USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 678 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -117:sc= 0.539 (180deg=-1.47!) USER MOD Single : A 20 GLN : amide:sc= -0.285 K(o=-0.28,f=-1.7!) USER MOD Single : A 25 TYR OH : rot -146:sc= -1.78! USER MOD Single : A 27 MET CE :methyl -123:sc= -9.97! (180deg=-13.7!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 43:sc= 0.0815 USER MOD Single : A 45 HIS :FLIP no HD1:sc= -13.6! C(o=-17!,f=-14!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot -80:sc= -4.76! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 60:sc= -2.36! USER MOD Single : A 53 GLN : amide:sc= -7.49! C(o=-7.5!,f=-13!) USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= -0.0589 (180deg=-0.834) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0113 F(o=-0.75,f=-0.011) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS :FLIP no HE2:sc= -2.48! C(o=-5.2!,f=-2.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0218 USER MOD Single : A 75 THR OG1 : rot -147:sc= -0.541 USER MOD Single : A 76 ASN : amide:sc= -4.86! C(o=-4.9!,f=-9.3!) USER MOD Single : A 78 HIS : no HE2:sc= -12.5! C(o=-13!,f=-14!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0.835 (180deg=0.804) USER MOD Single : A 97 GLN :FLIP amide:sc= -17.2! C(o=-23!,f=-17!) USER MOD Single : A 98 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.0065) USER MOD Single : A 102 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0455) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -7.740 -8.708 -6.892 1.00 0.00 N ATOM 97 CA VAL A 8 -6.645 -7.956 -6.308 1.00 0.00 C ATOM 98 C VAL A 8 -6.098 -6.979 -7.352 1.00 0.00 C ATOM 99 O VAL A 8 -6.274 -7.159 -8.541 1.00 0.00 O ATOM 100 CB VAL A 8 -5.539 -8.923 -5.861 1.00 0.00 C ATOM 101 CG1 VAL A 8 -6.173 -10.176 -5.257 1.00 0.00 C ATOM 102 CG2 VAL A 8 -4.675 -9.328 -7.062 1.00 0.00 C ATOM 0 HA VAL A 8 -6.998 -7.399 -5.440 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.914 -8.427 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.389 -10.863 -4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.782 -9.897 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.801 -10.662 -6.004 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.894 -10.014 -6.734 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.298 -9.819 -7.809 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.218 -8.439 -7.498 1.00 0.00 H new ATOM 112 N LEU A 9 -5.498 -5.910 -6.906 1.00 0.00 N ATOM 113 CA LEU A 9 -5.025 -4.907 -7.845 1.00 0.00 C ATOM 114 C LEU A 9 -3.518 -5.034 -8.136 1.00 0.00 C ATOM 115 O LEU A 9 -3.136 -5.112 -9.287 1.00 0.00 O ATOM 116 CB LEU A 9 -5.320 -3.514 -7.279 1.00 0.00 C ATOM 117 CG LEU A 9 -4.594 -2.455 -8.110 1.00 0.00 C ATOM 118 CD1 LEU A 9 -4.902 -2.672 -9.593 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.071 -1.064 -7.689 1.00 0.00 C ATOM 0 H LEU A 9 -5.323 -5.705 -5.922 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.550 -5.063 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.394 -3.326 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.998 -3.458 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.519 -2.537 -7.946 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.385 -1.918 -10.186 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.564 -3.664 -9.893 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.976 -2.589 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.555 -0.308 -8.280 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.145 -0.982 -7.854 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.853 -0.909 -6.632 1.00 0.00 H new ATOM 131 N LEU A 10 -2.639 -5.040 -7.161 1.00 0.00 N ATOM 132 CA LEU A 10 -1.232 -5.141 -7.534 1.00 0.00 C ATOM 133 C LEU A 10 -0.370 -5.673 -6.392 1.00 0.00 C ATOM 134 O LEU A 10 -0.761 -5.687 -5.242 1.00 0.00 O ATOM 135 CB LEU A 10 -0.712 -3.764 -7.942 1.00 0.00 C ATOM 136 CG LEU A 10 -0.232 -3.807 -9.394 1.00 0.00 C ATOM 137 CD1 LEU A 10 -1.174 -2.979 -10.270 1.00 0.00 C ATOM 138 CD2 LEU A 10 1.181 -3.227 -9.479 1.00 0.00 C ATOM 0 H LEU A 10 -2.843 -4.981 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.165 -5.843 -8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.500 -3.019 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.106 -3.464 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.226 -4.839 -9.743 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.831 -3.010 -11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.182 -3.389 -10.209 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.181 -1.946 -9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.525 -3.257 -10.513 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.172 -2.195 -9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.854 -3.816 -8.856 1.00 0.00 H new ATOM 150 N ILE A 11 0.817 -6.108 -6.726 1.00 0.00 N ATOM 151 CA ILE A 11 1.725 -6.631 -5.723 1.00 0.00 C ATOM 152 C ILE A 11 3.159 -6.174 -6.011 1.00 0.00 C ATOM 153 O ILE A 11 3.596 -6.123 -7.143 1.00 0.00 O ATOM 154 CB ILE A 11 1.694 -8.158 -5.751 1.00 0.00 C ATOM 155 CG1 ILE A 11 2.759 -8.709 -4.782 1.00 0.00 C ATOM 156 CG2 ILE A 11 1.976 -8.641 -7.178 1.00 0.00 C ATOM 157 CD1 ILE A 11 3.180 -10.121 -5.199 1.00 0.00 C ATOM 0 H ILE A 11 1.182 -6.113 -7.678 1.00 0.00 H new ATOM 0 HA ILE A 11 1.410 -6.261 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 11 0.713 -8.517 -5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.628 -8.051 -4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.362 -8.726 -3.767 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.955 -9.730 -7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 11 1.216 -8.247 -7.852 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.958 -8.289 -7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.932 -10.496 -4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.311 -10.779 -5.183 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.596 -10.094 -6.206 1.00 0.00 H new ATOM 169 N VAL A 12 3.901 -5.890 -4.980 1.00 0.00 N ATOM 170 CA VAL A 12 5.290 -5.499 -5.150 1.00 0.00 C ATOM 171 C VAL A 12 6.129 -6.474 -4.324 1.00 0.00 C ATOM 172 O VAL A 12 5.821 -6.741 -3.179 1.00 0.00 O ATOM 173 CB VAL A 12 5.497 -4.062 -4.678 1.00 0.00 C ATOM 174 CG1 VAL A 12 5.135 -3.113 -5.819 1.00 0.00 C ATOM 175 CG2 VAL A 12 4.595 -3.774 -3.478 1.00 0.00 C ATOM 0 H VAL A 12 3.579 -5.918 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 12 5.585 -5.536 -6.199 1.00 0.00 H new ATOM 0 HB VAL A 12 6.537 -3.920 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.279 -2.082 -5.494 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.775 -3.316 -6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.093 -3.263 -6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.748 -2.747 -3.146 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.553 -3.911 -3.765 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.841 -4.458 -2.666 1.00 0.00 H new ATOM 185 N LYS A 13 7.134 -7.073 -4.907 1.00 0.00 N ATOM 186 CA LYS A 13 7.886 -8.076 -4.168 1.00 0.00 C ATOM 187 C LYS A 13 8.519 -7.545 -2.902 1.00 0.00 C ATOM 188 O LYS A 13 8.059 -7.853 -1.844 1.00 0.00 O ATOM 189 CB LYS A 13 8.972 -8.680 -5.062 1.00 0.00 C ATOM 190 CG LYS A 13 9.524 -7.608 -6.006 1.00 0.00 C ATOM 191 CD LYS A 13 10.963 -7.956 -6.392 1.00 0.00 C ATOM 192 CE LYS A 13 11.122 -7.852 -7.910 1.00 0.00 C ATOM 193 NZ LYS A 13 11.586 -9.160 -8.452 1.00 0.00 N ATOM 0 H LYS A 13 7.451 -6.898 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 13 7.166 -8.837 -3.868 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.776 -9.086 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 13 8.561 -9.509 -5.639 1.00 0.00 H new ATOM 0 HG2 LYS A 13 8.903 -7.541 -6.899 1.00 0.00 H new ATOM 0 HG3 LYS A 13 9.492 -6.632 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.658 -7.279 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.207 -8.965 -6.058 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.173 -7.573 -8.367 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.838 -7.069 -8.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.694 -9.089 -9.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.501 -9.408 -8.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.887 -9.897 -8.227 1.00 0.00 H new ATOM 207 N LYS A 14 9.635 -6.904 -2.932 1.00 0.00 N ATOM 208 CA LYS A 14 10.225 -6.576 -1.649 1.00 0.00 C ATOM 209 C LYS A 14 10.187 -5.097 -1.279 1.00 0.00 C ATOM 210 O LYS A 14 10.896 -4.278 -1.830 1.00 0.00 O ATOM 211 CB LYS A 14 11.686 -7.021 -1.657 1.00 0.00 C ATOM 212 CG LYS A 14 11.829 -8.334 -0.882 1.00 0.00 C ATOM 213 CD LYS A 14 11.214 -8.183 0.512 1.00 0.00 C ATOM 214 CE LYS A 14 12.081 -8.915 1.537 1.00 0.00 C ATOM 215 NZ LYS A 14 11.803 -10.377 1.469 1.00 0.00 N ATOM 0 H LYS A 14 10.144 -6.605 -3.764 1.00 0.00 H new ATOM 0 HA LYS A 14 9.622 -7.096 -0.905 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.030 -7.153 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.313 -6.251 -1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.335 -9.141 -1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.882 -8.604 -0.798 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.136 -7.128 0.774 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.202 -8.589 0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.136 -8.725 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.872 -8.541 2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.393 -10.875 2.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.799 -10.550 1.