USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 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 Set 1.1: A 93 LYS NZ :NH3+ 138:sc= 0.902 (180deg=-0.842!) USER MOD Set 1.2: A 97 GLN : amide:sc= -10.8! C(o=-9.9!,f=-21!) USER MOD Set 2.1: A 62 LYS NZ :NH3+ -115:sc= -3.07! (180deg=-1.07) USER MOD Set 2.2: A 78 HIS : no HE2:sc= -31.2! C(o=-34!,f=-39!) 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 :FLIP amide:sc= -13.7! C(o=-17!,f=-14!) USER MOD Single : A 18 LYS NZ :NH3+ -154:sc=-0.00455 (180deg=-0.405) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 0.00881 (180deg=-0.215) USER MOD Single : A 20 GLN : amide:sc= -1.18 K(o=-1.2,f=-4.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.267 USER MOD Single : A 27 MET CE :methyl -121:sc= -9.28! (180deg=-14.2!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.194 USER MOD Single : A 45 HIS :FLIP no HE2:sc= -12.5! C(o=-15!,f=-12!) USER MOD Single : A 46 MET CE :methyl -145:sc= -1.94 (180deg=-4.16!) USER MOD Single : A 47 TYR OH : rot 100:sc= -6.5! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -5.91! C(o=-5.9!,f=-6.3!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 HIS : no HE2:sc= -9.59! C(o=-9.6!,f=-12!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -170:sc= -1.69! USER MOD Single : A 76 ASN :FLIP amide:sc= -3.37 F(o=-8.1!,f=-3.4) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.122 F(o=-0.64,f=-0.12) USER MOD Single : A 102 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0151) USER MOD ----------------------------------------------------------------- ATOM 96 N VAL A 8 -8.716 -7.037 -7.025 1.00 0.00 N ATOM 97 CA VAL A 8 -7.577 -6.293 -6.532 1.00 0.00 C ATOM 98 C VAL A 8 -6.922 -5.541 -7.690 1.00 0.00 C ATOM 99 O VAL A 8 -7.069 -5.894 -8.843 1.00 0.00 O ATOM 100 CB VAL A 8 -6.568 -7.264 -5.873 1.00 0.00 C ATOM 101 CG1 VAL A 8 -7.292 -8.530 -5.403 1.00 0.00 C ATOM 102 CG2 VAL A 8 -5.473 -7.672 -6.868 1.00 0.00 C ATOM 0 HA VAL A 8 -7.903 -5.571 -5.784 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.114 -6.751 -5.025 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.575 -9.208 -4.940 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.059 -8.262 -4.677 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.757 -9.021 -6.257 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.776 -8.354 -6.382 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.927 -8.168 -7.726 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.937 -6.784 -7.204 1.00 0.00 H new ATOM 112 N LEU A 9 -6.244 -4.474 -7.386 1.00 0.00 N ATOM 113 CA LEU A 9 -5.645 -3.679 -8.441 1.00 0.00 C ATOM 114 C LEU A 9 -4.142 -3.987 -8.638 1.00 0.00 C ATOM 115 O LEU A 9 -3.639 -3.816 -9.730 1.00 0.00 O ATOM 116 CB LEU A 9 -5.819 -2.196 -8.102 1.00 0.00 C ATOM 117 CG LEU A 9 -4.935 -1.352 -9.022 1.00 0.00 C ATOM 118 CD1 LEU A 9 -5.377 -1.546 -10.473 1.00 0.00 C ATOM 119 CD2 LEU A 9 -5.068 0.125 -8.643 1.00 0.00 C ATOM 0 H LEU A 9 -6.088 -4.131 -6.438 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.150 -3.930 -9.374 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.863 -1.906 -8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.553 -2.017 -7.060 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.896 -1.664 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.747 -0.945 -11.129 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.284 -2.598 -10.744 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.416 -1.234 -10.582 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.438 0.727 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.107 0.436 -8.752 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.754 0.265 -7.609 1.00 0.00 H new ATOM 131 N LEU A 10 -3.398 -4.436 -7.651 1.00 0.00 N ATOM 132 CA LEU A 10 -1.996 -4.705 -7.934 1.00 0.00 C ATOM 133 C LEU A 10 -1.324 -5.365 -6.736 1.00 0.00 C ATOM 134 O LEU A 10 -1.801 -5.290 -5.627 1.00 0.00 O ATOM 135 CB LEU A 10 -1.280 -3.394 -8.258 1.00 0.00 C ATOM 136 CG LEU A 10 0.143 -3.692 -8.732 1.00 0.00 C ATOM 137 CD1 LEU A 10 0.091 -4.531 -10.010 1.00 0.00 C ATOM 138 CD2 LEU A 10 0.870 -2.375 -9.018 1.00 0.00 C ATOM 0 H LEU A 10 -3.710 -4.616 -6.697 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.936 -5.381 -8.787 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.825 -2.851 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.254 -2.754 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 10 0.676 -4.243 -7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.105 -4.743 -10.348 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.428 -5.468 -9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.442 -3.980 -10.785 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.885 -2.585 -9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.336 -1.825 -9.793 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.908 -1.775 -8.109 1.00 0.00 H new ATOM 150 N ILE A 11 -0.209 -6.009 -6.956 1.00 0.00 N ATOM 151 CA ILE A 11 0.499 -6.658 -5.872 1.00 0.00 C ATOM 152 C ILE A 11 1.995 -6.427 -6.088 1.00 0.00 C ATOM 153 O ILE A 11 2.502 -6.608 -7.178 1.00 0.00 O ATOM 154 CB ILE A 11 0.205 -8.162 -5.910 1.00 0.00 C ATOM 155 CG1 ILE A 11 1.247 -8.933 -5.059 1.00 0.00 C ATOM 156 CG2 ILE A 11 0.250 -8.631 -7.370 1.00 0.00 C ATOM 157 CD1 ILE A 11 1.570 -10.294 -5.691 1.00 0.00 C ATOM 0 H ILE A 11 0.232 -6.101 -7.871 1.00 0.00 H new ATOM 0 HA ILE A 11 0.185 -6.256 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 11 -0.782 -8.359 -5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.159 -8.343 -4.971 1.00 0.00 H new ATOM 0 HG13 ILE A 11 0.862 -9.078 -4.049 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.043 -9.700 -7.415 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.500 -8.091 -7.949 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.239 -8.435 -7.785 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.303 -10.816 -5.076 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.660 -10.890 -5.755 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.977 -10.143 -6.691 1.00 0.00 H new ATOM 169 N VAL A 12 2.715 -6.044 -5.074 1.00 0.00 N ATOM 170 CA VAL A 12 4.135 -5.834 -5.260 1.00 0.00 C ATOM 171 C VAL A 12 4.917 -6.826 -4.396 1.00 0.00 C ATOM 172 O VAL A 12 5.152 -6.617 -3.222 1.00 0.00 O ATOM 173 CB VAL A 12 4.537 -4.396 -4.900 1.00 0.00 C ATOM 174 CG1 VAL A 12 4.783 -3.602 -6.184 1.00 0.00 C ATOM 175 CG2 VAL A 12 3.432 -3.705 -4.099 1.00 0.00 C ATOM 0 H VAL A 12 2.363 -5.873 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 12 4.371 -5.996 -6.312 1.00 0.00 H new ATOM 0 HB VAL A 12 5.443 -4.434 -4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.068 -2.581 -5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 12 5.584 -4.072 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.872 -3.586 -6.782 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.740 -2.688 -3.856 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.518 -3.675 -4.691 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.250 -4.259 -3.178 1.00 0.00 H new ATOM 185 N LYS A 13 5.317 -7.906 -5.001 1.00 0.00 N ATOM 186 CA LYS A 13 6.078 -8.946 -4.319 1.00 0.00 C ATOM 187 C LYS A 13 7.260 -8.357 -3.571 1.00 0.00 C ATOM 188 O LYS A 13 7.807 -8.950 -2.664 1.00 0.00 O ATOM 189 CB LYS A 13 6.627 -9.901 -5.360 1.00 0.00 C ATOM 190 CG LYS A 13 5.482 -10.524 -6.151 1.00 0.00 C ATOM 191 CD LYS A 13 5.494 -9.951 -7.569 1.00 0.00 C ATOM 192 CE LYS A 13 4.299 -10.494 -8.354 1.00 0.00 C ATOM 193 NZ LYS A 13 4.642 -10.550 -9.803 1.00 0.00 N ATOM 0 H LYS A 13 5.131 -8.104 -5.984 1.00 0.00 H new ATOM 0 HA LYS A 13 5.417 -9.449 -3.613 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.299 -9.370 -6.034 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.213 -10.682 -4.876 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.590 -11.608 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.529 -10.312 -5.666 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.453 -8.862 -7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.424 -10.218 -8.072 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.034 -11.488 -7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.429 -9.856 -8.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.830 -10.919 -10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.874 -9.595 -10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.461 -11.175 -9.942 1.00 0.00 H new ATOM 207 N LYS A 14 7.643 -7.195 -3.939 1.00 0.00 N ATOM 208 CA LYS A 14 8.749 -6.557 -3.266 1.00 0.00 C ATOM 209 C LYS A 14 8.242 -5.332 -2.507 1.00 0.00 C ATOM 210 O LYS A 14 7.931 -4.319 -3.098 1.00 0.00 O ATOM 211 CB LYS A 14 9.801 -6.129 -4.289 1.00 0.00 C ATOM 212 CG LYS A 14 11.180 -6.580 -3.808 1.00 0.00 C ATOM 213 CD LYS A 14 11.210 -8.106 -3.706 1.00 0.00 C ATOM 214 CE LYS A 14 12.658 -8.595 -3.780 1.00 0.00 C ATOM 215 NZ LYS A 14 13.083 -9.091 -2.441 1.00 0.00 N ATOM 0 H LYS A 14 7.223 -6.654 -4.695 1.00 0.00 H new ATOM 0 HA LYS A 14 9.199 -7.260 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.580 -6.568 -5.262 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.783 -5.047 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.949 -6.236 -4.500 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.402 -6.135 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.754 -8.427 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.625 -8.546 -4.513 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.747 -9.391 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.311 -7.784 -4.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.067 -9.424 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.013 -8.320 -1.