USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 SER OG : rot 64:sc= 0.0252 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -9.35! C(o=-9.3!,f=-15!) USER MOD Set 2.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 161:sc= -10.7! USER MOD Single : A 13 SER OG : rot 150:sc= -1.04 USER MOD Single : A 14 HIS : no HD1:sc= -2.6! K(o=-2.6!,f=-4) USER MOD Single : A 18 LYS NZ :NH3+ -176:sc= 0.001 (180deg=-0.0104) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0133) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN :FLIP amide:sc= -0.105 F(o=-1.2,f=-0.1) USER MOD Single : A 31 LYS NZ :NH3+ -131:sc= -0.902 (180deg=-3.22!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc=-0.00492 (180deg=-0.00492) USER MOD Single : A 44 SER OG : rot -165:sc= -7.19! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 116:sc= 0.898 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -108:sc= -7.69! (180deg=-15.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -161:sc= -0.93 USER MOD Single : A 85 LYS NZ :NH3+ 151:sc= -1.54! (180deg=-3.04!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 174:sc= 0.15 (180deg=0.144) USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 7.560 8.733 1.752 1.00 0.00 N ATOM 99 CA LYS A 9 6.404 8.053 1.182 1.00 0.00 C ATOM 100 C LYS A 9 6.147 6.723 1.886 1.00 0.00 C ATOM 101 O LYS A 9 6.908 6.321 2.765 1.00 0.00 O ATOM 102 CB LYS A 9 6.575 7.896 -0.339 1.00 0.00 C ATOM 103 CG LYS A 9 7.296 6.643 -0.767 1.00 0.00 C ATOM 104 CD LYS A 9 8.747 6.675 -0.320 1.00 0.00 C ATOM 105 CE LYS A 9 8.917 6.007 1.030 1.00 0.00 C ATOM 106 NZ LYS A 9 10.246 5.347 1.163 1.00 0.00 N ATOM 0 HA LYS A 9 5.516 8.664 1.346 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.590 7.909 -0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.119 8.760 -0.721 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.800 5.770 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 9 7.247 6.543 -1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.370 6.171 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 9 9.091 7.708 -0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.801 6.750 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.129 5.267 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.321 4.903 2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.348 4.620 0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.998 6.057 1.055 1.00 0.00 H new ATOM 120 N ILE A 10 5.056 6.060 1.522 1.00 0.00 N ATOM 121 CA ILE A 10 4.700 4.796 2.148 1.00 0.00 C ATOM 122 C ILE A 10 4.782 3.666 1.154 1.00 0.00 C ATOM 123 O ILE A 10 4.348 3.786 0.012 1.00 0.00 O ATOM 124 CB ILE A 10 3.283 4.799 2.762 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.886 6.197 3.242 1.00 0.00 C ATOM 126 CG2 ILE A 10 3.212 3.803 3.910 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.663 6.738 2.543 1.00 0.00 C ATOM 0 H ILE A 10 4.407 6.375 0.801 1.00 0.00 H new ATOM 0 HA ILE A 10 5.420 4.655 2.954 1.00 0.00 H new ATOM 0 HB ILE A 10 2.576 4.502 1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 10 2.700 6.167 4.316 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.720 6.880 3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 10 2.209 3.811 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.440 2.804 3.539 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.936 4.079 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.434 7.732 2.928 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.853 6.799 1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.817 6.075 2.724 1.00 0.00 H new ATOM 139 N LYS A 11 5.343 2.571 1.604 1.00 0.00 N ATOM 140 CA LYS A 11 5.503 1.400 0.772 1.00 0.00 C ATOM 141 C LYS A 11 4.524 0.322 1.209 1.00 0.00 C ATOM 142 O LYS A 11 4.780 -0.417 2.158 1.00 0.00 O ATOM 143 CB LYS A 11 6.947 0.923 0.859 1.00 0.00 C ATOM 144 CG LYS A 11 7.955 2.075 0.892 1.00 0.00 C ATOM 145 CD LYS A 11 8.920 1.938 2.057 1.00 0.00 C ATOM 146 CE LYS A 11 10.147 1.130 1.668 1.00 0.00 C ATOM 147 NZ LYS A 11 11.386 1.957 1.692 1.00 0.00 N ATOM 0 H LYS A 11 5.701 2.464 2.553 1.00 0.00 H new ATOM 0 HA LYS A 11 5.284 1.640 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.070 0.314 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.164 0.281 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.514 2.098 -0.044 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.423 3.023 0.969 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.226 2.928 2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.416 1.456 2.895 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.259 0.288 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.007 0.714 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.201 1.370 1.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.290 2.746 1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.534 2.333 2.650 1.00 0.00 H new ATOM 161 N CYS A 12 3.378 0.273 0.534 1.00 0.00 N ATOM 162 CA CYS A 12 2.328 -0.676 0.873 1.00 0.00 C ATOM 163 C CYS A 12 2.001 -1.603 -0.298 1.00 0.00 C ATOM 164 O CYS A 12 2.585 -1.492 -1.374 1.00 0.00 O ATOM 165 CB CYS A 12 1.075 0.101 1.302 1.00 0.00 C ATOM 166 SG CYS A 12 0.010 -0.744 2.487 1.00 0.00 S ATOM 0 H CYS A 12 3.155 0.883 -0.253 1.00 0.00 H new ATOM 0 HA CYS A 12 2.679 -1.304 1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.388 1.052 1.734 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.489 0.332 0.412 1.00 0.00 H new ATOM 0 HG CYS A 12 -0.762 0.123 3.072 1.00 0.00 H new ATOM 172 N SER A 13 1.058 -2.514 -0.070 1.00 0.00 N ATOM 173 CA SER A 13 0.617 -3.463 -1.087 1.00 0.00 C ATOM 174 C SER A 13 -0.876 -3.275 -1.334 1.00 0.00 C ATOM 175 O SER A 13 -1.562 -2.647 -0.527 1.00 0.00 O ATOM 176 CB SER A 13 0.902 -4.899 -0.640 1.00 0.00 C ATOM 177 OG SER A 13 -0.109 -5.373 0.233 1.00 0.00 O ATOM 0 H SER A 13 0.579 -2.614 0.825 1.00 0.00 H new ATOM 0 HA SER A 13 1.165 -3.279 -2.011 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.967 -5.549 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.869 -4.942 -0.139 1.00 0.00 H new ATOM 0 HG SER A 13 -0.201 -6.343 0.131 1.00 0.00 H new ATOM 183 N HIS A 14 -1.389 -3.798 -2.444 1.00 0.00 N ATOM 184 CA HIS A 14 -2.809 -3.643 -2.749 1.00 0.00 C ATOM 185 C HIS A 14 -3.453 -4.941 -3.216 1.00 0.00 C ATOM 186 O HIS A 14 -2.802 -5.810 -3.797 1.00 0.00 O ATOM 187 CB HIS A 14 -3.012 -2.541 -3.794 1.00 0.00 C ATOM 188 CG HIS A 14 -2.713 -2.966 -5.200 1.00 0.00 C ATOM 189 ND1 HIS A 14 -1.431 -3.148 -5.677 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.540 -3.241 -6.238 1.00 0.00 C ATOM 191 CE1 HIS A 14 -1.484 -3.512 -6.945 1.00 0.00 C ATOM 192 NE2 HIS A 14 -2.750 -3.575 -7.310 1.00 0.00 N ATOM 0 H HIS A 14 -0.855 -4.324 -3.136 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.305 -3.358 -1.821 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.044 -2.193 -3.743 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.376 -1.693 -3.540 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.619 -3.204 -6.224 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.634 -3.723 -7.577 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.087 -3.830 -8.238 1.00 0.00 H new ATOM 201 N ILE A 15 -4.751 -5.048 -2.948 1.00 0.00 N ATOM 202 CA ILE A 15 -5.535 -6.214 -3.323 1.00 0.00 C ATOM 203 C ILE A 15 -7.007 -5.828 -3.448 1.00 0.00 C ATOM 204 O ILE A 15 -7.581 -5.235 -2.534 1.00 0.00 O ATOM 205 CB ILE A 15 -5.366 -7.352 -2.290 1.00 0.00 C ATOM 206 CG1 ILE A 15 -3.989 -7.999 -2.448 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.470 -8.398 -2.426 1.00 0.00 C ATOM 208 CD1 ILE A 15 -2.924 -7.389 -1.563 1.00 0.00 C ATOM 0 H ILE A 15 -5.287 -4.327 -2.464 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.175 -6.577 -4.286 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.445 -6.921 -1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.069 -9.063 -2.224 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.676 -7.915 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.321 -9.183 -1.685 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.440 -7.927 -2.265 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.439 -8.832 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.976 -7.899 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.814 -6.331 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.214 -7.496 -0.518 1.00 0.00 H new ATOM 220 N LEU A 16 -7.607 -6.149 -4.589 1.00 0.00 N ATOM 221 CA LEU A 16 -9.005 -5.814 -4.830 1.00 0.00 C ATOM 222 C LEU A 16 -9.879 -7.056 -4.941 1.00 0.00 C ATOM 223 O LEU A 16 -9.585 -7.969 -5.710 1.00 0.00 O ATOM 224 CB LEU A 16 -9.133 -4.986 -6.111 1.00 0.00 C ATOM 225 CG LEU A 16 -10.379 -4.100 -6.195 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.531 -3.262 -4.936 1.00 0.00 C ATOM 227 CD2 LEU A 16 -10.316 -3.210 -7.427 1.00 0.00 C ATOM 0 H LEU A 16 -7.149 -6.638 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.351 -5.234 -3.974 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.250 -4.353 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.131 -5.664 -6.964 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.253 -4.746 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -11.423 -2.641 -5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -10.625 -3.919 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.655 -2.625 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.209 -2.587 -7.472 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -9.432 -2.574 -7.372 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.261 -3.830 -8.322 1.00 0.00 H new ATOM 239 N VAL A 17 -10.966 -7.068 -4.181 1.00 0.00 N ATOM 240 CA VAL A 17 -11.911 -8.178 -4.200 1.00 0.00 C ATOM 241 C VAL A 17 -13.330 -7.645 -4.046 1.00 0.00 C ATOM 242 O VAL A 17 -13.585 -6.788 -3.207 1.00 0.00 O ATOM 243 CB VAL A 17 -11.628 -9.206 -3.087 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.219 -9.773 -3.213 1.00 0.00 C ATOM 245 CG2 VAL A 17 -11.840 -8.591 -1.707 1.00 0.00 C ATOM 0 H VAL A 17 -11.217 -6.316 -3.539 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.797 -8.687 -5.157 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.336 -10.027 -3.204 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.045 -10.496 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.110 -10.265 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.493 -8.964 -3.134 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.634 -9.338 -0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.166 -7.744 -1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.872 -8.252 -1.614 1.00 0.00 H new ATOM 255 N LYS A 18 -14.252 -8.134 -4.865 1.00 0.00 N ATOM 256 CA LYS A 18 -15.634 -7.666 -4.804 1.00 0.00 C ATOM 257 C LYS A 18 -16.385 -8.294 -3.635 1.00 0.00 C ATOM 258 O LYS A 18 -17.233 -7.651 -3.019 1.00 0.00 O ATOM 259 CB LYS A 18 -16.358 -7.958 -6.120 1.00 0.00 C ATOM 260 CG LYS A 18 -16.600 -6.718 -6.966 1.00 0.00 C ATOM 261 CD LYS A 18 -15.512 -6.535 -8.013 1.00 0.00 C ATOM 262 CE LYS A 18 -15.098 -5.078 -8.139 1.00 0.00 C ATOM 263 NZ LYS A 18 -16.223 -4.219 -8.601 1.00 0.00 N ATOM 0 H LYS A 18 -14.073 -8.847 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.611 -6.588 -4.646 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -15.772 -8.673 -6.697 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.315 -8.432 -5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -17.570 -6.796 -7.458 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -16.638 -5.839 -6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -14.644 -7.139 -7.747 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.869 -6.897 -8.977 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.739 -4.718 -7.175 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.267 -4.996 -8.