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.023 -10.728 0.515 1.00 0.00 H new ATOM 229 N VAL A 15 9.297 -4.752 -0.392 1.00 0.00 N ATOM 230 CA VAL A 15 9.071 -3.388 0.015 1.00 0.00 C ATOM 231 C VAL A 15 9.674 -3.269 1.403 1.00 0.00 C ATOM 232 O VAL A 15 10.007 -4.257 2.026 1.00 0.00 O ATOM 233 CB VAL A 15 7.557 -3.131 0.078 1.00 0.00 C ATOM 234 CG1 VAL A 15 7.267 -1.726 0.611 1.00 0.00 C ATOM 235 CG2 VAL A 15 6.960 -3.260 -1.318 1.00 0.00 C ATOM 0 H VAL A 15 8.693 -5.424 0.081 1.00 0.00 H new ATOM 0 HA VAL A 15 9.513 -2.669 -0.675 1.00 0.00 H new ATOM 0 HB VAL A 15 7.112 -3.865 0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.189 -1.566 0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.683 -1.624 1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.722 -0.986 -0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.886 -3.078 -1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.424 -2.530 -1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.142 -4.265 -1.700 1.00 0.00 H new ATOM 245 N ARG A 16 9.848 -2.086 1.887 1.00 0.00 N ATOM 246 CA ARG A 16 10.437 -1.885 3.178 1.00 0.00 C ATOM 247 C ARG A 16 9.430 -1.164 4.048 1.00 0.00 C ATOM 248 O ARG A 16 8.792 -0.220 3.626 1.00 0.00 O ATOM 249 CB ARG A 16 11.643 -0.960 2.979 1.00 0.00 C ATOM 250 CG ARG A 16 12.143 -0.441 4.330 1.00 0.00 C ATOM 251 CD ARG A 16 13.355 -1.258 4.816 1.00 0.00 C ATOM 252 NE ARG A 16 13.507 -2.495 4.061 1.00 0.00 N ATOM 253 CZ ARG A 16 14.670 -3.097 4.027 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.678 -2.626 4.712 1.00 0.00 N ATOM 255 NH2 ARG A 16 14.823 -4.178 3.314 1.00 0.00 N ATOM 0 H ARG A 16 9.588 -1.227 1.403 1.00 0.00 H new ATOM 0 HA ARG A 16 10.728 -2.830 3.636 1.00 0.00 H new ATOM 0 HB2 ARG A 16 12.443 -1.498 2.470 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.366 -0.122 2.340 1.00 0.00 H new ATOM 0 HG2 ARG A 16 12.419 0.610 4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.341 -0.499 5.066 1.00 0.00 H new ATOM 0 HD2 ARG A 16 14.260 -0.659 4.719 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.237 -1.490 5.875 1.00 0.00 H new ATOM 0 HE ARG A 16 12.711 -2.891 3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.562 -1.785 5.277 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.581 -3.099 4.681 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.037 -4.554 2.783 1.00 0.00 H new ATOM 0 HH22 ARG A 16 15.728 -4.647 3.287 1.00 0.00 H new ATOM 269 N GLN A 17 9.303 -1.566 5.266 1.00 0.00 N ATOM 270 CA GLN A 17 8.390 -0.879 6.127 1.00 0.00 C ATOM 271 C GLN A 17 9.024 -0.803 7.513 1.00 0.00 C ATOM 272 O GLN A 17 9.850 -1.617 7.872 1.00 0.00 O ATOM 273 CB GLN A 17 7.035 -1.600 6.139 1.00 0.00 C ATOM 274 CG GLN A 17 7.063 -2.778 7.097 1.00 0.00 C ATOM 275 CD GLN A 17 5.881 -3.701 6.806 1.00 0.00 C ATOM 276 OE1 GLN A 17 5.830 -4.327 5.770 1.00 0.00 O ATOM 277 NE2 GLN A 17 4.922 -3.811 7.685 1.00 0.00 N ATOM 0 H GLN A 17 9.805 -2.348 5.686 1.00 0.00 H new ATOM 0 HA GLN A 17 8.198 0.134 5.773 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.250 -0.904 6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.793 -1.947 5.134 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.000 -3.325 6.990 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.016 -2.424 8.127 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.966 -3.283 8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.128 -4.425 7.500 1.00 0.00 H new ATOM 286 N LYS A 18 8.729 0.243 8.226 1.00 0.00 N ATOM 287 CA LYS A 18 9.371 0.483 9.514 1.00 0.00 C ATOM 288 C LYS A 18 9.615 -0.823 10.298 1.00 0.00 C ATOM 289 O LYS A 18 10.451 -0.855 11.179 1.00 0.00 O ATOM 290 CB LYS A 18 8.484 1.409 10.348 1.00 0.00 C ATOM 291 CG LYS A 18 9.005 2.844 10.244 1.00 0.00 C ATOM 292 CD LYS A 18 8.215 3.599 9.173 1.00 0.00 C ATOM 293 CE LYS A 18 9.075 4.730 8.608 1.00 0.00 C ATOM 294 NZ LYS A 18 8.632 6.029 9.189 1.00 0.00 N ATOM 0 H LYS A 18 8.050 0.952 7.950 1.00 0.00 H new ATOM 0 HA LYS A 18 10.342 0.940 9.322 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.454 1.358 9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.481 1.086 11.389 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.907 3.348 11.206 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.066 2.840 9.993 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.921 2.918 8.375 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.298 4.004 9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.125 4.554 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.990 4.758 7.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.217 6.799 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 7.635 6.197 8.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.735 6.000 10.224 1.00 0.00 H new ATOM 308 N LYS A 19 8.934 -1.897 10.002 1.00 0.00 N ATOM 309 CA LYS A 19 9.191 -3.120 10.738 1.00 0.00 C ATOM 310 C LYS A 19 10.071 -4.099 9.918 1.00 0.00 C ATOM 311 O LYS A 19 11.035 -4.650 10.411 1.00 0.00 O ATOM 312 CB LYS A 19 7.838 -3.802 11.094 1.00 0.00 C ATOM 313 CG LYS A 19 7.269 -4.583 9.885 1.00 0.00 C ATOM 314 CD LYS A 19 5.901 -5.183 10.200 1.00 0.00 C ATOM 315 CE LYS A 19 6.034 -6.231 11.306 1.00 0.00 C ATOM 316 NZ LYS A 19 6.364 -7.552 10.701 1.00 0.00 N ATOM 0 H LYS A 19 8.216 -1.959 9.280 1.00 0.00 H new ATOM 0 HA LYS A 19 9.732 -2.865 11.649 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.980 -4.481 11.935 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.120 -3.047 11.413 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.186 -3.917 9.026 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.961 -5.378 9.606 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.213 -4.397 10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.479 -5.639 9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.813 -5.936 12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.104 -6.300 11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.595 -8.225 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.477 -7.444 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.250 -7.910 11.111 1.00 0.00 H new ATOM 330 N GLN A 20 9.654 -4.403 8.725 1.00 0.00 N ATOM 331 CA GLN A 20 10.316 -5.410 7.930 1.00 0.00 C ATOM 332 C GLN A 20 10.160 -5.131 6.455 1.00 0.00 C ATOM 333 O GLN A 20 9.358 -4.328 6.037 1.00 0.00 O ATOM 334 CB GLN A 20 9.740 -6.790 8.232 1.00 0.00 C ATOM 335 CG GLN A 20 10.843 -7.664 8.813 1.00 0.00 C ATOM 336 CD GLN A 20 11.228 -8.745 7.801 1.00 0.00 C ATOM 337 OE1 GLN A 20 10.400 -9.204 7.039 1.00 0.00 O ATOM 338 NE2 GLN A 20 12.460 -9.174 7.760 1.00 0.00 N ATOM 0 H GLN A 20 8.851 -3.967 8.272 1.00 0.00 H new ATOM 0 HA GLN A 20 11.375 -5.385 8.188 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.913 -6.708 8.937 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.341 -7.240 7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.713 -7.054 9.058 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.505 -8.125 9.741 1.00 0.00 H new ATOM 0 HE21 GLN A 20 13.156 -8.789 8.399 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.727 -9.894 7.089 1.00 0.00 H new ATOM 347 N ASP A 21 10.882 -5.824 5.649 1.00 0.00 N ATOM 348 CA ASP A 21 10.717 -5.630 4.246 1.00 0.00 C ATOM 349 C ASP A 21 9.958 -6.883 3.852 1.00 0.00 C ATOM 350 O ASP A 21 10.234 -7.977 4.303 1.00 0.00 O ATOM 351 CB ASP A 21 12.066 -5.572 3.511 1.00 0.00 C ATOM 352 CG ASP A 21 13.208 -5.949 4.462 1.00 0.00 C ATOM 353 OD1 ASP A 21 13.358 -5.280 5.471 1.00 0.00 O ATOM 354 OD2 ASP A 21 13.911 -6.901 4.164 1.00 0.00 O ATOM 0 H ASP A 21 11.579 -6.516 5.924 1.00 0.00 H new ATOM 0 HA ASP A 21 10.218 -4.694 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.053 -6.253 2.660 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.229 -4.570 3.115 1.00 0.00 H new ATOM 359 N GLY A 22 8.947 -6.694 3.074 1.00 0.00 N ATOM 360 CA GLY A 22 8.079 -7.774 2.690 1.00 0.00 C ATOM 361 C GLY A 22 7.328 -7.319 1.447 1.00 0.00 C ATOM 362 O GLY A 22 7.381 -6.156 1.097 1.00 0.00 O ATOM 0 H GLY A 22 8.692 -5.788 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.654 -8.677 2.484 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.384 -8.015 3.494 1.00 0.00 H new ATOM 366 N ALA A 23 6.680 -8.181 0.730 1.00 0.00 N ATOM 367 CA ALA A 23 6.037 -7.730 -0.475 1.00 0.00 C ATOM 368 C ALA A 23 4.700 -7.134 -0.111 1.00 0.00 C ATOM 369 O ALA A 23 4.059 -7.502 0.852 1.00 0.00 O ATOM 370 CB ALA A 23 5.802 -8.933 -1.395 1.00 0.00 C ATOM 0 H ALA A 23 6.580 -9.173 0.943 1.00 0.00 H new ATOM 0 HA ALA A 23 6.660 -6.991 -0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.315 -8.600 -2.312 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.758 -9.396 -1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.166 -9.659 -0.889 1.00 0.00 H new ATOM 376 N LEU A 24 4.333 -6.148 -0.858 1.00 0.00 N ATOM 377 CA LEU A 24 3.129 -5.426 -0.577 1.00 0.00 C ATOM 378 C LEU A 24 2.091 -5.771 -1.644 1.00 0.00 C ATOM 379 O LEU A 24 2.309 -5.616 -2.829 1.00 0.00 O ATOM 380 CB LEU A 24 3.464 -3.925 -0.610 1.00 0.00 C ATOM 381 CG LEU A 24 3.250 -3.312 0.762 1.00 0.00 C ATOM 382 CD1 LEU A 24 3.309 -1.790 0.622 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.882 -3.724 1.309 1.00 0.00 C ATOM 0 H LEU A 24 4.850 -5.819 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 24 2.724 -5.688 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.498 -3.782 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.836 -3.420 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 24 4.021 -3.659 1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.157 -1.329 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.283 -1.498 0.230 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.528 -1.457 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.735 -3.280 2.294 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.100 -3.376 0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.834 -4.810 1.389 1.00 0.00 H new ATOM 395 N TYR A 25 0.961 -6.246 -1.206 1.00 0.00 N ATOM 396 CA TYR A 25 -0.109 -6.619 -2.108 1.00 0.00 C ATOM 397 C TYR A 25 -1.219 -5.605 -1.929 1.00 0.00 C ATOM 398 O TYR A 25 -1.537 -5.253 -0.813 1.00 0.00 O ATOM 399 CB TYR A 25 -0.672 -7.973 -1.671 1.00 0.00 C ATOM 400 CG TYR A 25 -0.089 -9.098 -2.477 1.00 0.00 C ATOM 401 CD1 TYR A 25 1.110 -9.695 -2.079 1.00 0.00 C ATOM 402 CD2 TYR A 25 -0.769 -9.568 -3.602 1.00 0.00 C ATOM 403 CE1 TYR A 25 1.633 -10.764 -2.808 1.00 0.00 C ATOM 404 CE2 TYR A 25 -0.246 -10.636 -4.338 1.00 0.00 C ATOM 405 CZ TYR A 25 0.955 -11.237 -3.940 1.00 0.00 C ATOM 406 OH TYR A 25 1.472 -12.293 -4.663 1.00 0.00 O ATOM 0 H TYR A 25 0.748 -6.388 -0.219 1.00 0.00 H new ATOM 0 HA TYR A 25 0.253 -6.661 -3.135 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.459 -8.133 -0.614 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.756 -7.970 -1.780 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.632 -9.329 -1.207 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.698 -9.107 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.559 -11.226 -2.500 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.767 -10.997 -5.212 1.00 0.00 H new ATOM 0 HH TYR A 25 1.265 -12.171 -5.613 1.00 0.00 H new ATOM 416 N LEU A 26 -1.845 -5.118 -2.957 1.00 0.00 N ATOM 417 CA LEU A 26 -2.905 -4.173 -2.726 1.00 0.00 C ATOM 418 C LEU A 26 -4.190 -4.783 -3.284 1.00 0.00 C ATOM 419 O LEU A 26 -4.202 -5.316 -4.385 1.00 0.00 O ATOM 420 CB LEU A 26 -2.582 -2.862 -3.448 1.00 0.00 C ATOM 421 CG LEU A 26 -3.849 -2.021 -3.599 1.00 0.00 C ATOM 422 CD1 LEU A 26 -4.318 -1.548 -2.222 1.00 0.00 C ATOM 423 CD2 LEU A 26 -3.544 -0.808 -4.479 1.00 0.00 C ATOM 0 H LEU A 26 -1.654 -5.346 -3.933 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.019 -3.960 -1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.831 -2.305 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.157 -3.073 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.634 -2.621 -4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.222 -0.948 -2.332 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.530 -2.413 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.537 -0.945 -1.759 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.444 -0.204 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.760 -0.209 -4.014 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.209 -1.145 -5.460 1.00 0.00 H new ATOM 435 N MET A 27 -5.267 -4.683 -2.549 1.00 0.00 N ATOM 436 CA MET A 27 -6.532 -5.217 -3.005 1.00 0.00 C ATOM 437 C MET A 27 -7.514 -4.058 -3.096 1.00 0.00 C ATOM 438 O MET A 27 -7.345 -3.049 -2.439 1.00 0.00 O ATOM 439 CB MET A 27 -7.047 -6.249 -1.997 1.00 0.00 C ATOM 440 CG MET A 27 -8.501 -6.621 -2.314 1.00 0.00 C ATOM 441 SD MET A 27 -8.753 -8.387 -1.995 1.00 0.00 S ATOM 442 CE MET A 27 -7.406 -9.006 -3.030 1.00 0.00 C ATOM 0 H MET A 27 -5.298 -4.238 -1.632 1.00 0.00 H new ATOM 0 HA MET A 27 -6.418 -5.702 -3.975 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.421 -7.141 -2.027 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.979 -5.846 -0.986 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.181 -6.029 -1.702 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.728 -6.392 -3.355 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.805 -9.700 -3.770 1.00 0.00 H new ATOM 0 HE2 MET A 27 -6.925 -8.171 -3.539 1.00 0.00 H new ATOM 0 HE3 MET A 27 -6.675 -9.521 -2.406 1.00 0.00 H new ATOM 452 N ALA A 28 -8.522 -4.182 -3.911 1.00 0.00 N ATOM 453 CA ALA A 28 -9.478 -3.107 -4.062 1.00 0.00 C ATOM 454 C ALA A 28 -9.746 -2.412 -2.724 1.00 0.00 C ATOM 455 O ALA A 28 -9.634 -1.206 -2.630 1.00 0.00 O ATOM 456 CB ALA A 28 -10.788 -3.668 -4.616 1.00 0.00 C ATOM 0 H ALA A 28 -8.708 -5.008 -4.480 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.063 -2.372 -4.752 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.510 -2.860 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.604 -4.131 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.185 -4.414 -3.927 1.00 0.00 H new ATOM 462 N GLU A 29 -10.149 -3.117 -1.698 1.00 0.00 N ATOM 463 CA GLU A 29 -10.460 -2.448 -0.450 1.00 0.00 C ATOM 464 C GLU A 29 -9.409 -2.718 0.639 1.00 0.00 C ATOM 465 O GLU A 29 -9.620 -2.386 1.782 1.00 0.00 O ATOM 466 CB GLU A 29 -11.796 -3.007 0.023 1.00 0.00 C ATOM 467 CG GLU A 29 -12.146 -2.483 1.422 1.00 0.00 C ATOM 468 CD GLU A 29 -13.589 -1.974 1.427 1.00 0.00 C ATOM 469 OE1 GLU A 29 -13.916 -1.175 0.565 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.341 -2.393 2.291 1.00 0.00 O ATOM 0 H GLU A 29 -10.269 -4.130 -1.694 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.483 -1.371 -0.619 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.581 -2.728 -0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.754 -4.096 0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -12.026 -3.276 2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -11.464 -1.680 1.703 1.00 0.00 H new ATOM 477 N ARG A 30 -8.291 -3.314 0.346 1.00 0.00 N ATOM 478 CA ARG A 30 -7.353 -3.537 1.441 1.00 0.00 C ATOM 479 C ARG A 30 -5.914 -3.672 0.965 1.00 0.00 C ATOM 480 O ARG A 30 -5.630 -3.853 -0.199 1.00 0.00 O ATOM 481 CB ARG A 30 -7.755 -4.777 2.252 1.00 0.00 C ATOM 482 CG ARG A 30 -7.128 -6.050 1.687 1.00 0.00 C ATOM 483 CD ARG A 30 -8.230 -7.082 1.467 1.00 0.00 C ATOM 484 NE ARG A 30 -9.272 -6.470 0.661 1.00 0.00 N ATOM 485 CZ ARG A 30 -10.278 -7.180 0.225 1.00 0.00 C ATOM 486 NH1 ARG A 30 -10.372 -8.445 0.537 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.192 -6.625 -0.524 1.00 0.00 N ATOM 0 H ARG A 30 -8.004 -3.642 -0.576 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.402 -2.653 2.077 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.446 -4.649 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.841 -4.875 2.252 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.618 -5.835 0.748 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -6.378 -6.439 2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -7.830 -7.964 0.966 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -8.635 -7.415 2.423 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.218 -5.477 0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.659 -8.880 1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.158 -8.997 0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.120 -5.637 -0.769 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.978 -7.179 -0.865 1.00 0.00 H new ATOM 501 N ILE A 31 -5.009 -3.579 1.895 1.00 0.00 N ATOM 502 CA ILE A 31 -3.601 -3.692 1.571 1.00 0.00 C ATOM 503 C ILE A 31 -3.030 -4.941 2.262 1.00 0.00 C ATOM 504 O ILE A 31 -3.156 -5.111 3.458 1.00 0.00 O ATOM 505 CB ILE A 31 -2.877 -2.405 2.026 1.00 0.00 C ATOM 506 CG1 ILE A 31 -2.624 -1.529 0.801 1.00 0.00 C ATOM 507 CG2 ILE A 31 -1.527 -2.722 2.688 1.00 0.00 C ATOM 508 CD1 ILE A 31 -1.587 -2.200 -0.102 1.00 0.00 C ATOM 0 H ILE A 31 -5.211 -3.426 2.883 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.455 -3.801 0.496 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.507 -1.895 2.755 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.553 -1.375 0.253 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.270 -0.546 1.111 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.046 -1.794 2.995 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.689 -3.353 3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.887 -3.244 1.977 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.407 -1.574 -0.976 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.656 -2.331 0.449 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.959 -3.173 -0.423 1.00 0.00 H new ATOM 520 N ALA A 32 -2.407 -5.815 1.513 1.00 0.00 N ATOM 521 CA ALA A 32 -1.850 -7.022 2.102 1.00 0.00 C ATOM 522 C ALA A 32 -0.330 -6.950 2.094 1.00 0.00 C ATOM 523 O ALA A 32 0.268 -6.284 1.274 1.00 0.00 O ATOM 524 CB ALA A 32 -2.310 -8.243 1.303 1.00 0.00 C ATOM 0 H ALA A 32 -2.270 -5.723 0.506 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.198 -7.110 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.891 -9.147 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.398 -8.301 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.968 -8.153 0.272 1.00 0.00 H new ATOM 530 N TRP A 33 0.302 -7.619 3.018 1.00 0.00 N ATOM 531 CA TRP A 33 1.745 -7.580 3.081 1.00 0.00 C ATOM 532 C TRP A 33 2.284 -8.976 3.328 1.00 0.00 C ATOM 533 O TRP A 33 1.723 -9.726 4.076 1.00 0.00 O ATOM 534 CB TRP A 33 2.161 -6.710 4.249 1.00 0.00 C ATOM 535 CG TRP A 33 3.641 -6.680 4.332 1.00 0.00 C ATOM 536 CD1 TRP A 33 4.459 -6.347 3.315 1.00 0.00 C ATOM 537 CD2 TRP A 33 4.508 -7.006 5.458 1.00 0.00 C ATOM 538 NE1 TRP A 33 5.754 -6.357 3.782 1.00 0.00 N ATOM 539 CE2 TRP A 33 5.838 -6.776 5.065 1.00 0.00 C ATOM 540 CE3 TRP A 33 4.284 -7.451 6.767 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.908 -6.964 5.914 1.00 0.00 C ATOM 542 CZ3 TRP A 33 5.369 -7.667 7.631 1.00 0.00 C ATOM 543 CH2 TRP A 33 6.683 -7.415 7.199 1.00 0.00 C ATOM 0 H TRP A 33 -0.148 -8.192 3.732 1.00 0.00 H new ATOM 0 HA TRP A 33 2.134 -7.187 2.142 1.00 0.00 H new ATOM 0 HB2 TRP A 33 1.771 -5.700 4.122 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.741 -7.100 5.176 1.00 0.00 H new ATOM 0 HD1 TRP A 33 4.152 -6.112 2.307 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.560 -6.079 3.223 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.276 -7.628 7.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 7.913 -6.760 5.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 5.193 -8.029 8.633 1.00 0.00 H new ATOM 0 HH2 TRP A 33 7.514 -7.574 7.871 1.00 0.00 H new ATOM 554 N ALA A 34 3.366 -9.327 2.706 1.00 0.00 N ATOM 555 CA ALA A 34 3.911 -10.659 2.917 1.00 0.00 C ATOM 556 C ALA A 34 5.430 -10.692 2.739 1.00 0.00 C ATOM 557 O ALA A 34 5.937 -10.359 1.691 1.00 0.00 O ATOM 558 CB ALA A 34 3.289 -11.625 1.921 1.00 0.00 C ATOM 0 H ALA A 34 3.889 -8.736 2.060 1.00 0.00 H new ATOM 0 HA ALA A 34 3.677 -10.948 3.942 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.697 -12.623 2.079 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.209 -11.648 2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.515 -11.297 0.906 1.00 0.00 H new ATOM 564 N PRO A 35 6.103 -11.150 3.761 1.00 0.00 N ATOM 565 CA PRO A 35 7.571 -11.267 3.650 1.00 0.00 C ATOM 566 C PRO A 35 7.920 -12.718 3.302 1.00 0.00 C ATOM 567 O PRO A 35 8.495 -13.000 2.269 1.00 0.00 O ATOM 568 CB PRO A 35 8.130 -10.892 5.027 1.00 0.00 C ATOM 569 CG PRO A 35 6.931 -10.561 5.939 1.00 0.00 C ATOM 570 CD PRO A 35 5.652 -10.775 5.119 1.00 0.00 C ATOM 0 HA PRO A 35 7.987 -10.621 2.877 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.712 -11.715 5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.800 -10.036 4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 35 6.932 -11.202 6.821 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.991 -9.532 6.293 1.00 0.00 H new ATOM 0 HD2 PRO A 35 5.034 -11.559 5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 35 5.047 -9.869 