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.466 -9.876 -2.150 1.00 0.00 H new ATOM 229 N VAL A 15 8.238 -5.383 -1.198 1.00 0.00 N ATOM 230 CA VAL A 15 7.850 -4.211 -0.472 1.00 0.00 C ATOM 231 C VAL A 15 8.562 -4.209 0.846 1.00 0.00 C ATOM 232 O VAL A 15 8.810 -5.234 1.445 1.00 0.00 O ATOM 233 CB VAL A 15 6.341 -4.132 -0.293 1.00 0.00 C ATOM 234 CG1 VAL A 15 6.002 -3.034 0.713 1.00 0.00 C ATOM 235 CG2 VAL A 15 5.720 -3.759 -1.627 1.00 0.00 C ATOM 0 H VAL A 15 8.490 -6.195 -0.634 1.00 0.00 H new ATOM 0 HA VAL A 15 8.134 -3.325 -1.040 1.00 0.00 H new ATOM 0 HB VAL A 15 5.962 -5.091 0.062 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.921 -2.978 0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.469 -3.262 1.671 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.374 -2.077 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.637 -3.697 -1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.108 -2.794 -1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.968 -4.518 -2.369 1.00 0.00 H new ATOM 245 N ARG A 16 8.913 -3.064 1.288 1.00 0.00 N ATOM 246 CA ARG A 16 9.613 -2.967 2.518 1.00 0.00 C ATOM 247 C ARG A 16 8.867 -2.020 3.406 1.00 0.00 C ATOM 248 O ARG A 16 8.316 -1.053 2.962 1.00 0.00 O ATOM 249 CB ARG A 16 11.026 -2.475 2.214 1.00 0.00 C ATOM 250 CG ARG A 16 11.547 -1.507 3.276 1.00 0.00 C ATOM 251 CD ARG A 16 13.084 -1.554 3.308 1.00 0.00 C ATOM 252 NE ARG A 16 13.623 -1.974 2.015 1.00 0.00 N ATOM 253 CZ ARG A 16 14.880 -1.748 1.729 1.00 0.00 C ATOM 254 NH1 ARG A 16 15.658 -1.152 2.593 1.00 0.00 N ATOM 255 NH2 ARG A 16 15.361 -2.124 0.575 1.00 0.00 N ATOM 0 H ARG A 16 8.729 -2.176 0.820 1.00 0.00 H new ATOM 0 HA ARG A 16 9.685 -3.927 3.030 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.698 -3.330 2.144 1.00 0.00 H new ATOM 0 HB3 ARG A 16 11.035 -1.983 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.209 -0.494 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 16 11.145 -1.773 4.254 1.00 0.00 H new ATOM 0 HD2 ARG A 16 13.476 -0.571 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 16 13.414 -2.244 4.085 1.00 0.00 H new ATOM 0 HE ARG A 16 13.021 -2.442 1.338 1.00 0.00 H new ATOM 0 HH11 ARG A 16 15.287 -0.860 3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 16 16.637 -0.979 2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 16 14.758 -2.592 -0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.340 -1.949 0.349 1.00 0.00 H new ATOM 269 N GLN A 17 8.828 -2.298 4.653 1.00 0.00 N ATOM 270 CA GLN A 17 8.132 -1.419 5.529 1.00 0.00 C ATOM 271 C GLN A 17 8.959 -1.320 6.804 1.00 0.00 C ATOM 272 O GLN A 17 9.554 -2.287 7.233 1.00 0.00 O ATOM 273 CB GLN A 17 6.717 -1.960 5.769 1.00 0.00 C ATOM 274 CG GLN A 17 6.778 -3.446 6.115 1.00 0.00 C ATOM 275 CD GLN A 17 5.408 -3.923 6.608 1.00 0.00 C ATOM 276 OE1 GLN A 17 4.672 -3.134 7.345 1.00 0.00 O flip ATOM 277 NE2 GLN A 17 5.000 -5.029 6.318 1.00 0.00 N flip ATOM 0 H GLN A 17 9.260 -3.111 5.091 1.00 0.00 H new ATOM 0 HA GLN A 17 8.011 -0.419 5.112 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.241 -1.409 6.580 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.106 -1.810 4.879 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.079 -4.020 5.239 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.531 -3.619 6.884 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.571 -5.649 5.743 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.086 -5.339 6.649 1.00 0.00 H new ATOM 286 N LYS A 18 9.114 -0.128 7.318 1.00 0.00 N ATOM 287 CA LYS A 18 10.001 0.088 8.456 1.00 0.00 C ATOM 288 C LYS A 18 9.964 -1.094 9.434 1.00 0.00 C ATOM 289 O LYS A 18 10.909 -1.317 10.163 1.00 0.00 O ATOM 290 CB LYS A 18 9.578 1.361 9.190 1.00 0.00 C ATOM 291 CG LYS A 18 10.660 2.430 9.021 1.00 0.00 C ATOM 292 CD LYS A 18 10.750 3.274 10.292 1.00 0.00 C ATOM 293 CE LYS A 18 12.063 2.968 11.015 1.00 0.00 C ATOM 294 NZ LYS A 18 12.130 1.514 11.331 1.00 0.00 N ATOM 0 H LYS A 18 8.645 0.711 6.977 1.00 0.00 H new ATOM 0 HA LYS A 18 11.019 0.184 8.078 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.629 1.723 8.795 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.423 1.149 10.248 1.00 0.00 H new ATOM 0 HG2 LYS A 18 11.622 1.959 8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.427 3.065 8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.698 4.334 10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.904 3.059 10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.909 3.255 10.391 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.130 3.554 11.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.743 1.366 12.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.175 1.160 11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.519 0.999 10.516 1.00 0.00 H new ATOM 308 N LYS A 19 8.927 -1.879 9.444 1.00 0.00 N ATOM 309 CA LYS A 19 8.919 -3.014 10.334 1.00 0.00 C ATOM 310 C LYS A 19 9.709 -4.182 9.703 1.00 0.00 C ATOM 311 O LYS A 19 10.531 -4.817 10.333 1.00 0.00 O ATOM 312 CB LYS A 19 7.454 -3.464 10.598 1.00 0.00 C ATOM 313 CG LYS A 19 6.788 -4.050 9.322 1.00 0.00 C ATOM 314 CD LYS A 19 5.322 -4.384 9.596 1.00 0.00 C ATOM 315 CE LYS A 19 5.215 -5.212 10.877 1.00 0.00 C ATOM 316 NZ LYS A 19 5.967 -6.487 10.708 1.00 0.00 N ATOM 0 H LYS A 19 8.095 -1.765 8.865 1.00 0.00 H new ATOM 0 HA LYS A 19 9.387 -2.729 11.276 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.442 -4.213 11.390 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.872 -2.614 10.953 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.858 -3.332 8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.320 -4.947 9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.742 -3.466 9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.902 -4.938 8.757 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.616 -4.650 11.721 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.169 -5.421 11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.694 -7.153 11.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.745 -6.900 9.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.988 -6.298 10.768 1.00 0.00 H new ATOM 330 N GLN A 20 9.348 -4.526 8.505 1.00 0.00 N ATOM 331 CA GLN A 20 9.898 -5.683 7.841 1.00 0.00 C ATOM 332 C GLN A 20 9.882 -5.473 6.329 1.00 0.00 C ATOM 333 O GLN A 20 9.216 -4.590 5.824 1.00 0.00 O ATOM 334 CB GLN A 20 9.045 -6.896 8.240 1.00 0.00 C ATOM 335 CG GLN A 20 9.183 -8.040 7.228 1.00 0.00 C ATOM 336 CD GLN A 20 10.518 -8.757 7.436 1.00 0.00 C ATOM 337 OE1 GLN A 20 11.358 -8.297 8.183 1.00 0.00 O ATOM 338 NE2 GLN A 20 10.750 -9.873 6.802 1.00 0.00 N ATOM 0 H GLN A 20 8.661 -4.014 7.952 1.00 0.00 H new ATOM 0 HA GLN A 20 10.934 -5.847 8.137 1.00 0.00 H new ATOM 0 HB2 GLN A 20 9.347 -7.245 9.228 1.00 0.00 H new ATOM 0 HB3 GLN A 20 7.999 -6.598 8.313 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.359 -8.744 7.346 1.00 0.00 H new ATOM 0 HG3 GLN A 20 9.124 -7.649 6.212 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.045 -10.259 6.175 1.00 0.00 H new ATOM 0 HE22 GLN A 20 11.637 -10.359 6.934 1.00 0.00 H new ATOM 347 N ASP A 21 10.547 -6.315 5.595 1.00 0.00 N ATOM 348 CA ASP A 21 10.485 -6.191 4.166 1.00 0.00 C ATOM 349 C ASP A 21 9.581 -7.354 3.804 1.00 0.00 C ATOM 350 O ASP A 21 9.698 -8.443 4.329 1.00 0.00 O ATOM 351 CB ASP A 21 11.865 -6.335 3.510 1.00 0.00 C ATOM 352 CG ASP A 21 12.900 -5.548 4.316 1.00 0.00 C ATOM 353 OD1 ASP A 21 12.979 -5.766 5.514 1.00 0.00 O ATOM 354 OD2 ASP A 21 13.596 -4.742 3.722 1.00 0.00 O ATOM 0 H ASP A 21 11.125 -7.077 5.948 1.00 0.00 H new ATOM 0 HA ASP A 21 10.129 -5.218 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.149 -7.386 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.832 -5.967 2.484 1.00 0.00 H new ATOM 359 N GLY A 22 8.625 -7.101 2.959 1.00 0.00 N ATOM 360 CA GLY A 22 7.670 -8.121 2.622 1.00 0.00 C ATOM 361 C GLY A 22 6.935 -7.768 1.339 1.00 0.00 C ATOM 362 O GLY A 22 7.006 -6.650 0.855 1.00 0.00 O ATOM 0 H GLY A 22 8.484 -6.205 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.179 -9.078 2.504 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.955 -8.239 3.436 1.00 0.00 H new ATOM 366 N ALA A 23 6.251 -8.710 0.765 1.00 0.00 N ATOM 367 CA ALA A 23 5.530 -8.433 -0.446 1.00 0.00 C ATOM 368 C ALA A 23 4.157 -7.857 -0.093 1.00 0.00 C ATOM 369 O ALA A 23 3.481 -8.292 0.817 1.00 0.00 O ATOM 370 CB ALA A 23 5.349 -9.723 -1.248 1.00 0.00 C ATOM 0 H ALA A 23 6.175 -9.668 1.108 1.00 0.00 H new ATOM 0 HA ALA A 23 6.090 -7.714 -1.045 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.802 -9.507 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.326 -10.137 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.790 -10.446 -0.653 1.00 0.00 H new ATOM 376 N LEU A 24 3.818 -6.808 -0.770 1.00 0.00 N ATOM 377 CA LEU A 24 2.592 -6.096 -0.467 1.00 0.00 C ATOM 378 C LEU A 24 1.559 -6.337 -1.563 1.00 0.00 C ATOM 379 O LEU A 24 1.868 -6.394 -2.733 1.00 0.00 O ATOM 380 CB LEU A 24 2.918 -4.605 -0.432 1.00 0.00 C ATOM 381 CG LEU A 24 2.606 -3.991 0.919 1.00 0.00 C ATOM 382 CD1 LEU A 24 2.511 -2.475 0.742 1.00 0.00 C ATOM 383 CD2 LEU A 24 1.278 -4.515 1.457 1.00 0.00 C ATOM 0 H LEU A 24 4.363 -6.416 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 24 2.190 -6.441 0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.973 -4.458 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.348 -4.090 -1.205 1.00 0.00 H new ATOM 0 HG LEU A 24 3.392 -4.254 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.287 -2.010 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.460 -2.092 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.718 -2.241 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.074 -4.061 2.427 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.478 -4.260 0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.332 -5.598 1.567 1.00 0.00 H new ATOM 395 N TYR A 25 0.324 -6.481 -1.170 1.00 0.00 N ATOM 396 CA TYR A 25 -0.741 -6.714 -2.122 1.00 0.00 C ATOM 397 C TYR A 25 -1.699 -5.532 -2.057 1.00 0.00 C ATOM 398 O TYR A 25 -2.063 -5.093 -0.984 1.00 0.00 O ATOM 399 CB TYR A 25 -1.513 -7.976 -1.722 1.00 0.00 C ATOM 400 CG TYR A 25 -0.913 -9.194 -2.375 1.00 0.00 C ATOM 401 CD1 TYR A 25 -1.362 -9.601 -3.635 1.00 0.00 C ATOM 402 CD2 TYR A 25 0.082 -9.922 -1.715 1.00 0.00 C ATOM 403 CE1 TYR A 25 -0.813 -10.739 -4.237 