00 0.00 H new ATOM 0 HA VAL A 56 14.510 -8.235 2.453 1.00 0.00 H new ATOM 0 HB VAL A 56 14.183 -5.567 1.026 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.870 -6.966 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.468 -7.219 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.178 -8.422 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.931 -6.350 0.424 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.156 -7.779 1.460 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.116 -6.154 2.184 1.00 0.00 H new ATOM 884 N GLY A 57 16.560 -5.712 2.786 1.00 0.00 N ATOM 885 CA GLY A 57 17.955 -5.321 2.720 1.00 0.00 C ATOM 886 C GLY A 57 18.266 -4.478 1.497 1.00 0.00 C ATOM 887 O GLY A 57 19.334 -3.873 1.409 1.00 0.00 O ATOM 0 H GLY A 57 15.950 -5.044 3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.215 -4.761 3.619 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.579 -6.215 2.709 1.00 0.00 H new ATOM 891 N SER A 58 17.332 -4.437 0.550 1.00 0.00 N ATOM 892 CA SER A 58 17.515 -3.660 -0.670 1.00 0.00 C ATOM 893 C SER A 58 16.740 -2.349 -0.600 1.00 0.00 C ATOM 894 O SER A 58 15.921 -2.147 0.296 1.00 0.00 O ATOM 895 CB SER A 58 17.065 -4.469 -1.886 1.00 0.00 C ATOM 896 OG SER A 58 17.920 -4.245 -2.994 1.00 0.00 O ATOM 0 H SER A 58 16.442 -4.933 0.605 1.00 0.00 H new ATOM 0 HA SER A 58 18.576 -3.429 -0.769 1.00 0.00 H new ATOM 0 HB2 SER A 58 17.057 -5.530 -1.638 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.043 -4.196 -2.150 1.00 0.00 H new ATOM 0 HG SER A 58 17.611 -4.775 -3.758 1.00 0.00 H new ATOM 902 N THR A 59 17.001 -1.462 -1.554 1.00 0.00 N ATOM 903 CA THR A 59 16.327 -0.171 -1.602 1.00 0.00 C ATOM 904 C THR A 59 14.986 -0.287 -2.321 1.00 0.00 C ATOM 905 O THR A 59 14.767 -1.213 -3.102 1.00 0.00 O ATOM 906 CB THR A 59 17.211 0.869 -2.296 1.00 0.00 C ATOM 907 OG1 THR A 59 16.699 2.174 -2.097 1.00 0.00 O ATOM 908 CG2 THR A 59 17.339 0.650 -3.789 1.00 0.00 C ATOM 0 H THR A 59 17.675 -1.614 -2.304 1.00 0.00 H new ATOM 0 HA THR A 59 16.142 0.154 -0.578 1.00 0.00 H new ATOM 0 HB THR A 59 18.196 0.756 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 59 17.278 2.825 -2.546 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.979 1.422 -4.217 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.778 -0.330 -3.977 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.353 0.700 -4.250 1.00 0.00 H new ATOM 916 N ILE A 60 14.093 0.659 -2.053 1.00 0.00 N ATOM 917 CA ILE A 60 12.775 0.663 -2.675 1.00 0.00 C ATOM 918 C ILE A 60 12.647 1.808 -3.684 1.00 0.00 C ATOM 919 O ILE A 60 12.837 2.972 -3.331 1.00 0.00 O ATOM 920 CB ILE A 60 11.657 0.780 -1.617 1.00 0.00 C ATOM 921 CG1 ILE A 60 10.303 0.439 -2.239 1.00 0.00 C ATOM 922 CG2 ILE A 60 11.631 2.174 -1.005 1.00 0.00 C ATOM 923 CD1 ILE A 60 9.917 -1.017 -2.080 1.00 0.00 C ATOM 0 H ILE A 60 14.258 1.433 -1.409 1.00 0.00 H new ATOM 0 HA ILE A 60 12.663 -0.286 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 60 11.864 0.067 -0.819 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.534 1.063 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.326 0.687 -3.300 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.835 2.231 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.589 2.379 -0.526 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.451 2.911 -1.787 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.946 -1.189 -2.544 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.666 -1.646 -2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.861 -1.265 -1.020 1.00 0.00 H new ATOM 935 N PRO A 61 12.333 1.500 -4.958 1.00 0.00 N ATOM 936 CA PRO A 61 12.195 2.508 -6.004 1.00 0.00 C ATOM 937 C PRO A 61 10.796 3.120 -6.065 1.00 0.00 C ATOM 938 O PRO A 61 10.303 3.447 -7.144 1.00 0.00 O ATOM 939 CB PRO A 61 12.491 1.730 -7.297 1.00 0.00 C ATOM 940 CG PRO A 61 12.571 0.279 -6.917 1.00 0.00 C ATOM 941 CD PRO A 61 12.100 0.157 -5.493 1.00 0.00 C ATOM 0 HA PRO A 61 12.862 3.353 -5.830 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.707 1.894 -8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.426 2.065 -7.745 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.951 -0.325 -7.579 1.00 0.00 H new ATOM 0 HG3 PRO A 61 13.593 -0.087 -7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.048 -0.124 -5.438 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.661 -0.600 -4.945 1.00 0.00 H new ATOM 949 N TYR A 62 10.159 3.278 -4.908 1.00 0.00 N ATOM 950 CA TYR A 62 8.822 3.857 -4.849 1.00 0.00 C ATOM 951 C TYR A 62 8.861 5.254 -4.239 1.00 0.00 C ATOM 952 O TYR A 62 9.470 5.468 -3.192 1.00 0.00 O ATOM 953 CB TYR A 62 7.891 2.959 -4.035 1.00 0.00 C ATOM 954 CG TYR A 62 7.568 1.649 -4.715 1.00 0.00 C ATOM 955 CD1 TYR A 62 7.172 1.614 -6.045 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.661 0.448 -4.025 1.00 0.00 C ATOM 957 CE1 TYR A 62 6.877 0.417 -6.670 1.00 0.00 C ATOM 958 CE2 TYR A 62 7.367 -0.753 -4.642 1.00 0.00 C ATOM 959 CZ TYR A 62 6.975 -0.764 -5.964 1.00 0.00 C ATOM 960 OH TYR A 62 6.682 -1.958 -6.581 1.00 0.00 O ATOM 0 H TYR A 62 10.546 3.014 -4.002 1.00 0.00 H new ATOM 0 HA TYR A 62 8.442 3.935 -5.867 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.351 2.753 -3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.963 3.495 -3.838 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.093 2.537 -6.600 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.968 0.452 -2.990 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.571 0.406 -7.706 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.444 -1.679 -4.091 1.00 0.00 H new ATOM 0 HH TYR A 62 6.802 -2.693 -5.944 1.00 0.00 H new ATOM 970 N ASP A 63 8.204 6.201 -4.901 1.00 0.00 N ATOM 971 CA ASP A 63 8.162 7.578 -4.421 1.00 0.00 C ATOM 972 C ASP A 63 7.173 7.720 -3.269 1.00 0.00 C ATOM 973 O ASP A 63 5.991 7.402 -3.410 1.00 0.00 O ATOM 974 CB ASP A 63 7.776 8.525 -5.560 1.00 0.00 C ATOM 975 CG ASP A 63 6.440 8.170 -6.180 1.00 0.00 C ATOM 976 OD1 ASP A 63 6.000 7.013 -6.021 1.00 0.00 O ATOM 977 OD2 ASP A 63 5.832 9.051 -6.826 1.00 0.00 O ATOM 0 H ASP A 63 7.694 6.041 -5.770 1.00 0.00 H new ATOM 0 HA ASP A 63 9.156 7.842 -4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.738 9.547 -5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.549 8.498 -6.329 1.00 0.00 H new ATOM 982 N PHE A 64 7.662 8.195 -2.129 1.00 0.00 N ATOM 983 CA PHE A 64 6.819 8.375 -0.953 1.00 0.00 C ATOM 984 C PHE A 64 7.141 9.688 -0.241 1.00 0.00 C ATOM 985 O PHE A 64 8.071 9.752 0.564 1.00 0.00 O ATOM 986 CB PHE A 64 7.000 7.203 0.012 1.00 0.00 C ATOM 987 CG PHE A 64 5.765 6.875 0.801 1.00 0.00 C ATOM 988 CD1 PHE A 64 4.998 7.882 1.365 