5.094 1.00 0.00 H new ATOM 678 N THR A 42 0.965 -11.765 4.646 1.00 0.00 N ATOM 679 CA THR A 42 1.145 -11.831 6.079 1.00 0.00 C ATOM 680 C THR A 42 0.037 -11.010 6.775 1.00 0.00 C ATOM 681 O THR A 42 -0.416 -11.353 7.849 1.00 0.00 O ATOM 682 CB THR A 42 2.552 -11.295 6.425 1.00 0.00 C ATOM 683 OG1 THR A 42 2.967 -11.825 7.675 1.00 0.00 O ATOM 684 CG2 THR A 42 2.562 -9.770 6.494 1.00 0.00 C ATOM 0 HA THR A 42 1.068 -12.860 6.431 1.00 0.00 H new ATOM 0 HB THR A 42 3.238 -11.608 5.638 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.860 -11.486 7.894 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.566 -9.423 6.739 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.262 -9.360 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.865 -9.436 7.263 1.00 0.00 H new ATOM 692 N ILE A 43 -0.407 -9.936 6.165 1.00 0.00 N ATOM 693 CA ILE A 43 -1.462 -9.133 6.777 1.00 0.00 C ATOM 694 C ILE A 43 -2.349 -8.532 5.684 1.00 0.00 C ATOM 695 O ILE A 43 -2.020 -8.564 4.516 1.00 0.00 O ATOM 696 CB ILE A 43 -0.868 -8.017 7.689 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.192 -6.603 7.161 1.00 0.00 C ATOM 698 CG2 ILE A 43 0.647 -8.164 7.804 1.00 0.00 C ATOM 699 CD1 ILE A 43 -0.541 -6.382 5.791 1.00 0.00 C ATOM 0 H ILE A 43 -0.069 -9.596 5.265 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.068 -9.780 7.411 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.330 -8.136 8.669 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.272 -6.476 7.082 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.833 -5.853 7.866 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.041 -7.375 8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.887 -9.136 8.235 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.096 -8.086 6.814 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.779 -5.381 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.540 -6.488 5.881 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.921 -7.120 5.084 1.00 0.00 H new ATOM 711 N SER A 44 -3.471 -7.985 6.071 1.00 0.00 N ATOM 712 CA SER A 44 -4.377 -7.383 5.113 1.00 0.00 C ATOM 713 C SER A 44 -5.261 -6.372 5.851 1.00 0.00 C ATOM 714 O SER A 44 -5.983 -6.722 6.764 1.00 0.00 O ATOM 715 CB SER A 44 -5.253 -8.465 4.483 1.00 0.00 C ATOM 716 OG SER A 44 -5.641 -9.397 5.484 1.00 0.00 O ATOM 0 H SER A 44 -3.784 -7.941 7.041 1.00 0.00 H new ATOM 0 HA SER A 44 -3.811 -6.884 4.326 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.135 -8.015 4.027 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.708 -8.974 3.688 1.00 0.00 H new ATOM 0 HG SER A 44 -5.889 -8.916 6.301 1.00 0.00 H new ATOM 722 N HIS A 45 -5.208 -5.121 5.477 1.00 0.00 N ATOM 723 CA HIS A 45 -6.025 -4.132 6.165 1.00 0.00 C ATOM 724 C HIS A 45 -7.071 -3.560 5.213 1.00 0.00 C ATOM 725 O HIS A 45 -6.757 -2.996 4.182 1.00 0.00 O ATOM 726 CB HIS A 45 -5.174 -2.973 6.689 1.00 0.00 C ATOM 727 CG HIS A 45 -3.717 -3.245 6.473 1.00 0.00 C ATOM 728 ND1 HIS A 45 -2.978 -3.313 5.331 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -2.835 -3.480 7.516 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -1.649 -3.585 5.643 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -1.618 -3.676 6.976 1.00 0.00 N flip ATOM 0 H HIS A 45 -4.627 -4.760 4.721 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.505 -4.636 7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.456 -2.050 6.182 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.368 -2.825 7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.079 -3.502 8.568 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -0.823 -3.698 4.957 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -0.776 -3.870 7.517 1.00 0.00 H new ATOM 739 N MET A 46 -8.306 -3.669 5.590 1.00 0.00 N ATOM 740 CA MET A 46 -9.363 -3.126 4.771 1.00 0.00 C ATOM 741 C MET A 46 -9.225 -1.605 4.783 1.00 0.00 C ATOM 742 O MET A 46 -9.466 -0.965 5.784 1.00 0.00 O ATOM 743 CB MET A 46 -10.727 -3.535 5.329 1.00 0.00 C ATOM 744 CG MET A 46 -11.341 -4.614 4.436 1.00 0.00 C ATOM 745 SD MET A 46 -12.091 -5.898 5.468 1.00 0.00 S ATOM 746 CE MET A 46 -12.474 -7.062 4.136 1.00 0.00 C ATOM 0 H MET A 46 -8.614 -4.123 6.450 1.00 0.00 H new ATOM 0 HA MET A 46 -9.288 -3.507 3.753 1.00 0.00 H new ATOM 0 HB2 MET A 46 -10.618 -3.909 6.347 1.00 0.00 H new ATOM 0 HB3 MET A 46 -11.387 -2.669 5.377 1.00 0.00 H new ATOM 0 HG2 MET A 46 -12.093 -4.174 3.781 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.575 -5.050 3.795 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.953 -7.948 4.553 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.147 -6.588 3.421 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.553 -7.352 3.630 1.00 0.00 H new ATOM 756 N TYR A 47 -8.821 -1.027 3.683 1.00 0.00 N ATOM 757 CA TYR A 47 -8.648 0.411 3.630 1.00 0.00 C ATOM 758 C TYR A 47 -9.798 1.106 4.379 1.00 0.00 C ATOM 759 O TYR A 47 -9.579 2.004 5.154 1.00 0.00 O ATOM 760 CB TYR A 47 -8.616 0.883 2.166 1.00 0.00 C ATOM 761 CG TYR A 47 -7.207 0.807 1.582 1.00 0.00 C ATOM 762 CD1 TYR A 47 -6.069 0.960 2.396 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.041 0.619 0.197 1.00 0.00 C ATOM 764 CE1 TYR A 47 -4.790 0.928 1.828 1.00 0.00 C ATOM 765 CE2 TYR A 47 -5.762 0.580 -0.358 1.00 0.00 C ATOM 766 CZ TYR A 47 -4.638 0.737 0.452 1.00 0.00 C ATOM 767 OH TYR A 47 -3.378 0.717 -0.109 1.00 0.00 O ATOM 0 H TYR A 47 -8.606 -1.519 2.816 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.704 0.672 4.108 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.291 0.269 1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.981 1.908 2.106 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.183 1.102 3.461 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.907 0.505 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.919 1.051 2.454 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.642 0.427 -1.420 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.058 1.636 -0.228 1.00 0.00 H new ATOM 777 N ALA A 48 -11.014 0.667 4.206 1.00 0.00 N ATOM 778 CA ALA A 48 -12.101 1.294 4.944 1.00 0.00 C ATOM 779 C ALA A 48 -11.914 0.972 6.428 1.00 0.00 C ATOM 780 O ALA A 48 -12.012 1.825 7.289 1.00 0.00 O ATOM 781 CB ALA A 48 -13.442 0.737 4.461 1.00 0.00 C ATOM 0 H ALA A 48 -11.283 -0.096 3.585 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.093 2.372 4.786 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.253 1.209 5.016 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.561 0.945 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -13.469 -0.340 4.625 1.00 0.00 H new ATOM 787 N ASP A 49 -11.642 -0.272 6.708 1.00 0.00 N ATOM 788 CA ASP A 49 -11.440 -0.695 8.082 1.00 0.00 C ATOM 789 C ASP A 49 -10.540 0.328 8.728 1.00 0.00 C ATOM 790 O ASP A 49 -10.565 0.553 9.916 1.00 0.00 O ATOM 791 CB ASP A 49 -10.797 -2.082 8.133 1.00 0.00 C ATOM 792 CG ASP A 49 -11.887 -3.146 8.273 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.051 -2.778 8.256 1.00 0.00 O ATOM 794 OD2 ASP A 49 -11.541 -4.309 8.396 1.00 0.00 O ATOM 0 H ASP A 49 -11.554 -1.014 6.013 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.392 -0.763 8.608 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.216 -2.258 7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.105 -2.143 8.973 1.00 0.00 H new ATOM 799 N ILE A 50 -9.709 0.916 7.941 1.00 0.00 N ATOM 800 CA ILE A 50 -8.797 1.878 8.470 1.00 0.00 C ATOM 801 C ILE A 50 -9.148 3.260 7.926 1.00 0.00 C ATOM 802 O ILE A 50 -9.791 3.376 6.907 1.00 0.00 O ATOM 803 CB ILE A 50 -7.393 1.482 8.028 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.306 1.339 6.503 1.00 0.00 C ATOM 805 CG2 ILE A 50 -7.034 0.145 8.662 1.00 0.00 C ATOM 806 CD1 ILE A 50 -7.129 2.714 5.856 1.00 0.00 C ATOM 0 H ILE A 50 -9.639 0.753 6.937 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.853 1.908 9.558 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.702 2.264 8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.469 0.693 6.238 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.210 0.863 6.122 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.031 -0.147 8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.066 0.237 9.748 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.748 -0.613 8.341 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.068 2.602 4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.980 3.347 6.108 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.212 3.174 6.225 1.00 0.00 H new ATOM 818 N LYS A 51 -8.708 4.324 8.542 1.00 0.00 N ATOM 819 CA LYS A 51 -9.004 5.594 7.937 1.00 0.00 C ATOM 820 C LYS A 51 -7.886 6.586 8.197 1.00 0.00 C ATOM 821 O LYS A 51 -7.783 7.192 9.245 1.00 0.00 O ATOM 822 CB LYS A 51 -10.295 6.182 8.470 1.00 0.00 C ATOM 823 CG LYS A 51 -10.782 7.212 7.449 1.00 0.00 C ATOM 824 CD LYS A 51 -9.825 8.410 7.428 1.00 0.00 C ATOM 825 CE LYS A 51 -10.525 9.614 6.793 1.00 0.00 C ATOM 826 NZ LYS A 51 -11.271 10.364 7.842 1.00 0.00 N ATOM 0 H LYS A 51 -8.174 4.344 9.411 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.107 5.414 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.042 5.401 8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.132 6.651 9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.836 6.760 6.459 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.789 7.543 7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.509 8.654 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -8.926 8.160 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.792 10.265 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.209 9.281 6.