1.00 0.00 C ATOM 404 CE2 TYR A 25 0.630 -11.061 -2.314 1.00 0.00 C ATOM 405 CZ TYR A 25 0.182 -11.470 -3.576 1.00 0.00 C ATOM 406 OH TYR A 25 0.722 -12.594 -4.168 1.00 0.00 O ATOM 0 H TYR A 25 0.024 -6.442 -0.196 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.327 -6.832 -3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.495 -8.092 -0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.558 -7.877 -2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.131 -9.038 -4.143 1.00 0.00 H new ATOM 0 HD2 TYR A 25 0.427 -9.605 -0.742 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -1.157 -11.053 -5.211 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.398 -11.624 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 25 1.400 -12.982 -3.576 1.00 0.00 H new ATOM 416 N LEU A 26 -2.142 -5.016 -3.165 1.00 0.00 N ATOM 417 CA LEU A 26 -3.073 -3.915 -3.111 1.00 0.00 C ATOM 418 C LEU A 26 -4.411 -4.423 -3.642 1.00 0.00 C ATOM 419 O LEU A 26 -4.468 -5.102 -4.659 1.00 0.00 O ATOM 420 CB LEU A 26 -2.565 -2.763 -3.982 1.00 0.00 C ATOM 421 CG LEU A 26 -3.561 -1.603 -3.929 1.00 0.00 C ATOM 422 CD1 LEU A 26 -2.844 -0.334 -3.465 1.00 0.00 C ATOM 423 CD2 LEU A 26 -4.145 -1.371 -5.323 1.00 0.00 C ATOM 0 H LEU A 26 -1.884 -5.327 -4.101 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.181 -3.548 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.587 -2.432 -3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.438 -3.100 -5.011 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.362 -1.845 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.554 0.492 -3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.423 -0.496 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.043 -0.092 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.855 -0.545 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.341 -1.129 -6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.656 -2.274 -5.658 1.00 0.00 H new ATOM 435 N MET A 27 -5.486 -4.064 -2.993 1.00 0.00 N ATOM 436 CA MET A 27 -6.791 -4.480 -3.441 1.00 0.00 C ATOM 437 C MET A 27 -7.692 -3.253 -3.397 1.00 0.00 C ATOM 438 O MET A 27 -7.611 -2.463 -2.476 1.00 0.00 O ATOM 439 CB MET A 27 -7.326 -5.561 -2.496 1.00 0.00 C ATOM 440 CG MET A 27 -8.653 -6.106 -3.024 1.00 0.00 C ATOM 441 SD MET A 27 -8.680 -7.908 -2.854 1.00 0.00 S ATOM 442 CE MET A 27 -8.110 -7.992 -1.139 1.00 0.00 C ATOM 0 H MET A 27 -5.486 -3.485 -2.153 1.00 0.00 H new ATOM 0 HA MET A 27 -6.754 -4.890 -4.450 1.00 0.00 H new ATOM 0 HB2 MET A 27 -6.601 -6.370 -2.407 1.00 0.00 H new ATOM 0 HB3 MET A 27 -7.465 -5.147 -1.497 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.484 -5.666 -2.472 1.00 0.00 H new ATOM 0 HG3 MET A 27 -8.782 -5.827 -4.070 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.191 -8.576 -1.089 1.00 0.00 H new ATOM 0 HE2 MET A 27 -7.920 -6.984 -0.769 1.00 0.00 H new ATOM 0 HE3 MET A 27 -8.875 -8.466 -0.524 1.00 0.00 H new ATOM 452 N ALA A 28 -8.527 -3.073 -4.385 1.00 0.00 N ATOM 453 CA ALA A 28 -9.392 -1.905 -4.415 1.00 0.00 C ATOM 454 C ALA A 28 -9.867 -1.563 -3.001 1.00 0.00 C ATOM 455 O ALA A 28 -9.743 -0.443 -2.547 1.00 0.00 O ATOM 456 CB ALA A 28 -10.608 -2.213 -5.295 1.00 0.00 C ATOM 0 H ALA A 28 -8.633 -3.708 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.839 -1.056 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.265 -1.344 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -10.275 -2.452 -6.305 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -11.150 -3.063 -4.881 1.00 0.00 H new ATOM 462 N GLU A 29 -10.476 -2.496 -2.340 1.00 0.00 N ATOM 463 CA GLU A 29 -11.021 -2.196 -1.034 1.00 0.00 C ATOM 464 C GLU A 29 -10.013 -2.382 0.102 1.00 0.00 C ATOM 465 O GLU A 29 -10.273 -1.942 1.200 1.00 0.00 O ATOM 466 CB GLU A 29 -12.209 -3.108 -0.764 1.00 0.00 C ATOM 467 CG GLU A 29 -13.000 -2.575 0.432 1.00 0.00 C ATOM 468 CD GLU A 29 -14.295 -1.928 -0.060 1.00 0.00 C ATOM 469 OE1 GLU A 29 -15.238 -2.659 -0.318 1.00 0.00 O ATOM 470 OE2 GLU A 29 -14.323 -0.714 -0.173 1.00 0.00 O ATOM 0 H GLU A 29 -10.612 -3.453 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.310 -1.145 -1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.850 -3.158 -1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.864 -4.122 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -13.226 -3.387 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -12.403 -1.847 0.981 1.00 0.00 H new ATOM 477 N ARG A 30 -8.892 -3.027 -0.079 1.00 0.00 N ATOM 478 CA ARG A 30 -8.013 -3.172 1.073 1.00 0.00 C ATOM 479 C ARG A 30 -6.566 -3.463 0.670 1.00 0.00 C ATOM 480 O ARG A 30 -6.263 -3.853 -0.439 1.00 0.00 O ATOM 481 CB ARG A 30 -8.502 -4.332 1.941 1.00 0.00 C ATOM 482 CG ARG A 30 -8.212 -5.651 1.250 1.00 0.00 C ATOM 483 CD ARG A 30 -9.529 -6.350 0.932 1.00 0.00 C ATOM 484 NE ARG A 30 -10.060 -5.814 -0.310 1.00 0.00 N ATOM 485 CZ ARG A 30 -11.086 -6.388 -0.886 1.00 0.00 C ATOM 486 NH1 ARG A 30 -11.616 -7.461 -0.361 1.00 0.00 N ATOM 487 NH2 ARG A 30 -11.585 -5.892 -1.985 1.00 0.00 N ATOM 0 H ARG A 30 -8.569 -3.442 -0.953 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.038 -2.227 1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.008 -4.304 2.912 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.572 -4.235 2.124 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.647 -5.479 0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.596 -6.283 1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.373 -7.425 0.842 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.241 -6.198 1.743 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.633 -4.990 -0.733 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.230 -7.852 0.498 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.415 -7.907 -0.811 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -11.176 -5.054 -2.398 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.384 -6.342 -2.431 1.00 0.00 H new ATOM 501 N ILE A 31 -5.679 -3.278 1.606 1.00 0.00 N ATOM 502 CA ILE A 31 -4.267 -3.537 1.359 1.00 0.00 C ATOM 503 C ILE A 31 -3.844 -4.782 2.148 1.00 0.00 C ATOM 504 O ILE A 31 -4.002 -4.844 3.349 1.00 0.00 O ATOM 505 CB ILE A 31 -3.430 -2.316 1.786 1.00 0.00 C ATOM 506 CG1 ILE A 31 -3.231 -1.403 0.574 1.00 0.00 C ATOM 507 CG2 ILE A 31 -2.057 -2.750 2.319 1.00 0.00 C ATOM 508 CD1 ILE A 31 -2.189 -2.008 -0.370 1.00 0.00 C ATOM 0 H ILE A 31 -5.895 -2.950 2.547 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.101 -3.712 0.296 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.959 -1.789 2.580 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.177 -1.271 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.907 -0.415 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.486 -1.869 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.191 -3.401 3.183 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.518 -3.288 1.540 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.053 -1.352 -1.230 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.241 -2.117 0.157 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.530 -2.986 -0.710 1.00 0.00 H new ATOM 520 N ALA A 32 -3.302 -5.766 1.479 1.00 0.00 N ATOM 521 CA ALA A 32 -2.880 -6.975 2.166 1.00 0.00 C ATOM 522 C ALA A 32 -1.364 -7.044 2.195 1.00 0.00 C ATOM 523 O ALA A 32 -0.687 -6.484 1.355 1.00 0.00 O ATOM 524 CB ALA A 32 -3.437 -8.200 1.439 1.00 0.00 C ATOM 0 H ALA A 32 -3.141 -5.763 0.472 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.259 -6.959 3.188 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.119 -9.106 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.526 -8.152 1.427 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.063 -8.217 0.415 1.00 0.00 H new ATOM 530 N TRP A 33 -0.819 -7.718 3.167 1.00 0.00 N ATOM 531 CA TRP A 33 0.620 -7.799 3.241 1.00 0.00 C ATOM 532 C TRP A 33 1.083 -9.228 3.465 1.00 0.00 C ATOM 533 O TRP A 33 0.494 -9.992 4.202 1.00 0.00 O ATOM 534 CB TRP A 33 1.146 -6.947 4.379 1.00 0.00 C ATOM 535 CG TRP A 33 2.629 -6.967 4.324 1.00 0.00 C ATOM 536 CD1 TRP A 33 3.359 -6.733 3.213 1.00 0.00 C ATOM 537 CD2 TRP A 33 3.587 -7.266 5.381 1.00 0.00 C ATOM 538 NE1 TRP A 33 4.694 -6.782 3.556 1.00 0.00 N ATOM 539 CE2 TRP A 33 4.884 -7.130 4.851 1.00 0.00 C ATOM 540 CE3 TRP A 33 3.467 -7.616 6.733 1.00 0.00 C ATOM 541 CZ2 TRP A 33 6.021 -7.328 5.607 1.00 0.00 C ATOM 542 CZ3 TRP A 33 4.615 -7.833 7.508 1.00 0.00 C ATOM 543 CH2 TRP A 33 5.892 -7.686 6.944 1.00 0.00 C ATOM 0 H TRP A 33 -1.328 -8.208 3.903 1.00 0.00 H new ATOM 0 HA TRP A 33 1.008 -7.436 2.289 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.776 -5.925 4.292 1.00 0.00 H new ATOM 0 HB3 TRP A 33 0.796 -7.333 5.336 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.966 -6.541 2.226 1.00 0.00 H new ATOM 0 HE1 TRP A 33 5.454 -6.579 2.907 1.00 0.00 H new ATOM 0 HE3 TRP A 33 2.489 -7.719 7.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.999 -7.206 5.