1.00 0.00 C ATOM 989 CD2 PHE A 64 5.371 5.559 0.978 1.00 0.00 C ATOM 990 CE1 PHE A 64 3.861 7.583 2.092 1.00 0.00 C ATOM 991 CE2 PHE A 64 4.235 5.253 1.703 1.00 0.00 C ATOM 992 CZ PHE A 64 3.479 6.266 2.261 1.00 0.00 C ATOM 0 H PHE A 64 8.637 8.462 -1.994 1.00 0.00 H new ATOM 0 HA PHE A 64 5.781 8.410 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.304 6.322 -0.553 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.811 7.434 0.703 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.292 8.913 1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 64 5.958 4.763 0.545 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.272 8.377 2.527 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.938 4.223 1.833 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.591 6.029 2.828 1.00 0.00 H new ATOM 1002 N PRO A 65 6.373 10.756 -0.524 1.00 0.00 N ATOM 1003 CA PRO A 65 6.584 12.065 0.097 1.00 0.00 C ATOM 1004 C PRO A 65 6.043 12.122 1.522 1.00 0.00 C ATOM 1005 O PRO A 65 4.831 12.134 1.736 1.00 0.00 O ATOM 1006 CB PRO A 65 5.798 13.007 -0.811 1.00 0.00 C ATOM 1007 CG PRO A 65 4.689 12.169 -1.347 1.00 0.00 C ATOM 1008 CD PRO A 65 5.241 10.771 -1.472 1.00 0.00 C ATOM 0 HA PRO A 65 7.641 12.315 0.185 1.00 0.00 H new ATOM 0 HB2 PRO A 65 5.416 13.865 -0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.423 13.398 -1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.828 12.189 -0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.351 12.542 -2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.493 10.021 -1.215 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.568 10.559 -2.490 1.00 0.00 H new ATOM 1258 N TYR A 79 -6.260 15.851 8.033 1.00 0.00 N ATOM 1259 CA TYR A 79 -6.078 14.485 7.560 1.00 0.00 C ATOM 1260 C TYR A 79 -7.373 13.930 6.968 1.00 0.00 C ATOM 1261 O TYR A 79 -7.349 13.005 6.158 1.00 0.00 O ATOM 1262 CB TYR A 79 -5.595 13.586 8.701 1.00 0.00 C ATOM 1263 CG TYR A 79 -6.638 13.335 9.768 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -6.898 14.283 10.750 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -7.362 12.149 9.793 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -7.850 14.056 11.726 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -8.315 11.916 10.764 1.00 0.00 C ATOM 1268 CZ TYR A 79 -8.556 12.871 11.729 1.00 0.00 C ATOM 1269 OH TYR A 79 -9.504 12.642 12.699 1.00 0.00 O ATOM 0 HA TYR A 79 -5.322 14.500 6.775 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.276 12.630 8.287 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.719 14.041 9.163 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.347 15.212 10.751 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.176 11.397 9.040 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -8.040 14.803 12.483 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -8.870 10.989 10.768 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.093 12.172 13.454 1.00 0.00 H new ATOM 1279 N ASP A 80 -8.503 14.501 7.380 1.00 0.00 N ATOM 1280 CA ASP A 80 -9.803 14.061 6.890 1.00 0.00 C ATOM 1281 C ASP A 80 -10.342 15.019 5.831 1.00 0.00 C ATOM 1282 O ASP A 80 -11.555 15.172 5.681 1.00 0.00 O ATOM 1283 CB ASP A 80 -10.796 13.949 8.047 1.00 0.00 C ATOM 1284 CG ASP A 80 -11.026 15.278 8.741 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -11.393 16.253 8.051 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -10.839 15.344 9.975 1.00 0.00 O ATOM 0 H ASP A 80 -8.542 15.268 8.051 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.676 13.080 6.433 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.746 13.569 7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.426 13.223 8.771 1.00 0.00 H new ATOM 1291 N ASP A 81 -9.436 15.659 5.099 1.00 0.00 N ATOM 1292 CA ASP A 81 -9.826 16.600 4.054 1.00 0.00 C ATOM 1293 C ASP A 81 -9.901 15.903 2.696 1.00 0.00 C ATOM 1294 O ASP A 81 -8.922 15.310 2.241 1.00 0.00 O ATOM 1295 CB ASP A 81 -8.834 17.763 3.988 1.00 0.00 C ATOM 1296 CG ASP A 81 -9.104 18.816 5.044 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -9.721 18.477 6.077 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -8.700 19.979 4.839 1.00 0.00 O ATOM 0 H ASP A 81 -8.429 15.544 5.209 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.814 16.989 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.821 17.380 4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.882 18.222 3.001 1.00 0.00 H new ATOM 1303 N PRO A 82 -11.067 15.961 2.024 1.00 0.00 N ATOM 1304 CA PRO A 82 -11.253 15.329 0.713 1.00 0.00 C ATOM 1305 C PRO A 82 -10.180 15.744 -0.287 1.00 0.00 C ATOM 1306 O PRO A 82 -9.757 14.948 -1.124 1.00 0.00 O ATOM 1307 CB PRO A 82 -12.626 15.833 0.264 1.00 0.00 C ATOM 1308 CG PRO A 82 -13.342 16.157 1.529 1.00 0.00 C ATOM 1309 CD PRO A 82 -12.291 16.645 2.485 1.00 0.00 C ATOM 0 HA PRO A 82 -11.183 14.243 0.772 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.536 16.711 -0.376 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -13.158 15.074 -0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -14.103 16.920 1.363 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.852 15.279 1.925 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.185 17.729 2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.533 16.385 3.516 1.00 0.00 H new ATOM 1317 N GLU A 83 -9.739 16.996 -0.192 1.00 0.00 N ATOM 1318 CA GLU A 83 -8.711 17.514 -1.090 1.00 0.00 C ATOM 1319 C GLU A 83 -7.446 16.665 -1.004 1.00 0.00 C ATOM 1320 O GLU A 83 -6.931 16.196 -2.019 1.00 0.00 O ATOM 1321 CB GLU A 83 -8.391 18.971 -0.746 1.00 0.00 C ATOM 1322 CG GLU A 83 -9.058 19.974 -1.672 1.00 0.00 C ATOM 1323 CD GLU A 83 -8.088 20.584 -2.666 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -7.391 19.819 -3.363 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -8.026 21.830 -2.746 1.00 0.00 O ATOM 0 H GLU A 83 -10.077 17.669 0.496 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.091 17.468 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.704 19.171 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.311 19.116 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.866 19.482 -2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -9.510 20.768 -1.077 1.00 0.00 H new ATOM 1332 N MET A 84 -6.956 16.467 0.214 1.00 0.00 N ATOM 1333 CA MET A 84 -5.758 15.669 0.438 1.00 0.00 C ATOM 1334 C MET A 84 -6.066 14.184 0.266 1.00 0.00 C ATOM 1335 O MET A 84 -5.228 13.413 -0.201 1.00 0.00 O ATOM 1336 CB MET A 84 -5.201 15.933 1.840 1.00 0.00 C ATOM 1337 CG MET A 84 -4.001 15.069 2.200 1.00 0.00 C ATOM 1338 SD MET A 84 -4.152 14.310 3.829 1.00 0.00 S ATOM 1339 CE MET A 84 -5.766 13.544 3.703 1.00 0.00 