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.747 11.182 7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.980 9.740 8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.607 10.694 8.571 1.00 0.00 H new ATOM 840 N CYS A 52 -7.097 6.787 7.201 1.00 0.00 N ATOM 841 CA CYS A 52 -6.032 7.746 7.256 1.00 0.00 C ATOM 842 C CYS A 52 -5.213 7.577 5.997 1.00 0.00 C ATOM 843 O CYS A 52 -4.829 6.473 5.665 1.00 0.00 O ATOM 844 CB CYS A 52 -5.176 7.512 8.470 1.00 0.00 C ATOM 845 SG CYS A 52 -5.540 8.772 9.719 1.00 0.00 S ATOM 0 H CYS A 52 -7.167 6.290 6.313 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.430 8.758 7.325 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.365 6.518 8.875 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.121 7.550 8.197 1.00 0.00 H new ATOM 0 HG CYS A 52 -6.796 8.707 10.048 1.00 0.00 H new ATOM 851 N GLN A 53 -4.971 8.612 5.275 1.00 0.00 N ATOM 852 CA GLN A 53 -4.228 8.421 4.050 1.00 0.00 C ATOM 853 C GLN A 53 -3.287 9.592 3.786 1.00 0.00 C ATOM 854 O GLN A 53 -3.670 10.745 3.782 1.00 0.00 O ATOM 855 CB GLN A 53 -5.207 8.295 2.879 1.00 0.00 C ATOM 856 CG GLN A 53 -6.044 7.019 3.026 1.00 0.00 C ATOM 857 CD GLN A 53 -7.184 7.259 4.016 1.00 0.00 C ATOM 858 OE1 GLN A 53 -7.283 8.317 4.605 1.00 0.00 O ATOM 859 NE2 GLN A 53 -8.060 6.314 4.222 1.00 0.00 N ATOM 0 H GLN A 53 -5.256 9.569 5.485 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.633 7.513 4.150 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.861 9.166 2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.659 8.273 1.937 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.447 6.724 2.057 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.416 6.199 3.373 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.977 5.426 3.728 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.827 6.464 4.877 1.00 0.00 H new ATOM 868 N LYS A 54 -2.041 9.269 3.569 1.00 0.00 N ATOM 869 CA LYS A 54 -1.035 10.272 3.308 1.00 0.00 C ATOM 870 C LYS A 54 -0.001 9.668 2.347 1.00 0.00 C ATOM 871 O LYS A 54 0.709 8.745 2.692 1.00 0.00 O ATOM 872 CB LYS A 54 -0.375 10.659 4.643 1.00 0.00 C ATOM 873 CG LYS A 54 1.092 11.050 4.433 1.00 0.00 C ATOM 874 CD LYS A 54 1.473 12.156 5.420 1.00 0.00 C ATOM 875 CE LYS A 54 2.419 13.146 4.739 1.00 0.00 C ATOM 876 NZ LYS A 54 3.498 12.398 4.035 1.00 0.00 N ATOM 0 H LYS A 54 -1.692 8.310 3.567 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.468 11.165 2.857 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.917 11.491 5.094 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.437 9.823 5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.735 10.182 4.578 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.245 11.393 3.410 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.578 12.672 5.767 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.953 11.724 6.298 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.868 13.763 4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.852 13.820 5.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.364 12.973 4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.685 11.506 4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.199 12.192 3.060 1.00 0.00 H new ATOM 988 N LYS A 62 11.747 8.050 -1.801 1.00 0.00 N ATOM 989 CA LYS A 62 11.654 7.234 -2.994 1.00 0.00 C ATOM 990 C LYS A 62 10.417 6.371 -2.989 1.00 0.00 C ATOM 991 O LYS A 62 10.462 5.365 -3.629 1.00 0.00 O ATOM 992 CB LYS A 62 12.839 6.263 -3.105 1.00 0.00 C ATOM 993 CG LYS A 62 13.328 5.885 -1.704 1.00 0.00 C ATOM 994 CD LYS A 62 14.384 6.874 -1.220 1.00 0.00 C ATOM 995 CE LYS A 62 15.701 6.136 -0.971 1.00 0.00 C ATOM 996 NZ LYS A 62 16.842 7.014 -1.356 1.00 0.00 N ATOM 0 HA LYS A 62 11.637 7.939 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.539 5.368 -3.650 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.648 6.724 -3.671 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.487 5.873 -1.010 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.744 4.878 -1.717 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.530 7.659 -1.962 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.049 7.360 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.781 5.857 0.080 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.728 5.212 -1.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.738 6.513 -1.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.767 7.259 -2.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.819 7.884 -0.786 1.00 0.00 H new ATOM 1010 N ILE A 63 9.314 6.768 -2.367 1.00 0.00 N ATOM 1011 CA ILE A 63 8.073 5.970 -2.385 1.00 0.00 C ATOM 1012 C ILE A 63 7.718 5.420 -0.999 1.00 0.00 C ATOM 1013 O ILE A 63 7.952 4.270 -0.687 1.00 0.00 O ATOM 1014 CB ILE A 63 8.093 4.839 -3.399 1.00 0.00 C ATOM 1015 CG1 ILE A 63 6.728 4.166 -3.445 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.106 3.768 -3.001 1.00 0.00 C ATOM 1017 CD1 ILE A 63 5.952 4.665 -4.658 1.00 0.00 C ATOM 0 H ILE A 63 9.244 7.638 -1.840 1.00 0.00 H new ATOM 0 HA ILE A 63 7.298 6.671 -2.695 1.00 0.00 H new ATOM 0 HB ILE A 63 8.358 5.268 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.847 3.084 -3.497 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.174 4.383 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.101 2.969 -3.743 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.101 4.210 -2.950 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.840 3.359 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.975 4.182 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.821 5.745 -4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.504 4.426 -5.567 1.00 0.00 H new ATOM 1029 N GLN A 64 7.114 6.245 -0.184 1.00 0.00 N ATOM 1030 CA GLN A 64 6.692 5.824 1.138 1.00 0.00 C ATOM 1031 C GLN A 64 5.245 6.284 1.324 1.00 0.00 C ATOM 1032 O GLN A 64 4.879 7.368 0.917 1.00 0.00 O ATOM 1033 CB GLN A 64 7.576 6.460 2.222 1.00 0.00 C ATOM 1034 CG GLN A 64 8.400 7.608 1.630 1.00 0.00 C ATOM 1035 CD GLN A 64 9.328 8.182 2.703 1.00 0.00 C ATOM 1036 OE1 GLN A 64 9.903 7.375 3.552 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 9.531 9.378 2.770 1.00 0.00 N flip ATOM 0 H GLN A 64 6.900 7.217 -0.408 1.00 0.00 H new ATOM 0 HA GLN A 64 6.778 4.741 1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.954 6.832 3.036 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.241 5.708 2.647 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.985 7.250 0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.738 8.387 1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.082 10.009 2.107 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.151 9.751 3.490 1.00 0.00 H new ATOM 1046 N LEU A 65 4.413 5.484 1.929 1.00 0.00 N ATOM 1047 CA LEU A 65 3.035 5.905 2.110 1.00 0.00 C ATOM 1048 C LEU A 65 2.628 5.726 3.577 1.00 0.00 C ATOM 1049 O LEU A 65 3.278 5.019 4.329 1.00 0.00 O ATOM 1050 CB LEU A 65 2.098 5.126 1.155 1.00 0.00 C ATOM 1051 CG LEU A 65 2.036 3.621 1.470 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.423 2.996 1.352 1.00 0.00 C ATOM 1053 CD2 LEU A 65 1.478 3.378 2.876 1.00 0.00 C ATOM 0 H LEU A 65 4.645 4.562 2.299 1.00 0.00 H new ATOM 0 HA LEU A 65 2.944 6.962 1.860 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.094 5.546 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.438 5.263 0.129 1.00 0.00 H new ATOM 0 HG LEU A 65 1.369 3.154 0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.363 1.931 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.798 3.131 0.337 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.101 3.478 2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.444 2.307 3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.120 3.863 3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.472 3.791 2.945 1.00 0.00 H new ATOM 1065 N GLN A 66 1.563 6.370 3.992 1.00 0.00 N ATOM 1066 CA GLN A 66 1.136 6.259 5.381 1.00 0.00 C ATOM 1067 C GLN A 66 -0.397 6.234 5.483 1.00 0.00 C ATOM 1068 O GLN A 66 -1.081 7.147 5.064 1.00 0.00 O ATOM 1069 CB GLN A 66 1.672 7.454 6.171 1.00 0.00 C ATOM 1070 CG GLN A 66 2.649 6.963 7.241 1.00 0.00 C ATOM 1071 CD GLN A 66 3.498 8.136 7.732 1.00 0.00 C ATOM 1072 OE1 GLN A 66 4.369 8.607 7.028 1.00 0.00 O ATOM 1073 NE2 GLN A 66 3.281 8.632 8.920 1.00 0.00 N ATOM 0 H GLN A 66 0.980 6.968 3.406 1.00 0.00 H new ATOM 0 HA GLN A 66 1.528 5.328 5.791 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.172 8.152 5.500 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.848 7.995 6.637 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.101 6.523 8.074 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.290 6.182 6.832 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.550 8.237 9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.842 9.414 9.256 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.926 5.175 6.030 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.359 5.035 6.166 1.00 0.00 C ATOM 1084 C LEU A 67 -2.648 4.707 7.624 1.00 0.00 C ATOM 1085 O LEU A 67 -1.821 4.134 8.299 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.804 3.888 5.254 1.00 0.00 C ATOM 1087 CG LEU A 67 -4.275 3.563 5.475 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -5.083 4.051 4.272 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -4.433 2.048 5.621 1.00 0.00 C ATOM 0 H LEU A 67 -0.387 4.389 6.393 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.893 5.943 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.640 4.161 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.198 3.004 5.451 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.636 4.057 6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.137 3.821 4.424 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.959 5.128 4.163 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.730 3.552 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.484 1.805 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.080 1.556 4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.848 1.702 6.473 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.791 5.054 8.142 1.00 0.00 N ATOM 1102 CA VAL A 68 -4.015 4.724 9.538 1.00 0.00 C ATOM 1103 C VAL A 68 -5.349 4.055 9.760 1.00 0.00 C ATOM 1104 O VAL A 68 -6.265 4.133 8.974 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.896 5.936 10.458 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.616 5.460 11.878 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.725 6.789 10.028 1.00 0.00 C ATOM 0 H VAL A 68 -4.549 5.538 7.661 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.222 4.021 9.795 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.823 6.507 10.411 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.530 6.322 12.540 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.433 