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 4.516 -8.115 8.546 1.00 0.00 H new ATOM 0 HH2 TRP A 33 6.772 -7.851 7.548 1.00 0.00 H new ATOM 554 N ALA A 34 2.150 -9.577 2.820 1.00 0.00 N ATOM 555 CA ALA A 34 2.692 -10.908 2.957 1.00 0.00 C ATOM 556 C ALA A 34 4.206 -10.883 2.733 1.00 0.00 C ATOM 557 O ALA A 34 4.668 -10.557 1.658 1.00 0.00 O ATOM 558 CB ALA A 34 2.031 -11.817 1.937 1.00 0.00 C ATOM 0 H ALA A 34 2.670 -8.965 2.191 1.00 0.00 H new ATOM 0 HA ALA A 34 2.496 -11.282 3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.434 -12.825 2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.955 -11.838 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.228 -11.441 0.933 1.00 0.00 H new ATOM 564 N PRO A 35 4.929 -11.240 3.760 1.00 0.00 N ATOM 565 CA PRO A 35 6.403 -11.254 3.627 1.00 0.00 C ATOM 566 C PRO A 35 6.862 -12.598 3.055 1.00 0.00 C ATOM 567 O PRO A 35 6.060 -13.440 2.704 1.00 0.00 O ATOM 568 CB PRO A 35 6.950 -11.062 5.046 1.00 0.00 C ATOM 569 CG PRO A 35 5.741 -10.943 6.000 1.00 0.00 C ATOM 570 CD PRO A 35 4.468 -11.048 5.151 1.00 0.00 C ATOM 0 HA PRO A 35 6.759 -10.474 2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.581 -11.904 5.330 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.570 -10.167 5.100 1.00 0.00 H new ATOM 0 HG2 PRO A 35 5.767 -11.733 6.751 1.00 0.00 H new ATOM 0 HG3 PRO A 35 5.767 -9.994 6.535 1.00 0.00 H new ATOM 0 HD2 PRO A 35 3.848 -11.883 5.477 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.862 -10.147 5.242 1.00 0.00 H new ATOM 678 N THR A 42 -0.599 -12.194 5.171 1.00 0.00 N ATOM 679 CA THR A 42 -0.303 -11.768 6.521 1.00 0.00 C ATOM 680 C THR A 42 -1.417 -10.818 7.007 1.00 0.00 C ATOM 681 O THR A 42 -1.907 -10.938 8.112 1.00 0.00 O ATOM 682 CB THR A 42 1.107 -11.115 6.537 1.00 0.00 C ATOM 683 OG1 THR A 42 1.845 -11.640 7.630 1.00 0.00 O ATOM 684 CG2 THR A 42 1.064 -9.584 6.660 1.00 0.00 C ATOM 0 HA THR A 42 -0.281 -12.611 7.212 1.00 0.00 H new ATOM 0 HB THR A 42 1.579 -11.349 5.583 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.737 -11.235 7.647 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.081 -9.191 6.665 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.518 -9.166 5.814 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.563 -9.307 7.588 1.00 0.00 H new ATOM 692 N ILE A 43 -1.800 -9.869 6.198 1.00 0.00 N ATOM 693 CA ILE A 43 -2.836 -8.939 6.635 1.00 0.00 C ATOM 694 C ILE A 43 -3.648 -8.408 5.457 1.00 0.00 C ATOM 695 O ILE A 43 -3.374 -8.705 4.310 1.00 0.00 O ATOM 696 CB ILE A 43 -2.193 -7.769 7.375 1.00 0.00 C ATOM 697 CG1 ILE A 43 -1.085 -7.183 6.511 1.00 0.00 C ATOM 698 CG2 ILE A 43 -1.603 -8.262 8.698 1.00 0.00 C ATOM 699 CD1 ILE A 43 -1.481 -5.784 6.050 1.00 0.00 C ATOM 0 H ILE A 43 -1.432 -9.711 5.260 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.513 -9.478 7.298 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.944 -7.006 7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.154 -7.141 7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.906 -7.824 5.648 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.144 -7.426 9.226 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.395 -8.689 9.313 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.849 -9.023 8.499 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.687 -5.366 5.432 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.402 -5.839 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.638 -5.145 6.919 1.00 0.00 H new ATOM 711 N SER A 44 -4.643 -7.602 5.750 1.00 0.00 N ATOM 712 CA SER A 44 -5.483 -7.022 4.722 1.00 0.00 C ATOM 713 C SER A 44 -6.365 -5.957 5.396 1.00 0.00 C ATOM 714 O SER A 44 -7.207 -6.275 6.212 1.00 0.00 O ATOM 715 CB SER A 44 -6.364 -8.107 4.101 1.00 0.00 C ATOM 716 OG SER A 44 -6.305 -9.278 4.904 1.00 0.00 O ATOM 0 H SER A 44 -4.893 -7.330 6.701 1.00 0.00 H new ATOM 0 HA SER A 44 -4.877 -6.578 3.933 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.393 -7.756 4.025 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.027 -8.329 3.088 1.00 0.00 H new ATOM 0 HG SER A 44 -6.870 -9.974 4.509 1.00 0.00 H new ATOM 722 N HIS A 45 -6.171 -4.697 5.090 1.00 0.00 N ATOM 723 CA HIS A 45 -6.977 -3.665 5.737 1.00 0.00 C ATOM 724 C HIS A 45 -7.960 -3.060 4.740 1.00 0.00 C ATOM 725 O HIS A 45 -7.589 -2.626 3.667 1.00 0.00 O ATOM 726 CB HIS A 45 -6.104 -2.528 6.252 1.00 0.00 C ATOM 727 CG HIS A 45 -4.654 -2.905 6.234 1.00 0.00 C ATOM 728 ND1 HIS A 45 -3.770 -3.026 5.201 1.00 0.00 N flip ATOM 729 CD2 HIS A 45 -3.937 -3.178 7.387 1.00 0.00 C flip ATOM 730 CE1 HIS A 45 -2.515 -3.367 5.694 1.00 0.00 C flip ATOM 731 NE2 HIS A 45 -2.671 -3.446 7.019 1.00 0.00 N flip ATOM 0 H HIS A 45 -5.484 -4.357 4.417 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.502 -4.142 6.565 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -6.259 -1.641 5.638 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.402 -2.269 7.268 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.996 -2.887 4.216 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.323 -3.176 8.396 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -1.610 -3.532 5.128 1.00 0.00 H new ATOM 739 N MET A 46 -9.205 -3.003 5.107 1.00 0.00 N ATOM 740 CA MET A 46 -10.197 -2.436 4.217 1.00 0.00 C ATOM 741 C MET A 46 -10.066 -0.911 4.169 1.00 0.00 C ATOM 742 O MET A 46 -10.366 -0.227 5.111 1.00 0.00 O ATOM 743 CB MET A 46 -11.598 -2.817 4.698 1.00 0.00 C ATOM 744 CG MET A 46 -12.244 -3.773 3.693 1.00 0.00 C ATOM 745 SD MET A 46 -12.707 -5.307 4.535 1.00 0.00 S ATOM 746 CE MET A 46 -12.198 -6.450 3.228 1.00 0.00 C ATOM 0 H MET A 46 -9.564 -3.335 6.002 1.00 0.00 H new ATOM 0 HA MET A 46 -10.035 -2.833 3.215 1.00 0.00 H new ATOM 0 HB2 MET A 46 -11.541 -3.289 5.679 1.00 0.00 H new ATOM 0 HB3 MET A 46 -12.211 -1.923 4.810 1.00 0.00 H new ATOM 0 HG2 MET A 46 -13.124 -3.310 3.248 1.00 0.00 H new ATOM 0 HG3 MET A 46 -11.550 -3.987 2.880 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.882 -7.299 3.200 1.00 0.00 H new ATOM 0 HE2 MET A 46 -12.218 -5.936 2.267 1.00 0.00 H new ATOM 0 HE3 MET A 46 -11.187 -6.805 3.428 1.00 0.00 H new ATOM 756 N TYR A 47 -9.579 -0.402 3.075 1.00 0.00 N ATOM 757 CA TYR A 47 -9.380 1.033 2.911 1.00 0.00 C ATOM 758 C TYR A 47 -10.416 1.873 3.698 1.00 0.00 C ATOM 759 O TYR A 47 -10.079 2.906 4.239 1.00 0.00 O ATOM 760 CB TYR A 47 -9.423 1.362 1.409 1.00 0.00 C ATOM 761 CG TYR A 47 -8.023 1.161 0.845 1.00 0.00 C ATOM 762 CD1 TYR A 47 -7.137 0.293 1.498 1.00 0.00 C ATOM 763 CD2 TYR A 47 -7.589 1.859 -0.291 1.00 0.00 C ATOM 764 CE1 TYR A 47 -5.830 0.134 1.027 1.00 0.00 C ATOM 765 CE2 TYR A 47 -6.291 1.692 -0.761 1.00 0.00 C ATOM 766 CZ TYR A 47 -5.406 0.839 -0.103 1.00 0.00 C ATOM 767 OH TYR A 47 -4.117 0.693 -0.573 1.00 0.00 O ATOM 0 H TYR A 47 -9.305 -0.958 2.265 1.00 0.00 H new ATOM 0 HA TYR A 47 -8.408 1.299 3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -10.137 0.716 0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -9.753 2.389 1.253 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.465 -0.255 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -8.265 2.528 -0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.149 -0.533 1.536 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.966 2.227 -1.641 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.114 0.074 -1.333 1.00 0.00 H new ATOM 777 N ALA A 48 -11.647 1.444 3.817 1.00 0.00 N ATOM 778 CA ALA A 48 -12.602 2.231 4.596 1.00 0.00 C ATOM 779 C ALA A 48 -12.167 2.187 6.068 1.00 0.00 C ATOM 780 O ALA A 48 -12.085 3.191 6.748 1.00 0.00 O ATOM 781 CB ALA A 48 -14.006 1.641 4.446 1.00 0.00 C ATOM 0 H ALA A 48 -12.014 0.586 3.405 1.00 0.00 H new ATOM 0 HA ALA A 48 -12.622 3.261 4.241 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -14.713 2.232 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -14.298 1.658 3.396 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.009 0.612 4.807 1.00 0.00 H new ATOM 787 N ASP A 49 -11.844 1.012 6.528 1.00 0.00 N ATOM 788 CA ASP A 49 -11.366 0.827 7.889 1.00 0.00 C ATOM 789 C ASP A 49 -10.002 1.527 8.050 1.00 0.00 C ATOM 790 O ASP A 49 -9.460 1.613 9.133 1.00 0.00 O ATOM 791 CB ASP A 49 -11.210 -0.667 8.179 1.00 0.00 C ATOM 792 CG ASP A 49 -12.551 -1.372 7.963 1.00 0.00 C ATOM 793 OD1 ASP A 49 -13.500 -0.699 7.597 1.00 0.00 O ATOM 794 OD2 ASP A 49 -12.605 -2.574 8.167 1.00 0.00 O ATOM 0 H ASP A 49 -11.900 0.152 5.982 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.083 1.258 8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.451 -1.098 7.526 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.870 -0.816 9.204 1.00 0.00 H new ATOM 799 N ILE A 50 -9.460 2.045 6.976 1.00 0.00 N ATOM 800 CA ILE A 50 -8.190 2.741 7.065 1.00 0.00 C ATOM 801 C ILE A 50 -8.377 4.158 6.523 1.00 0.00 C ATOM 802 O ILE A 50 -8.616 4.322 5.344 1.00 0.00 O ATOM 803 CB ILE A 50 -7.119 2.056 6.207 1.00 0.00 C ATOM 804 CG1 ILE A 50 -7.652 0.759 5.600 1.00 0.00 C ATOM 805 CG2 ILE A 50 -5.901 1.745 7.070 1.00 0.00 C ATOM 806 CD1 ILE A 50 -6.684 0.286 4.517 1.00 0.00 C ATOM 0 H ILE A 50 -9.866 2.002 6.041 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.870 2.740 8.107 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.843 2.731 5.397 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.756 -0.004 6.372 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.643 0.921 5.176 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.139 1.258 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.500 2.672 7.481 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.192 1.083 7.885 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.055 -0.640 4.077 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.603 1.049 3.743 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.703 0.111 4.958 1.00 0.00 H new ATOM 818 N LYS A 51 -8.253 5.202 7.312 1.00 0.00 N ATOM 819 CA LYS A 51 -8.422 6.495 6.684 1.00 0.00 C ATOM 820 C LYS A 51 -7.471 7.553 7.215 1.00 0.00 C ATOM 821 O LYS A 51 -7.679 8.163 8.244 1.00 0.00 O ATOM 822 CB LYS A 51 -9.835 7.006 6.870 1.00 0.00 C ATOM 823 CG LYS A 51 -10.174 7.841 5.639 1.00 0.00 C ATOM 824 CD LYS A 51 -9.386 9.156 5.680 1.00 0.00 C ATOM 825 CE LYS A 51 -9.693 9.896 6.984 1.00 0.00 C ATOM 826 NZ LYS A 51 -9.884 11.346 6.699 1.00 0.00 N ATOM 0 H LYS A 51 -8.052 5.193 8.312 1.00 0.00 H new ATOM 0 HA LYS A 51 -8.201 6.331 5.629 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.534 6.176 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.912 7.607 7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -9.931 7.287 4.732 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.244 8.047 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.317 8.954 5.607 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.652 9.778 4.825 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -10.590 9.484 7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.877 9.758 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -10.093 11.849 7.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.017 11.734 6.