C ATOM 0 H MET A 84 -7.372 16.849 1.063 1.00 0.00 H new ATOM 0 HA MET A 84 -5.008 15.956 -0.299 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.916 16.982 1.915 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.991 15.764 2.572 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.883 14.288 1.449 1.00 0.00 H new ATOM 0 HG3 MET A 84 -3.098 15.679 2.170 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.819 12.693 4.382 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.535 14.269 3.969 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.928 13.202 2.681 1.00 0.00 H new ATOM 1349 N ILE A 85 -7.278 13.796 0.645 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.710 12.408 0.534 1.00 0.00 C ATOM 1351 C ILE A 85 -7.815 11.985 -0.929 1.00 0.00 C ATOM 1352 O ILE A 85 -7.439 10.870 -1.291 1.00 0.00 O ATOM 1353 CB ILE A 85 -9.070 12.196 1.234 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.926 12.421 2.741 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.617 10.803 0.955 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -10.237 12.717 3.437 1.00 0.00 C ATOM 0 H ILE A 85 -7.981 14.425 1.033 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.959 11.790 1.027 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.778 12.922 0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.477 11.535 3.191 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.238 13.249 2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.575 10.681 1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.753 10.674 -0.119 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.915 10.056 1.324 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.058 12.865 4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.678 13.620 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.920 11.880 3.297 1.00 0.00 H new ATOM 1368 N ASP A 86 -8.329 12.881 -1.764 1.00 0.00 N ATOM 1369 CA ASP A 86 -8.485 12.601 -3.188 1.00 0.00 C ATOM 1370 C ASP A 86 -7.149 12.215 -3.818 1.00 0.00 C ATOM 1371 O ASP A 86 -7.089 11.341 -4.682 1.00 0.00 O ATOM 1372 CB ASP A 86 -9.070 13.819 -3.907 1.00 0.00 C ATOM 1373 CG ASP A 86 -10.550 13.662 -4.195 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -11.368 14.054 -3.336 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -10.892 13.148 -5.282 1.00 0.00 O ATOM 0 H ASP A 86 -8.645 13.808 -1.480 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.171 11.761 -3.295 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.913 14.708 -3.296 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.535 13.977 -4.843 1.00 0.00 H new ATOM 1380 N GLU A 87 -6.081 12.873 -3.379 1.00 0.00 N ATOM 1381 CA GLU A 87 -4.747 12.597 -3.901 1.00 0.00 C ATOM 1382 C GLU A 87 -4.103 11.431 -3.160 1.00 0.00 C ATOM 1383 O GLU A 87 -3.426 10.599 -3.764 1.00 0.00 O ATOM 1384 CB GLU A 87 -3.864 13.841 -3.786 1.00 0.00 C ATOM 1385 CG GLU A 87 -4.336 15.004 -4.645 1.00 0.00 C ATOM 1386 CD GLU A 87 -3.197 15.691 -5.373 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -2.298 16.229 -4.693 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -3.205 15.693 -6.621 1.00 0.00 O ATOM 0 H GLU A 87 -6.113 13.600 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.844 12.326 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.833 14.159 -2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.845 13.580 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -5.062 14.642 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.851 15.730 -4.016 1.00 0.00 H new ATOM 1395 N ARG A 88 -4.322 11.371 -1.851 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.764 10.299 -1.033 1.00 0.00 C ATOM 1397 C ARG A 88 -4.186 8.935 -1.573 1.00 0.00 C ATOM 1398 O ARG A 88 -3.496 7.935 -1.371 1.00 0.00 O ATOM 1399 CB ARG A 88 -4.212 10.451 0.423 1.00 0.00 C ATOM 1400 CG ARG A 88 -3.079 10.804 1.373 1.00 0.00 C ATOM 1401 CD ARG A 88 -2.486 12.166 1.051 1.00 0.00 C ATOM 1402 NE ARG A 88 -1.237 12.057 0.301 1.00 0.00 N ATOM 1403 CZ ARG A 88 -0.684 13.064 -0.370 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -1.266 14.257 -0.386 1.00 0.00 N ATOM 1405 NH2 ARG A 88 0.452 12.880 -1.026 1.00 0.00 N ATOM 0 H ARG A 88 -4.881 12.050 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.677 10.367 -1.075 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.978 11.225 0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.674 9.520 0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.448 10.800 2.399 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.301 10.043 1.311 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.205 12.747 0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.306 12.711 1.978 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.761 11.155 0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.141 14.405 0.117 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.838 15.026 -0.902 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.904 11.966 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 88 0.875 13.653 -1.540 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.323 8.904 -2.263 1.00 0.00 N ATOM 1420 CA ARG A 89 -5.836 7.666 -2.836 1.00 0.00 C ATOM 1421 C ARG A 89 -4.888 7.132 -3.904 1.00 0.00 C ATOM 1422 O ARG A 89 -4.387 6.012 -3.801 1.00 0.00 O ATOM 1423 CB ARG A 89 -7.225 7.896 -3.435 1.00 0.00 C ATOM 1424 CG ARG A 89 -8.204 6.768 -3.152 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.499 6.948 -3.928 1.00 0.00 C ATOM 1426 NE ARG A 89 -10.423 7.853 -3.248 1.00 0.00 N ATOM 1427 CZ ARG A 89 -11.443 8.461 -3.849 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -11.673 8.266 -5.142 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -12.236 9.267 -3.156 1.00 0.00 N ATOM 0 H ARG A 89 -5.906 9.723 -2.438 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.911 6.926 -2.039 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.632 8.827 -3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.130 8.022 -4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.749 5.814 -3.418 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.420 6.731 -2.084 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.275 7.337 -4.921 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.977 5.978 -4.066 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.278 8.029 -2.254 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.066 7.647 -5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.456 8.735 -5.597 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.064 9.421 -2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -13.018 9.733 -3.617 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.647 