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.883 -3.246 -8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.594 -4.587 -9.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.979 -4.223 -7.887 1.00 0.00 H new ATOM 277 N LYS A 19 -16.060 -9.540 -3.311 1.00 0.00 N ATOM 278 CA LYS A 19 -16.697 -10.214 -2.200 1.00 0.00 C ATOM 279 C LYS A 19 -16.168 -9.597 -0.905 1.00 0.00 C ATOM 280 O LYS A 19 -15.259 -10.116 -0.265 1.00 0.00 O ATOM 281 CB LYS A 19 -16.441 -11.724 -2.292 1.00 0.00 C ATOM 282 CG LYS A 19 -16.319 -12.423 -0.956 1.00 0.00 C ATOM 283 CD LYS A 19 -16.424 -13.934 -1.101 1.00 0.00 C ATOM 284 CE LYS A 19 -16.384 -14.629 0.249 1.00 0.00 C ATOM 285 NZ LYS A 19 -17.659 -14.456 1.000 1.00 0.00 N ATOM 0 H LYS A 19 -15.361 -10.097 -3.803 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.779 -10.084 -2.222 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.253 -12.184 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.525 -11.890 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.364 -12.167 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.101 -12.066 -0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -17.352 -14.187 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.606 -14.298 -1.723 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.189 -15.692 0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.558 -14.230 0.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.631 -15.027 1.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.782 -13.454 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.456 -14.766 0.408 1.00 0.00 H new ATOM 299 N GLN A 20 -16.716 -8.437 -0.568 1.00 0.00 N ATOM 300 CA GLN A 20 -16.285 -7.679 0.602 1.00 0.00 C ATOM 301 C GLN A 20 -16.135 -8.542 1.845 1.00 0.00 C ATOM 302 O GLN A 20 -15.359 -8.204 2.739 1.00 0.00 O ATOM 303 CB GLN A 20 -17.251 -6.524 0.874 1.00 0.00 C ATOM 304 CG GLN A 20 -16.878 -5.680 2.084 1.00 0.00 C ATOM 305 CD GLN A 20 -17.996 -5.598 3.104 1.00 0.00 C ATOM 306 OE1 GLN A 20 -18.892 -4.763 2.995 1.00 0.00 O ATOM 307 NE2 GLN A 20 -17.949 -6.470 4.105 1.00 0.00 N ATOM 0 H GLN A 20 -17.469 -7.995 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.296 -7.282 0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -17.291 -5.882 -0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -18.253 -6.928 1.020 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -15.990 -6.101 2.556 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -16.617 -4.674 1.754 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -17.187 -7.146 4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -18.675 -6.463 4.822 1.00 0.00 H new ATOM 316 N GLY A 21 -16.849 -9.654 1.913 1.00 0.00 N ATOM 317 CA GLY A 21 -16.714 -10.499 3.076 1.00 0.00 C ATOM 318 C GLY A 21 -15.330 -11.100 3.133 1.00 0.00 C ATOM 319 O GLY A 21 -14.772 -11.307 4.212 1.00 0.00 O ATOM 0 H GLY A 21 -17.504 -9.980 1.202 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.903 -9.918 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.461 -11.292 3.045 1.00 0.00 H new ATOM 323 N GLU A 22 -14.754 -11.330 1.962 1.00 0.00 N ATOM 324 CA GLU A 22 -13.409 -11.866 1.872 1.00 0.00 C ATOM 325 C GLU A 22 -12.402 -10.794 2.252 1.00 0.00 C ATOM 326 O GLU A 22 -11.401 -11.069 2.909 1.00 0.00 O ATOM 327 CB GLU A 22 -13.142 -12.390 0.463 1.00 0.00 C ATOM 328 CG GLU A 22 -12.903 -11.325 -0.591 1.00 0.00 C ATOM 329 CD GLU A 22 -11.648 -11.595 -1.395 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.545 -11.296 -0.893 1.00 0.00 O ATOM 331 OE2 GLU A 22 -11.768 -12.109 -2.528 1.00 0.00 O ATOM 0 H GLU A 22 -15.200 -11.153 1.062 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.307 -12.699 2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.272 -13.046 0.496 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.990 -13.000 0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.761 -11.280 -1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.823 -10.350 -0.110 1.00 0.00 H new ATOM 338 N ALA A 23 -12.691 -9.565 1.845 1.00 0.00 N ATOM 339 CA ALA A 23 -11.829 -8.433 2.152 1.00 0.00 C ATOM 340 C ALA A 23 -11.577 -8.370 3.656 1.00 0.00 C ATOM 341 O ALA A 23 -10.482 -8.033 4.103 1.00 0.00 O ATOM 342 CB ALA A 23 -12.456 -7.134 1.646 1.00 0.00 C ATOM 0 H ALA A 23 -13.519 -9.327 1.299 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.873 -8.563 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.800 -6.297 1.883 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.594 -7.193 0.566 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.423 -6.985 2.127 1.00 0.00 H new ATOM 348 N LEU A 24 -12.605 -8.719 4.428 1.00 0.00 N ATOM 349 CA LEU A 24 -12.510 -8.734 5.883 1.00 0.00 C ATOM 350 C LEU A 24 -11.678 -9.923 6.359 1.00 0.00 C ATOM 351 O LEU A 24 -11.050 -9.871 7.415 1.00 0.00 O ATOM 352 CB LEU A 24 -13.906 -8.786 6.510 1.00 0.00 C ATOM 353 CG LEU A 24 -14.040 -8.090 7.866 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.009 -8.624 8.847 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.898 -6.584 7.706 1.00 0.00 C ATOM 0 H LEU A 24 -13.517 -8.996 4.065 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.015 -7.816 6.200 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.615 -8.334 5.816 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.196 -9.830 6.626 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.032 -8.302 8.265 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.121 -8.116 9.805 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.158 -9.695 8.984 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.008 -8.444 8.456 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.996 -6.104 8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.920 -6.354 7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.677 -6.214 7.039 1.00 0.00 H new ATOM 367 N ALA A 25 -11.700 -11.000 5.582 1.00 0.00 N ATOM 368 CA ALA A 25 -10.961 -12.209 5.927 1.00 0.00 C ATOM 369 C ALA A 25 -9.510 -12.134 5.460 1.00 0.00 C ATOM 370 O ALA A 25 -8.592 -12.510 6.189 1.00 0.00 O ATOM 371 CB ALA A 25 -11.645 -13.425 5.322 1.00 0.00 C ATOM 0 H ALA A 25 -12.222 -11.061 4.708 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.954 -12.300 7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.087 -14.324 5.584 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.661 -13.502 5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.678 -13.322 4.237 1.00 0.00 H new ATOM 377 N VAL A 26 -9.311 -11.653 4.237 1.00 0.00 N ATOM 378 CA VAL A 26 -7.976 -11.536 3.663 1.00 0.00 C ATOM 379 C VAL A 26 -7.055 -10.720 4.559 1.00 0.00 C ATOM 380 O VAL A 26 -5.869 -11.014 4.671 1.00 0.00 O ATOM 381 CB VAL A 26 -8.011 -10.904 2.252 1.00 0.00 C ATOM 382 CG1 VAL A 26 -9.111 -11.536 1.411 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.194 -9.395 2.331 1.00 0.00 C ATOM 0 H VAL A 26 -10.061 -11.337 3.622 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.585 -12.550 3.581 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.053 -11.100 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.121 -11.079 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.926 -12.606 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.075 -11.377 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.215 -8.978 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.132 -9.168 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.366 -8.957 2.888 1.00 0.00 H new ATOM 393 N GLN A 27 -7.601 -9.691 5.194 1.00 0.00 N ATOM 394 CA GLN A 27 -6.809 -8.845 6.074 1.00 0.00 C ATOM 395 C GLN A 27 -6.139 -9.683 7.164 1.00 0.00 C ATOM 396 O GLN A 27 -4.922 -9.629 7.339 1.00 0.00 O ATOM 397 CB GLN A 27 -7.682 -7.738 6.684 1.00 0.00 C ATOM 398 CG GLN A 27 -8.714 -8.238 7.677 1.00 0.00 C ATOM 399 CD GLN A 27 -9.532 -7.116 8.286 1.00 0.00 C ATOM 400 OE1 GLN A 27 -10.005 -6.203 7.445 1.00 0.00 O flip ATOM 401 NE2 GLN A 27 -9.738 -7.070 9.499 1.00 0.00 N flip ATOM 0 H GLN A 27 -8.582 -9.424 5.117 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.024 -8.369 5.486 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.037 -7.014 7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.194 -7.209 5.880 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.382 -8.940 7.178 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.211 -8.788 8.472 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -9.356 -7.793 10.109 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -10.291 -6.309 9.894 1.00 0.00 H new ATOM 410 N GLU A 28 -6.938 -10.471 7.880 1.00 0.00 N ATOM 411 CA GLU A 28 -6.421 -11.334 8.934 1.00 0.00 C ATOM 412 C GLU A 28 -5.677 -12.533 8.341 1.00 0.00 C ATOM 413 O GLU A 28 -4.791 -13.105 8.975 1.00 0.00 O ATOM 414 CB GLU A 28 -7.576 -11.797 9.839 1.00 0.00 C ATOM 415 CG GLU A 28 -7.488 -13.250 10.281 1.00 0.00 C ATOM 416 CD GLU A 28 -8.497 -13.595 11.358 1.00 0.00 C ATOM 417 OE1 GLU A 28 -8.401 -13.025 12.465 1.00 0.00 O ATOM 418 OE2 GLU A 28 -9.385 -14.433 11.094 1.00 0.00 O ATOM 0 H GLU A 28 -7.948 -10.528 7.747 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.709 -10.768 9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.604 -11.162 10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.517 -11.648 9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.647 -13.898 9.419 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.483 -13.453 10.652 1.00 0.00 H new ATOM 425 N ARG A 29 -6.064 -12.915 7.126 1.00 0.00 N ATOM 426 CA ARG A 29 -5.462 -14.055 6.443 1.00 0.00 C ATOM 427 C ARG A 29 -4.107 -13.700 5.834 1.00 0.00 C ATOM 428 O ARG A 29 -3.204 -14.534 5.779 1.00 0.00 O ATOM 429 CB ARG A 29 -6.416 -14.557 5.356 1.00 0.00 C ATOM 430 CG ARG A 29 -5.872 -15.711 4.530 1.00 0.00 C ATOM 431 CD ARG A 29 -6.372 -17.049 5.045 1.00 0.00 C ATOM 432 NE ARG A 29 -7.537 -17.521 4.300 1.00 0.00 N ATOM 433 CZ ARG A 29 -8.389 -18.437 4.756 1.00 0.00 C ATOM 434 NH1 ARG A 29 -8.210 -18.984 5.951 1.00 0.00 N ATOM 435 NH2 ARG A 29 -9.424 -18.808 4.014 1.00 0.00 N ATOM 0 H ARG A 29 -6.797 -12.447 6.592 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.291 -14.842 7.178 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.349 -14.869 5.824 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.655 -13.729 4.689 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.170 -15.587 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.782 -15.695 4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.573 -17.787 4.974 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.629 -16.958 6.100 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.708 -17.125 3.376 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.416 -18.703 6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.866 -19.685 6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.567 -18.392 3.094 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.077 -19.510 4.363 1.00 0.00 H new ATOM 449 N LEU A 30 -3.974 -12.461 5.373 1.00 0.00 N ATOM 450 CA LEU A 30 -2.734 -11.997 4.761 1.00 0.00 C ATOM 451 C LEU A 30 -1.543 -12.244 5.682 1.00 0.00 C ATOM 452 O LEU A 30 -0.587 -12.923 5.307 1.00 0.00 O ATOM 453 CB LEU A 30 -2.843 -10.508 4.419 1.00 0.00 C ATOM 454 CG LEU A 30 -1.822 -9.997 3.398 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.408 -10.128 3.944 1.00 0.00 C ATOM 456 CD2 LEU A 30 -1.962 -10.750 2.083 1.00 0.00 C ATOM 0 H LEU A 30 -4.712 -11.758 5.412 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.573 -12.562 3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.845 -10.312 4.037 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.734 -9.932 5.338 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.019 -8.941 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.303 -9.760 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.316 -9.543 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.197 -11.175 4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.229 -10.374 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.792 -11.813 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.966 -10.603 1.684 1.00 0.00 H new ATOM 468 N LYS A 31 -1.609 -11.693 6.888 1.00 0.00 N ATOM 469 CA LYS A 31 -0.537 -11.859 7.865 1.00 0.00 C ATOM 470 C LYS A 31 -0.512 -13.282 8.424 1.00 0.00 C ATOM 471 O LYS A 31 0.422 -13.660 9.132 1.00 0.00 O ATOM 472 CB LYS A 31 -0.701 -10.856 9.008 1.00 0.00 C ATOM 473 CG LYS A 31 -1.934 -11.100 9.865 1.00 0.00 C ATOM 474 CD LYS A 31 -2.986 -10.022 9.656 1.00 0.00 C ATOM 475 CE LYS A 31 -3.503 -9.480 10.981 1.00 0.00 C ATOM 476 NZ LYS A 31 -4.890 -8.955 10.864 1.00 0.00 N ATOM 0 H LYS A 31 -2.393 -11.127 7.214 1.00 0.00 H new ATOM 0 HA LYS A 31 0.409 -11.674 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.185 -10.894 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.752 -9.850 8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.358 -12.074 9.623 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.647 -11.129 10.916 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.561 -9.207 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.817 -10.430 9.080 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.476 -10.270 11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.843 -8.686 11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.940 -8.008 11.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.155 -8.896 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.546 -9.593 11.359 1.00 0.00 H new ATOM 490 N ALA A 32 -1.541 -14.064 8.108 1.00 0.00 N ATOM 491 CA ALA A 32 -1.631 -15.436 8.586 1.00 0.00 C ATOM 492 C ALA A 32 -0.427 -16.258 8.141 1.00 0.00 C ATOM 493 O ALA A 32 -0.086 -17.267 8.759 1.00 0.00 O ATOM 494 CB ALA A 32 -2.917 -16.078 8.093 1.00 0.00 C ATOM 0 H ALA A 32 -2.323 -13.769 7.523 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.637 -15.414 9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.974 -17.104 8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.772 -15.513 8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.929 -16.078 7.003 1.00 0.00 H new ATOM 500 N GLY A 33 0.210 -15.822 7.059 1.00 0.00 N ATOM 501 CA GLY A 33 1.359 -16.524 6.542 1.00 0.00 C ATOM 502 C GLY A 33 1.491 -16.386 5.038 1.00 0.00 C ATOM 503 O GLY A 33 2.558 -16.641 4.476 1.00 0.00 O ATOM 0 H GLY A 33 -0.055 -14.990 6.532 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.261 -16.141 7.020 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.284 -17.580 6.802 1.00 0.00 H new ATOM 507 N GLU A 34 0.405 -15.983 4.383 1.00 0.00 N ATOM 508 CA GLU A 34 0.410 -15.814 2.934 1.00 0.00 C ATOM 509 C GLU A 34 1.083 -14.505 2.543 1.00 0.00 C ATOM 510 O GLU A 34 1.170 -13.574 3.346 1.00 0.00 O ATOM 511 CB GLU A 34 -1.015 -15.850 2.384 1.00 0.00 C ATOM 512 CG GLU A 34 -1.917 -14.767 2.954 1.00 0.00 C ATOM 513 CD GLU A 34 -3.368 -14.936 2.544 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.672 -15.902 1.813 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.201 -14.102 2.957 1.00 0.00 O ATOM 0 H GLU A 34 -0.486 -15.768 4.831 1.00 0.00 H new ATOM 0 HA GLU A 34 0.976 -16.639 2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.979 -15.747 1.299 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.453 -16.825 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.848 -14.778 4.042 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.561 -13.792 2.622 1.00 0.00 H new ATOM 522 N LYS A 35 1.558 -14.442 1.307 1.00 0.00 N ATOM 523 CA LYS A 35 2.226 -13.247 0.805 1.00 0.00 C ATOM 524 C LYS A 35 1.289 -12.419 -0.063 1.00 0.00 C ATOM 525 O LYS A 35 0.510 -12.960 -0.848 1.00 0.00 O ATOM 526 CB LYS A 35 3.473 -13.633 0.007 1.00 0.00 C ATOM 527 CG LYS A 35 4.455 -12.488 -0.178 1.00 0.00 C ATOM 528 CD LYS A 35 5.680 -12.928 -0.961 1.00 0.00 C ATOM 529 CE LYS A 35 6.679 -13.651 -0.072 1.00 0.00 C ATOM 530 NZ LYS A 35 7.728 -14.348 -0.866 1.00 0.00 N ATOM 0 H LYS A 35 1.494 -15.204 0.632 1.00 0.00 H new ATOM 0 HA LYS A 35 2.522 -12.642 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.978 -14.456 0.513 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.168 -14.001 -0.973 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.964 -11.666 -0.700 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.762 -12.109 0.797 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.376 -13.584 -1.777 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.156 -12.058 -1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.150 -12.935 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.153 -14.376 0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.389 -14.828 -0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.282 -15.050 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.247 -13.654 -1.440 1.00 0.00 H new ATOM 544 N PHE A 36 1.373 -11.101 0.083 1.00 0.00 N ATOM 545 CA PHE A 36 0.538 -10.187 -0.689 1.00 0.00 C ATOM 546 C PHE A 36 0.586 -10.528 -2.176 1.00 0.00 C ATOM 547 O PHE A 36 -0.389 -10.335 -2.901 1.00 0.00 O ATOM 548 CB PHE A 36 0.996 -8.742 -0.472 1.00 0.00 C ATOM 549 CG PHE A 36 2.490 -8.585 -0.435 1.00 0.00 C ATOM 550 CD1 PHE A 36 3.231 -8.615 -1.606 1.00 0.00 C ATOM 551 CD2 PHE A 36 3.152 -8.410 0.771 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.605 -8.473 -1.573 1.00 0.00 C ATOM 553 CE2 PHE A 36 4.525 -8.269 0.807 1.00 0.00 C ATOM 554 CZ PHE A 36 5.253 -8.301 -0.366 1.00 0.00 C ATOM 0 H PHE A 36 2.013 -10.641 0.731 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.490 -10.294 -0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.593 -8.118 -1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.577 -8.373 0.464 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.730 -8.751 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.588 -8.384 1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.172 -8.497 -2.492 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.029 -8.134 1.752 1.00 0.00 H new ATOM 0 HZ PHE A 36 6.327 -8.192 -0.339 1.00 0.00 H new ATOM 564 N GLY A 37 1.728 -11.041 -2.617 1.00 0.00 N ATOM 565 CA GLY A 37 1.889 -11.408 -4.011 1.00 0.00 C ATOM 566 C GLY A 37 0.948 -12.520 -4.427 1.00 0.00 C ATOM 567 O GLY A 37 0.485 -12.556 -5.567 1.00 0.00 O ATOM 0 H GLY A 37 2.547 -11.210 -2.033 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.713 -10.533 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.918 -11.722 -4.185 1.00 0.00 H new ATOM 571 N LYS A 38 0.668 -13.433 -3.503 1.00 0.00 N ATOM 572 CA LYS A 38 -0.221 -14.554 -3.784 1.00 0.00 C ATOM 573 C LYS A 38 -1.655 -14.076 -3.991 1.00 0.00 C ATOM 574 O LYS A 38 -2.275 -14.374 -5.010 1.00 0.00 O ATOM 575 CB LYS A 38 -0.172 -15.568 -2.640 1.00 0.00 C ATOM 576 CG LYS A 38 1.104 -16.394 -2.612 1.00 0.00 C ATOM 577 CD LYS A 38 0.847 -17.833 -3.033 1.00 0.00 C ATOM 578 CE LYS A 38 0.392 -18.684 -1.859 1.00 0.00 C ATOM 579 NZ LYS A 38 0.448 -20.139 -2.173 1.00 0.00 N ATOM 0 H LYS A 38 1.043 -13.419 -2.555 1.00 0.00 H new ATOM 0 HA LYS A 38 0.119 -15.032 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.273 -15.039 -1.692 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.027 -16.239 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.843 -15.946 -3.276 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.527 -16.378 -1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.088 -17.854 -3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.756 -18.256 -3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.021 -18.475 -0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.627 -18.411 -1.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.130 -20.685 -1.