USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 505 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 20 GLN : amide:sc= -2.48! C(o=-27!,f=-34!) USER MOD Set 1.2: A 21 ASN :FLIP amide:sc= -14.2! C(o=-27!,f=-27!) USER MOD Set 1.3: B 20 GLN : amide:sc= -0.804! C(o=-27!,f=-29!) USER MOD Set 1.4: B 21 ASN : amide:sc= -9.19! C(o=-27!,f=-27!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 90:sc= 1.01 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0783 X(o=-0.078,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.282 K(o=-0.28,f=-0.87) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -0.498 X(o=-0.5,f=0) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 23 HIS : no HD1:sc= 0 K(o=0,f=-0.67) USER MOD Single : B 26 ASN : amide:sc= -4.07! C(o=-4.1!,f=-6.7!) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N LEU A 7 6.541 -10.024 -14.588 1.00 0.00 N ATOM 59 CA LEU A 7 6.405 -8.597 -14.822 1.00 0.00 C ATOM 60 C LEU A 7 4.922 -8.220 -14.796 1.00 0.00 C ATOM 61 O LEU A 7 4.556 -7.160 -14.290 1.00 0.00 O ATOM 62 CB LEU A 7 7.117 -8.196 -16.116 1.00 0.00 C ATOM 63 CG LEU A 7 7.906 -6.886 -16.069 1.00 0.00 C ATOM 64 CD1 LEU A 7 7.258 -5.890 -15.106 1.00 0.00 C ATOM 65 CD2 LEU A 7 9.376 -7.143 -15.725 1.00 0.00 C ATOM 0 HA LEU A 7 6.893 -8.033 -14.028 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.800 -8.998 -16.395 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.373 -8.120 -16.909 1.00 0.00 H new ATOM 0 HG LEU A 7 7.881 -6.437 -17.062 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.839 -4.968 -15.091 1.00 0.00 H new ATOM 0 HD12 LEU A 7 6.242 -5.674 -15.435 1.00 0.00 H new ATOM 0 HD13 LEU A 7 7.231 -6.318 -14.104 1.00 0.00 H new ATOM 0 HD21 LEU A 7 9.914 -6.196 -15.698 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.442 -7.626 -14.750 1.00 0.00 H new ATOM 0 HD23 LEU A 7 9.819 -7.791 -16.482 1.00 0.00 H new ATOM 77 N GLU A 8 4.108 -9.108 -15.346 1.00 0.00 N ATOM 78 CA GLU A 8 2.674 -8.883 -15.392 1.00 0.00 C ATOM 79 C GLU A 8 2.070 -9.021 -13.992 1.00 0.00 C ATOM 80 O GLU A 8 1.197 -8.242 -13.609 1.00 0.00 O ATOM 81 CB GLU A 8 1.999 -9.839 -16.376 1.00 0.00 C ATOM 82 CG GLU A 8 2.200 -9.373 -17.819 1.00 0.00 C ATOM 83 CD GLU A 8 1.053 -8.464 -18.266 1.00 0.00 C ATOM 84 OE1 GLU A 8 0.410 -7.818 -17.426 1.00 0.00 O ATOM 85 OE2 GLU A 8 0.841 -8.439 -19.538 1.00 0.00 O ATOM 0 H GLU A 8 4.415 -9.986 -15.764 1.00 0.00 H new ATOM 0 HA GLU A 8 2.497 -7.867 -15.745 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.409 -10.842 -16.254 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.933 -9.901 -16.155 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.146 -8.839 -17.904 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.262 -10.238 -18.479 1.00 0.00 H new ATOM 93 N ALA A 9 2.559 -10.015 -13.266 1.00 0.00 N ATOM 94 CA ALA A 9 2.078 -10.264 -11.918 1.00 0.00 C ATOM 95 C ALA A 9 2.572 -9.151 -10.992 1.00 0.00 C ATOM 96 O ALA A 9 1.811 -8.634 -10.176 1.00 0.00 O ATOM 97 CB ALA A 9 2.538 -11.650 -11.460 1.00 0.00 C ATOM 0 H ALA A 9 3.284 -10.658 -13.586 1.00 0.00 H new ATOM 0 HA ALA A 9 0.988 -10.256 -11.891 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.177 -11.837 -10.449 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.138 -12.407 -12.134 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.627 -11.694 -11.471 1.00 0.00 H new ATOM 103 N VAL A 10 3.844 -8.814 -11.149 1.00 0.00 N ATOM 104 CA VAL A 10 4.448 -7.771 -10.337 1.00 0.00 C ATOM 105 C VAL A 10 3.937 -6.407 -10.804 1.00 0.00 C ATOM 106 O VAL A 10 3.938 -5.445 -10.037 1.00 0.00 O ATOM 107 CB VAL A 10 5.974 -7.887 -10.386 1.00 0.00 C ATOM 108 CG1 VAL A 10 6.609 -7.286 -9.132 1.00 0.00 C ATOM 109 CG2 VAL A 10 6.407 -9.342 -10.577 1.00 0.00 C ATOM 0 H VAL A 10 4.473 -9.245 -11.827 1.00 0.00 H new ATOM 0 HA VAL A 10 4.160 -7.886 -9.292 1.00 0.00 H new ATOM 0 HB VAL A 10 6.326 -7.317 -11.246 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.693 -7.381 -9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.341 -6.232 -9.058 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.246 -7.816 -8.251 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.495 -9.397 -10.608 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.037 -9.944 -9.747 1.00 0.00 H new ATOM 0 HG23 VAL A 10 5.997 -9.724 -11.512 