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -10.676 11.468 6.037 1.00 0.00 H new ATOM 840 N CYS A 52 -6.482 7.820 6.429 1.00 0.00 N ATOM 841 CA CYS A 52 -5.533 8.868 6.703 1.00 0.00 C ATOM 842 C CYS A 52 -4.440 8.745 5.659 1.00 0.00 C ATOM 843 O CYS A 52 -4.047 7.649 5.320 1.00 0.00 O ATOM 844 CB CYS A 52 -4.955 8.756 8.098 1.00 0.00 C ATOM 845 SG CYS A 52 -4.568 10.411 8.723 1.00 0.00 S ATOM 0 H CYS A 52 -6.300 7.313 5.563 1.00 0.00 H new ATOM 0 HA CYS A 52 -6.022 9.841 6.656 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -5.667 8.262 8.760 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.055 8.141 8.082 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.074 10.318 9.922 1.00 0.00 H new ATOM 851 N GLN A 53 -3.963 9.816 5.118 1.00 0.00 N ATOM 852 CA GLN A 53 -2.953 9.666 4.092 1.00 0.00 C ATOM 853 C GLN A 53 -1.917 10.772 4.194 1.00 0.00 C ATOM 854 O GLN A 53 -2.205 11.950 4.120 1.00 0.00 O ATOM 855 CB GLN A 53 -3.618 9.715 2.716 1.00 0.00 C ATOM 856 CG GLN A 53 -4.951 8.964 2.767 1.00 0.00 C ATOM 857 CD GLN A 53 -6.036 9.886 3.326 1.00 0.00 C ATOM 858 OE1 GLN A 53 -5.795 11.053 3.563 1.00 0.00 O ATOM 859 NE2 GLN A 53 -7.230 9.409 3.548 1.00 0.00 N ATOM 0 H GLN A 53 -4.233 10.773 5.347 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.453 8.707 4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -3.783 10.750 2.416 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.964 9.267 1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.227 8.624 1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.856 8.076 3.392 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.433 8.429 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.960 10.016 3.920 1.00 0.00 H new ATOM 868 N LYS A 54 -0.698 10.356 4.381 1.00 0.00 N ATOM 869 CA LYS A 54 0.405 11.270 4.516 1.00 0.00 C ATOM 870 C LYS A 54 1.459 10.901 3.466 1.00 0.00 C ATOM 871 O LYS A 54 1.677 9.740 3.182 1.00 0.00 O ATOM 872 CB LYS A 54 0.969 11.113 5.942 1.00 0.00 C ATOM 873 CG LYS A 54 2.499 11.230 5.954 1.00 0.00 C ATOM 874 CD LYS A 54 2.910 12.653 5.570 1.00 0.00 C ATOM 875 CE LYS A 54 3.543 13.346 6.778 1.00 0.00 C ATOM 876 NZ LYS A 54 5.027 13.268 6.675 1.00 0.00 N ATOM 0 H LYS A 54 -0.438 9.372 4.445 1.00 0.00 H new ATOM 0 HA LYS A 54 0.101 12.305 4.361 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.539 11.876 6.591 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.673 10.145 6.348 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.884 10.984 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.934 10.515 5.256 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.617 12.627 4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.040 13.215 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 54 3.225 14.388 6.821 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.207 12.872 7.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 5.457 13.739 7.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.322 12.271 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.340 13.740 5.802 1.00 0.00 H new ATOM 988 N LYS A 62 13.423 6.830 -1.526 1.00 0.00 N ATOM 989 CA LYS A 62 12.655 5.977 -2.382 1.00 0.00 C ATOM 990 C LYS A 62 11.169 6.373 -2.267 1.00 0.00 C ATOM 991 O LYS A 62 10.786 7.438 -2.706 1.00 0.00 O ATOM 992 CB LYS A 62 12.950 4.500 -2.025 1.00 0.00 C ATOM 993 CG LYS A 62 13.597 4.401 -0.628 1.00 0.00 C ATOM 994 CD LYS A 62 12.692 5.034 0.438 1.00 0.00 C ATOM 995 CE LYS A 62 12.978 4.391 1.798 1.00 0.00 C ATOM 996 NZ LYS A 62 11.816 4.608 2.706 1.00 0.00 N ATOM 0 HA LYS A 62 12.930 6.095 -3.430 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.025 3.923 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.614 4.065 -2.772 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.781 3.355 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.565 4.902 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.868 6.109 0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.645 4.894 0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 62 13.163 3.324 1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.879 4.823 2.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.105 5.213 3.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.047 5.071 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.484 3.692 3.070 1.00 0.00 H new ATOM 1010 N ILE A 63 10.331 5.535 -1.743 1.00 0.00 N ATOM 1011 CA ILE A 63 8.908 5.871 -1.693 1.00 0.00 C ATOM 1012 C ILE A 63 8.135 5.097 -0.598 1.00 0.00 C ATOM 1013 O ILE A 63 7.520 4.090 -0.857 1.00 0.00 O ATOM 1014 CB ILE A 63 8.236 5.659 -3.077 1.00 0.00 C ATOM 1015 CG1 ILE A 63 7.943 4.183 -3.362 1.00 0.00 C ATOM 1016 CG2 ILE A 63 9.159 6.135 -4.201 1.00 0.00 C ATOM 1017 CD1 ILE A 63 9.251 3.417 -3.295 1.00 0.00 C ATOM 0 H ILE A 63 10.580 4.629 -1.347 1.00 0.00 H new ATOM 0 HA ILE A 63 8.859 6.927 -1.427 1.00 0.00 H new ATOM 0 HB ILE A 63 7.306 6.227 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.234 3.789 -2.634 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.486 4.069 -4.345 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.671 5.979 -5.163 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.373 7.196 -4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.091 5.570 -4.170 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.065 2.362 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.942 3.812 -4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.686 3.527 -2.302 1.00 0.00 H new ATOM 1029 N GLN A 64 8.133 5.539 0.633 1.00 0.00 N ATOM 1030 CA GLN A 64 7.380 4.805 1.643 1.00 0.00 C ATOM 1031 C GLN A 64 6.158 5.649 2.004 1.00 0.00 C ATOM 1032 O GLN A 64 6.268 6.831 2.228 1.00 0.00 O ATOM 1033 CB GLN A 64 8.242 4.573 2.886 1.00 0.00 C ATOM 1034 CG GLN A 64 8.442 5.895 3.630 1.00 0.00 C ATOM 1035 CD GLN A 64 9.199 5.641 4.937 1.00 0.00 C ATOM 1036 OE1 GLN A 64 9.879 4.537 5.083 1.00 0.00 O flip ATOM 1037 NE2 GLN A 64 9.171 6.459 5.835 1.00 0.00 N flip ATOM 0 H GLN A 64 8.622 6.371 0.963 1.00 0.00 H new ATOM 0 HA GLN A 64 7.078 3.830 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.764 3.845 3.541 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.208 4.157 2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.998 6.594 3.006 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.476 6.355 3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.640 7.322 5.722 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.679 6.282 6.702 1.00 0.00 H new ATOM 1046 N LEU A 65 4.988 5.073 2.025 1.00 0.00 N ATOM 1047 CA LEU A 65 3.814 5.887 2.295 1.00 0.00 C ATOM 1048 C LEU A 65 3.205 5.614 3.673 1.00 0.00 C ATOM 1049 O LEU A 65 3.592 4.698 4.374 1.00 0.00 O ATOM 1050 CB LEU A 65 2.767 5.671 1.186 1.00 0.00 C ATOM 1051 CG LEU A 65 2.407 4.180 0.980 1.00 0.00 C ATOM 1052 CD1 LEU A 65 3.511 3.464 0.198 1.00 0.00 C ATOM 1053 CD2 LEU A 65 2.207 3.471 2.319 1.00 0.00 C ATOM 0 H LEU A 65 4.814 4.081 1.866 1.00 0.00 H new ATOM 0 HA LEU A 65 4.134 6.929 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.863 6.227 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.147 6.081 0.250 1.00 0.00 H new ATOM 0 HG LEU A 65 1.475 4.144 0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.241 2.417 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.631 3.936 -0.777 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.448 3.528 0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.955 2.425 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.126 3.530 2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.397 3.952 2.868 1.00 0.00 H new ATOM 1065 N GLN A 66 2.254 6.432 4.064 1.00 0.00 N ATOM 1066 CA GLN A 66 1.626 6.268 5.361 1.00 0.00 C ATOM 1067 C GLN A 66 0.099 6.413 5.246 1.00 0.00 C ATOM 1068 O GLN A 66 -0.418 7.386 4.732 1.00 0.00 O ATOM 1069 CB GLN A 66 2.163 7.333 6.319 1.00 0.00 C ATOM 1070 CG GLN A 66 3.350 6.766 7.099 1.00 0.00 C ATOM 1071 CD GLN A 66 4.522 7.746 7.030 1.00 0.00 C ATOM 1072 OE1 GLN A 66 5.504 7.491 6.361 1.00 0.00 O ATOM 1073 NE2 GLN A 66 4.461 8.865 7.698 1.00 0.00 N ATOM 0 H GLN A 66 1.899 7.212 3.510 1.00 0.00 H new ATOM 0 HA GLN A 66 1.856 5.272 5.739 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.470 8.218 5.761 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.378 7.647 7.007 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.067 6.594 8.137 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.644 5.802 6.684 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.637 9.079 8.260 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.237 9.525 7.659 1.00 0.00 H new ATOM 1082 N LEU A 67 -0.607 5.441 5.745 1.00 0.00 N ATOM 1083 CA LEU A 67 -2.056 5.451 5.721 1.00 0.00 C ATOM 1084 C LEU A 67 -2.481 5.150 7.148 1.00 0.00 C ATOM 1085 O LEU A 67 -1.938 4.270 7.777 1.00 0.00 O ATOM 1086 CB LEU A 67 -2.554 4.370 4.742 1.00 0.00 C ATOM 1087 CG LEU A 67 -3.987 3.925 5.075 1.00 0.00 C ATOM 1088 CD1 LEU A 67 -4.955 4.447 4.009 1.00 0.00 C ATOM 1089 CD2 LEU A 67 -4.042 2.396 5.087 1.00 0.00 C ATOM 0 H LEU A 67 -0.202 4.614 6.183 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.472 6.401 5.385 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.519 4.756 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.887 3.509 4.779 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.272 4.322 6.049 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.969 4.128 4.251 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.914 5.536 3.982 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.672 4.049 3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.055 2.070 5.322 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.757 2.014 4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.353 2.013 5.840 1.00 0.00 H new ATOM 1101 N VAL A 68 -3.405 5.875 7.695 1.00 0.00 N ATOM 1102 CA VAL A 68 -3.753 5.595 9.069 1.00 0.00 C ATOM 1103 C VAL A 68 -5.144 5.025 9.173 1.00 0.00 C ATOM 1104 O VAL A 68 -5.985 5.176 8.315 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.643 6.845 9.942 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -3.521 