7.940 -4.933 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.758 7.543 -6.019 1.00 0.00 C ATOM 1445 C ILE A 90 -2.336 7.323 -5.519 1.00 0.00 C ATOM 1446 O ILE A 90 -1.980 7.741 -4.418 1.00 0.00 O ATOM 1447 CB ILE A 90 -3.731 8.592 -7.146 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -3.577 10.003 -6.566 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -4.989 8.480 -7.994 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -3.797 11.106 -7.577 1.00 0.00 C ATOM 0 H ILE A 90 -5.053 8.870 -5.037 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.153 6.607 -6.414 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.870 8.401 -7.786 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.284 10.128 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.578 10.105 -6.143 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.960 9.226 -8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.044 7.484 -8.434 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.866 8.649 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.671 12.074 -7.092 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.073 11.008 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.806 11.032 -7.983 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.528 6.663 -6.340 1.00 0.00 N ATOM 1463 CA GLY A 91 -0.151 6.395 -5.970 1.00 0.00 C ATOM 1464 C GLY A 91 0.015 5.074 -5.243 1.00 0.00 C ATOM 1465 O GLY A 91 0.934 4.309 -5.534 1.00 0.00 O ATOM 0 H GLY A 91 -1.802 6.308 -7.256 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.468 6.391 -6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.214 7.202 -5.335 1.00 0.00 H new ATOM 1469 N LEU A 92 -0.876 4.805 -4.292 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.821 3.569 -3.519 1.00 0.00 C ATOM 1471 C LEU A 92 -0.856 2.348 -4.434 1.00 0.00 C ATOM 1472 O LEU A 92 -0.043 1.433 -4.294 1.00 0.00 O ATOM 1473 CB LEU A 92 -1.983 3.512 -2.527 1.00 0.00 C ATOM 1474 CG LEU A 92 -2.089 4.713 -1.585 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.516 4.874 -1.084 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -1.127 4.559 -0.416 1.00 0.00 C ATOM 0 H LEU A 92 -1.644 5.427 -4.039 1.00 0.00 H new ATOM 0 HA LEU A 92 0.120 3.558 -2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.914 3.425 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.885 2.607 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.817 5.611 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.572 5.733 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.184 5.029 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.816 3.975 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.215 5.422 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.370 3.652 0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.106 4.493 -0.791 1.00 0.00 H new ATOM 1488 N GLU A 93 -1.803 2.337 -5.369 1.00 0.00 N ATOM 1489 CA GLU A 93 -1.941 1.224 -6.304 1.00 0.00 C ATOM 1490 C GLU A 93 -0.639 0.979 -7.061 1.00 0.00 C ATOM 1491 O GLU A 93 -0.193 -0.161 -7.195 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.073 1.498 -7.296 1.00 0.00 C ATOM 1493 CG GLU A 93 -4.326 2.070 -6.653 1.00 0.00 C ATOM 1494 CD GLU A 93 -4.528 3.538 -6.974 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -5.033 3.840 -8.077 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -4.182 4.386 -6.125 1.00 0.00 O ATOM 0 H GLU A 93 -2.485 3.085 -5.499 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.179 0.330 -5.727 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.717 2.192 -8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.329 0.570 -7.807 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -5.194 1.505 -6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.265 1.943 -5.572 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.036 2.054 -7.558 1.00 0.00 N ATOM 1504 CA ARG A 94 1.213 1.955 -8.305 1.00 0.00 C ATOM 1505 C ARG A 94 2.296 1.273 -7.474 1.00 0.00 C ATOM 1506 O ARG A 94 3.086 0.483 -7.993 1.00 0.00 O ATOM 1507 CB ARG A 94 1.686 3.346 -8.734 1.00 0.00 C ATOM 1508 CG ARG A 94 0.867 3.942 -9.870 1.00 0.00 C ATOM 1509 CD ARG A 94 0.052 5.138 -9.404 1.00 0.00 C ATOM 1510 NE ARG A 94 0.888 6.316 -9.181 1.00 0.00 N ATOM 1511 CZ ARG A 94 0.409 7.554 -9.068 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -0.896 7.779 -9.159 1.00 0.00 N ATOM 1513 NH2 ARG A 94 1.238 8.567 -8.865 1.00 0.00 N ATOM 0 H ARG A 94 -0.392 3.004 -7.457 1.00 0.00 H new ATOM 0 HA ARG A 94 1.027 1.350 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.644 4.016 -7.876 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.730 3.287 -9.041 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.532 4.247 -10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.200 3.182 -10.276 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.710 5.370 -10.148 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -0.470 4.884 -8.482 1.00 0.00 H new ATOM 0 HE ARG A 94 1.897 6.182 -9.108 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.538 7.002 -9.316 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.257 8.729 -9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 94 2.242 8.399 -8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 94 0.873 9.515 -8.778 1.00 0.00 H new ATOM 1527 N PHE A 95 2.327 1.583 -6.183 1.00 0.00 N ATOM 1528 CA PHE A 95 3.313 1.000 -5.280 1.00 0.00 C ATOM 1529 C PHE A 95 3.153 -0.515 -5.204 1.00 0.00 C ATOM 1530 O PHE A 95 4.139 -1.251 -5.155 1.00 0.00 O ATOM 1531 CB PHE A 95 3.177 1.610 -3.883 1.00 0.00 C ATOM 1532 CG PHE A 95 4.197 1.103 -2.902 1.00 0.00 C ATOM 1533 CD1 PHE A 95 4.111 -0.184 -2.396 1.00 0.00 C ATOM 1534 CD2 PHE A 95 5.241 1.914 -2.487 1.00 0.00 C ATOM 1535 CE1 PHE A 95 5.047 -0.652 -1.494 1.00 0.00 C ATOM 1536 CE2 PHE A 95 6.179 1.452 -1.585 1.00 0.00 C ATOM 1537 CZ PHE A 95 6.083 0.167 -1.087 1.00 0.00 C ATOM 0 H PHE A 95 1.681 2.235 -5.738 1.00 0.00 H new ATOM 0 HA PHE A 95 4.305 1.222 -5.672 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.266 2.694 -3.959 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.179 1.398 -3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.303 -0.828 -2.710 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.322 2.919 -2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.969 -1.657 -1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.987 2.095 -1.269 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.816 -0.197 -0.382 1.00 0.00 H new ATOM 1547 N LEU A 96 1.906 -0.974 -5.193 1.00 0.00 N ATOM 1548 CA LEU A 96 1.617 -2.402 -5.119 1.00 0.00 C ATOM 1549 C LEU A 96 1.678 -3.045 -6.502 1.00 0.00 