1.00 0.00 H new ATOM 119 N ARG A 11 3.513 -6.368 -12.058 1.00 0.00 N ATOM 120 CA ARG A 11 3.000 -5.137 -12.636 1.00 0.00 C ATOM 121 C ARG A 11 1.609 -4.828 -12.079 1.00 0.00 C ATOM 122 O ARG A 11 1.286 -3.672 -11.811 1.00 0.00 O ATOM 123 CB ARG A 11 2.922 -5.235 -14.161 1.00 0.00 C ATOM 124 CG ARG A 11 1.974 -4.178 -14.730 1.00 0.00 C ATOM 125 CD ARG A 11 2.061 -4.128 -16.257 1.00 0.00 C ATOM 126 NE ARG A 11 0.790 -4.595 -16.853 1.00 0.00 N ATOM 127 CZ ARG A 11 0.516 -4.561 -18.174 1.00 0.00 C ATOM 128 NH1 ARG A 11 1.424 -4.083 -19.050 1.00 0.00 N ATOM 129 NH2 ARG A 11 -0.653 -5.005 -18.597 1.00 0.00 N ATOM 0 H ARG A 11 3.514 -7.168 -12.690 1.00 0.00 H new ATOM 0 HA ARG A 11 3.688 -4.334 -12.370 1.00 0.00 H new ATOM 0 HB2 ARG A 11 3.916 -5.105 -14.589 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.579 -6.229 -14.448 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.951 -4.402 -14.428 1.00 0.00 H new ATOM 0 HG3 ARG A 11 2.222 -3.201 -14.316 1.00 0.00 H new ATOM 0 HD2 ARG A 11 2.273 -3.110 -16.584 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.885 -4.752 -16.603 1.00 0.00 H new ATOM 0 HE ARG A 11 0.076 -4.966 -16.226 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.326 -3.744 -18.716 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.209 -4.061 -20.047 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.333 -5.367 -17.929 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -0.876 -4.986 -19.592 1.00 0.00 H new ATOM 142 N ARG A 12 0.822 -5.882 -11.921 1.00 0.00 N ATOM 143 CA ARG A 12 -0.527 -5.739 -11.402 1.00 0.00 C ATOM 144 C ARG A 12 -0.496 -5.591 -9.879 1.00 0.00 C ATOM 145 O ARG A 12 -1.390 -4.983 -9.292 1.00 0.00 O ATOM 146 CB ARG A 12 -1.391 -6.946 -11.771 1.00 0.00 C ATOM 147 CG ARG A 12 -0.903 -8.210 -11.061 1.00 0.00 C ATOM 148 CD ARG A 12 -2.013 -9.259 -10.983 1.00 0.00 C ATOM 149 NE ARG A 12 -1.936 -10.165 -12.150 1.00 0.00 N ATOM 150 CZ ARG A 12 -1.249 -11.327 -12.163 1.00 0.00 C ATOM 151 NH1 ARG A 12 -0.571 -11.734 -11.069 1.00 0.00 N ATOM 152 NH2 ARG A 12 -1.248 -12.058 -13.262 1.00 0.00 N ATOM 0 H ARG A 12 1.093 -6.840 -12.144 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.961 -4.845 -11.850 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.429 -6.751 -11.500 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.366 -7.099 -12.850 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.045 -8.622 -11.593 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.564 -7.959 -10.056 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.919 -9.832 -10.061 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.986 -8.769 -10.956 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.433 -9.895 -12.998 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.575 -11.162 -10.224 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.054 -12.613 -11.087 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.761 -11.742 -14.085 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.734 -12.939 -13.288 1.00 0.00 H new ATOM 165 N LYS A 13 0.543 -6.157 -9.282 1.00 0.00 N ATOM 166 CA LYS A 13 0.702 -6.095 -7.839 1.00 0.00 C ATOM 167 C LYS A 13 1.262 -4.726 -7.450 1.00 0.00 C ATOM 168 O LYS A 13 0.888 -4.168 -6.419 1.00 0.00 O ATOM 169 CB LYS A 13 1.549 -7.269 -7.343 1.00 0.00 C ATOM 170 CG LYS A 13 1.032 -7.789 -6.000 1.00 0.00 C ATOM 171 CD LYS A 13 -0.099 -8.800 -6.201 1.00 0.00 C ATOM 172 CE LYS A 13 -1.456 -8.180 -5.863 1.00 0.00 C ATOM 173 NZ LYS A 13 -2.075 -8.881 -4.717 1.00 0.00 N ATOM 0 H LYS A 13 1.283 -6.661 -9.771 1.00 0.00 H new ATOM 0 HA LYS A 13 -0.264 -6.197 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.530 -8.072 -8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.588 -6.955 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.848 -8.256 -5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.675 -6.955 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.101 -9.148 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 13 0.073 -9.673 -5.571 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -1.331 -7.123 -5.626 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.114 -8.236 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.995 -8.448 -4.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.212 -9.884 -4.