4.823 12.216 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.684 4.895 11.895 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.643 7.653 10.687 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.808 6.202 10.083 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.878 7.127 9.003 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.392 3.347 10.836 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.542 2.570 11.214 1.00 0.00 C ATOM 1119 C LEU A 69 -7.458 3.413 12.098 1.00 0.00 C ATOM 1120 O LEU A 69 -6.982 4.196 12.896 1.00 0.00 O ATOM 1121 CB LEU A 69 -5.997 1.365 12.013 1.00 0.00 C ATOM 1122 CG LEU A 69 -4.849 0.631 11.241 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -5.188 -0.827 10.988 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.558 1.253 9.877 1.00 0.00 C ATOM 0 H LEU A 69 -4.618 3.285 11.497 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.117 2.245 10.347 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.626 1.707 12.979 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.807 0.664 12.213 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.976 0.727 11.887 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.368 -1.303 10.450 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.341 -1.335 11.940 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.098 -0.891 10.392 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.754 0.702 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.454 1.209 9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.258 2.293 10.008 1.00 0.00 H new ATOM 1136 N HIS A 70 -8.767 3.249 11.998 1.00 0.00 N ATOM 1137 CA HIS A 70 -9.651 4.016 12.871 1.00 0.00 C ATOM 1138 C HIS A 70 -9.041 3.922 14.270 1.00 0.00 C ATOM 1139 O HIS A 70 -9.095 4.830 15.076 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.054 3.396 12.897 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.742 3.564 11.567 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -12.154 2.649 10.631 1.00 0.00 N flip ATOM 1143 CD2 HIS A 70 -12.126 4.800 11.073 1.00 0.00 C flip ATOM 1144 CE1 HIS A 70 -12.782 3.296 9.579 1.00 0.00 C flip ATOM 1145 NE2 HIS A 70 -12.741 4.588 9.892 1.00 0.00 N flip ATOM 0 H HIS A 70 -9.232 2.616 11.347 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.744 5.045 12.524 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.983 2.336 13.143 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.649 3.866 13.680 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -12.018 1.640 10.700 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.963 5.757 11.547 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -13.212 2.848 8.695 1.00 0.00 H new ATOM 1153 N ALA A 71 -8.424 2.797 14.511 1.00 0.00 N ATOM 1154 CA ALA A 71 -7.761 2.559 15.767 1.00 0.00 C ATOM 1155 C ALA A 71 -6.456 3.360 15.785 1.00 0.00 C ATOM 1156 O ALA A 71 -6.339 4.391 15.153 1.00 0.00 O ATOM 1157 CB ALA A 71 -7.454 1.068 15.916 1.00 0.00 C ATOM 0 H ALA A 71 -8.366 2.024 13.848 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.402 2.869 16.592 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.952 0.893 16.868 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.384 0.500 15.886 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.806 0.747 15.100 1.00 0.00 H new ATOM 1163 N GLY A 72 -5.493 2.916 16.536 1.00 0.00 N ATOM 1164 CA GLY A 72 -4.236 3.645 16.644 1.00 0.00 C ATOM 1165 C GLY A 72 -3.137 2.861 15.945 1.00 0.00 C ATOM 1166 O GLY A 72 -2.084 2.594 16.489 1.00 0.00 O ATOM 0 H GLY A 72 -5.539 2.058 17.086 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.336 4.633 16.194 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.979 3.797 17.692 1.00 0.00 H new ATOM 1170 N ASP A 73 -3.407 2.479 14.747 1.00 0.00 N ATOM 1171 CA ASP A 73 -2.445 1.709 14.006 1.00 0.00 C ATOM 1172 C ASP A 73 -2.239 2.366 12.661 1.00 0.00 C ATOM 1173 O ASP A 73 -3.176 2.645 11.941 1.00 0.00 O ATOM 1174 CB ASP A 73 -2.948 0.275 13.831 1.00 0.00 C ATOM 1175 CG ASP A 73 -2.544 -0.561 15.047 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -1.846 -0.034 15.898 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -2.941 -1.713 15.108 1.00 0.00 O ATOM 0 H ASP A 73 -4.277 2.680 14.253 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.498 1.673 14.544 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.032 0.270 13.717 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.530 -0.160 12.923 1.00 0.00 H new ATOM 1182 N THR A 74 -1.017 2.624 12.316 1.00 0.00 N ATOM 1183 CA THR A 74 -0.754 3.259 11.059 1.00 0.00 C ATOM 1184 C THR A 74 -0.126 2.243 10.129 1.00 0.00 C ATOM 1185 O THR A 74 0.428 1.251 10.558 1.00 0.00 O ATOM 1186 CB THR A 74 0.209 4.431 11.265 1.00 0.00 C ATOM 1187 OG1 THR A 74 -0.227 5.211 12.369 1.00 0.00 O ATOM 1188 CG2 THR A 74 0.238 5.297 10.005 1.00 0.00 C ATOM 0 H THR A 74 -0.193 2.409 12.878 1.00 0.00 H new ATOM 0 HA THR A 74 -1.683 3.635 10.630 1.00 0.00 H new ATOM 0 HB THR A 74 1.210 4.049 11.463 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.389 5.961 12.503 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.924 6.131 10.153 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.573 4.697 9.159 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.762 5.681 9.804 1.00 0.00 H new ATOM 1196 N THR A 75 -0.174 2.492 8.862 1.00 0.00 N ATOM 1197 CA THR A 75 0.432 1.591 7.931 1.00 0.00 C ATOM 1198 C THR A 75 1.508 2.395 7.223 1.00 0.00 C ATOM 1199 O THR A 75 1.219 3.342 6.519 1.00 0.00 O ATOM 1200 CB THR A 75 -0.607 1.100 6.920 1.00 0.00 C ATOM 1201 OG1 THR A 75 -1.886 1.067 7.537 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.232 -0.303 6.442 1.00 0.00 C ATOM 0 H THR A 75 -0.624 3.308 8.446 1.00 0.00 H new ATOM 0 HA THR A 75 0.844 0.713 8.429 1.00 0.00 H new ATOM 0 HB THR A 75 -0.633 1.777 6.066 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.411 0.329 7.163 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.972 -0.652 5.722 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.750 -0.276 5.969 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.206 -0.983 7.294 1.00 0.00 H new ATOM 1210 N ASN A 76 2.739 2.042 7.389 1.00 0.00 N ATOM 1211 CA ASN A 76 3.780 2.784 6.728 1.00 0.00 C ATOM 1212 C ASN A 76 4.439 1.852 5.741 1.00 0.00 C ATOM 1213 O ASN A 76 4.940 0.808 6.110 1.00 0.00 O ATOM 1214 CB ASN A 76 4.815 3.252 7.748 1.00 0.00 C ATOM 1215 CG ASN A 76 4.142 4.150 8.788 1.00 0.00 C ATOM 1216 OD1 ASN A 76 3.140 4.777 8.508 1.00 0.00 O ATOM 1217 ND2 ASN A 76 4.653 4.237 9.986 1.00 0.00 N ATOM 0 H ASN A 76 3.053 1.260 7.964 1.00 0.00 H new ATOM 0 HA ASN A 76 3.366 3.659 6.227 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.273 2.392 8.237 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.615 3.796 7.246 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.211 4.831 10.687 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.494 3.710 10.221 1.00 0.00 H new ATOM 1224 N PHE A 77 4.458 2.189 4.493 1.00 0.00 N ATOM 1225 CA PHE A 77 5.088 1.291 3.570 1.00 0.00 C ATOM 1226 C PHE A 77 6.078 2.050 2.708 1.00 0.00 C ATOM 1227 O PHE A 77 5.903 3.213 2.399 1.00 0.00 O ATOM 1228 CB PHE A 77 4.041 0.569 2.733 1.00 0.00 C ATOM 1229 CG PHE A 77 4.094 -0.876 3.134 1.00 0.00 C ATOM 1230 CD1 PHE A 77 5.327 -1.523 3.109 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.944 -1.566 3.543 1.00 0.00 C ATOM 1232 CE1 PHE A 77 5.426 -2.853 3.485 1.00 0.00 C ATOM 1233 CE2 PHE A 77 3.045 -2.905 3.919 1.00 0.00 C ATOM 1234 CZ PHE A 77 4.290 -3.542 3.887 1.00 0.00 C ATOM 0 H PHE A 77 4.064 3.042 4.096 1.00 0.00 H new ATOM 0 HA PHE A 77 5.640 0.531 4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.049 0.984 2.911 1.00 0.00 H new ATOM 0 HB3 PHE A 77 4.249 0.684 1.669 1.00 0.00 H new ATOM 0 HD1 PHE A 77 6.210 -0.986 2.795 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.988 -1.065 3.567 1.00 0.00 H new ATOM 0 HE1 PHE A 77 6.384 -3.352 3.465 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.166 -3.448 4.234 1.00 0.00 H new ATOM 0 HZ PHE A 77 4.368 -4.579 4.178 1.00 0.00 H new ATOM 1244 N HIS A 78 7.157 1.411 2.380 1.00 0.00 N ATOM 1245 CA HIS A 78 8.177 2.097 1.629 1.00 0.00 C ATOM 1246 C HIS A 78 8.928 1.152 0.720 1.00 0.00 C ATOM 1247 O HIS A 78 9.254 0.055 1.072 1.00 0.00 O ATOM 1248 CB HIS A 78 9.196 2.718 2.594 1.00 0.00 C ATOM 1249 CG HIS A 78 10.260 3.422 1.791 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.330 2.731 1.265 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.428 4.734 1.378 1.00 0.00 C ATOM 1252 CE1 HIS A 78 12.075 3.605 0.574 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.576 4.835 0.618 1.00 0.00 N ATOM 0 H HIS A 78 7.358 0.438 2.611 1.00 0.00 H new ATOM 0 HA HIS A 78 7.681 2.860 1.029 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.701 3.422 3.264 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.644 1.945 3.218 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.520 1.736 1.381 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.763 5.552 1.614 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.977 3.340 0.043 1.00 0.00 H new ATOM 1261 N PHE A 79 9.268 1.627 -0.421 1.00 0.00 N ATOM 1262 CA PHE A 79 10.057 0.847 -1.330 1.00 0.00 C ATOM 1263 C PHE A 79 11.354 1.659 -1.491 1.00 0.00 C ATOM 1264 O PHE A 79 11.281 2.867 -1.531 1.00 0.00 O ATOM 1265 CB PHE A 79 9.329 0.682 -2.657 1.00 0.00 C ATOM 1266 CG PHE A 79 7.798 0.523 -2.507 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.993 1.497 -1.853 1.00 0.00 C ATOM 1268 CD2 PHE A 79 7.168 -0.580 -3.107 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.591 1.349 -1.810 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.773 -0.720 -3.046 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.991 0.242 -2.405 1.00 0.00 C ATOM 0 H PHE A 79 9.016 2.556 -0.759 1.00 0.00 H new ATOM 0 HA PHE A 79 10.251 -0.164 -0.971 1.00 0.00 H new ATOM 0 HB2 PHE A 79 9.536 1.548 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 79 9.728 -0.190 -3.175 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.458 2.354 -1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 79 7.761 -1.324 -3.618 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.984 