6.453 11.407 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.388 7.603 9.580 1.00 0.00 C ATOM 0 H VAL A 68 -3.917 6.634 7.245 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.040 4.855 9.432 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.533 7.453 9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.443 7.352 12.019 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.402 5.885 11.706 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.630 5.841 11.547 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.309 8.494 10.202 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.518 6.967 9.745 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.429 7.895 8.531 1.00 0.00 H new ATOM 1117 N LEU A 69 -5.345 4.344 10.238 1.00 0.00 N ATOM 1118 CA LEU A 69 -6.595 3.698 10.507 1.00 0.00 C ATOM 1119 C LEU A 69 -7.549 4.714 11.127 1.00 0.00 C ATOM 1120 O LEU A 69 -7.122 5.581 11.863 1.00 0.00 O ATOM 1121 CB LEU A 69 -6.313 2.584 11.518 1.00 0.00 C ATOM 1122 CG LEU A 69 -5.443 1.470 10.895 1.00 0.00 C ATOM 1123 CD1 LEU A 69 -6.319 0.446 10.218 1.00 0.00 C ATOM 1124 CD2 LEU A 69 -4.468 2.009 9.847 1.00 0.00 C ATOM 0 H LEU A 69 -4.642 4.211 10.965 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.041 3.295 9.598 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.807 3.000 12.389 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.254 2.161 11.868 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.875 1.028 11.714 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.696 -0.335 9.782 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.995 0.004 10.950 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.900 0.927 9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.880 1.186 9.440 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.026 2.489 9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.802 2.737 10.310 1.00 0.00 H new ATOM 1136 N HIS A 70 -8.835 4.615 10.876 1.00 0.00 N ATOM 1137 CA HIS A 70 -9.744 5.561 11.503 1.00 0.00 C ATOM 1138 C HIS A 70 -9.379 5.573 12.989 1.00 0.00 C ATOM 1139 O HIS A 70 -9.434 6.579 13.669 1.00 0.00 O ATOM 1140 CB HIS A 70 -11.196 5.110 11.324 1.00 0.00 C ATOM 1141 CG HIS A 70 -11.266 3.610 11.321 1.00 0.00 C ATOM 1142 ND1 HIS A 70 -11.138 2.860 12.480 1.00 0.00 N ATOM 1143 CD2 HIS A 70 -11.458 2.705 10.308 1.00 0.00 C ATOM 1144 CE1 HIS A 70 -11.253 1.564 12.139 1.00 0.00 C ATOM 1145 NE2 HIS A 70 -11.450 1.413 10.826 1.00 0.00 N ATOM 0 H HIS A 70 -9.268 3.920 10.268 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.654 6.551 11.056 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.813 5.510 12.129 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -11.596 5.504 10.390 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.985 3.225 13.420 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -11.595 2.957 9.267 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.193 0.745 12.841 1.00 0.00 H new ATOM 1153 N ALA A 71 -8.960 4.428 13.459 1.00 0.00 N ATOM 1154 CA ALA A 71 -8.535 4.296 14.832 1.00 0.00 C ATOM 1155 C ALA A 71 -7.165 4.968 14.965 1.00 0.00 C ATOM 1156 O ALA A 71 -6.855 5.898 14.248 1.00 0.00 O ATOM 1157 CB ALA A 71 -8.424 2.816 15.202 1.00 0.00 C ATOM 0 H ALA A 71 -8.903 3.569 12.911 1.00 0.00 H new ATOM 0 HA ALA A 71 -9.257 4.766 15.500 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.103 2.723 16.239 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.395 2.336 15.079 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.695 2.332 14.552 1.00 0.00 H new ATOM 1163 N GLY A 72 -6.361 4.544 15.896 1.00 0.00 N ATOM 1164 CA GLY A 72 -5.066 5.183 16.094 1.00 0.00 C ATOM 1165 C GLY A 72 -3.972 4.237 15.630 1.00 0.00 C ATOM 1166 O GLY A 72 -3.052 3.896 16.347 1.00 0.00 O ATOM 0 H GLY A 72 -6.563 3.770 16.529 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -5.018 6.117 15.535 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.926 5.433 17.146 1.00 0.00 H new ATOM 1170 N ASP A 73 -4.118 3.797 14.433 1.00 0.00 N ATOM 1171 CA ASP A 73 -3.173 2.861 13.886 1.00 0.00 C ATOM 1172 C ASP A 73 -2.679 3.387 12.561 1.00 0.00 C ATOM 1173 O ASP A 73 -3.421 3.946 11.794 1.00 0.00 O ATOM 1174 CB ASP A 73 -3.847 1.503 13.691 1.00 0.00 C ATOM 1175 CG ASP A 73 -3.784 0.710 14.997 1.00 0.00 C ATOM 1176 OD1 ASP A 73 -3.478 1.307 16.016 1.00 0.00 O ATOM 1177 OD2 ASP A 73 -4.043 -0.482 14.957 1.00 0.00 O ATOM 0 H ASP A 73 -4.877 4.062 13.805 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.332 2.740 14.569 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.884 1.640 13.386 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.351 0.950 12.893 1.00 0.00 H new ATOM 1182 N THR A 74 -1.420 3.234 12.305 1.00 0.00 N ATOM 1183 CA THR A 74 -0.879 3.735 11.071 1.00 0.00 C ATOM 1184 C THR A 74 -0.541 2.562 10.168 1.00 0.00 C ATOM 1185 O THR A 74 -0.362 1.446 10.615 1.00 0.00 O ATOM 1186 CB THR A 74 0.388 4.544 11.357 1.00 0.00 C ATOM 1187 OG1 THR A 74 0.487 4.789 12.753 1.00 0.00 O ATOM 1188 CG2 THR A 74 0.325 5.876 10.607 1.00 0.00 C ATOM 0 H THR A 74 -0.750 2.773 12.921 1.00 0.00 H new ATOM 0 HA THR A 74 -1.611 4.378 10.582 1.00 0.00 H new ATOM 0 HB THR A 74 1.261 3.982 11.024 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.299 5.306 12.938 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.228 6.452 10.811 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.249 5.687 9.536 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.547 6.439 10.939 1.00 0.00 H new ATOM 1196 N THR A 75 -0.423 2.810 8.903 1.00 0.00 N ATOM 1197 CA THR A 75 -0.074 1.768 7.980 1.00 0.00 C ATOM 1198 C THR A 75 1.016 2.354 7.087 1.00 0.00 C ATOM 1199 O THR A 75 0.744 3.166 6.226 1.00 0.00 O ATOM 1200 CB THR A 75 -1.293 1.392 7.134 1.00 0.00 C ATOM 1201 OG1 THR A 75 -2.345 0.965 7.987 1.00 0.00 O ATOM 1202 CG2 THR A 75 -0.920 0.262 6.173 1.00 0.00 C ATOM 0 H THR A 75 -0.563 3.728 8.480 1.00 0.00 H new ATOM 0 HA THR A 75 0.264 0.869 8.495 1.00 0.00 H new ATOM 0 HB THR A 75 -1.620 2.259 6.560 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.066 0.576 7.448 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.788 -0.005 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 75 -0.113 0.592 5.519 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.592 -0.607 6.743 1.00 0.00 H new ATOM 1210 N ASN A 76 2.245 1.980 7.286 1.00 0.00 N ATOM 1211 CA ASN A 76 3.297 2.544 6.468 1.00 0.00 C ATOM 1212 C ASN A 76 3.825 1.470 5.533 1.00 0.00 C ATOM 1213 O ASN A 76 3.875 0.306 5.879 1.00 0.00 O ATOM 1214 CB ASN A 76 4.431 3.044 7.363 1.00 0.00 C ATOM 1215 CG ASN A 76 3.851 3.894 8.495 1.00 0.00 C ATOM 1216 OD1 ASN A 76 2.685 4.459 8.338 1.00 0.00 O flip ATOM 1217 ND2 ASN A 76 4.464 4.045 9.533 1.00 0.00 N flip ATOM 0 H ASN A 76 2.548 1.304 7.988 1.00 0.00 H new ATOM 0 HA ASN A 76 2.904 3.379 5.888 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.983 2.199 7.775 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.138 3.632 6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.375 3.604 9.656 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.067 4.613 10.281 1.00 0.00 H new ATOM 1224 N PHE A 77 4.226 1.838 4.353 1.00 0.00 N ATOM 1225 CA PHE A 77 4.735 0.839 3.453 1.00 0.00 C ATOM 1226 C PHE A 77 5.765 1.437 2.500 1.00 0.00 C ATOM 1227 O PHE A 77 5.674 2.573 2.083 1.00 0.00 O ATOM 1228 CB PHE A 77 3.596 0.188 2.692 1.00 0.00 C ATOM 1229 CG PHE A 77 3.577 -1.250 3.096 1.00 0.00 C ATOM 1230 CD1 PHE A 77 4.748 -1.983 2.969 1.00 0.00 C ATOM 1231 CD2 PHE A 77 2.425 -1.845 3.611 1.00 0.00 C ATOM 1232 CE1 PHE A 77 4.786 -3.314 3.346 1.00 0.00 C ATOM 1233 CE2 PHE A 77 2.456 -3.188 3.990 1.00 0.00 C ATOM 1234 CZ PHE A 77 3.647 -3.921 3.855 1.00 0.00 C ATOM 0 H PHE A 77 4.214 2.793 3.995 1.00 0.00 H new ATOM 0 HA PHE A 77 5.238 0.069 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.647 0.669 2.929 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.743 0.286 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 77 5.636 -1.512 2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.516 -1.271 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 77 5.701 -3.879 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.569 -3.661 4.385 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.676 -4.960 4.148 1.00 0.00 H new ATOM 1244 N HIS A 78 6.788 0.680 2.238 1.00 0.00 N ATOM 1245 CA HIS A 78 7.876 1.184 1.422 1.00 0.00 C ATOM 1246 C HIS A 78 8.272 0.226 0.280 1.00 0.00 C ATOM 1247 O HIS A 78 7.912 -0.932 0.251 1.00 0.00 O ATOM 1248 CB HIS A 78 9.087 1.432 2.332 1.00 0.00 C ATOM 1249 CG HIS A 78 10.262 1.723 1.480 1.00 0.00 C ATOM 1250 ND1 HIS A 78 11.066 0.713 1.014 1.00 0.00 N ATOM 1251 CD2 HIS A 78 10.739 2.877 0.931 1.00 0.00 C ATOM 1252 CE1 HIS A 78 11.972 1.263 0.212 1.00 0.00 C ATOM 1253 NE2 HIS A 78 11.822 2.582 0.123 1.00 0.00 N ATOM 0 H HIS A 78 6.902 -0.278 2.568 1.00 0.00 H new ATOM 0 HA HIS A 78 7.538 2.106 0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.891 2.267 3.005 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.278 0.558 2.955 1.00 0.00 H new ATOM 0 HD1 HIS A 78 10.983 -0.278 1.241 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.335 3.864 1.100 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.739 0.706 -0.306 1.00 0.00 H new ATOM 1261 N PHE A 79 9.029 0.750 -0.662 1.00 0.00 N ATOM 1262 CA PHE A 79 9.495 -0.018 -1.809 1.00 0.00 C ATOM 1263 C PHE A 79 10.873 0.550 -2.250 1.00 0.00 C ATOM 1264 O PHE A 79 10.959 1.717 -2.547 1.00 0.00 O ATOM 1265 CB PHE A 79 8.553 0.229 -2.989 1.00 0.00 C ATOM 1266 CG PHE A 79 7.083 0.134 -2.632 1.00 0.00 C ATOM 1267 CD1 PHE A 79 6.418 1.229 -2.049 1.00 0.00 C ATOM 1268 CD2 PHE A 79 6.366 -1.023 -2.950 1.00 0.00 C ATOM 1269 CE1 PHE A 79 5.038 1.154 -1.787 1.00 0.00 C ATOM 1270 CE2 PHE A 79 5.000 -1.096 -2.677 1.00 0.00 C ATOM 1271 CZ PHE A 79 4.337 -0.016 -2.101 1.00 0.00 C ATOM 0 H PHE A 79 9.341 1.721 -0.658 1.00 0.00 H new ATOM 0 HA PHE A 79 9.544 -1.073 -1.541 