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.453 -8.805 -3.887 1.00 0.00 H new ATOM 186 N ILE A 14 2.149 -4.222 -8.296 1.00 0.00 N ATOM 187 CA ILE A 14 2.764 -2.929 -8.054 1.00 0.00 C ATOM 188 C ILE A 14 1.719 -1.828 -8.250 1.00 0.00 C ATOM 189 O ILE A 14 1.565 -0.955 -7.397 1.00 0.00 O ATOM 190 CB ILE A 14 4.010 -2.756 -8.924 1.00 0.00 C ATOM 191 CG1 ILE A 14 4.903 -1.637 -8.386 1.00 0.00 C ATOM 192 CG2 ILE A 14 3.628 -2.532 -10.389 1.00 0.00 C ATOM 193 CD1 ILE A 14 4.195 -0.284 -8.464 1.00 0.00 C ATOM 0 H ILE A 14 2.456 -4.687 -9.150 1.00 0.00 H new ATOM 0 HA ILE A 14 3.112 -2.860 -7.023 1.00 0.00 H new ATOM 0 HB ILE A 14 4.589 -3.678 -8.880 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.175 -1.850 -7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.830 -1.600 -8.958 1.00 0.00 H new ATOM 0 HG21 ILE A 14 4.532 -2.412 -10.986 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.064 -3.390 -10.753 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.016 -1.634 -10.472 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.852 0.494 -8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.946 -0.063 -9.502 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.281 -0.317 -7.871 1.00 0.00 H new ATOM 205 N ARG A 15 1.029 -1.905 -9.378 1.00 0.00 N ATOM 206 CA ARG A 15 0.003 -0.927 -9.696 1.00 0.00 C ATOM 207 C ARG A 15 -1.152 -1.025 -8.698 1.00 0.00 C ATOM 208 O ARG A 15 -1.635 -0.009 -8.200 1.00 0.00 O ATOM 209 CB ARG A 15 -0.536 -1.135 -11.113 1.00 0.00 C ATOM 210 CG ARG A 15 -1.050 0.181 -11.703 1.00 0.00 C ATOM 211 CD ARG A 15 -0.002 0.817 -12.619 1.00 0.00 C ATOM 212 NE ARG A 15 0.023 0.116 -13.922 1.00 0.00 N ATOM 213 CZ ARG A 15 -0.931 0.246 -14.869 1.00 0.00 C ATOM 214 NH1 ARG A 15 -1.994 1.052 -14.665 1.00 0.00 N ATOM 215 NH2 ARG A 15 -0.807 -0.428 -15.997 1.00 0.00 N ATOM 0 H ARG A 15 1.160 -2.630 -10.083 1.00 0.00 H new ATOM 0 HA ARG A 15 0.457 0.062 -9.634 1.00 0.00 H new ATOM 0 HB2 ARG A 15 0.251 -1.540 -11.749 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -1.342 -1.869 -11.095 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -1.966 -0.001 -12.264 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.301 0.871 -10.898 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.230 1.872 -12.769 1.00 0.00 H new ATOM 0 HD3 ARG A 15 0.981 0.767 -12.151 1.00 0.00 H new ATOM 0 HE ARG A 15 0.809 -0.504 -14.117 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.082 1.569 -13.790 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.710 1.144 -15.386 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.000 -1.035 -16.142 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.518 -0.342 -16.723 1.00 0.00 H new ATOM 228 N SER A 16 -1.562 -2.257 -8.436 1.00 0.00 N ATOM 229 CA SER A 16 -2.653 -2.501 -7.507 1.00 0.00 C ATOM 230 C SER A 16 -2.274 -1.997 -6.112 1.00 0.00 C ATOM 231 O SER A 16 -3.029 -1.249 -5.493 1.00 0.00 O ATOM 232 CB SER A 16 -3.010 -3.987 -7.455 1.00 0.00 C ATOM 233 OG SER A 16 -3.629 -4.430 -8.660 1.00 0.00 O ATOM 0 H SER A 16 -1.159 -3.097 -8.851 1.00 0.00 H new ATOM 0 HA SER A 16 -3.530 -1.957 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.107 -4.571 -7.275 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.680 -4.170 -6.615 1.00 0.00 H new ATOM 0 HG SER A 16 -2.942 -4.748 -9.283 1.00 0.00 H new ATOM 239 N LEU A 17 -1.106 -2.427 -5.659 1.00 0.00 N ATOM 240 CA LEU A 17 -0.618 -2.029 -4.350 1.00 0.00 C ATOM 241 C LEU A 17 -0.488 -0.505 -4.300 1.00 0.00 C ATOM 242 O LEU A 17 -0.837 0.118 -3.299 1.00 0.00 O ATOM 243 CB LEU A 17 0.679 -2.767 -4.014 1.00 0.00 C ATOM 244 CG LEU A 17 0.533 -4.245 -3.643 1.00 0.00 C ATOM 245 CD1 LEU A 17 0.726 -4.454 -2.140 1.00 0.00 C ATOM 246 CD2 LEU A 17 -0.804 -4.804 -4.132 1.00 0.00 C ATOM 0 H LEU A 17 -0.483 -3.048 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.330 -2.315 -3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.349 -2.692 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.163 -2.251 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 17 1.320 -4.804 -4.150 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.617 -5.512 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.722 -4.118 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.023 -3.881 -1.594 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.882 -5.855 -3.855 