2.093 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.301 -1.579 -3.499 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.918 0.128 -2.370 1.00 0.00 H new ATOM 1346 N ALA A 85 12.857 0.194 -6.297 1.00 0.00 N ATOM 1347 CA ALA A 85 11.931 1.077 -5.620 1.00 0.00 C ATOM 1348 C ALA A 85 11.988 2.528 -6.121 1.00 0.00 C ATOM 1349 O ALA A 85 12.545 3.405 -5.490 1.00 0.00 O ATOM 1350 CB ALA A 85 12.251 1.045 -4.142 1.00 0.00 C ATOM 0 HA ALA A 85 10.922 0.721 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.566 1.703 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.142 0.027 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.276 1.382 -3.984 1.00 0.00 H new ATOM 1356 N VAL A 86 11.361 2.773 -7.218 1.00 0.00 N ATOM 1357 CA VAL A 86 11.270 4.106 -7.786 1.00 0.00 C ATOM 1358 C VAL A 86 9.925 4.216 -8.556 1.00 0.00 C ATOM 1359 O VAL A 86 8.875 4.183 -7.953 1.00 0.00 O ATOM 1360 CB VAL A 86 12.460 4.392 -8.716 1.00 0.00 C ATOM 1361 CG1 VAL A 86 13.650 4.868 -7.881 1.00 0.00 C ATOM 1362 CG2 VAL A 86 12.859 3.127 -9.481 1.00 0.00 C ATOM 0 H VAL A 86 10.885 2.056 -7.766 1.00 0.00 H new ATOM 0 HA VAL A 86 11.302 4.849 -6.989 1.00 0.00 H new ATOM 0 HB VAL A 86 12.170 5.162 -9.431 1.00 0.00 H new ATOM 0 HG11 VAL A 86 14.496 5.072 -8.537 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.378 5.778 -7.346 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.925 4.094 -7.165 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.703 3.348 -10.135 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.142 2.348 -8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.016 2.783 -10.081 1.00 0.00 H new ATOM 1372 N LYS A 87 9.942 4.341 -9.872 1.00 0.00 N ATOM 1373 CA LYS A 87 8.686 4.456 -10.641 1.00 0.00 C ATOM 1374 C LYS A 87 7.728 3.287 -10.328 1.00 0.00 C ATOM 1375 O LYS A 87 6.644 3.476 -9.836 1.00 0.00 O ATOM 1376 CB LYS A 87 9.009 4.455 -12.136 1.00 0.00 C ATOM 1377 CG LYS A 87 8.513 5.758 -12.767 1.00 0.00 C ATOM 1378 CD LYS A 87 9.264 6.012 -14.076 1.00 0.00 C ATOM 1379 CE LYS A 87 9.344 7.518 -14.334 1.00 0.00 C ATOM 1380 NZ LYS A 87 10.227 7.774 -15.507 1.00 0.00 N ATOM 0 H LYS A 87 10.792 4.367 -10.436 1.00 0.00 H new ATOM 0 HA LYS A 87 8.195 5.387 -10.358 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.084 4.352 -12.286 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.536 3.601 -12.620 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.441 5.697 -12.957 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.669 6.589 -12.079 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.267 5.588 -14.021 1.00 0.00 H new ATOM 0 HD3 LYS A 87 8.754 5.517 -14.902 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.348 7.919 -14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.734 8.029 -13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 10.282 8.797 -15.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.179 7.405 -15.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.837 7.299 -16.346 1.00 0.00 H new ATOM 1394 N GLU A 88 8.106 2.095 -10.674 1.00 0.00 N ATOM 1395 CA GLU A 88 7.248 0.921 -10.443 1.00 0.00 C ATOM 1396 C GLU A 88 6.472 1.070 -9.138 1.00 0.00 C ATOM 1397 O GLU A 88 5.262 1.226 -9.129 1.00 0.00 O ATOM 1398 CB GLU A 88 8.100 -0.340 -10.287 1.00 0.00 C ATOM 1399 CG GLU A 88 9.584 0.007 -10.316 1.00 0.00 C ATOM 1400 CD GLU A 88 9.930 1.072 -9.300 1.00 0.00 C ATOM 1401 OE1 GLU A 88 9.523 0.940 -8.169 1.00 0.00 O ATOM 1402 OE2 GLU A 88 10.595 2.015 -9.676 1.00 0.00 O ATOM 0 H GLU A 88 8.999 1.885 -11.119 1.00 0.00 H new ATOM 0 HA GLU A 88 6.575 0.846 -11.297 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.856 -0.836 -9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.870 -1.042 -11.088 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.171 -0.890 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.857 0.353 -11.313 1.00 0.00 H new ATOM 1409 N ARG A 89 7.146 1.053 -8.028 1.00 0.00 N ATOM 1410 CA ARG A 89 6.429 1.227 -6.784 1.00 0.00 C ATOM 1411 C ARG A 89 5.737 2.577 -6.885 1.00 0.00 C ATOM 1412 O ARG A 89 4.663 2.793 -6.354 1.00 0.00 O ATOM 1413 CB ARG A 89 7.379 1.214 -5.585 1.00 0.00 C ATOM 1414 CG ARG A 89 8.425 0.092 -5.705 1.00 0.00 C ATOM 1415 CD ARG A 89 7.846 -1.177 -6.347 1.00 0.00 C ATOM 1416 NE ARG A 89 8.711 -1.599 -7.435 1.00 0.00 N ATOM 1417 CZ ARG A 89 8.663 -2.827 -7.884 1.00 0.00 C ATOM 1418 NH1 ARG A 89 7.872 -3.702 -7.329 1.00 0.00 N ATOM 1419 NH2 ARG A 89 9.426 -3.186 -8.880 1.00 0.00 N ATOM 0 H ARG A 89 8.155 0.926 -7.948 1.00 0.00 H new ATOM 0 HA ARG A 89 5.720 0.413 -6.631 1.00 0.00 H new ATOM 0 HB2 ARG A 89 7.884 2.177 -5.510 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.806 1.082 -4.667 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.267 0.446 -6.299 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.812 -0.148 -4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.763 -1.970 -5.604 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.840 -0.984 -6.720 1.00 0.00 H new ATOM 0 HE ARG A 89 9.361 -0.933 -7.852 1.00 0.00 H new ATOM 0 HH11 ARG A 89 7.286 -3.431 -6.540 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.840 -4.658 -7.684 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.059 -2.510 -9.307 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.390 -4.143 -9.231 1.00 0.00 H new ATOM 1433 N ASP A 90 6.335 3.477 -7.619 1.00 0.00 N ATOM 1434 CA ASP A 90 5.691 4.781 -7.807 1.00 0.00 C ATOM 1435 C ASP A 90 4.354 4.539 -8.514 1.00 0.00 C ATOM 1436 O ASP A 90 3.449 5.351 -8.466 1.00 0.00 O ATOM 1437 CB ASP A 90 6.550 5.733 -8.652 1.00 0.00 C ATOM 1438 CG ASP A 90 6.080 7.171 -8.426 1.00 0.00 C ATOM 1439 OD1 ASP A 90 5.093 7.349 -7.731 1.00 0.00 O ATOM 1440 OD2 ASP A 90 6.716 8.070 -8.951 1.00 0.00 O ATOM 0 H ASP A 90 7.233 3.355 -8.087 1.00 0.00 H new ATOM 0 HA ASP A 90 5.553 5.252 -6.834 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.600 5.634 -8.378 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.470 5.474 -9.708 1.00 0.00 H new ATOM 1445 N ALA A 91 4.197 3.376 -9.089 1.00 0.00 N ATOM 1446 CA ALA A 91 2.944 3.023 -9.709 1.00 0.00 C ATOM 1447 C ALA A 91 2.090 2.410 -8.609 1.00 0.00 C ATOM 1448 O ALA A 91 0.880 2.564 -8.568 1.00 0.00 O ATOM 1449 CB ALA A 91 3.178 2.003 -10.825 1.00 0.00 C ATOM 0 H ALA A 91 4.919 2.657 -9.142 1.00 0.00 H new ATOM 0 HA ALA A 91 2.459 3.891 -10.155 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.225 1.743 -11.286 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.840 2.432 -11.577 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.635 1.106 -10.408 1.00 0.00 H new ATOM 1455 N VAL A 92 2.731 1.781 -7.654 1.00 0.00 N ATOM 1456 CA VAL A 92 1.980 1.254 -6.540 1.00 0.00 C ATOM 1457 C VAL A 92 1.285 2.453 -5.922 1.00 0.00 C ATOM 1458 O VAL A 92 0.088 2.611 -6.035 1.00 0.00 O ATOM 1459 CB VAL A 92 2.902 0.616 -5.504 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.113 0.364 -4.219 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.433 -0.712 -6.036 1.00 0.00 C ATOM 0 H VAL A 92 3.738 1.624 -7.623 1.00 0.00 H new ATOM 0 HA VAL A 92 1.283 0.483 -6.868 1.00 0.00 H new ATOM 0 HB VAL A 92 3.739 1.285 -5.302 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.766 -0.092 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.730 1.310 -3.836 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.279 -0.306 -4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.091 -1.164 -5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.598 -1.383 -6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.990 -0.539 -6.957 1.00 0.00 H new ATOM 1471 N LYS A 93 2.035 3.327 -5.293 1.00 0.00 N ATOM 1472 CA LYS A 93 1.435 4.512 -4.723 1.00 0.00 C ATOM 1473 C LYS A 93 0.503 5.116 -5.766 1.00 0.00 C ATOM 1474 O LYS A 93 -0.543 5.621 -5.422 1.00 0.00 O ATOM 1475 CB LYS A 93 2.536 5.514 -4.360 1.00 0.00 C ATOM 1476 CG LYS A 93 1.931 6.911 -4.153 1.00 0.00 C ATOM 1477 CD LYS A 93 2.955 7.972 -4.551 1.00 0.00 C ATOM 1478 CE LYS A 93 2.349 8.897 -5.606 1.00 0.00 C ATOM 1479 NZ LYS A 93 2.419 8.240 -6.942 1.00 0.00 N ATOM 0 H LYS A 93 3.043 3.244 -5.164 1.00 0.00 H new ATOM 0 HA LYS A 93 0.876 4.265 -3.821 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.047 5.192 -3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.284 5.547 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.027 7.020 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.641 7.043 -3.111 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.255 8.549 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.854 7.496 -4.943 1.00 0.00 H new ATOM 0 HE2 LYS A 93 1.313 9.124 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.887 9.845 -5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 2.117 8.912 -7.