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.172 -20.344 -2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.425 -20.406 -2.409 1.00 0.00 H new ATOM 593 N LEU A 39 -2.174 -13.328 -3.017 1.00 0.00 N ATOM 594 CA LEU A 39 -3.535 -12.805 -3.089 1.00 0.00 C ATOM 595 C LEU A 39 -3.746 -12.032 -4.383 1.00 0.00 C ATOM 596 O LEU A 39 -4.837 -12.043 -4.951 1.00 0.00 O ATOM 597 CB LEU A 39 -3.832 -11.887 -1.897 1.00 0.00 C ATOM 598 CG LEU A 39 -3.836 -12.553 -0.512 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.654 -13.833 -0.525 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.420 -12.836 -0.031 1.00 0.00 C ATOM 0 H LEU A 39 -1.670 -13.071 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.217 -13.655 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.093 -11.085 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.805 -11.422 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.299 -11.854 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.640 -14.284 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.682 -13.605 -0.806 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.227 -14.530 -1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.457 -13.307 0.951 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.923 -13.503 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.865 -11.900 0.036 1.00 0.00 H new ATOM 612 N ALA A 40 -2.693 -11.364 -4.848 1.00 0.00 N ATOM 613 CA ALA A 40 -2.768 -10.580 -6.077 1.00 0.00 C ATOM 614 C ALA A 40 -3.334 -11.422 -7.215 1.00 0.00 C ATOM 615 O ALA A 40 -4.297 -11.033 -7.876 1.00 0.00 O ATOM 616 CB ALA A 40 -1.393 -10.045 -6.443 1.00 0.00 C ATOM 0 H ALA A 40 -1.780 -11.350 -4.393 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.437 -9.736 -5.911 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.462 -9.462 -7.361 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.023 -9.411 -5.637 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.706 -10.878 -6.593 1.00 0.00 H new ATOM 622 N LYS A 41 -2.735 -12.582 -7.425 1.00 0.00 N ATOM 623 CA LYS A 41 -3.175 -13.501 -8.461 1.00 0.00 C ATOM 624 C LYS A 41 -4.287 -14.420 -7.954 1.00 0.00 C ATOM 625 O LYS A 41 -5.040 -14.990 -8.743 1.00 0.00 O ATOM 626 CB LYS A 41 -1.997 -14.338 -8.961 1.00 0.00 C ATOM 627 CG LYS A 41 -1.407 -15.254 -7.902 1.00 0.00 C ATOM 628 CD LYS A 41 -0.081 -15.845 -8.351 1.00 0.00 C ATOM 629 CE LYS A 41 0.926 -15.887 -7.213 1.00 0.00 C ATOM 630 NZ LYS A 41 0.736 -17.084 -6.348 1.00 0.00 N ATOM 0 H LYS A 41 -1.935 -12.912 -6.886 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.572 -12.908 -9.285 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.324 -14.940 -9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.217 -13.670 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -1.263 -14.696 -6.977 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.109 -16.058 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.242 -16.853 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.322 -15.253 -9.173 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.936 -15.891 -7.622 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.830 -14.984 -6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.442 -17.076 -5.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.219 -17.067 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.853 -17.946 -6.918 1.00 0.00 H new ATOM 644 N GLU A 42 -4.348 -14.603 -6.634 1.00 0.00 N ATOM 645 CA GLU A 42 -5.326 -15.507 -6.032 1.00 0.00 C ATOM 646 C GLU A 42 -6.764 -14.977 -6.080 1.00 0.00 C ATOM 647 O GLU A 42 -7.600 -15.524 -6.799 1.00 0.00 O ATOM 648 CB GLU A 42 -4.917 -15.799 -4.585 1.00 0.00 C ATOM 649 CG GLU A 42 -4.526 -17.247 -4.346 1.00 0.00 C ATOM 650 CD GLU A 42 -5.608 -18.035 -3.633 1.00 0.00 C ATOM 651 OE1 GLU A 42 -6.800 -17.707 -3.814 1.00 0.00 O ATOM 652 OE2 GLU A 42 -5.264 -18.980 -2.891 1.00 0.00 O ATOM 0 H GLU A 42 -3.734 -14.139 -5.965 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.324 -16.422 -6.625 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.079 -15.156 -4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.743 -15.540 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.306 -17.722 -5.302 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.610 -17.279 -3.756 1.00 0.00 H new ATOM 659 N LEU A 43 -7.063 -13.923 -5.318 1.00 0.00 N ATOM 660 CA LEU A 43 -8.421 -13.368 -5.307 1.00 0.00 C ATOM 661 C LEU A 43 -8.458 -11.913 -5.763 1.00 0.00 C ATOM 662 O LEU A 43 -9.531 -11.367 -6.017 1.00 0.00 O ATOM 663 CB LEU A 43 -9.065 -13.491 -3.921 1.00 0.00 C ATOM 664 CG LEU A 43 -8.157 -13.183 -2.729 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.185 -14.325 -2.493 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.415 -11.870 -2.938 1.00 0.00 C ATOM 0 H LEU A 43 -6.399 -13.443 -4.711 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.995 -13.959 -6.020 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.924 -12.821 -3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.447 -14.506 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.780 -13.077 -1.841 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.547 -14.089 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.741 -15.240 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.568 -14.467 -3.380 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.776 -11.672 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.803 -11.937 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.135 -11.059 -3.049 1.00 0.00 H new ATOM 678 N SER A 44 -7.296 -11.281 -5.854 1.00 0.00 N ATOM 679 CA SER A 44 -7.232 -9.885 -6.266 1.00 0.00 C ATOM 680 C SER A 44 -7.730 -9.710 -7.699 1.00 0.00 C ATOM 681 O SER A 44 -7.404 -10.503 -8.583 1.00 0.00 O ATOM 682 CB SER A 44 -5.798 -9.384 -6.147 1.00 0.00 C ATOM 683 OG SER A 44 -5.626 -8.584 -4.995 1.00 0.00 O ATOM 0 H SER A 44 -6.392 -11.708 -5.650 1.00 0.00 H new ATOM 0 HA SER A 44 -7.879 -9.301 -5.611 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.116 -10.234 -6.107 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.537 -8.807 -7.035 1.00 0.00 H new ATOM 0 HG SER A 44 -4.783 -8.088 -5.064 1.00 0.00 H new ATOM 689 N ILE A 45 -8.516 -8.658 -7.920 1.00 0.00 N ATOM 690 CA ILE A 45 -9.055 -8.368 -9.247 1.00 0.00 C ATOM 691 C ILE A 45 -8.346 -7.169 -9.875 1.00 0.00 C ATOM 692 O ILE A 45 -8.608 -6.810 -11.022 1.00 0.00 O ATOM 693 CB ILE A 45 -10.577 -8.101 -9.214 1.00 0.00 C ATOM 694 CG1 ILE A 45 -10.979 -7.397 -7.917 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.342 -9.406 -9.366 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.103 -6.402 -8.082 1.00 0.00 C ATOM 0 H ILE A 45 -8.793 -7.993 -7.198 1.00 0.00 H new ATOM 0 HA ILE A 45 -8.877 -9.256 -9.854 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.828 -7.446 -10.048 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.277 -8.148 -7.185 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.109 -6.882 -7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.413 -9.205 -9.341 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.082 -9.872 -10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.080 -10.079 -8.549 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.329 -5.946 -7.118 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -11.803 -5.628 -8.788 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.989 -6.913 -8.458 1.00 0.00 H new ATOM 745 N ALA A 50 -1.686 -6.164 -10.787 1.00 0.00 N ATOM 746 CA ALA A 50 -1.709 -7.407 -10.020 1.00 0.00 C ATOM 747 C ALA A 50 -0.556 -8.318 -10.425 1.00 0.00 C ATOM 748 O ALA A 50 -0.162 -9.210 -9.675 1.00 0.00 O ATOM 749 CB ALA A 50 -3.035 -8.127 -10.202 1.00 0.00 C ATOM 0 HA ALA A 50 -1.593 -7.152 -8.967 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.030 -9.050 -9.622 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.847 -7.486 -9.858 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.180 -8.362 -11.257 1.00 0.00 H new ATOM 755 N LYS A 51 -0.012 -8.079 -11.615 1.00 0.00 N ATOM 756 CA LYS A 51 1.102 -8.866 -12.120 1.00 0.00 C ATOM 757 C LYS A 51 2.392 -8.467 -11.414 1.00 0.00 C ATOM 758 O LYS A 51 3.447 -9.067 -11.628 1.00 0.00 O ATOM 759 CB LYS A 51 1.237 -8.667 -13.631 1.00 0.00 C ATOM 760 CG LYS A 51 0.848 -9.890 -14.444 1.00 0.00 C ATOM 761 CD LYS A 51 0.099 -9.504 -15.711 1.00 0.00 C ATOM 762 CE LYS A 51 0.921 -8.571 -16.584 1.00 0.00 C ATOM 763 NZ LYS A 51 0.318 -8.396 -17.935 1.00 0.00 N ATOM 0 H LYS A 51 -0.328 -7.344 -12.247 1.00 0.00 H new ATOM 0 HA LYS A 51 0.911 -9.920 -11.920 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.614 -7.826 -13.935 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.268 -8.400 -13.863 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.744 -10.453 -14.707 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.225 -10.548 -13.838 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.152 -10.403 -16.274 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.841 -9.021 -15.446 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.007 -7.600 -16.097 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.932 -8.967 -16.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.910 -7.752 -18.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.259 -9.319 -18.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.637 -7.994 -17.840 1.00 0.00 H new ATOM 777 N ARG A 52 2.293 -7.445 -10.572 1.00 0.00 N ATOM 778 CA ARG A 52 3.429 -6.943 -9.822 1.00 0.00 C ATOM 779 C ARG A 52 3.348 -7.397 -8.365 1.00 0.00 C ATOM 780 O ARG A 52 3.894 -6.749 -7.475 1.00 0.00 O ATOM 781 CB ARG A 52 3.481 -5.414 -9.898 1.00 0.00 C ATOM 782 CG ARG A 52 2.787 -4.823 -11.121 1.00 0.00 C ATOM 783 CD ARG A 52 3.610 -3.707 -11.745 1.00 0.00 C ATOM 784 NE ARG A 52 3.152 -2.385 -11.322 1.00 0.00 N ATOM 785 CZ ARG A 52 3.523 -1.250 -11.911 1.00 0.00 C ATOM 786 NH1 ARG A 52 4.357 -1.271 -12.944 1.00 0.00 N ATOM 787 NH2 ARG A 52 3.060 -0.090 -11.465 1.00 0.00 N ATOM 0 H ARG A 52 1.423 -6.944 -10.393 1.00 0.00 H new ATOM 0 HA ARG A 52 4.341 -7.347 -10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.022 -5.001 -8.999 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.524 -5.097 -9.898 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.617 -5.607 -11.859 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.808 -4.438 -10.834 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.657 -3.832 -11.471 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.554 -3.779 -12.831 1.00 0.00 H new ATOM 0 HE ARG A 52 2.511 -2.329 -10.530 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.717 -2.160 -13.291 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.637 -0.398 -13.391 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.420 -0.068 -10.671 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.344 0.780 -11.916 1.00 0.00 H new ATOM 801 N ASP A 53 2.643 -8.507 -8.140 1.00 0.00 N ATOM 802 CA ASP A 53 2.461 -9.065 -6.800 1.00 0.00 C ATOM 803 C ASP A 53 1.848 -8.037 -5.854 1.00 0.00 C ATOM 804 O ASP A 53 2.138 -8.022 -4.658 1.00 0.00 O ATOM 805 CB ASP A 53 3.790 -9.606 -6.245 1.00 0.00 C ATOM 806 CG ASP A 53 4.734 -8.520 -5.760 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.558 -8.046 -4.618 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.653 -8.151 -6.519 1.00 0.00 O ATOM 0 H ASP A 53 2.184 -9.042 -8.878 1.00 0.00 H new ATOM 0 HA ASP A 53 1.765 -9.900 -6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.579 -10.287 -5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.288 -10.188 -7.020 1.00 0.00 H new ATOM 813 N GLY A 54 0.986 -7.184 -6.403 1.00 0.00 N ATOM 814 CA GLY A 54 0.329 -6.163 -5.606 1.00 0.00 C ATOM 815 C GLY A 54 1.299 -5.348 -4.774 1.00 0.00 C ATOM 816 O GLY A 54 0.921 -4.777 -3.750 1.00 0.00 O ATOM 0 H GLY A 54 0.730 -7.183 -7.390 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.226 -5.496 -6.266 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.398 -6.636 -4.947 1.00 0.00 H new ATOM 820 N SER A 55 2.549 -5.291 -5.213 1.00 0.00 N ATOM 821 CA SER A 55 3.571 -4.537 -4.502 1.00 0.00 C ATOM 822 C SER A 55 3.548 -3.077 -4.930 1.00 0.00 C ATOM 823 O SER A 55 4.265 -2.673 -5.845 1.00 0.00 O ATOM 824 CB SER A 55 4.954 -5.134 -4.755 1.00 0.00 C ATOM 825 OG SER A 55 5.381 -5.917 -3.654 1.00 0.00 O ATOM 0 H SER A 55 2.879 -5.758 -6.058 1.00 0.00 H new ATOM 0 HA SER A 55 3.356 -4.595 -3.435 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.929 -5.749 -5.655 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.671 -4.334 -4.936 1.00 0.00 H new ATOM 0 HG SER A 55 5.465 -6.853 -3.931 1.00 0.00 H new ATOM 831 N LEU A 56 2.719 -2.292 -4.258 1.00 0.00 N ATOM 832 CA LEU A 56 2.598 -0.873 -4.558 1.00 0.00 C ATOM 833 C LEU A 56 3.921 -0.153 -4.314 1.00 0.00 C ATOM 834 O LEU A 56 4.128 0.963 -4.790 1.00 0.00 O ATOM 835 CB LEU A 56 1.487 -0.248 -3.707 1.00 0.00 C ATOM 836 CG LEU A 56 0.057 -0.567 -4.155 1.00 0.00 C ATOM 837 CD1 LEU A 56 -0.935 0.347 -3.455 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.081 -0.451 -5.666 1.00 0.00 C ATOM 0 H LEU A 56 2.119 -2.615 -3.499 1.00 0.00 H new ATOM 0 HA LEU A 56 2.340 -0.764 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.610 -0.583 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.617 0.834 -3.708 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.164 -1.597 -3.876 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.946 0.107 -3.785 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.862 0.206 -2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.710 1.385 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.106 -0.683 -5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.164 0.565 -5.977 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.600 -1.152 -6.148 1.00 0.00 H new ATOM 850 N GLY A 57 4.815 -0.798 -3.566 1.00 0.00 N ATOM 851 CA GLY A 57 6.105 -0.203 -3.272 1.00 0.00 C ATOM 852 C GLY A 57 5.974 1.175 -2.675 1.00 0.00 C ATOM 853 O GLY A 57 4.872 1.617 -2.349 1.00 0.00 O ATOM 0 H GLY A 57 4.667 -1.722 -3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.651 -0.846 -2.581 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.694 -0.146 -4.187 1.00 0.00 H new ATOM 857 N TYR A 58 7.098 1.855 -2.534 1.00 0.00 N ATOM 858 CA TYR A 58 7.102 3.191 -1.970 1.00 0.00 C ATOM 859 C TYR A 58 6.256 4.148 -2.792 1.00 0.00 C ATOM 860 O TYR A 58 6.564 4.437 -3.948 1.00 0.00 O ATOM 861 CB TYR A 58 8.514 3.747 -1.870 1.00 0.00 C ATOM 862 CG TYR A 58 9.381 3.474 -3.076 1.00 0.00 C ATOM 863 CD1 TYR A 58 10.140 2.314 -3.172 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.439 4.386 -4.122 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.934 2.071 -4.277 1.00 0.00 C ATOM 866 CE2 TYR A 58 10.230 4.151 -5.231 1.00 0.00 C ATOM 867 CZ TYR A 58 10.974 2.992 -5.304 1.00 0.00 C ATOM 868 OH TYR A 58 11.763 2.754 -6.406 1.00 0.00 O ATOM 0 H TYR A 58 8.017 1.504 -2.802 1.00 0.00 H new ATOM 0 HA TYR A 58 6.676 3.105 -0.971 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.457 4.825 -1.716 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.996 3.324 -0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 58 10.109 1.591 -2.370 1.00 0.00 H new ATOM 0 HD2 TYR A 58 8.856 5.294 -4.068 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.520 1.166 -4.336 1.00 0.00 H new ATOM 0 HE2 TYR A 58 10.265 4.871 -6.035 1.00 0.00 H new ATOM 0 HH TYR A 58 11.677 3.499 -7.037 1.00 0.00 H new ATOM 878 N PHE A 59 5.211 4.662 -2.169 1.00 0.00 N ATOM 879 CA PHE A 59 4.336 5.621 -2.809 1.00 0.00 C ATOM 880 C PHE A 59 3.961 6.696 -1.820 1.00 0.00 C ATOM 881 O PHE A 59 3.750 6.428 -0.639 1.00 0.00 O ATOM 882 CB PHE A 59 3.082 4.964 -3.359 1.00 0.00 C ATOM 883 CG PHE A 59 2.299 4.195 -2.334 1.00 0.00 C ATOM 884 CD1 PHE A 59 1.625 4.858 -1.321 1.00 0.00 C ATOM 885 CD2 PHE A 59 2.233 2.814 -2.385 1.00 0.00 C ATOM 886 CE1 PHE A 59 0.901 4.157 -0.376 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.510 2.106 -1.443 1.00 0.00 C ATOM 888 CZ PHE A 59 0.843 2.779 -0.437 1.00 0.00 C ATOM 0 H PHE A 59 4.948 4.427 -1.212 1.00 0.00 H new ATOM 0 HA PHE A 59 4.873 6.058 -3.651 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.441 5.732 -3.791 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.362 4.290 -4.169 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.666 5.936 -1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.752 2.283 -3.169 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.381 4.686 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.467 1.028 -1.493 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.278 2.228 0.300 1.00 0.00 H new ATOM 898 N GLY A 60 3.900 7.912 -2.307 1.00 0.00 N ATOM 899 CA GLY A 60 3.574 9.026 -1.446 1.00 0.00 C ATOM 900 C GLY A 60 2.085 9.304 -1.400 1.00 0.00 C ATOM 901 O GLY A 60 1.289 8.547 -1.957 1.00 0.00 O ATOM 0 H GLY A 60 4.069 8.155 -3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.934 8.820 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.097 9.917 -1.795 1.00 0.00 H new ATOM 905 N ARG A 61 1.703 10.388 -0.736 1.00 0.00 N ATOM 906 CA ARG A 61 0.304 10.758 -0.619 1.00 0.00 C ATOM 907 C ARG A 61 -0.104 11.654 -1.775 1.00 0.00 C ATOM 908 O ARG A 61 0.170 12.856 -1.768 1.00 0.00 O ATOM 909 CB ARG A 61 0.054 11.472 0.710 1.00 0.00 C ATOM 910 CG ARG A 61 1.008 12.627 0.967 1.00 0.00 C ATOM 911 CD ARG A 61 0.266 13.876 1.420 1.00 0.00 C ATOM 912 NE ARG A 61 0.916 15.099 0.953 1.00 0.00 N ATOM 913 CZ ARG A 61 2.103 15.520 1.385 1.00 0.00 C ATOM 914 NH1 ARG A 61 2.774 14.820 2.292 1.00 0.00 N ATOM 915 NH2 ARG A 61 2.621 16.643 0.910 1.00 0.00 N ATOM 0 H ARG A 61 2.348 11.026 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.298 9.850 -0.650 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.970 11.846 0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.142 10.751 1.523 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.733 12.338 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.569 12.846 0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.758 13.845 1.047 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.209 13.889 2.508 1.00 0.00 H new ATOM 0 HE ARG A 61 0.432 15.663 0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.381 13.955 2.662 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.683 15.148 2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.110 17.185 0.213 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.530 16.965 1.241 1.00 0.00 H new ATOM 929 N GLY A 62 -0.757 11.068 -2.766 1.00 0.00 N ATOM 930 CA GLY A 62 -1.187 11.839 -3.910 1.00 0.00 C ATOM 931 C GLY A 62 -1.179 11.047 -5.206 1.00 0.00 C ATOM 932 O GLY A 62 -0.856 11.586 -6.264 1.00 0.00 O ATOM 0 H GLY A 62 -0.996 10.077 -2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.194 12.215 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.537 12.707 -4.019 1.00 0.00 H new ATOM 936 N LYS A 63 -1.532 9.765 -5.130 1.00 0.00 N ATOM 937 CA LYS A 63 -1.556 8.914 -6.317 1.00 0.00 C ATOM 938 C LYS A 63 -2.593 7.797 -6.188 1.00 0.00 C ATOM 939 O LYS A 63 -2.535 6.802 -6.911 1.00 0.00 O ATOM 940 CB LYS A 63 -0.170 8.313 -6.563 1.00 0.00 C ATOM 941 CG LYS A 63 0.325 8.489 -7.991 1.00 0.00 C ATOM 942 CD LYS A 63 0.299 7.175 -8.758 1.00 0.00 C ATOM 943 CE LYS A 63 0.979 7.307 -10.111 1.00 0.00 C ATOM 944 NZ LYS A 63 0.785 6.093 -10.951 1.00 0.00 N ATOM 0 H LYS A 63 -1.803 9.296 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.837 9.537 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.543 8.775 -5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.197 7.250 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.296 9.223 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.341 8.884 -7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.797 6.401 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.733 6.854 -8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.582 8.177 -10.634 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.045 7.481 -9.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.264 6.223 -11.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.187 5.266 -10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.231 5.940 -11.111 1.00 0.00 H new ATOM 958 N MET A 64 -3.542 7.962 -5.270 1.00 0.00 N ATOM 959 CA MET A 64 -4.584 6.961 -5.064 1.00 0.00 C ATOM 960 C MET A 64 -5.866 7.603 -4.540 1.00 0.00 C ATOM 961 O MET A 64 -5.894 8.797 -4.240 1.00 0.00 O ATOM 962 CB MET A 64 -4.102 5.887 -4.087 1.00 0.00 C ATOM 963 CG MET A 64 -3.462 6.453 -2.831 1.00 0.00 C ATOM 964 SD MET A 64 -1.737 5.963 -2.644 1.00 0.00 S ATOM 965 CE MET A 64 -1.838 4.929 -1.185 1.00 0.00 C ATOM 0 H MET A 64 -3.611 8.776 -4.659 1.00 0.00 H new ATOM 0 HA MET A 64 -4.801 6.498 -6.027 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.947 5.260 -3.803 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.383 5.243 -4.593 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.525 7.541 -2.855 1.00 0.00 H new ATOM 0 HG3 MET A 64 -4.026 6.120 -1.960 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.385 5.447 -0.340 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.883 4.715 -0.962 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.307 3.994 -1.364 1.00 0.00 H new ATOM 975 N VAL A 65 -6.923 6.803 -4.430 1.00 0.00 N ATOM 976 CA VAL A 65 -8.204 7.297 -3.939 1.00 0.00 C ATOM 977 C VAL A 65 -8.069 7.833 -2.515 1.00 0.00 C ATOM 978 O VAL A 65 -7.130 7.487 -1.798 1.00 0.00 O ATOM 979 CB VAL A 65 -9.286 6.198 -3.978 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.493 5.700 -5.401 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.915 5.047 -3.056 1.00 0.00 C ATOM 0 H VAL A 65 -6.917 5.813 -4.674 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.512 8.108 -4.599 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.224 6.629 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.260 4.925 -5.407 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.809 6.529 -6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.558 5.288 -5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.691 4.283 -3.098 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.965 4.618 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.823 5.415 -2.034 1.00 0.00 H new ATOM 991 N LYS A 66 -9.002 8.690 -2.117 1.00 0.00 N ATOM 992 CA LYS A 66 -8.983 9.292 -0.786 1.00 0.00 C ATOM 993 C LYS A 66 -9.087 8.252 0.336 1.00 0.00 C ATOM 994 O LYS A 66 -8.322 8.301 1.299 1.00 0.00 O ATOM 995 CB LYS A 66 -10.115 10.314 -0.657 1.00 0.00 C ATOM 996 CG LYS A 66 -9.630 11.753 -0.598 1.00 0.00 C ATOM 997 CD LYS A 66 -9.820 12.464 -1.931 1.00 0.00 C ATOM 998 CE LYS A 66 -10.920 13.510 -1.855 1.00 0.00 C ATOM 999 NZ LYS A 66 -12.261 12.893 -1.652 1.00 0.00 N ATOM 0 H LYS A 66 -9.786 8.986 -2.699 1.00 0.00 H new ATOM 0 HA LYS A 66 -8.019 9.788 -0.674 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.793 10.202 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.690 10.096 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -10.172 12.289 0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.576 11.771 -0.322 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.885 12.939 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -10.064 11.733 -2.702 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -10.710 14.199 -1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -10.926 14.098 -2.