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.621 -4.247 -3.674 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.863 -4.709 -5.216 1.00 0.00 H new ATOM 258 N GLN A 18 0.012 0.050 -5.394 1.00 0.00 N ATOM 259 CA GLN A 18 0.192 1.489 -5.487 1.00 0.00 C ATOM 260 C GLN A 18 -1.122 2.209 -5.180 1.00 0.00 C ATOM 261 O GLN A 18 -1.149 3.145 -4.382 1.00 0.00 O ATOM 262 CB GLN A 18 0.726 1.887 -6.865 1.00 0.00 C ATOM 263 CG GLN A 18 0.856 3.406 -6.984 1.00 0.00 C ATOM 264 CD GLN A 18 0.226 3.910 -8.285 1.00 0.00 C ATOM 265 OE1 GLN A 18 -0.729 4.669 -8.289 1.00 0.00 O ATOM 266 NE2 GLN A 18 0.812 3.445 -9.386 1.00 0.00 N ATOM 0 H GLN A 18 0.298 -0.470 -6.223 1.00 0.00 H new ATOM 0 HA GLN A 18 0.932 1.792 -4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.697 1.421 -7.031 1.00 0.00 H new ATOM 0 HB3 GLN A 18 0.057 1.514 -7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.372 3.884 -6.132 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.908 3.688 -6.952 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.608 2.812 -9.311 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.465 3.722 -10.304 1.00 0.00 H new ATOM 275 N GLU A 19 -2.180 1.745 -5.828 1.00 0.00 N ATOM 276 CA GLU A 19 -3.495 2.332 -5.633 1.00 0.00 C ATOM 277 C GLU A 19 -3.911 2.227 -4.165 1.00 0.00 C ATOM 278 O GLU A 19 -4.382 3.199 -3.578 1.00 0.00 O ATOM 279 CB GLU A 19 -4.531 1.674 -6.547 1.00 0.00 C ATOM 280 CG GLU A 19 -4.584 2.371 -7.908 1.00 0.00 C ATOM 281 CD GLU A 19 -6.028 2.687 -8.305 1.00 0.00 C ATOM 282 OE1 GLU A 19 -6.720 1.823 -8.862 1.00 0.00 O ATOM 283 OE2 GLU A 19 -6.424 3.880 -8.016 1.00 0.00 O ATOM 0 H GLU A 19 -2.154 0.969 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.443 3.388 -5.900 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.284 0.621 -6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.513 1.713 -6.076 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.003 3.292 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.126 1.735 -8.665 1.00 0.00 H new ATOM 291 N GLN A 20 -3.723 1.036 -3.614 1.00 0.00 N ATOM 292 CA GLN A 20 -4.075 0.790 -2.226 1.00 0.00 C ATOM 293 C GLN A 20 -3.234 1.673 -1.302 1.00 0.00 C ATOM 294 O GLN A 20 -3.726 2.159 -0.285 1.00 0.00 O ATOM 295 CB GLN A 20 -3.908 -0.689 -1.871 1.00 0.00 C ATOM 296 CG GLN A 20 -3.754 -0.877 -0.361 1.00 0.00 C ATOM 297 CD GLN A 20 -4.159 -2.291 0.060 1.00 0.00 C ATOM 298 OE1 GLN A 20 -3.405 -3.021 0.683 1.00 0.00 O ATOM 299 NE2 GLN A 20 -5.387 -2.636 -0.316 1.00 0.00 N ATOM 0 H GLN A 20 -3.332 0.232 -4.104 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.125 1.047 -2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.772 -1.251 -2.225 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.034 -1.093 -2.382 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.720 -0.690 -0.071 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.370 -0.147 0.165 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.966 -1.976 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.750 -3.561 -0.085 1.00 0.00 H new ATOM 308 N ASN A 21 -1.980 1.854 -1.688 1.00 0.00 N ATOM 309 CA ASN A 21 -1.066 2.670 -0.907 1.00 0.00 C ATOM 310 C ASN A 21 -1.646 4.078 -0.759 1.00 0.00 C ATOM 311 O ASN A 21 -1.723 4.608 0.349 1.00 0.00 O ATOM 312 CB ASN A 21 0.293 2.789 -1.598 1.00 0.00 C ATOM 313 CG ASN A 21 1.245 1.685 -1.130 1.00 0.00 C ATOM 314 OD1 ASN A 21 0.982 0.490 -1.651 1.00 0.00 O flip ATOM 315 ND2 ASN A 21 2.155 1.904 -0.349 1.00 0.00 N flip ATOM 0 H ASN A 21 -1.575 1.449 -2.532 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.936 2.195 0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.162 2.728 -2.678 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.729 3.765 -1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.301 2.846 0.013 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.771 1.145 -0.057 1.00 0.00 H new ATOM 322 N TYR A 22 -2.038 4.644 -1.891 1.00 0.00 N ATOM 323 CA TYR A 22 -2.609 5.980 -1.902 1.00 0.00 C ATOM 324 C TYR A 22 -3.973 5.999 -1.209 1.00 0.00 C ATOM 325 O TYR A 22 -4.387 7.026 -0.673 1.00 0.00 O ATOM 326 CB TYR A 22 -2.794 6.348 -3.375 1.00 0.00 C ATOM 327 CG TYR A 22 -1.613 7.110 -3.979 1.00 0.00 C ATOM 328 CD1 TYR A 22 -1.325 8.390 -3.551 1.00 0.00 C ATOM 329 CD2 TYR A 22 -0.834 6.517 -4.952 1.00 0.00 C ATOM 330 CE1 