C ATOM 1550 O LEU A 96 1.988 -4.228 -6.633 1.00 0.00 O ATOM 1551 CB LEU A 96 0.239 -2.633 -4.498 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.055 -1.801 -3.248 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.540 -1.841 -2.920 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.768 -2.301 -2.071 1.00 0.00 C ATOM 0 H LEU A 96 1.079 -0.378 -5.234 1.00 0.00 H new ATOM 0 HA LEU A 96 2.375 -2.867 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.522 -2.416 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.144 -3.689 -4.244 1.00 0.00 H new ATOM 0 HG LEU A 96 0.224 -0.766 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.732 -1.244 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.109 -1.436 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.845 -2.872 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.547 -1.698 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.519 -3.343 -1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.829 -2.221 -2.308 1.00 0.00 H new ATOM 1566 N ASN A 97 1.374 -2.260 -7.531 1.00 0.00 N ATOM 1567 CA ASN A 97 1.390 -2.755 -8.904 1.00 0.00 C ATOM 1568 C ASN A 97 2.734 -3.394 -9.245 1.00 0.00 C ATOM 1569 O ASN A 97 2.802 -4.577 -9.578 1.00 0.00 O ATOM 1570 CB ASN A 97 1.090 -1.615 -9.881 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.335 -1.656 -10.397 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -0.589 -2.086 -11.522 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.274 -1.204 -9.574 1.00 0.00 N ATOM 0 H ASN A 97 1.113 -1.278 -7.440 1.00 0.00 H new ATOM 0 HA ASN A 97 0.617 -3.518 -8.995 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.267 -0.660 -9.386 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.780 -1.671 -10.723 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.251 -1.204 -9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.018 -0.857 -8.650 1.00 0.00 H new ATOM 1580 N GLU A 98 3.799 -2.604 -9.164 1.00 0.00 N ATOM 1581 CA GLU A 98 5.139 -3.095 -9.467 1.00 0.00 C ATOM 1582 C GLU A 98 5.636 -4.066 -8.396 1.00 0.00 C ATOM 1583 O GLU A 98 6.629 -4.765 -8.597 1.00 0.00 O ATOM 1584 CB GLU A 98 6.113 -1.922 -9.598 1.00 0.00 C ATOM 1585 CG GLU A 98 7.534 -2.344 -9.935 1.00 0.00 C ATOM 1586 CD GLU A 98 8.163 -1.475 -11.006 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.750 -0.304 -11.139 1.00 0.00 O ATOM 1588 OE2 GLU A 98 9.069 -1.965 -11.712 1.00 0.00 O ATOM 0 H GLU A 98 3.761 -1.622 -8.891 1.00 0.00 H new ATOM 0 HA GLU A 98 5.089 -3.633 -10.414 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.751 -1.245 -10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.122 -1.362 -8.663 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.145 -2.302 -9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.531 -3.381 -10.270 1.00 0.00 H new ATOM 1595 N LEU A 99 4.945 -4.105 -7.259 1.00 0.00 N ATOM 1596 CA LEU A 99 5.329 -4.991 -6.166 1.00 0.00 C ATOM 1597 C LEU A 99 4.734 -6.385 -6.346 1.00 0.00 C ATOM 1598 O LEU A 99 5.462 -7.373 -6.441 1.00 0.00 O ATOM 1599 CB LEU A 99 4.882 -4.408 -4.828 1.00 0.00 C ATOM 1600 CG LEU A 99 5.588 -4.998 -3.606 1.00 0.00 C ATOM 1601 CD1 LEU A 99 5.943 -3.906 -2.613 1.00 0.00 C ATOM 1602 CD2 LEU A 99 4.719 -6.059 -2.951 1.00 0.00 C ATOM 0 H LEU A 99 4.120 -3.535 -7.072 1.00 0.00 H new ATOM 0 HA LEU A 99 6.415 -5.078 -6.177 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.049 -3.331 -4.842 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.808 -4.563 -4.720 1.00 0.00 H new ATOM 0 HG LEU A 99 6.513 -5.469 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.444 -4.347 -1.751 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.606 -3.184 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.033 -3.402 -2.285 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.236 -6.468 -2.083 1.00 0.00 H new ATOM 0 HD22 LEU A 99 3.776 -5.613 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 99 4.520 -6.858 -3.665 1.00 0.00 H new ATOM 1614 N TYR A 100 3.408 -6.458 -6.381 1.00 0.00 N ATOM 1615 CA TYR A 100 2.717 -7.733 -6.539 1.00 0.00 C ATOM 1616 C TYR A 100 2.920 -8.307 -7.939 1.00 0.00 C ATOM 1617 O TYR A 100 2.876 -9.522 -8.131 1.00 0.00 O ATOM 1618 CB TYR A 100 1.222 -7.566 -6.252 1.00 0.00 C ATOM 1619 CG TYR A 100 0.916 -7.058 -4.857 1.00 0.00 C ATOM 1620 CD1 TYR A 100 1.796 -7.281 -3.803 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -0.254 -6.357 -4.596 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.516 -6.818 -2.531 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -0.540 -5.892 -3.325 1.00 0.00 C ATOM 1624 CZ TYR A 100 0.349 -6.126 -2.298 1.00 0.00 C ATOM 1625 OH TYR A 100 0.067 -5.664 -1.032 1.00 0.00 O ATOM 0 H TYR A 100 2.790 -5.650 -6.302 1.00 0.00 H new ATOM 0 HA TYR A 100 3.144 -8.434 -5.822 1.00 0.00 H new ATOM 0 HB2 TYR A 100 0.797 -6.875 -6.981 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.725 -8.526 -6.395 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.712 -7.824 -3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.952 -6.172 -5.399 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.210 -6.998 -1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.455 -5.349 -3.138 1.00 0.00 H new ATOM 0 HH TYR A 100 -0.794 -5.196 -1.039 1.00 0.00 H new ATOM 1635 N ASN A 101 3.143 -7.432 -8.914 1.00 0.00 N ATOM 1636 CA ASN A 101 3.351 -7.864 -10.291 1.00 0.00 C ATOM 1637 C ASN A 101 4.841 -7.987 -10.605 1.00 0.00 C ATOM 1638 O ASN A 101 5.348 -7.351 -11.531 1.00 0.00 O ATOM 1639 CB ASN A 101 2.685 -6.887 -11.264 1.00 0.00 C ATOM 1640 CG ASN A 101 1.945 -7.598 -12.379 1.00 0.00 C ATOM 1641 OD1 ASN A 101 0.814 -8.050 -12.201 1.00 0.00 O ATOM 1642 ND2 ASN A 101 2.581 -7.702 -13.541 1.00 0.00 N ATOM 0 H ASN A 101 3.184 -6.422 -8.777 1.00 0.00 H new ATOM 0 HA ASN A 101 2.893 -8.846 -10.410 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.989 -6.251 -10.717 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.443 -6.233 -11.694 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.132 -8.171 -14.328 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.518 -7.313 -13.646 1.00 0.00 H new ATOM 1649 N ASP A 102 5.537 -8.810 -9.828 1.00 0.00 N ATOM 1650 CA ASP A 102 6.967 -9.020 -10.022 1.00 0.00 C ATOM 1651 C ASP A 102 7.268 -10.488 -10.304 1.00 0.00 C ATOM 1652 O ASP A 102 6.903 -11.367 -9.524 1.00 0.00 O ATOM 1653 CB ASP A 102 7.744 -8.552 -8.789 1.00 0.00 C ATOM 1654 CG ASP A 102 8.825 -7.546 -9.133 1.00 0.00 C ATOM 1655 OD1 ASP A 102 8.521 -6.336 -9.168 1.00 0.00 O ATOM 1656 OD2 ASP A 102 9.977 -7.969 -9.367 1.00 0.00 O ATOM 0 H ASP A 102 5.134 -9.343 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 