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.983 13.640 -1.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -12.473 12.255 -2.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -12.264 12.353 -0.763 1.00 0.00 H new ATOM 1013 N PRO A 67 -10.039 7.304 0.246 1.00 0.00 N ATOM 1014 CA PRO A 67 -10.218 6.280 1.282 1.00 0.00 C ATOM 1015 C PRO A 67 -9.010 5.363 1.393 1.00 0.00 C ATOM 1016 O PRO A 67 -8.598 4.986 2.490 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.443 5.487 0.821 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.624 5.808 -0.622 1.00 0.00 C ATOM 1019 CD PRO A 67 -11.008 7.160 -0.853 1.00 0.00 C ATOM 0 HA PRO A 67 -10.340 6.727 2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.292 4.417 0.966 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.326 5.765 1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.146 5.054 -1.248 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.682 5.816 -0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.519 7.215 -1.826 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.759 7.950 -0.829 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.453 5.010 0.247 1.00 0.00 N ATOM 1028 CA PHE A 68 -7.288 4.131 0.201 1.00 0.00 C ATOM 1029 C PHE A 68 -6.028 4.880 0.619 1.00 0.00 C ATOM 1030 O PHE A 68 -5.284 4.425 1.487 1.00 0.00 O ATOM 1031 CB PHE A 68 -7.112 3.551 -1.205 1.00 0.00 C ATOM 1032 CG PHE A 68 -6.234 2.333 -1.260 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -6.764 1.072 -1.039 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -4.883 2.449 -1.542 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -5.960 -0.052 -1.098 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -4.075 1.331 -1.601 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.615 0.078 -1.379 1.00 0.00 C ATOM 0 H PHE A 68 -8.786 5.317 -0.667 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.453 3.313 0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.093 3.297 -1.607 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.691 4.319 -1.853 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.816 0.966 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.457 3.426 -1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.384 -1.030 -0.924 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.023 1.435 -1.820 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.985 -0.798 -1.425 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.795 6.033 0.000 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.626 6.846 0.311 1.00 0.00 C ATOM 1049 C GLU A 69 -4.599 7.209 1.791 1.00 0.00 C ATOM 1050 O GLU A 69 -3.530 7.340 2.391 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.627 8.117 -0.537 1.00 0.00 C ATOM 1052 CG GLU A 69 -3.252 8.745 -0.694 1.00 0.00 C ATOM 1053 CD GLU A 69 -3.019 9.888 0.274 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.787 10.871 0.228 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -2.068 9.798 1.079 1.00 0.00 O ATOM 0 H GLU A 69 -6.401 6.425 -0.720 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.734 6.264 0.081 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.026 7.885 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.300 8.845 -0.085 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.489 7.982 -0.540 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.137 9.109 -1.715 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.780 7.369 2.373 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.898 7.717 3.784 1.00 0.00 C ATOM 1064 C ASP A 70 -5.385 6.586 4.670 1.00 0.00 C ATOM 1065 O ASP A 70 -4.587 6.810 5.580 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.354 8.032 4.133 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.504 8.599 5.530 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -7.214 9.799 5.718 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -7.911 7.843 6.437 1.00 0.00 O ATOM 0 H ASP A 70 -6.672 7.263 1.889 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.287 8.602 3.965 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.752 8.744 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.950 7.124 4.047 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.850 5.371 4.399 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.444 4.202 5.170 1.00 0.00 C ATOM 1076 C ALA A 71 -4.026 3.754 4.818 1.00 0.00 C ATOM 1077 O ALA A 71 -3.460 2.886 5.482 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.428 3.062 4.951 1.00 0.00 C ATOM 0 H ALA A 71 -6.511 5.170 3.648 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.447 4.483 6.223 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.115 2.194 5.532 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.422 3.373 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.453 2.801 3.893 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.459 4.337 3.764 1.00 0.00 N ATOM 1085 CA ALA A 72 -2.113 3.982 3.327 1.00 0.00 C ATOM 1086 C ALA A 72 -1.063 4.387 4.359 1.00 0.00 C ATOM 1087 O ALA A 72 -0.180 3.600 4.701 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.809 4.628 1.985 1.00 0.00 C ATOM 0 H ALA A 72 -3.911 5.056 3.198 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.072 2.898 3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.802 4.355 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.528 4.281 1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.879 5.712 2.079 1.00 0.00 H new ATOM 1094 N PHE A 73 -1.160 5.619 4.842 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.214 6.135 5.827 1.00 0.00 C ATOM 1096 C PHE A 73 -0.718 5.920 7.254 1.00 0.00 C ATOM 1097 O PHE A 73 -0.227 6.549 8.192 1.00 0.00 O ATOM 1098 CB PHE A 73 0.036 7.624 5.587 1.00 0.00 C ATOM 1099 CG PHE A 73 -1.228 8.419 5.428 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -2.047 8.665 6.519 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -1.600 8.914 4.189 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -3.214 9.390 6.375 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.765 9.641 4.042 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.573 9.878 5.135 1.00 0.00 C ATOM 0 H PHE A 73 -1.885 6.282 4.568 1.00 0.00 H new ATOM 0 HA PHE A 73 0.720 5.585 5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.609 8.028 6.421 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.647 7.743 4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.770 8.286 7.492 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.973 8.730 3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.845 9.575 7.232 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.044 10.024 3.071 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.485 10.445 5.020 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.700 5.037 7.416 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.259 4.760 8.733 1.00 0.00 C ATOM 1116 C ARG A 74 -1.685 3.470 9.308 1.00 0.00 C ATOM 1117 O ARG A 74 -1.615 3.299 10.525 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.783 4.666 8.654 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.499 5.845 9.293 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.766 6.204 8.534 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.213 7.563 8.828 1.00 0.00 N ATOM 1122 CZ ARG A 74 -6.885 7.903 9.925 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -7.193 6.986 10.835 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -7.255 9.161 10.115 1.00 0.00 N ATOM 0 H ARG A 74 -2.122 4.504 6.655 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.988 5.582 9.395 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.081 4.594 7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.108 3.747 9.141 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.748 5.604 10.326 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.832 6.707 9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.588 6.105 7.463 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.556 5.499 8.793 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.997 8.295 8.152 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.914 6.015 10.695 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.708 7.253 11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.025 9.871 9.420 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.770 9.420 10.957 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.282 2.562 8.427 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.722 1.286 8.854 1.00 0.00 C ATOM 1140 C LEU A 75 0.793 1.265 8.705 1.00 0.00 C ATOM 1141 O LEU A 75 1.350 0.409 8.018 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.342 0.140 8.055 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.813 -0.170 8.356 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.044 -1.663 8.274 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.227 0.346 9.728 1.00 0.00 C ATOM 0 H LEU A 75 -1.332 2.685 7.416 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.959 1.157 9.910 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.250 0.372 6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.757 -0.761 8.236 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.425 0.340 7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.090 -1.882 8.488 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.798 -2.015 7.272 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.411 -2.170 9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.276 0.107 9.905 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.613 -0.126 10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.089 1.427 9.767 1.00 0.00 H new ATOM 1157 N GLN A 76 1.457 2.198 9.373 1.00 0.00 N ATOM 1158 CA GLN A 76 2.908 2.270 9.333 1.00 0.00 C ATOM 1159 C GLN A 76 3.510 1.079 10.075 1.00 0.00 C ATOM 1160 O GLN A 76 4.679 0.740 9.889 1.00 0.00 O ATOM 1161 CB GLN A 76 3.393 3.580 9.952 1.00 0.00 C ATOM 1162 CG GLN A 76 3.396 4.746 8.976 1.00 0.00 C ATOM 1163 CD GLN A 76 4.535 5.715 9.228 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.692 5.425 8.921 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.212 6.873 9.792 1.00 0.00 N ATOM 0 H GLN A 76 1.013 2.914 9.948 1.00 0.00 H new ATOM 0 HA GLN A 76 3.233 2.238 8.293 