TYR A 22 -0.213 9.108 -4.119 1.00 0.00 C ATOM 331 CE2 TYR A 22 0.279 7.234 -5.519 1.00 0.00 C ATOM 332 CZ TYR A 22 0.534 8.494 -5.075 1.00 0.00 C ATOM 333 OH TYR A 22 1.584 9.172 -5.612 1.00 0.00 O ATOM 0 H TYR A 22 -1.971 4.201 -2.808 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.959 6.679 -1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.956 5.436 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -3.694 6.954 -3.477 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.934 8.854 -2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.059 5.516 -5.288 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.022 10.111 -3.793 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.897 6.781 -6.280 1.00 0.00 H new ATOM 0 HH TYR A 22 2.028 8.611 -6.281 1.00 0.00 H new ATOM 343 N HIS A 23 -4.634 4.852 -1.242 1.00 0.00 N ATOM 344 CA HIS A 23 -5.943 4.724 -0.624 1.00 0.00 C ATOM 345 C HIS A 23 -5.782 4.544 0.887 1.00 0.00 C ATOM 346 O HIS A 23 -6.627 4.989 1.662 1.00 0.00 O ATOM 347 CB HIS A 23 -6.743 3.592 -1.273 1.00 0.00 C ATOM 348 CG HIS A 23 -7.414 3.980 -2.569 1.00 0.00 C ATOM 349 ND1 HIS A 23 -8.327 3.164 -3.214 1.00 0.00 N ATOM 350 CD2 HIS A 23 -7.295 5.103 -3.334 1.00 0.00 C ATOM 351 CE1 HIS A 23 -8.732 3.778 -4.315 1.00 0.00 C ATOM 352 NE2 HIS A 23 -8.092 4.980 -4.388 1.00 0.00 N ATOM 0 H HIS A 23 -4.288 4.002 -1.687 1.00 0.00 H new ATOM 0 HA HIS A 23 -6.516 5.636 -0.788 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.076 2.750 -1.459 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.503 3.249 -0.571 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.660 5.949 -3.118 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -9.445 3.394 -5.030 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -8.207 5.670 -5.130 1.00 0.00 H new ATOM 360 N LEU A 24 -4.691 3.892 1.260 1.00 0.00 N ATOM 361 CA LEU A 24 -4.407 3.649 2.664 1.00 0.00 C ATOM 362 C LEU A 24 -3.794 4.908 3.282 1.00 0.00 C ATOM 363 O LEU A 24 -3.948 5.154 4.477 1.00 0.00 O ATOM 364 CB LEU A 24 -3.540 2.399 2.827 1.00 0.00 C ATOM 365 CG LEU A 24 -4.088 1.321 3.764 1.00 0.00 C ATOM 366 CD1 LEU A 24 -5.590 1.122 3.552 1.00 0.00 C ATOM 367 CD2 LEU A 24 -3.309 0.013 3.608 1.00 0.00 C ATOM 0 H LEU A 24 -3.993 3.524 0.614 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.328 3.443 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.389 1.955 1.843 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.560 2.706 3.192 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.950 1.658 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.954 0.350 4.230 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.113 2.057 3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.775 0.816 2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.718 -0.737 4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.394 -0.341 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.259 0.184 3.847 1.00 0.00 H new ATOM 379 N GLU A 25 -3.113 5.670 2.440 1.00 0.00 N ATOM 380 CA GLU A 25 -2.476 6.897 2.888 1.00 0.00 C ATOM 381 C GLU A 25 -3.523 7.995 3.090 1.00 0.00 C ATOM 382 O GLU A 25 -3.462 8.744 4.064 1.00 0.00 O ATOM 383 CB GLU A 25 -1.395 7.344 1.904 1.00 0.00 C ATOM 384 CG GLU A 25 -0.852 8.726 2.277 1.00 0.00 C ATOM 385 CD GLU A 25 0.183 9.202 1.255 1.00 0.00 C ATOM 386 OE1 GLU A 25 1.225 8.554 1.078 1.00 0.00 O ATOM 387 OE2 GLU A 25 -0.128 10.288 0.631 1.00 0.00 O ATOM 0 H GLU A 25 -2.988 5.462 1.449 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.991 6.704 3.845 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.581 6.619 1.898 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.805 7.371 0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.673 9.441 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.399 8.688 3.268 1.00 0.00 H new ATOM 395 N ASN A 26 -4.457 8.056 2.153 1.00 0.00 N ATOM 396 CA ASN A 26 -5.515 9.051 2.214 1.00 0.00 C ATOM 397 C ASN A 26 -6.593 8.582 3.196 1.00 0.00 C ATOM 398 O ASN A 26 -7.282 9.400 3.802 1.00 0.00 O ATOM 399 CB ASN A 26 -6.173 9.241 0.846 1.00 0.00 C ATOM 400 CG ASN A 26 -5.232 9.967 -0.117 1.00 0.00 C ATOM 401 OD1 ASN A 26 -4.470 10.842 0.260 1.00 0.00 O ATOM 402 ND2 ASN A 26 -5.328 9.556 -1.378 1.00 0.00 N ATOM 0 H ASN A 26 -4.504 7.433 1.347 1.00 0.00 H new ATOM 0 HA ASN A 26 -5.073 9.994 