102 7.282 -8.433 -10.885 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.052 -8.107 -8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.197 -9.414 -8.300 1.00 0.00 H new ATOM 1661 N ARG A 103 7.933 -10.746 -11.425 1.00 0.00 N ATOM 1662 CA ARG A 103 8.281 -12.108 -11.811 1.00 0.00 C ATOM 1663 C ARG A 103 9.776 -12.360 -11.634 1.00 0.00 C ATOM 1664 O ARG A 103 10.197 -13.478 -11.342 1.00 0.00 O ATOM 1665 CB ARG A 103 7.877 -12.369 -13.263 1.00 0.00 C ATOM 1666 CG ARG A 103 8.363 -11.303 -14.230 1.00 0.00 C ATOM 1667 CD ARG A 103 7.350 -10.180 -14.379 1.00 0.00 C ATOM 1668 NE ARG A 103 6.492 -10.367 -15.546 1.00 0.00 N ATOM 1669 CZ ARG A 103 6.933 -10.342 -16.802 1.00 0.00 C ATOM 1670 NH1 ARG A 103 8.220 -10.137 -17.057 1.00 0.00 N ATOM 1671 NH2 ARG A 103 6.085 -10.522 -17.806 1.00 0.00 N ATOM 0 H ARG A 103 8.242 -10.030 -12.082 1.00 0.00 H new ATOM 0 HA ARG A 103 7.736 -12.792 -11.161 1.00 0.00 H new ATOM 0 HB2 ARG A 103 8.272 -13.336 -13.573 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.791 -12.434 -13.323 1.00 0.00 H new ATOM 0 HG2 ARG A 103 9.310 -10.895 -13.877 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.553 -11.754 -15.204 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.734 -10.126 -13.481 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.874 -9.228 -14.463 1.00 0.00 H new ATOM 0 HE ARG A 103 5.497 -10.526 -15.390 1.00 0.00 H new ATOM 0 HH11 ARG A 103 8.876 -9.998 -16.289 1.00 0.00 H new ATOM 0 HH12 ARG A 103 8.552 -10.119 -18.021 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.095 -10.679 -17.616 1.00 0.00 H new ATOM 0 HH22 ARG A 103 6.423 -10.503 -18.768 1.00 0.00 H new ATOM 1685 N PHE A 104 10.572 -11.312 -11.814 1.00 0.00 N ATOM 1686 CA PHE A 104 12.020 -11.418 -11.675 1.00 0.00 C ATOM 1687 C PHE A 104 12.419 -11.521 -10.208 1.00 0.00 C ATOM 1688 O PHE A 104 13.237 -12.361 -9.834 1.00 0.00 O ATOM 1689 CB PHE A 104 12.704 -10.210 -12.319 1.00 0.00 C ATOM 1690 CG PHE A 104 13.065 -10.421 -13.763 1.00 0.00 C ATOM 1691 CD1 PHE A 104 12.167 -11.013 -14.636 1.00 0.00 C ATOM 1692 CD2 PHE A 104 14.302 -10.027 -14.245 1.00 0.00 C ATOM 1693 CE1 PHE A 104 12.496 -11.208 -15.964 1.00 0.00 C ATOM 1694 CE2 PHE A 104 14.637 -10.220 -15.572 1.00 0.00 C ATOM 1695 CZ PHE A 104 13.732 -10.811 -16.432 1.00 0.00 C ATOM 0 H PHE A 104 10.239 -10.379 -12.057 1.00 0.00 H new ATOM 0 HA PHE A 104 12.344 -12.325 -12.185 1.00 0.00 H new ATOM 0 HB2 PHE A 104 12.045 -9.345 -12.241 1.00 0.00 H new ATOM 0 HB3 PHE A 104 13.608 -9.973 -11.758 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.199 -11.326 -14.275 1.00 0.00 H new ATOM 0 HD2 PHE A 104 15.013 -9.564 -13.577 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.787 -11.670 -16.635 1.00 0.00 H new ATOM 0 HE2 PHE A 104 15.605 -9.909 -15.936 1.00 0.00 H new ATOM 0 HZ PHE A 104 13.991 -10.962 -17.469 1.00 0.00 H new ATOM 1705 N ASP A 105 11.838 -10.659 -9.380 1.00 0.00 N ATOM 1706 CA ASP A 105 12.135 -10.651 -7.953 1.00 0.00 C ATOM 1707 C ASP A 105 10.896 -10.290 -7.140 1.00 0.00 C ATOM 1708 O ASP A 105 10.395 -9.168 -7.219 1.00 0.00 O ATOM 1709 CB ASP A 105 13.263 -9.661 -7.652 1.00 0.00 C ATOM 1710 CG ASP A 105 14.601 -10.350 -7.466 1.00 0.00 C ATOM 1711 OD1 ASP A 105 14.621 -11.471 -6.915 1.00 0.00 O ATOM 1712 OD2 ASP A 105 15.629 -9.768 -7.871 1.00 0.00 O ATOM 0 H ASP A 105 11.159 -9.957 -9.673 1.00 0.00 H new ATOM 0 HA ASP A 105 12.454 -11.654 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.338 -8.941 -8.467 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.018 -9.098 -6.751 1.00 0.00 H new ATOM 1717 N SER A 106 10.408 -11.247 -6.360 1.00 0.00 N ATOM 1718 CA SER A 106 9.228 -11.028 -5.531 1.00 0.00 C ATOM 1719 C SER A 106 9.607 -10.919 -4.057 1.00 0.00 C ATOM 1720 O SER A 106 8.777 -11.141 -3.177 1.00 0.00 O ATOM 1721 CB SER A 106 8.220 -12.160 -5.724 1.00 0.00 C ATOM 1722 OG SER A 106 8.872 -13.417 -5.797 1.00 0.00 O ATOM 0 H SER A 106 10.810 -12.181 -6.284 1.00 0.00 H new ATOM 0 HA SER A 106 8.772 -10.088 -5.842 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.509 -12.163 -4.898 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.648 -11.990 -6.636 1.00 0.00 H new ATOM 0 HG SER A 106 8.931 -13.808 -4.900 1.00 0.00 H new ATOM 1728 N ARG A 107 10.862 -10.570 -3.792 1.00 0.00 N ATOM 1729 CA ARG A 107 11.336 -10.428 -2.420 1.00 0.00 C ATOM 1730 C ARG A 107 10.545 -9.346 -1.693 1.00 0.00 C ATOM 1731 O ARG A 107 10.386 -9.390 -0.473 1.00 0.00 O ATOM 1732 CB ARG A 107 12.826 -10.086 -2.402 1.00 0.00 C ATOM 1733 CG ARG A 107 13.651 -10.908 -3.380 1.00 0.00 C ATOM 1734 CD ARG A 107 14.481 -10.020 -4.290 1.00 0.00 C ATOM 1735 NE ARG A 107 15.222 -9.013 -3.535 1.00 0.00 N ATOM 1736 CZ ARG A 107 16.461 -9.188 -3.076 1.00 0.00 C ATOM 1737 NH1 ARG A 107 17.100 -10.334 -3.277 1.00 0.00 N ATOM 1738 NH2 ARG A 107 17.061 -8.213 -2.407 1.00 0.00 N ATOM 0 H ARG A 107 11.566 -10.381 -4.505 1.00 0.00 H new ATOM 0 HA ARG A 107 11.187 -11.378 -1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 107 12.950 -9.028 -2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.213 -10.239 -1.395 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.308 -11.581 -2.828 1.00 0.00 H new ATOM 0 HG3 ARG A 107 12.990 -11.531 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.179 -10.634 -4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.829 -9.527 -5.011 1.00 0.00 H new ATOM 0 HE ARG A 107 14.763 -8.121 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 107 16.643 -11.090 -3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.048 -10.458 -2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.574 -7.331 -2.245 1.00 0.00 H new ATOM 0 HH22 ARG A 107 18.009 -8.345 -2.055 1.00 0.00 H new ATOM 1752 N TRP A 108 10.053 -8.376 -2.456 1.00 0.00 N ATOM 1753 CA TRP A 108 9.277 -7.276 -1.897 1.00 0.00 C ATOM 1754 C TRP A 108 7.898 -7.750 -1.444 1.00 0.00 C ATOM 1755 O TRP A 108 7.387 -7.302 -0.417 1.00 0.00 O ATOM 1756 CB TRP A 108 9.131 -6.156 -2.928 1.00 0.00 C ATOM 1757 CG TRP A 108 10.443 -5.582 -3.369 1.00 0.00 C ATOM 1758 CD1 TRP A 108 10.983 -5.636 -4.621 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.380 -4.868 -2.557 1.00 0.00 C ATOM 1760 NE1 TRP A 108 12.201 -4.998 -4.637 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.466 -4.517 -3.381 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.405 -4.489 -1.213 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.565 -3.807 -2.903 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.495 -3.784 -0.738 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.562 -3.449 -1.582 1.00 0.00 C ATOM 0 H TRP A 108 10.179 -8.330 -3.467 1.00 0.00 H new ATOM 0 HA TRP A 108 9.811 -6.895 -1.026 1.00 0.00 H new ATOM 0 HB2 TRP A 108 8.599 -6.540 -3.799 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.518 -5.360 -2.505 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.521 -6.110 -5.474 1.00 0.00 H new ATOM 0 HE1 TRP A 108 12.808 -4.899 -5.451 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.586 -4.743 -0.