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.754 1.218 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 79 8.773 -0.494 -3.775 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.967 2.126 -1.803 1.00 0.00 H new ATOM 0 HD2 PHE A 79 6.870 -1.861 -3.408 1.00 0.00 H new ATOM 0 HE1 PHE A 79 4.522 1.994 -1.346 1.00 0.00 H new ATOM 0 HE2 PHE A 79 4.453 -1.997 -2.914 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.279 -0.081 -1.896 1.00 0.00 H new ATOM 1346 N ALA A 85 12.442 1.771 -6.340 1.00 0.00 N ATOM 1347 CA ALA A 85 11.612 2.853 -5.857 1.00 0.00 C ATOM 1348 C ALA A 85 11.502 3.922 -6.935 1.00 0.00 C ATOM 1349 O ALA A 85 12.161 4.942 -6.913 1.00 0.00 O ATOM 1350 CB ALA A 85 12.231 3.456 -4.595 1.00 0.00 C ATOM 0 HA ALA A 85 10.619 2.471 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 85 11.602 4.270 -4.235 1.00 0.00 H new ATOM 0 HB2 ALA A 85 12.307 2.689 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 85 13.225 3.839 -4.825 1.00 0.00 H new ATOM 1356 N VAL A 86 10.657 3.666 -7.865 1.00 0.00 N ATOM 1357 CA VAL A 86 10.440 4.594 -8.956 1.00 0.00 C ATOM 1358 C VAL A 86 9.002 4.459 -9.460 1.00 0.00 C ATOM 1359 O VAL A 86 8.095 4.211 -8.700 1.00 0.00 O ATOM 1360 CB VAL A 86 11.424 4.300 -10.091 1.00 0.00 C ATOM 1361 CG1 VAL A 86 11.684 5.580 -10.886 1.00 0.00 C ATOM 1362 CG2 VAL A 86 12.745 3.793 -9.504 1.00 0.00 C ATOM 0 H VAL A 86 10.091 2.819 -7.908 1.00 0.00 H new ATOM 0 HA VAL A 86 10.603 5.613 -8.604 1.00 0.00 H new ATOM 0 HB VAL A 86 11.000 3.541 -10.749 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.385 5.370 -11.694 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.746 5.945 -11.305 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.107 6.338 -10.227 1.00 0.00 H new ATOM 0 HG21 VAL A 86 13.446 3.584 -10.312 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.166 4.553 -8.846 1.00 0.00 H new ATOM 0 HG23 VAL A 86 12.564 2.881 -8.935 1.00 0.00 H new ATOM 1372 N LYS A 87 8.782 4.625 -10.734 1.00 0.00 N ATOM 1373 CA LYS A 87 7.433 4.516 -11.256 1.00 0.00 C ATOM 1374 C LYS A 87 6.742 3.272 -10.689 1.00 0.00 C ATOM 1375 O LYS A 87 5.577 3.306 -10.346 1.00 0.00 O ATOM 1376 CB LYS A 87 7.481 4.419 -12.781 1.00 0.00 C ATOM 1377 CG LYS A 87 7.101 5.770 -13.390 1.00 0.00 C ATOM 1378 CD LYS A 87 8.168 6.194 -14.402 1.00 0.00 C ATOM 1379 CE LYS A 87 8.887 7.444 -13.893 1.00 0.00 C ATOM 1380 NZ LYS A 87 8.323 8.649 -14.562 1.00 0.00 N ATOM 0 H LYS A 87 9.501 4.833 -11.427 1.00 0.00 H new ATOM 0 HA LYS A 87 6.869 5.401 -10.960 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.480 4.129 -13.106 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.796 3.646 -13.129 1.00 0.00 H new ATOM 0 HG2 LYS A 87 6.129 5.700 -13.879 1.00 0.00 H new ATOM 0 HG3 LYS A 87 7.010 6.521 -12.606 1.00 0.00 H new ATOM 0 HD2 LYS A 87 8.884 5.386 -14.552 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.707 6.395 -15.369 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.772 7.528 -12.812 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.956 7.369 -14.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.812 9.499 -14.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.455 8.569 -15.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.308 8.722 -14.348 1.00 0.00 H new ATOM 1394 N GLU A 88 7.439 2.172 -10.589 1.00 0.00 N ATOM 1395 CA GLU A 88 6.814 0.967 -10.059 1.00 0.00 C ATOM 1396 C GLU A 88 6.154 1.268 -8.715 1.00 0.00 C ATOM 1397 O GLU A 88 4.945 1.353 -8.592 1.00 0.00 O ATOM 1398 CB GLU A 88 7.879 -0.116 -9.826 1.00 0.00 C ATOM 1399 CG GLU A 88 9.250 0.512 -9.556 1.00 0.00 C ATOM 1400 CD GLU A 88 10.136 0.350 -10.793 1.00 0.00 C ATOM 1401 OE1 GLU A 88 9.753 0.846 -11.841 1.00 0.00 O ATOM 1402 OE2 GLU A 88 11.181 -0.267 -10.672 1.00 0.00 O ATOM 0 H GLU A 88 8.418 2.074 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 88 6.071 0.623 -10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 88 7.589 -0.741 -8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.938 -0.767 -10.699 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.137 1.568 -9.312 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.718 0.034 -8.695 1.00 0.00 H new ATOM 1409 N ARG A 89 6.958 1.430 -7.710 1.00 0.00 N ATOM 1410 CA ARG A 89 6.449 1.720 -6.390 1.00 0.00 C ATOM 1411 C ARG A 89 5.709 3.050 -6.457 1.00 0.00 C ATOM 1412 O ARG A 89 4.543 3.151 -6.115 1.00 0.00 O ATOM 1413 CB ARG A 89 7.629 1.826 -5.419 1.00 0.00 C ATOM 1414 CG ARG A 89 8.709 0.796 -5.790 1.00 0.00 C ATOM 1415 CD ARG A 89 8.061 -0.577 -5.990 1.00 0.00 C ATOM 1416 NE ARG A 89 9.084 -1.559 -6.295 1.00 0.00 N ATOM 1417 CZ ARG A 89 8.820 -2.835 -6.194 1.00 0.00 C ATOM 1418 NH1 ARG A 89 7.638 -3.233 -5.805 1.00 0.00 N ATOM 1419 NH2 ARG A 89 9.741 -3.714 -6.480 1.00 0.00 N ATOM 0 H ARG A 89 7.974 1.368 -7.771 1.00 0.00 H new ATOM 0 HA ARG A 89 5.775 0.935 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.048 2.832 -5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 89 7.287 1.655 -4.398 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.222 1.104 -6.701 1.00 0.00 H new ATOM 0 HG3 ARG A 89 9.461 0.743 -5.003 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.519 -0.869 -5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 89 7.333 -0.532 -6.800 1.00 0.00 H new ATOM 0 HE ARG A 89 10.012 -1.253 -6.589 1.00 0.00 H new ATOM 0 HH11 ARG A 89 6.918 -2.547 -5.579 1.00 0.00 H new ATOM 0 HH12 ARG A 89 7.435 -4.230 -5.727 1.00 0.00 H new ATOM 0 HH21 ARG A 89 10.665 -3.405 -6.782 1.00 0.00 H new ATOM 0 HH22 ARG A 89 9.537 -4.710 -6.402 1.00 0.00 H new ATOM 1433 N ASP A 90 6.405 4.065 -6.904 1.00 0.00 N ATOM 1434 CA ASP A 90 5.817 5.391 -7.033 1.00 0.00 C ATOM 1435 C ASP A 90 4.359 5.232 -7.462 1.00 0.00 C ATOM 1436 O ASP A 90 3.460 5.807 -6.881 1.00 0.00 O ATOM 1437 CB ASP A 90 6.580 6.193 -8.089 1.00 0.00 C ATOM 1438 CG ASP A 90 5.922 7.563 -8.266 1.00 0.00 C ATOM 1439 OD1 ASP A 90 4.821 7.606 -8.790 1.00 0.00 O ATOM 1440 OD2 ASP A 90 6.531 8.545 -7.876 1.00 0.00 O ATOM 0 H ASP A 90 7.383 4.006 -7.188 1.00 0.00 H new ATOM 0 HA ASP A 90 5.873 5.920 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.620 6.314 -7.787 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.584 5.655 -9.037 1.00 0.00 H new ATOM 1445 N ALA A 91 4.120 4.424 -8.461 1.00 0.00 N ATOM 1446 CA ALA A 91 2.762 4.198 -8.897 1.00 0.00 C ATOM 1447 C ALA A 91 1.981 3.565 -7.745 1.00 0.00 C ATOM 1448 O ALA A 91 0.944 4.060 -7.360 1.00 0.00 O ATOM 1449 CB ALA A 91 2.758 3.256 -10.102 1.00 0.00 C ATOM 0 H ALA A 91 4.834 3.917 -8.983 1.00 0.00 H new ATOM 0 HA ALA A 91 2.300 5.142 -9.186 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.732 3.087 -10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 91 3.329 3.704 -10.916 1.00 0.00 H new ATOM 0 HB3 ALA A 91 3.210 2.305 -9.822 1.00 0.00 H new ATOM 1455 N VAL A 92 2.476 2.466 -7.200 1.00 0.00 N ATOM 1456 CA VAL A 92 1.772 1.801 -6.101 1.00 0.00 C ATOM 1457 C VAL A 92 1.177 2.864 -5.183 1.00 0.00 C ATOM 1458 O VAL A 92 -0.022 2.937 -4.986 1.00 0.00 O ATOM 1459 CB VAL A 92 2.742 0.959 -5.264 1.00 0.00 C ATOM 1460 CG1 VAL A 92 2.061 0.570 -3.952 1.00 0.00 C ATOM 1461 CG2 VAL A 92 3.128 -0.318 -5.999 1.00 0.00 C ATOM 0 H VAL A 92 3.345 2.017 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 92 1.000 1.159 -6.525 1.00 0.00 H new ATOM 0 HB VAL A 92 3.639 1.550 -5.079 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.745 -0.029 -3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.789 1.471 -3.402 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.163 -0.009 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.817 -0.898 -5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.233 -0.908 -6.197 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.611 -0.063 -6.943 1.00 0.00 H new ATOM 1471 N LYS A 93 2.005 3.708 -4.647 1.00 0.00 N ATOM 1472 CA LYS A 93 1.494 4.755 -3.798 1.00 0.00 C ATOM 1473 C LYS A 93 0.517 5.580 -4.637 1.00 0.00 C ATOM 1474 O LYS A 93 -0.629 5.795 -4.265 1.00 0.00 O ATOM 1475 CB LYS A 93 2.655 5.628 -3.316 1.00 0.00 C ATOM 1476 CG LYS A 93 2.144 6.660 -2.311 1.00 0.00 C ATOM 1477 CD LYS A 93 3.326 7.457 -1.750 1.00 0.00 C ATOM 1478 CE LYS A 93 3.865 8.399 -2.829 1.00 0.00 C ATOM 1479 NZ LYS A 93 2.756 9.252 -3.341 1.00 0.00 N ATOM 0 H LYS A 93 3.017 3.700 -4.774 1.00 0.00 H new ATOM 0 HA LYS A 93 0.989 4.347 -2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.422 5.006 -2.855 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.120 6.131 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 93 1.435 7.332 -2.793 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.611 6.162 -1.501 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.011 8.029 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.112 6.778 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.659 9.023 -2.419 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.302 7.823 -3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.095 10.228 -3.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 2.432 8.886 -4.