2.535 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.446 8.271 0.431 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.096 9.811 0.958 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -4.742 9.978 -2.098 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.988 8.818 -1.625 1.00 0.00 H new ATOM 409 N GLU A 27 -6.702 7.268 3.321 1.00 0.00 N ATOM 410 CA GLU A 27 -7.684 6.681 4.217 1.00 0.00 C ATOM 411 C GLU A 27 -7.270 6.899 5.673 1.00 0.00 C ATOM 412 O GLU A 27 -8.075 7.339 6.493 1.00 0.00 O ATOM 413 CB GLU A 27 -7.877 5.192 3.919 1.00 0.00 C ATOM 414 CG GLU A 27 -8.709 4.519 5.013 1.00 0.00 C ATOM 415 CD GLU A 27 -9.298 3.196 4.518 1.00 0.00 C ATOM 416 OE1 GLU A 27 -10.485 3.138 4.167 1.00 0.00 O ATOM 417 OE2 GLU A 27 -8.473 2.205 4.502 1.00 0.00 O ATOM 0 H GLU A 27 -6.127 6.593 2.817 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.640 7.178 4.053 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -8.371 5.071 2.955 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.906 4.703 3.843 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.086 4.339 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.513 5.185 5.325 1.00 0.00 H new ATOM 425 N VAL A 28 -6.013 6.582 5.952 1.00 0.00 N ATOM 426 CA VAL A 28 -5.482 6.738 7.295 1.00 0.00 C ATOM 427 C VAL A 28 -5.390 8.228 7.633 1.00 0.00 C ATOM 428 O VAL A 28 -5.762 8.644 8.728 1.00 0.00 O ATOM 429 CB VAL A 28 -4.140 6.014 7.415 1.00 0.00 C ATOM 430 CG1 VAL A 28 -2.977 6.963 7.120 1.00 0.00 C ATOM 431 CG2 VAL A 28 -3.986 5.369 8.794 1.00 0.00 C ATOM 0 H VAL A 28 -5.348 6.218 5.270 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.149 6.280 8.025 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.120 5.219 6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.035 6.423 7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.074 7.353 6.107 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.993 7.790 7.830 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.023 4.861 8.853 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.037 6.139 9.564 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.787 4.647 8.949 1.00 0.00 H new ATOM 441 N ALA A 29 -4.891 8.990 6.671 1.00 0.00 N ATOM 442 CA ALA A 29 -4.745 10.424 6.852 1.00 0.00 C ATOM 443 C ALA A 29 -6.124 11.049 7.072 1.00 0.00 C ATOM 444 O ALA A 29 -6.362 11.692 8.094 1.00 0.00 O ATOM 445 CB ALA A 29 -4.022 11.021 5.643 1.00 0.00 C ATOM 0 H ALA A 29 -4.583 8.641 5.763 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.140 10.639 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.913 12.097 5.779 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.036 10.565 5.547 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.601 10.827 4.740 1.00 0.00 H new ATOM 451 N ARG A 30 -6.996 10.838 6.098 1.00 0.00 N ATOM 452 CA ARG A 30 -8.346 11.373 6.172 1.00 0.00 C ATOM 453 C ARG A 30 -9.085 10.783 7.375 1.00 0.00 C ATOM 454 O ARG A 30 -10.033 11.381 7.881 1.00 0.00 O ATOM 455 CB ARG A 30 -9.132 11.064 4.897 1.00 0.00 C ATOM 456 CG ARG A 30 -9.645 9.623 4.905 1.00 0.00 C ATOM 457 CD ARG A 30 -11.114 9.566 5.331 1.00 0.00 C ATOM 458 NE ARG A 30 -11.990 9.811 4.164 1.00 0.00 N ATOM 459 CZ ARG A 30 -12.165 8.934 3.152 1.00 0.00 C ATOM 460 NH1 ARG A 30 -11.526 7.745 3.158 1.00 0.00 N ATOM 461 NH2 ARG A 30 -12.972 9.256 2.158 1.00 0.00 N ATOM 0 H ARG A 30 -6.795 10.304 5.253 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.269 12.455 6.283 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -9.972 11.752 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.496 11.223 4.026 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.534 9.188 3.912 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.042 9.022 5.586 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.337 8.592 5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.306 10.311 6.103 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.493 10.697 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.906 7.503 3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.664 7.088 2.390 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.452 10.156 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.115 8.605 1.386 1.00 0.00 H new ATOM 474 N LEU A 31 -8.623 9.614 7.797 1.00 0.00 N ATOM 475 CA LEU A 31 -9.229 8.936 8.931 1.00 