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.396 7.938 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.792 7.410 -6.954 1.00 0.00 H new ATOM 1493 N ASP A 94 0.879 5.064 -7.037 1.00 0.00 N ATOM 1494 CA ASP A 94 0.021 5.613 -8.079 1.00 0.00 C ATOM 1495 C ASP A 94 -1.371 5.002 -7.936 1.00 0.00 C ATOM 1496 O ASP A 94 -2.367 5.624 -8.250 1.00 0.00 O ATOM 1497 CB ASP A 94 0.586 5.284 -9.462 1.00 0.00 C ATOM 1498 CG ASP A 94 -0.083 6.177 -10.509 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -1.169 6.661 -10.239 1.00 0.00 O ATOM 1500 OD2 ASP A 94 0.503 6.361 -11.563 1.00 0.00 O ATOM 0 H ASP A 94 1.754 4.656 -7.367 1.00 0.00 H new ATOM 0 HA ASP A 94 -0.030 6.697 -7.975 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.665 5.438 -9.472 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.412 4.234 -9.698 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.451 3.788 -7.455 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.752 3.155 -7.268 1.00 0.00 C ATOM 1507 C LEU A 95 -3.239 3.417 -5.826 1.00 0.00 C ATOM 1508 O LEU A 95 -4.396 3.725 -5.591 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.630 1.648 -7.504 1.00 0.00 C ATOM 1510 CG LEU A 95 -3.020 1.325 -8.948 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -4.436 1.837 -9.222 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -2.040 2.007 -9.906 1.00 0.00 C ATOM 0 H LEU A 95 -0.650 3.217 -7.186 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.467 3.571 -7.978 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.609 1.320 -7.310 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.276 1.107 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.987 0.246 -9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -4.713 1.607 -10.251 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.136 1.354 -8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.469 2.916 -9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.317 1.777 -10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.073 3.086 -9.754 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.030 1.644 -9.713 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.354 3.295 -4.870 1.00 0.00 N ATOM 1525 CA LEU A 96 -2.701 3.516 -3.467 1.00 0.00 C ATOM 1526 C LEU A 96 -3.592 4.760 -3.281 1.00 0.00 C ATOM 1527 O LEU A 96 -4.752 4.658 -2.925 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.415 3.725 -2.677 1.00 0.00 C ATOM 1529 CG LEU A 96 -0.451 2.557 -2.914 1.00 0.00 C ATOM 1530 CD1 LEU A 96 0.622 2.558 -1.824 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.220 1.233 -2.867 1.00 0.00 C ATOM 0 H LEU A 96 -1.378 3.043 -5.027 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.254 2.645 -3.115 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.944 4.661 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.642 3.808 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 96 0.017 2.668 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.309 1.728 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.173 3.498 -1.857 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.149 2.448 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.531 0.406 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.690 1.120 -1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.987 1.230 -3.641 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.066 5.937 -3.511 1.00 0.00 N ATOM 1544 CA GLN A 97 -3.867 7.147 -3.350 1.00 0.00 C ATOM 1545 C GLN A 97 -5.065 7.143 -4.315 1.00 0.00 C ATOM 1546 O GLN A 97 -5.866 8.055 -4.320 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.014 8.380 -3.656 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.086 8.112 -4.848 1.00 0.00 C ATOM 1549 CD GLN A 97 -2.836 7.292 -5.890 1.00 0.00 C ATOM 1550 OE1 GLN A 97 -2.633 6.013 -5.940 1.00 0.00 O flip ATOM 1551 NE2 GLN A 97 -3.612 7.820 -6.662 1.00 0.00 N flip ATOM 0 H GLN A 97 -2.102 6.093 -3.806 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.226 7.175 -2.321 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.660 9.230 -3.875 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.422 8.646 -2.780 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.750 9.054 -5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -1.196 7.577 -4.518 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -3.769 8.827 -6.619 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -4.107 7.256 -7.353 1.00 0.00 H new ATOM 1560 N GLN A 98 -5.196 6.129 -5.123 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.312 6.070 -6.040 1.00 0.00 C ATOM 1562 C GLN A 98 -7.465 5.333 -5.355 1.00 0.00 C ATOM 1563 O GLN A 98 -8.614 5.710 -5.473 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.902 5.323 -7.311 1.00 0.00 C ATOM 1565 CG GLN A 98 -6.744 5.820 -8.486 1.00 0.00 C ATOM 1566 CD GLN A 98 -7.249 4.624 -9.296 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -7.015 4.538 -10.485 1.00 0.00 O ATOM 1568 NE2 GLN A 98 -7.937 3.691 -8.697 1.00 0.00 N ATOM 0 H GLN A 98 -4.555 5.337 -5.170 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.623 7.078 -6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.843 5.483 -7.515 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -6.042 4.250 -7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -7.587 6.407 -8.120 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -6.149 6.477 -9.121 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -8.133 3.763 -7.699 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -8.278 2.889 -9.227 1.00 0.00 H new ATOM 1577 N LEU A 99 -7.164 4.292 -4.621 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.222 3.564 -3.929 1.00 0.00 C ATOM 1579 C LEU A 99 -8.549 4.286 -2.624 1.00 0.00 C ATOM 1580 O LEU A 99 -9.640 4.183 -2.100 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.776 2.138 -3.570 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.571 1.718 -4.394 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.335 1.911 -3.540 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -6.690 0.243 -4.770 1.00 0.00 C ATOM 0 H LEU A 99 -6.221 3.928 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.086 3.517 -4.591 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.531 2.087 -2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.598 1.443 -3.741 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.513 2.314 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.452 1.617 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.250 2.959 -3.254 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.412 1.296 -2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -5.823 -0.053 -5.361 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -6.735 -0.361 -3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -7.597 0.088 -5.354 1.00 0.00 H new ATOM 1596 N LEU A 100 -7.600 4.998 -2.085 1.00 0.00 N ATOM 1597 CA LEU A 100 -7.828 5.687 -0.833 1.00 0.00 C ATOM 1598 C LEU A 100 -9.038 6.610 -0.988 1.00 0.00 C ATOM 1599 O LEU A 100 -9.842 6.742 -0.087 1.00 0.00 O ATOM 1600 CB LEU A 100 -6.574 6.481 -0.453 1.00 0.00 C ATOM 1601 CG LEU A 100 -5.501 5.520 0.067 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -4.319 6.321 0.614 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -6.085 4.644 1.179 1.00 0.00 C ATOM 0 H LEU A 100 -6.669 5.120 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.033 4.972 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.200 7.027 -1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.816 7.221 0.310 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.162 4.884 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.556 5.636 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.899 6.938 -0.180 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.659 6.960 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -5.318 3.962 1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -6.430 5.276 1.997 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.924 4.069 0.787 1.00 0.00 H new ATOM 1615 N PRO A 101 -9.139 7.190 -2.151 1.00 0.00 N ATOM 1616 CA PRO A 101 -10.289 8.072 -2.433 1.00 0.00 C ATOM 1617 C PRO A 101 -11.581 7.254 -2.551 1.00 0.00 C ATOM 1618 O PRO A 101 -12.657 7.794 -2.722 1.00 0.00 O ATOM 1619 CB PRO A 101 -9.946 8.718 -3.775 1.00 0.00 C ATOM 1620 CG PRO A 101 -8.431 8.570 -3.977 1.00 0.00 C ATOM 1621 CD PRO A 101 -7.946 7.543 -2.953 1.00 0.00 C ATOM 0 HA PRO A 101 -10.455 8.804 -1.643 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.491 8.234 -4.585 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -10.234 9.769 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -8.207 8.240 -4.991 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.927 9.526 -3.834 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -7.530 6.664 -3.446 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -7.159 7.958 -2.324 1.00 0.00 H new ATOM 1629 N LYS A 102 -11.479 5.957 -2.478 1.00 0.00 N ATOM 1630 CA LYS A 102 -12.658 5.116 -2.601 1.00 0.00 C ATOM 1631 C LYS A 102 -13.342 4.955 -1.242 1.00 0.00 C ATOM 1632 O LYS A 102 -14.537 4.751 -1.159 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.226 3.737 -3.091 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.441 2.952 -3.583 1.00 0.00 C ATOM 1635 CD LYS A 102 -12.969 1.689 -4.306 1.00 0.00 C ATOM 1636 CE LYS A 102 -13.144 1.869 -5.815 1.00 0.00 C ATOM 1637 NZ LYS A 102 -11.945 2.552 -6.377 1.00 0.00 N ATOM 0 H LYS A 102 -10.604 5.453 -2.335 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.353 5.578 -3.301 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.499 3.840 -3.896 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.734 3.193 -2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.081 2.686 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.038 3.568 -4.255 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.923 1.492 -4.071 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.540 0.826 -3.963 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.281 0.900 -6.294 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.039 2.456 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.018 2.584 -7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.891 3.521 -6.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.088 2.029 -6.106 1.00 0.00 H new ATOM 1651 N PHE A 103 -12.591 5.008 -0.180 1.00 0.00 N ATOM 1652 CA PHE A 103 -13.182 4.821 1.136 1.00 0.00 C ATOM 1653 C PHE A 103 -12.896 6.043 2.011 1.00 0.00 C ATOM 1654 O PHE A 103 -13.283 6.099 3.161 1.00 0.00 O ATOM 1655 CB PHE A 103 -12.590 3.562 1.794 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.569 2.949 0.867 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -10.239 3.378 0.916 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -11.963 1.980 -0.061 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -9.297 2.831 0.039 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -11.024 1.437 -0.943 1.00 0.00 C ATOM 1661 CZ PHE A 103 -9.691 1.860 -0.893 1.00 0.00 C ATOM 0 H PHE A 103 -11.585 5.175 -0.185 1.00 0.00 H new ATOM 0 HA PHE A 103 -14.260 4.701 1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -12.126 3.819 2.746 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.381 2.844 2.009 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -9.940 4.131 1.630 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -12.991 1.652 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -8.268 3.156 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -11.327 0.691 -1.663 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.965 1.438 -1.573 1.00 0.00 H new