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 1.966 9.238 -2.664 1.00 0.00 H new ATOM 1493 N ASP A 94 0.975 6.019 -5.788 1.00 0.00 N ATOM 1494 CA ASP A 94 0.147 6.806 -6.687 1.00 0.00 C ATOM 1495 C ASP A 94 -1.228 6.159 -6.867 1.00 0.00 C ATOM 1496 O ASP A 94 -2.181 6.819 -7.234 1.00 0.00 O ATOM 1497 CB ASP A 94 0.839 6.914 -8.047 1.00 0.00 C ATOM 1498 CG ASP A 94 0.599 8.306 -8.632 1.00 0.00 C ATOM 1499 OD1 ASP A 94 -0.434 8.497 -9.253 1.00 0.00 O ATOM 1500 OD2 ASP A 94 1.452 9.159 -8.449 1.00 0.00 O ATOM 0 H ASP A 94 1.921 5.846 -6.129 1.00 0.00 H new ATOM 0 HA ASP A 94 0.010 7.798 -6.256 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.908 6.733 -7.938 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.454 6.152 -8.724 1.00 0.00 H new ATOM 1505 N LEU A 95 -1.367 4.894 -6.575 1.00 0.00 N ATOM 1506 CA LEU A 95 -2.673 4.284 -6.693 1.00 0.00 C ATOM 1507 C LEU A 95 -3.355 4.477 -5.352 1.00 0.00 C ATOM 1508 O LEU A 95 -4.507 4.847 -5.266 1.00 0.00 O ATOM 1509 CB LEU A 95 -2.554 2.789 -6.991 1.00 0.00 C ATOM 1510 CG LEU A 95 -1.436 2.543 -7.999 1.00 0.00 C ATOM 1511 CD1 LEU A 95 -1.577 1.132 -8.564 1.00 0.00 C ATOM 1512 CD2 LEU A 95 -1.529 3.559 -9.141 1.00 0.00 C ATOM 0 H LEU A 95 -0.618 4.276 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.235 4.738 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.351 2.242 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.498 2.412 -7.384 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.471 2.651 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.781 0.948 -9.286 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -1.507 0.407 -7.753 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.544 1.032 -9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -0.727 3.377 -9.856 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.492 3.457 -9.641 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.434 4.568 -8.739 1.00 0.00 H new ATOM 1524 N LEU A 96 -2.633 4.219 -4.299 1.00 0.00 N ATOM 1525 CA LEU A 96 -3.167 4.376 -2.962 1.00 0.00 C ATOM 1526 C LEU A 96 -4.021 5.650 -2.886 1.00 0.00 C ATOM 1527 O LEU A 96 -5.212 5.613 -2.621 1.00 0.00 O ATOM 1528 CB LEU A 96 -1.982 4.517 -2.003 1.00 0.00 C ATOM 1529 CG LEU A 96 -1.099 3.259 -2.056 1.00 0.00 C ATOM 1530 CD1 LEU A 96 -0.247 3.175 -0.794 1.00 0.00 C ATOM 1531 CD2 LEU A 96 -1.977 2.013 -2.159 1.00 0.00 C ATOM 0 H LEU A 96 -1.666 3.897 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 96 -3.786 3.518 -2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.393 5.395 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.344 4.673 -0.987 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.450 3.317 -2.930 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.377 2.282 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.387 4.059 -0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.896 3.124 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.346 1.125 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.632 1.956 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.581 2.067 -3.065 1.00 0.00 H new ATOM 1543 N GLN A 97 -3.410 6.778 -3.134 1.00 0.00 N ATOM 1544 CA GLN A 97 -4.139 8.047 -3.097 1.00 0.00 C ATOM 1545 C GLN A 97 -5.100 8.135 -4.288 1.00 0.00 C ATOM 1546 O GLN A 97 -5.830 9.093 -4.443 1.00 0.00 O ATOM 1547 CB GLN A 97 -3.166 9.227 -3.154 1.00 0.00 C ATOM 1548 CG GLN A 97 -2.065 9.030 -2.115 1.00 0.00 C ATOM 1549 CD GLN A 97 -0.756 8.693 -2.824 1.00 0.00 C ATOM 1550 OE1 GLN A 97 0.310 9.005 -2.333 1.00 0.00 O ATOM 1551 NE2 GLN A 97 -0.792 8.070 -3.969 1.00 0.00 N ATOM 0 H GLN A 97 -2.419 6.859 -3.363 1.00 0.00 H new ATOM 0 HA GLN A 97 -4.702 8.090 -2.165 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -2.731 9.305 -4.150 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.697 10.160 -2.964 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -1.946 9.934 -1.518 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -2.337 8.228 -1.428 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -1.688 7.809 -4.380 1.00 0.00 H new ATOM 0 HE22 GLN A 97 0.076 7.844 -4.454 1.00 0.00 H new ATOM 1560 N GLN A 98 -5.121 7.128 -5.108 1.00 0.00 N ATOM 1561 CA GLN A 98 -6.017 7.115 -6.237 1.00 0.00 C ATOM 1562 C GLN A 98 -7.301 6.395 -5.811 1.00 0.00 C ATOM 1563 O GLN A 98 -8.375 6.662 -6.312 1.00 0.00 O ATOM 1564 CB GLN A 98 -5.345 6.373 -7.392 1.00 0.00 C ATOM 1565 CG GLN A 98 -5.954 6.829 -8.720 1.00 0.00 C ATOM 1566 CD GLN A 98 -6.053 5.636 -9.673 1.00 0.00 C ATOM 1567 OE1 GLN A 98 -6.519 4.500 -9.231 1.00 0.00 O flip ATOM 1568 NE2 GLN A 98 -5.701 5.739 -10.831 1.00 0.00 N flip ATOM 0 H GLN A 98 -4.530 6.302 -5.021 1.00 0.00 H new ATOM 0 HA GLN A 98 -6.256 8.127 -6.564 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.272 6.567 -7.387 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -5.475 5.298 -7.271 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -6.943 7.256 -8.551 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -5.340 7.612 -9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -5.337 6.627 -11.176 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -5.770 4.937 -11.458 1.00 0.00 H new ATOM 1577 N LEU A 99 -7.192 5.494 -4.865 1.00 0.00 N ATOM 1578 CA LEU A 99 -8.367 4.785 -4.386 1.00 0.00 C ATOM 1579 C LEU A 99 -8.938 5.541 -3.187 1.00 0.00 C ATOM 1580 O LEU A 99 -10.093 5.406 -2.850 1.00 0.00 O ATOM 1581 CB LEU A 99 -7.987 3.371 -3.929 1.00 0.00 C ATOM 1582 CG LEU A 99 -6.811 2.851 -4.754 1.00 0.00 C ATOM 1583 CD1 LEU A 99 -5.579 2.774 -3.868 1.00 0.00 C ATOM 1584 CD2 LEU A 99 -7.112 1.450 -5.264 1.00 0.00 C ATOM 0 H LEU A 99 -6.316 5.232 -4.413 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.098 4.720 -5.192 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.723 3.381 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.841 2.703 -4.038 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.644 3.525 -5.594 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.735 2.404 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.346 3.766 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.771 2.097 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -6.268 1.087 -5.851 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.279 0.783 -4.418 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.005 1.474 -5.889 1.00 0.00 H new ATOM 1596 N LEU A 100 -8.118 6.308 -2.521 1.00 0.00 N ATOM 1597 CA LEU A 100 -8.580 7.032 -1.353 1.00 0.00 C ATOM 1598 C LEU A 100 -9.922 7.685 -1.676 1.00 0.00 C ATOM 1599 O LEU A 100 -10.786 7.779 -0.832 1.00 0.00 O ATOM 1600 CB LEU A 100 -7.538 8.084 -0.937 1.00 0.00 C ATOM 1601 CG LEU A 100 -8.061 8.907 0.247 1.00 0.00 C ATOM 1602 CD1 LEU A 100 -9.081 9.935 -0.247 1.00 0.00 C ATOM 1603 CD2 LEU A 100 -8.725 7.979 1.269 1.00 0.00 C ATOM 0 H LEU A 100 -7.136 6.451 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 100 -8.711 6.346 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.604 7.593 -0.664 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -7.319 8.742 -1.778 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.225 9.425 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.449 10.517 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.606 10.601 -0.967 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.915 9.420 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -9.095 8.568 2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.557 7.455 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.996 7.253 1.629 1.00 0.00 H new ATOM 1615 N PRO A 101 -10.058 8.087 -2.907 1.00 0.00 N ATOM 1616 CA PRO A 101 -11.332 8.707 -3.340 1.00 0.00 C ATOM 1617 C PRO A 101 -12.488 7.688 -3.372 1.00 0.00 C ATOM 1618 O PRO A 101 -13.603 8.016 -3.726 1.00 0.00 O ATOM 1619 CB PRO A 101 -11.028 9.193 -4.755 1.00 0.00 C ATOM 1620 CG PRO A 101 -9.509 9.346 -4.871 1.00 0.00 C ATOM 1621 CD PRO A 101 -8.906 8.508 -3.749 1.00 0.00 C ATOM 0 HA PRO A 101 -11.653 9.497 -2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -11.399 8.482 -5.493 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -11.525 10.143 -4.949 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.157 9.003 -5.844 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -9.215 10.391 -4.776 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -8.374 7.644 -4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.187 9.087 -3.170 1.00 0.00 H new ATOM 1629 N LYS A 102 -12.219 6.455 -3.058 1.00 0.00 N ATOM 1630 CA LYS A 102 -13.247 5.423 -3.120 1.00 0.00 C ATOM 1631 C LYS A 102 -14.045 5.306 -1.815 1.00 0.00 C ATOM 1632 O LYS A 102 -15.249 5.141 -1.825 1.00 0.00 O ATOM 1633 CB LYS A 102 -12.545 4.090 -3.350 1.00 0.00 C ATOM 1634 CG LYS A 102 -13.545 2.942 -3.249 1.00 0.00 C ATOM 1635 CD LYS A 102 -13.328 1.974 -4.412 1.00 0.00 C ATOM 1636 CE LYS A 102 -14.680 1.569 -5.001 1.00 0.00 C ATOM 1637 NZ LYS A 102 -15.407 0.705 -4.029 1.00 0.00 N ATOM 0 H LYS A 102 -11.302 6.126 -2.755 1.00 0.00 H new ATOM 0 HA LYS A 102 -13.941 5.684 -3.918 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -12.072 4.085 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -11.752 3.957 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -13.422 2.420 -2.300 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.563 3.330 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.712 2.443 -5.179 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.791 1.090 -4.068 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.271 2.457 -5.227 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.534 1.035 -5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -16.279 0.347 -4.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.802 -0.096 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.648 1.260 -3.183 1.00 0.00 H new ATOM 1651 N PHE A 103 -13.378 5.326 -0.702 1.00 0.00 N ATOM 1652 CA PHE A 103 -14.068 5.147 0.574 1.00 0.00 C ATOM 1653 C PHE A 103 -14.176 6.489 1.291 1.00 0.00 C ATOM 1654 O PHE A 103 -14.743 6.593 2.360 1.00 0.00 O ATOM 1655 CB PHE A 103 -13.295 4.138 1.454 1.00 0.00 C ATOM 1656 CG PHE A 103 -11.859 4.143 1.023 1.00 0.00 C ATOM 1657 CD1 PHE A 103 -11.505 3.503 -0.166 1.00 0.00 C ATOM 1658 CD2 PHE A 103 -10.903 4.842 1.764 1.00 0.00 C ATOM 1659 CE1 PHE A 103 -10.197 3.564 -0.621 1.00 0.00 C ATOM 1660 CE2 PHE A 103 -9.581 4.891 1.317 1.00 0.00 C ATOM 1661 CZ PHE A 103 -9.228 4.257 0.122 1.00 0.00 C ATOM 0 H PHE A 103 -12.369 5.461 -0.633 1.00 0.00 H new ATOM 0 HA PHE A 103 -15.070 4.759 0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -13.377 4.411 2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -13.720 3.140 1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -12.249 2.961 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -11.185 5.342 2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.924 3.079 -1.546 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -8.834 5.417 1.893 1.00 0.00 H new ATOM 0 HZ PHE A 103 -8.208 4.300 -0.230 1.00 0.00 H new