0.00 C ATOM 476 C LEU A 31 -8.867 9.680 10.217 1.00 0.00 C ATOM 477 O LEU A 31 -9.739 9.984 11.029 1.00 0.00 O ATOM 478 CB LEU A 31 -8.835 7.457 8.943 1.00 0.00 C ATOM 479 CG LEU A 31 -9.062 6.714 10.261 1.00 0.00 C ATOM 480 CD1 LEU A 31 -10.519 6.265 10.393 1.00 0.00 C ATOM 481 CD2 LEU A 31 -8.087 5.544 10.405 1.00 0.00 C ATOM 0 H LEU A 31 -7.837 9.120 7.374 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.316 8.952 8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.394 6.946 8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.779 7.380 8.683 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.862 7.403 11.081 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.654 5.739 11.338 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.172 7.137 10.366 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -10.770 5.598 9.568 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.269 5.033 11.350 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.232 4.846 9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.064 5.919 10.387 1.00 0.00 H new ATOM 493 N LYS A 32 -7.578 9.951 10.364 1.00 0.00 N ATOM 494 CA LYS A 32 -7.090 10.653 11.539 1.00 0.00 C ATOM 495 C LYS A 32 -7.782 12.014 11.639 1.00 0.00 C ATOM 496 O LYS A 32 -8.108 12.470 12.733 1.00 0.00 O ATOM 497 CB LYS A 32 -5.563 10.740 11.515 1.00 0.00 C ATOM 498 CG LYS A 32 -4.936 9.350 11.380 1.00 0.00 C ATOM 499 CD LYS A 32 -3.656 9.405 10.544 1.00 0.00 C ATOM 500 CE LYS A 32 -2.913 8.068 10.593 1.00 0.00 C ATOM 501 NZ LYS A 32 -1.971 8.042 11.735 1.00 0.00 N ATOM 0 H LYS A 32 -6.857 9.697 9.689 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.341 10.100 12.444 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.244 11.369 10.684 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.208 11.216 12.429 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.712 8.951 12.369 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.649 8.669 10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.902 9.651 9.511 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.008 10.199 10.915 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.628 7.251 10.685 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.369 7.913 9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.474 7.128 11.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.278 8.810 11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.498 8.169 12.623 1.00 0.00 H new ATOM 514 N LYS A 33 -7.986 12.624 10.480 1.00 0.00 N ATOM 515 CA LYS A 33 -8.634 13.923 10.423 1.00 0.00 C ATOM 516 C LYS A 33 -10.125 13.759 10.719 1.00 0.00 C ATOM 517 O LYS A 33 -10.694 14.517 11.503 1.00 0.00 O ATOM 518 CB LYS A 33 -8.344 14.609 9.085 1.00 0.00 C ATOM 519 CG LYS A 33 -8.847 16.053 9.089 1.00 0.00 C ATOM 520 CD LYS A 33 -7.680 17.041 9.138 1.00 0.00 C ATOM 521 CE LYS A 33 -7.471 17.709 7.777 1.00 0.00 C ATOM 522 NZ LYS A 33 -7.559 19.181 7.903 1.00 0.00 N ATOM 0 H LYS A 33 -7.714 12.243 9.574 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.228 14.584 11.189 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.272 14.594 8.890 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.823 14.056 8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.445 16.236 8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.499 16.212 9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.874 17.801 9.895 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.770 16.520 9.435 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.497 17.430 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.222 17.353 7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.415 19.618 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.497 19.443 8.