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.757 3.829 10.802 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.402 3.438 10.340 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.469 4.363 7.958 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.448 5.279 9.049 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.240 7.071 10.030 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.936 7.564 9.988 1.00 0.00 H new ATOM 1174 N VAL A 77 2.690 0.446 10.909 1.00 0.00 N ATOM 1175 CA VAL A 77 3.111 -0.716 11.681 1.00 0.00 C ATOM 1176 C VAL A 77 3.407 -1.897 10.760 1.00 0.00 C ATOM 1177 O VAL A 77 4.196 -2.778 11.098 1.00 0.00 O ATOM 1178 CB VAL A 77 2.024 -1.128 12.706 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.648 -1.129 12.057 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.326 -2.491 13.318 1.00 0.00 C ATOM 0 H VAL A 77 1.721 0.723 11.067 1.00 0.00 H new ATOM 0 HA VAL A 77 4.018 -0.440 12.218 1.00 0.00 H new ATOM 0 HB VAL A 77 2.030 -0.392 13.510 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.101 -1.421 12.793 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.421 -0.130 11.684 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.637 -1.837 11.228 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.545 -2.750 14.032 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.362 -3.244 12.530 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.288 -2.455 13.829 1.00 0.00 H new ATOM 1190 N GLY A 78 2.757 -1.912 9.602 1.00 0.00 N ATOM 1191 CA GLY A 78 2.954 -2.997 8.664 1.00 0.00 C ATOM 1192 C GLY A 78 1.890 -4.048 8.804 1.00 0.00 C ATOM 1193 O GLY A 78 2.180 -5.211 9.089 1.00 0.00 O ATOM 0 H GLY A 78 2.099 -1.194 9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.948 -2.605 7.647 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.934 -3.446 8.827 1.00 0.00 H new ATOM 1197 N GLU A 79 0.652 -3.633 8.637 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.472 -4.534 8.777 1.00 0.00 C ATOM 1199 C GLU A 79 -1.518 -4.269 7.713 1.00 0.00 C ATOM 1200 O GLU A 79 -1.390 -3.331 6.924 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.077 -4.343 10.159 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.798 -5.562 10.698 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.283 -5.329 10.892 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.649 -4.300 11.497 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -4.081 -6.176 10.437 1.00 0.00 O ATOM 0 H GLU A 79 0.398 -2.673 8.403 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.126 -5.560 8.655 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.285 -4.067 10.855 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.776 -3.508 10.124 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.653 -6.397 10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.353 -5.850 11.650 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.563 -5.083 7.698 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.629 -4.905 6.733 1.00 0.00 C ATOM 1214 C VAL A 80 -4.664 -3.926 7.268 1.00 0.00 C ATOM 1215 O VAL A 80 -4.875 -3.835 8.477 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.320 -6.233 6.372 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.312 -6.023 5.237 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.291 -7.292 5.999 1.00 0.00 C ATOM 0 H VAL A 80 -2.692 -5.866 8.339 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.173 -4.509 5.825 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.867 -6.586 7.247 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.792 -6.971 4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.069 -5.301 5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.786 -5.646 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.801 -8.222 5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.713 -6.951 5.140 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.622 -7.462 6.842 1.00 0.00 H new ATOM 1228 N SER A 81 -5.298 -3.181 6.371 1.00 0.00 N ATOM 1229 CA SER A 81 -6.293 -2.195 6.773 1.00 0.00 C ATOM 1230 C SER A 81 -7.707 -2.678 6.469 1.00 0.00 C ATOM 1231 O SER A 81 -7.917 -3.545 5.621 1.00 0.00 O ATOM 1232 CB SER A 81 -6.035 -0.865 6.064 1.00 0.00 C ATOM 1233 OG SER A 81 -4.646 -0.603 5.960 1.00 0.00 O ATOM 0 H SER A 81 -5.142 -3.240 5.365 1.00 0.00 H new ATOM 0 HA SER A 81 -6.206 -2.053 7.850 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.479 -0.888 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.521 -0.057 6.612 1.00 0.00 H new ATOM 0 HG SER A 81 -4.505 0.352 5.790 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.670 -2.112 7.188 1.00 0.00 N ATOM 1240 CA GLU A 82 -10.075 -2.475 7.034 1.00 0.00 C ATOM 1241 C GLU A 82 -10.523 -2.430 5.573 1.00 0.00 C ATOM 1242 O GLU A 82 -9.945 -1.720 4.743 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.949 -1.540 7.872 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.688 -1.643 9.366 1.00 0.00 C ATOM 1245 CD GLU A 82 -10.034 -0.396 9.931 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -10.435 0.718 9.531 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -9.124 -0.533 10.774 1.00 0.00 O ATOM 0 H GLU A 82 -8.501 -1.392 7.891 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.189 -3.501 7.383 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.779 -0.512 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.998 -1.765 7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.630 -1.821 9.884 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.049 -2.504 9.561 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.576 -3.187 5.237 1.00 0.00 N ATOM 1255 CA PRO A 83 -12.106 -3.222 3.880 1.00 0.00 C ATOM 1256 C PRO A 83 -12.483 -1.832 3.390 1.00 0.00 C ATOM 1257 O PRO A 83 -13.486 -1.260 3.817 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.355 -4.112 3.987 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.656 -4.195 5.446 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.337 -4.055 6.148 1.00 0.00 C ATOM 0 HA PRO A 83 -11.374 -3.599 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -14.192 -3.683 3.437 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -13.171 -5.101 3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.345 -3.406 5.748 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -14.131 -5.144 5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.449 -3.606 7.135 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.849 -5.020 6.290 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.669 -1.288 2.494 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.916 0.040 1.948 1.00 0.00 C ATOM 1270 C VAL A 84 -12.543 -0.058 0.564 1.00 0.00 C ATOM 1271 O VAL A 84 -11.883 -0.427 -0.404 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.614 0.860 1.835 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.897 2.234 1.250 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.925 0.985 3.181 1.00 0.00 C ATOM 0 H VAL A 84 -10.833 -1.746 2.130 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.597 0.543 2.635 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.941 0.328 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.967 2.797 1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.332 2.124 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.595 2.767 1.895 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.011 1.568 3.069 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.590 1.485 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.678 -0.008 3.557 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.827 0.275 0.485 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.549 0.222 -0.779 1.00 0.00 C ATOM 1286 C LYS A 85 -14.487 1.564 -1.499 1.00 0.00 C ATOM 1287 O LYS A 85 -15.058 2.554 -1.042 1.00 0.00 O ATOM 1288 CB LYS A 85 -16.009 -0.171 -0.529 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.897 -0.071 -1.762 1.00 0.00 C ATOM 1290 CD LYS A 85 -16.560 -1.142 -2.786 1.00 0.00 C ATOM 1291 CE LYS A 85 -17.807 -1.643 -3.496 1.00 0.00 C ATOM 1292 NZ LYS A 85 -17.484 -2.633 -4.559 1.00 0.00 N ATOM 0 H LYS A 85 -14.387 0.584 1.280 1.00 0.00 H new ATOM 0 HA LYS A 85 -14.076 -0.528 -1.413 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -16.040 -1.194 -0.153 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.418 0.468 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.942 -0.166 -1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -16.782 0.914 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -15.860 -0.740 -3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.061 -1.976 -2.292 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.480 -2.098 -2.769 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.337 -0.799 -3.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.281 -3.291 -4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -17.312 -2.136 -5.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -16.632 -3.166 -4.290 1.00 0.00 H new ATOM 1306 N SER A 86 -13.799 1.583 -2.634 1.00 0.00 N ATOM 1307 CA SER A 86 -13.672 2.797 -3.429 1.00 0.00 C ATOM 1308 C SER A 86 -14.465 2.667 -4.724 1.00 0.00 C ATOM 1309 O SER A 86 -15.217 1.709 -4.906 1.00 0.00 O ATOM 1310 CB SER A 86 -12.201 3.082 -3.737 1.00 0.00 C ATOM 1311 OG SER A 86 -11.349 2.426 -2.814 1.00 0.00 O ATOM 0 H SER A 86 -13.321 0.771 -3.024 1.00 0.00 H new ATOM 0 HA SER A 86 -14.075 3.631 -2.854 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.968 2.752 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.021 4.156 -3.702 1.00 0.00 H new ATOM 0 HG SER A 86 -11.449 1.456 -2.909 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.294 3.629 -5.621 1.00 0.00 N ATOM 1318 CA GLU A 87 -14.997 3.612 -6.899 1.00 0.00 C ATOM 1319 C GLU A 87 -14.694 2.334 -7.682 1.00 0.00 C ATOM 1320 O GLU A 87 -15.423 1.979 -8.609 1.00 0.00 O ATOM 1321 CB GLU A 87 -14.614 4.837 -7.731 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.120 5.122 -7.745 1.00 0.00 C ATOM 1323 CD GLU A 87 -12.755 6.356 -6.942 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.029 7.476 -7.419 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.195 6.200 -5.836 1.00 0.00 O ATOM 0 H GLU A 87 -13.676 4.430 -5.489 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.067 3.639 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -14.957 4.692 -8.755 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.138 5.709 -7.340 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.586 4.261 -7.344 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.788 5.252 -8.775 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.611 1.652 -7.313 1.00 0.00 N ATOM 1333 CA PHE A 88 -13.214 0.424 -7.990 1.00 0.00 C ATOM 1334 C PHE A 88 -13.773 -0.814 -7.288 1.00 0.00 C ATOM 1335 O PHE A 88 -14.182 -1.775 -7.939 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.688 