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.389 -3.548 -3.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.525 -3.487 0.300 1.00 0.00 H new ATOM 0 HH2 TRP A 108 14.399 -2.897 -1.182 1.00 0.00 H new ATOM 1776 N ARG A 109 7.300 -8.654 -2.213 1.00 0.00 N ATOM 1777 CA ARG A 109 5.978 -9.179 -1.882 1.00 0.00 C ATOM 1778 C ARG A 109 6.086 -10.426 -1.009 1.00 0.00 C ATOM 1779 O ARG A 109 5.175 -10.738 -0.242 1.00 0.00 O ATOM 1780 CB ARG A 109 5.196 -9.498 -3.159 1.00 0.00 C ATOM 1781 CG ARG A 109 5.824 -10.592 -4.005 1.00 0.00 C ATOM 1782 CD ARG A 109 5.269 -10.590 -5.420 1.00 0.00 C ATOM 1783 NE ARG A 109 4.172 -11.541 -5.581 1.00 0.00 N ATOM 1784 CZ ARG A 109 3.768 -12.016 -6.757 1.00 0.00 C ATOM 1785 NH1 ARG A 109 4.367 -11.630 -7.877 1.00 0.00 N ATOM 1786 NH2 ARG A 109 2.763 -12.879 -6.813 1.00 0.00 N ATOM 0 H ARG A 109 7.707 -9.038 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 109 5.443 -8.413 -1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.183 -9.797 -2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.112 -8.591 -3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.905 -10.454 -4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.640 -11.562 -3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 109 4.920 -9.588 -5.671 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.066 -10.834 -6.122 1.00 0.00 H new ATOM 0 HE ARG A 109 3.687 -11.860 -4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.141 -10.966 -7.839 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.054 -11.997 -8.776 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.300 -13.179 -5.955 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.453 -13.243 -7.714 1.00 0.00 H new ATOM 1800 N ASP A 110 7.205 -11.135 -1.124 1.00 0.00 N ATOM 1801 CA ASP A 110 7.426 -12.346 -0.340 1.00 0.00 C ATOM 1802 C ASP A 110 7.554 -12.014 1.144 1.00 0.00 C ATOM 1803 O ASP A 110 7.195 -12.817 2.004 1.00 0.00 O ATOM 1804 CB ASP A 110 8.684 -13.071 -0.825 1.00 0.00 C ATOM 1805 CG ASP A 110 8.361 -14.268 -1.697 1.00 0.00 C ATOM 1806 OD1 ASP A 110 7.608 -15.151 -1.238 1.00 0.00 O ATOM 1807 OD2 ASP A 110 8.864 -14.322 -2.839 1.00 0.00 O ATOM 0 H ASP A 110 7.972 -10.892 -1.751 1.00 0.00 H new ATOM 0 HA ASP A 110 6.565 -13.001 -0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.308 -12.375 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.266 -13.399 0.036 1.00 0.00 H new ATOM 1812 N THR A 111 8.069 -10.823 1.436 1.00 0.00 N ATOM 1813 CA THR A 111 8.250 -10.376 2.813 1.00 0.00 C ATOM 1814 C THR A 111 6.975 -10.570 3.632 1.00 0.00 C ATOM 1815 O THR A 111 5.870 -10.340 3.142 1.00 0.00 O ATOM 1816 CB THR A 111 8.664 -8.903 2.834 1.00 0.00 C ATOM 1817 OG1 THR A 111 8.936 -8.436 1.524 1.00 0.00 O ATOM 1818 CG2 THR A 111 9.890 -8.644 3.676 1.00 0.00 C ATOM 0 H THR A 111 8.370 -10.147 0.733 1.00 0.00 H new ATOM 0 HA THR A 111 9.037 -10.981 3.263 1.00 0.00 H new ATOM 0 HB THR A 111 7.819 -8.371 3.272 1.00 0.00 H new ATOM 0 HG1 THR A 111 9.680 -8.947 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.132 -7.581 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.695 -8.946 4.705 1.00 0.00 H new ATOM 0 HG23 THR A 111 10.730 -9.217 3.282 1.00 0.00 H new ATOM 1826 N LYS A 112 7.141 -10.990 4.882 1.00 0.00 N ATOM 1827 CA LYS A 112 6.006 -11.209 5.771 1.00 0.00 C ATOM 1828 C LYS A 112 5.228 -9.914 5.978 1.00 0.00 C ATOM 1829 O LYS A 112 4.008 -9.930 6.140 1.00 0.00 O ATOM 1830 CB LYS A 112 6.484 -11.751 7.119 1.00 0.00 C ATOM 1831 CG LYS A 112 5.406 -12.494 7.892 1.00 0.00 C ATOM 1832 CD LYS A 112 5.565 -12.304 9.393 1.00 0.00 C ATOM 1833 CE LYS A 112 4.599 -11.257 9.927 1.00 0.00 C ATOM 1834 NZ LYS A 112 3.393 -11.876 10.542 1.00 0.00 N ATOM 0 H LYS A 112 8.050 -11.185 5.302 1.00 0.00 H new ATOM 0 HA LYS A 112 5.346 -11.942 5.308 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.328 -12.421 6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.849 -10.922 7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 112 4.424 -12.139 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.451 -13.556 7.652 1.00 0.00 H new ATOM 0 HD2 LYS A 112 5.393 -13.253 9.901 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.589 -12.004 9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 112 5.107 -10.639 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.294 -10.597 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.546 -11.342 10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.306 -12.861 10.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 3.483 -11.858 11.578 1.00 0.00 H new ATOM 1848 N ILE A 113 5.944 -8.796 5.967 1.00 0.00 N ATOM 1849 CA ILE A 113 5.324 -7.490 6.148 1.00 0.00 C ATOM 1850 C ILE A 113 4.377 -7.172 4.997 1.00 0.00 C ATOM 1851 O ILE A 113 3.316 -6.580 5.197 1.00 0.00 O ATOM 1852 CB ILE A 113 6.385 -6.374 6.250 1.00 0.00 C ATOM 1853 CG1 ILE A 113 7.221 -6.315 4.971 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.281 -6.601 7.458 1.00 0.00 C ATOM 1855 CD1 ILE A 113 8.285 -5.241 4.992 1.00 0.00 C ATOM 0 H ILE A 113 6.955 -8.768 5.835 1.00 0.00 H new ATOM 0 HA ILE A 113 4.761 -7.531 7.080 1.00 0.00 H new ATOM 0 HB ILE A 113 5.872 -5.420 6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.697 -7.283 4.813 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.559 -6.143 4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.024 -5.805 7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.676 -6.599 8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.786 -7.562 7.361 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.838 -5.258 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.815 -4.266 5.118 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.970 -5.424 5.820 1.00 0.00 H new ATOM 1867 N ALA A 114 4.768 -7.572 3.791 1.00 0.00 N ATOM 1868 CA ALA A 114 3.955 -7.334 2.605 1.00 0.00 C ATOM 1869 C ALA A 114 2.697 -8.196 2.625 1.00 0.00 C ATOM 1870 O ALA A 114 1.624 -7.755 2.215 1.00 0.00 O ATOM 1871 CB ALA A 114 4.767 -7.607 1.348 1.00 0.00 C ATOM 0 H ALA A 114 5.644 -8.063 3.610 1.00 0.00 H new ATOM 0 HA ALA A 114 3.648 -6.288 2.604 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.149 -7.426 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.634 -6.947 