0.337 -8.066 1.00 0.00 C ATOM 1337 CG PHE A 88 -11.107 1.027 -9.265 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -11.138 2.409 -9.368 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.527 0.297 -10.290 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.602 3.049 -10.469 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -9.991 0.931 -11.395 1.00 0.00 C ATOM 1342 CZ PHE A 88 -10.029 2.308 -11.484 1.00 0.00 C ATOM 0 H PHE A 88 -12.995 1.931 -6.549 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.628 0.452 -8.998 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.262 0.775 -7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.392 -0.712 -8.082 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -11.587 2.993 -8.578 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.493 -0.780 -10.225 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.631 4.127 -10.536 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.543 0.350 -12.188 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.611 2.806 -12.347 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.784 -0.792 -5.956 1.00 0.00 N ATOM 1353 CA GLY A 89 -14.290 -1.929 -5.201 1.00 0.00 C ATOM 1354 C GLY A 89 -13.701 -2.021 -3.816 1.00 0.00 C ATOM 1355 O GLY A 89 -13.091 -1.073 -3.323 1.00 0.00 O ATOM 0 H GLY A 89 -13.454 -0.012 -5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -15.375 -1.855 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.071 -2.847 -5.746 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.892 -3.170 -3.184 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.390 -3.396 -1.849 1.00 0.00 C ATOM 1361 C TYR A 90 -11.881 -3.616 -1.885 1.00 0.00 C ATOM 1362 O TYR A 90 -11.401 -4.706 -2.194 1.00 0.00 O ATOM 1363 CB TYR A 90 -14.118 -4.593 -1.250 1.00 0.00 C ATOM 1364 CG TYR A 90 -15.624 -4.467 -1.316 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.306 -3.626 -0.445 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -16.361 -5.179 -2.251 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.681 -3.500 -0.507 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -17.737 -5.060 -2.317 1.00 0.00 C ATOM 1369 CZ TYR A 90 -18.392 -4.219 -1.443 1.00 0.00 C ATOM 1370 OH TYR A 90 -19.761 -4.096 -1.506 1.00 0.00 O ATOM 0 H TYR A 90 -14.396 -3.962 -3.584 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.575 -2.523 -1.223 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -13.812 -5.497 -1.776 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.815 -4.711 -0.210 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -15.753 -3.062 0.292 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -15.851 -5.837 -2.939 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.196 -2.840 0.176 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -18.296 -5.623 -3.050 1.00 0.00 H new ATOM 0 HH TYR A 90 -20.108 -4.669 -2.221 1.00 0.00 H new ATOM 1380 N HIS A 91 -11.144 -2.547 -1.595 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.686 -2.572 -1.621 1.00 0.00 C ATOM 1382 C HIS A 91 -9.084 -3.044 -0.299 1.00 0.00 C ATOM 1383 O HIS A 91 -9.776 -3.167 0.712 1.00 0.00 O ATOM 1384 CB HIS A 91 -9.158 -1.175 -1.949 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.573 -0.677 -3.298 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.754 -0.001 -3.519 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.954 -0.753 -4.500 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.844 0.315 -4.798 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.764 -0.128 -5.416 1.00 0.00 N ATOM 0 H HIS A 91 -11.539 -1.643 -1.336 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.387 -3.286 -2.389 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.509 -0.476 -1.190 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -8.069 -1.185 -1.894 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.000 -1.219 -4.701 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.663 0.846 -5.261 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.564 -0.023 -6.411 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.776 -3.288 -0.330 1.00 0.00 N ATOM 1399 CA VAL A 92 -7.028 -3.731 0.841 1.00 0.00 C ATOM 1400 C VAL A 92 -5.617 -3.148 0.806 1.00 0.00 C ATOM 1401 O VAL A 92 -5.059 -2.938 -0.271 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.941 -5.267 0.913 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.291 -5.708 2.214 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.322 -5.887 0.760 1.00 0.00 C ATOM 0 H VAL A 92 -7.206 -3.184 -1.169 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.559 -3.377 1.725 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.318 -5.615 0.089 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.239 -6.796 2.244 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.284 -5.295 2.276 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.883 -5.349 3.056 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.241 -6.973 0.813 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.971 -5.532 1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.744 -5.601 -0.203 1.00 0.00 H new ATOM 1414 N ILE A 93 -5.047 -2.867 1.974 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.705 -2.287 2.037 1.00 0.00 C ATOM 1416 C ILE A 93 -2.828 -2.972 3.082 1.00 0.00 C ATOM 1417 O ILE A 93 -3.169 -3.014 4.263 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.751 -0.769 2.345 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -5.188 -0.239 2.274 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.849 -0.002 1.385 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -5.294 1.260 2.464 1.00 0.00 C ATOM 0 H ILE A 93 -5.485 -3.028 2.881 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.268 -2.445 1.051 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.385 -0.617 3.360 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.617 -0.505 1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.787 -0.736 3.037 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.894 1.062 1.616 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.823 -0.354 1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.185 -0.166 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -6.340 1.562 2.401 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.896 1.532 3.442 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.723 1.767 1.686 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.684 -3.484 2.635 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.730 -4.146 3.521 1.00 0.00 C ATOM 1435 C LYS A 94 0.659 -3.543 3.330 1.00 0.00 C ATOM 1436 O LYS A 94 1.277 -3.706 2.279 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.697 -5.652 3.248 1.00 0.00 C ATOM 1438 CG LYS A 94 -0.241 -6.473 4.444 1.00 0.00 C ATOM 1439 CD LYS A 94 1.205 -6.179 4.807 1.00 0.00 C ATOM 1440 CE LYS A 94 1.853 -7.357 5.515 1.00 0.00 C ATOM 1441 NZ LYS A 94 1.437 -7.445 6.942 1.00 0.00 N ATOM 0 H LYS A 94 -1.394 -3.453 1.658 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.046 -3.992 4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.692 -5.981 2.949 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.031 -5.847 2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.882 -6.258 5.299 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.352 -7.534 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.767 -5.942 3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.248 -5.299 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.586 -8.281 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.937 -7.263 5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.819 -8.317 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.802 -6.622 7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.399 -7.458 7.001 1.00 0.00 H new ATOM 1455 N ARG A 95 1.128 -2.811 4.338 1.00 0.00 N ATOM 1456 CA ARG A 95 2.423 -2.144 4.267 1.00 0.00 C ATOM 1457 C ARG A 95 3.553 -3.127 3.996 1.00 0.00 C ATOM 1458 O ARG A 95 3.664 -4.171 4.640 1.00 0.00 O ATOM 1459 CB ARG A 95 2.696 -1.377 5.562 1.00 0.00 C ATOM 1460 CG ARG A 95 2.888 0.117 5.353 1.00 0.00 C ATOM 1461 CD ARG A 95 4.052 0.651 6.177 1.00 0.00 C ATOM 1462 NE ARG A 95 5.326 0.072 5.761 1.00 0.00 N ATOM 1463 CZ ARG A 95 6.475 0.266 6.407 1.00 0.00 C ATOM 1464 NH1 ARG A 95 6.512 1.023 7.497 1.00 0.00 N ATOM 1465 NH2 ARG A 95 7.589 -0.297 5.961 1.00 0.00 N ATOM 0 H ARG A 95 0.628 -2.665 5.215 1.00 0.00 H new ATOM 0 HA ARG A 95 2.385 -1.444 3.432 1.00 0.00 H new ATOM 0 HB2 ARG A 95 1.866 -1.536 6.251 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.587 -1.787 6.037 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.066 0.318 4.297 1.00 0.00 H new ATOM 0 HG3 ARG A 95 1.974 0.644 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 95 4.098 1.736 6.080 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.881 0.432 7.231 1.00 0.00 H new ATOM 0 HE ARG A 95 5.337 -0.515 4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.658 1.460 7.844 1.00 0.00 H new ATOM 0 HH12 ARG A 95 7.394 1.168 7.988 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.567 -0.879 5.123 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.469 -0.149 6.455 1.00 0.00 H new ATOM 1479 N LEU A 96 4.388 -2.769 3.028 1.00 0.00 N ATOM 1480 CA LEU A 96 5.515 -3.574 2.636 1.00 0.00 C ATOM 1481 C LEU A 96 6.549 -2.710 1.918 1.00 0.00 C ATOM 1482 O LEU A 96 6.284 -2.145 0.858 1.00 0.00 O ATOM 1483 CB LEU A 96 5.043 -4.719 1.734 1.00 0.00 C ATOM 1484 CG LEU A 96 5.219 -4.506 0.226 1.00 0.00 C ATOM 1485 CD1 LEU A 96 6.661 -4.777 -0.186 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.258 -5.391 -0.554 1.00 0.00 C ATOM 0 H LEU A 96 4.293 -1.904 2.496 1.00 0.00 H new ATOM 0 HA LEU A 96 5.982 -4.000 3.524 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.581 -5.623 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.987 -4.900 1.934 1.00 0.00 H new ATOM 0 HG LEU A 96 4.988 -3.466 -0.006 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.768 -4.621 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.326 -4.097 0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.922 -5.807 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.397 -5.226 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.455 -6.437 -0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.232 -5.145 -0.280 1.00 0.00 H new ATOM 1498 N GLY A 97 7.721 -2.609 2.509 1.00 0.00 N ATOM 1499 CA GLY A 97 8.782 -1.818 1.918 1.00 0.00 C ATOM 1500 C GLY A 97 10.156 -2.226 2.414 1.00 0.00 C ATOM 1501 O GLY A 97 10.254 -2.710 3.561 1.00 0.00 O ATOM 1502 OXT GLY A 97 11.133 -2.061 1.654 1.00 0.00 O ATOM 0 H GLY A 97 7.963 -3.060 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.746 -1.920 0.833 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.615 -0.765 2.145 1.00 0.00 H new