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.101 -8.645 1.349 1.00 0.00 H new ATOM 1877 N GLN A 115 2.839 -9.427 3.105 1.00 0.00 N ATOM 1878 CA GLN A 115 1.715 -10.353 3.181 1.00 0.00 C ATOM 1879 C GLN A 115 0.711 -9.901 4.237 1.00 0.00 C ATOM 1880 O GLN A 115 -0.496 -10.072 4.074 1.00 0.00 O ATOM 1881 CB GLN A 115 2.210 -11.764 3.502 1.00 0.00 C ATOM 1882 CG GLN A 115 3.337 -12.234 2.598 1.00 0.00 C ATOM 1883 CD GLN A 115 2.833 -12.973 1.375 1.00 0.00 C ATOM 1884 OE1 GLN A 115 1.849 -13.709 1.442 1.00 0.00 O ATOM 1885 NE2 GLN A 115 3.507 -12.780 0.247 1.00 0.00 N ATOM 0 H GLN A 115 3.722 -9.807 3.447 1.00 0.00 H new ATOM 0 HA GLN A 115 1.217 -10.363 2.211 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.550 -11.794 4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.375 -12.460 3.420 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.926 -11.374 2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 115 4.003 -12.886 3.163 1.00 0.00 H new ATOM 0 HE21 GLN A 115 4.318 -12.161 0.237 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.214 -13.251 -0.609 1.00 0.00 H new ATOM 1894 N ASP A 116 1.221 -9.323 5.320 1.00 0.00 N ATOM 1895 CA ASP A 116 0.370 -8.846 6.404 1.00 0.00 C ATOM 1896 C ASP A 116 -0.197 -7.461 6.092 1.00 0.00 C ATOM 1897 O ASP A 116 -1.132 -7.002 6.749 1.00 0.00 O ATOM 1898 CB ASP A 116 1.157 -8.802 7.714 1.00 0.00 C ATOM 1899 CG ASP A 116 0.333 -9.265 8.899 1.00 0.00 C ATOM 1900 OD1 ASP A 116 -0.584 -8.523 9.310 1.00 0.00 O ATOM 1901 OD2 ASP A 116 0.606 -10.368 9.418 1.00 0.00 O ATOM 0 H ASP A 116 2.219 -9.174 5.470 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.463 -9.542 6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.043 -9.430 7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.504 -7.784 7.892 1.00 0.00 H new ATOM 1906 N PHE A 117 0.376 -6.797 5.090 1.00 0.00 N ATOM 1907 CA PHE A 117 -0.071 -5.466 4.698 1.00 0.00 C ATOM 1908 C PHE A 117 -1.568 -5.445 4.405 1.00 0.00 C ATOM 1909 O PHE A 117 -2.290 -4.568 4.880 1.00 0.00 O ATOM 1910 CB PHE A 117 0.704 -4.996 3.465 1.00 0.00 C ATOM 1911 CG PHE A 117 0.624 -3.515 3.239 1.00 0.00 C ATOM 1912 CD1 PHE A 117 1.080 -2.630 4.201 1.00 0.00 C ATOM 1913 CD2 PHE A 117 0.092 -3.009 2.065 1.00 0.00 C ATOM 1914 CE1 PHE A 117 1.008 -1.266 3.998 1.00 0.00 C ATOM 1915 CE2 PHE A 117 0.016 -1.645 1.854 1.00 0.00 C ATOM 1916 CZ PHE A 117 0.475 -0.772 2.823 1.00 0.00 C ATOM 0 H PHE A 117 1.151 -7.161 4.536 1.00 0.00 H new ATOM 0 HA PHE A 117 0.121 -4.789 5.531 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.750 -5.284 3.571 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.319 -5.512 2.585 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.497 -3.011 5.121 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.268 -3.688 1.306 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.368 -0.587 4.756 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -0.401 -1.262 0.934 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.417 0.294 2.662 1.00 0.00 H new ATOM 1926 N LEU A 118 -2.029 -6.412 3.619 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.441 -6.497 3.265 1.00 0.00 C ATOM 1928 C LEU A 118 -4.113 -7.688 3.945 1.00 0.00 C ATOM 1929 O LEU A 118 -5.133 -8.187 3.472 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.602 -6.609 1.746 1.00 0.00 C ATOM 1931 CG LEU A 118 -3.098 -5.406 0.941 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.665 -5.437 -0.470 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -3.465 -4.099 1.632 1.00 0.00 C ATOM 0 H LEU A 118 -1.447 -7.146 3.216 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.926 -5.585 3.613 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.073 -7.499 1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.658 -6.760 1.520 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.011 -5.467 0.882 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.298 -4.576 -1.029 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.351 -6.354 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.754 -5.403 -0.426 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -3.097 -3.260 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.549 -4.029 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.012 -4.072 2.623 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.536 -8.141 5.054 1.00 0.00 N ATOM 1946 CA GLN A 119 -4.086 -9.273 5.789 1.00 0.00 C ATOM 1947 C GLN A 119 -4.146 -10.511 4.902 1.00 0.00 C ATOM 1948 O GLN A 119 -5.168 -11.197 4.839 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.482 -8.936 6.317 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.490 -7.814 7.342 1.00 0.00 C ATOM 1951 CD GLN A 119 -6.891 -7.431 7.776 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -7.359 -7.846 8.837 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -7.568 -6.636 6.956 1.00 0.00 N ATOM 0 H GLN A 119 -2.690 -7.742 5.462 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.431 -9.484 6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -6.120 -8.656 5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.917 -9.829 6.765 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.914 -8.121 8.215 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -4.992 -6.940 6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -7.140 -6.316 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.516 -6.345 7.195 1.00 0.00 H new ATOM 1962 N LEU A 120 -3.042 -10.792 4.216 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.965 -11.946 3.328 1.00 0.00 C ATOM 1964 C LEU A 120 -2.421 -13.166 4.064 1.00 0.00 C ATOM 1965 O LEU A 120 -1.649 -13.948 3.507 1.00 0.00 O ATOM 1966 CB LEU A 120 -2.081 -11.627 2.119 1.00 0.00 C ATOM 1967 CG LEU A 120 -2.189 -10.193 1.595 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.940 -9.814 0.813 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -3.431 -10.035 0.732 1.00 0.00 C ATOM 0 H LEU A 120 -2.188 -10.236 4.259 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.973 -12.175 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.043 -11.822 2.386 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.336 -12.313 1.311 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.275 -9.519 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.035 -8.791 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -0.068 -9.888 1.462 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.821 -10.491 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.493 -9.010 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.375 -10.719 -0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.317 -10.263 1.324 1.00 0.00 H new