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.827 19.518 8.560 1.00 0.00 H new ATOM 535 N LEU A 34 -10.718 12.763 10.075 1.00 0.00 N ATOM 536 CA LEU A 34 -12.132 12.490 10.258 1.00 0.00 C ATOM 537 C LEU A 34 -12.384 12.085 11.712 1.00 0.00 C ATOM 538 O LEU A 34 -13.266 12.637 12.369 1.00 0.00 O ATOM 539 CB LEU A 34 -12.615 11.454 9.240 1.00 0.00 C ATOM 540 CG LEU A 34 -14.129 11.368 9.037 1.00 0.00 C ATOM 541 CD1 LEU A 34 -14.512 11.733 7.601 1.00 0.00 C ATOM 542 CD2 LEU A 34 -14.657 9.989 9.438 1.00 0.00 C ATOM 0 H LEU A 34 -10.243 12.136 9.426 1.00 0.00 H new ATOM 0 HA LEU A 34 -12.720 13.388 10.068 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -12.152 11.675 8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.254 10.473 9.550 1.00 0.00 H new ATOM 0 HG LEU A 34 -14.604 12.099 9.692 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -15.593 11.664 7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -14.188 12.751 7.386 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -14.027 11.044 6.909 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -15.736 9.954 9.284 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -14.178 9.224 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -14.434 9.806 10.489 1.00 0.00 H new ATOM 554 N VAL A 35 -11.594 11.127 12.172 1.00 0.00 N ATOM 555 CA VAL A 35 -11.721 10.642 13.536 1.00 0.00 C ATOM 556 C VAL A 35 -11.429 11.786 14.508 1.00 0.00 C ATOM 557 O VAL A 35 -12.206 12.039 15.427 1.00 0.00 O ATOM 558 CB VAL A 35 -10.810 9.430 13.748 1.00 0.00 C ATOM 559 CG1 VAL A 35 -11.089 8.347 12.704 1.00 0.00 C ATOM 560 CG2 VAL A 35 -9.338 9.842 13.730 1.00 0.00 C ATOM 0 H VAL A 35 -10.863 10.673 11.624 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.739 10.304 13.728 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.029 9.013 14.731 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.429 7.497 12.876 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -12.127 8.023 12.784 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.910 8.749 11.707 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.712 8.963 13.883 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.099 10.295 12.768 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.152 10.562 14.527 1.00 0.00 H new ATOM 719 N VAL B 10 10.611 -3.046 -10.107 1.00 0.00 N ATOM 720 CA VAL B 10 9.213 -3.343 -9.852 1.00 0.00 C ATOM 721 C VAL B 10 9.105 -4.260 -8.631 1.00 0.00 C ATOM 722 O VAL B 10 8.099 -4.243 -7.923 1.00 0.00 O ATOM 723 CB VAL B 10 8.566 -3.939 -11.104 1.00 0.00 C ATOM 724 CG1 VAL B 10 7.253 -4.645 -10.760 1.00 0.00 C ATOM 725 CG2 VAL B 10 8.348 -2.863 -12.171 1.00 0.00 C ATOM 0 HA VAL B 10 8.665 -2.429 -9.623 1.00 0.00 H new ATOM 0 HB VAL B 10 9.248 -4.684 -11.513 1.00 0.00 H new ATOM 0 HG11 VAL B 10 6.814 -5.059 -11.668 1.00 0.00 H new ATOM 0 HG12 VAL B 10 7.447 -5.450 -10.051 1.00 0.00 H new ATOM 0 HG13 VAL B 10 6.561 -3.930 -10.316 1.00 0.00 H new ATOM 0 HG21 VAL B 10 7.887 -3.311 -13.051 1.00 0.00 H new ATOM 0 HG22 VAL B 10 7.694 -2.085 -11.775 1.00 0.00 H new ATOM 0 HG23 VAL B 10 9.307 -2.425 -12.447 1.00 0.00 H new ATOM 735 N ARG B 11 10.157 -5.038 -8.421 1.00 0.00 N ATOM 736 CA ARG B 11 10.194 -5.960 -7.299 1.00 0.00 C ATOM 737 C ARG B 11 10.356 -5.191 -5.985 1.00 0.00 C ATOM 738 O ARG B 11 9.848 -5.613 -4.948 1.00 0.00 O ATOM 739 CB ARG B 11 11.344 -6.958 -7.442 1.00 0.00 C ATOM 740 CG ARG B 11 11.621 -7.670 -6.117 1.00 0.00 C ATOM 741 CD ARG B 11 11.987 -9.138 -6.350 1.00 0.00 C ATOM 742 NE ARG B 11 13.363 -9.398 -5.873 1.00 0.00 N ATOM 743 CZ ARG B 11 13.682 -9.662 -4.588 1.00 0.00 C ATOM 744 NH1 ARG B 11 12.723 -9.703 -3.639 1.00 0.00 N ATOM 745 NH2 ARG B 11 14.945 -9.879 -4.273 1.00 0.00 N ATOM 0 H ARG B 11 10.990 -5.049 -9.009 1.00 0.00 H new ATOM 0 HA ARG B 11 9.252 -6.508 -7.290 1.00 0.00 H new ATOM 0 HB2 ARG B 11 11.099 -7.693 -8.209 1.00 0.00 H new ATOM 0 HB3 ARG B 11 12.242 -6.438 -7.774 1.00 0.00 H new ATOM 0 HG2 ARG B 11 12.434 -7.167 -5.593 1.00 0.00 H new ATOM 0 HG3 ARG B 11 10.742 -7.608 -5.476 1.00 0.00 H new ATOM 0 HD2 ARG B 11 11.283 -9.784 -5.826 1.00 0.00 H new ATOM 0 HD3 ARG B 11 11.910 -9.377 -7.411 1.00 0.00 H new ATOM 0 HE ARG B 11 14.118 -9.376 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG B 11 11.749 -9.534 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG B 11 12.972 -9.903 -2.670 1.00 0.00 H new ATOM 0 HH21 ARG B 11 15.664 -9.846 -4.996 1.00 0.00 H new ATOM 0 HH22 ARG B 11 15.202 -10.080 -3.307 1.00 0.00 H new ATOM 758 N ARG B 12 11.066 -4.075 -6.074 1.00 0.00 N ATOM 759 CA ARG B 12 11.301 -3.244 -4.906 1.00 0.00 C ATOM 760 C ARG B 12 10.080 -2.365 -4.626 1.00 0.00 C ATOM 761 O ARG B 12 9.735 -2.129 -3.469 1.00 0.00 O ATOM 762 CB ARG B 12 12.529 -2.352 -5.103 1.00 0.00 C ATOM 763 CG ARG B 12 12.916 -1.657 -3.797 1.00 0.00 C ATOM 764 CD ARG B 12 12.983 -0.139 -3.983 1.00 0.00 C ATOM 765 NE ARG B 12 14.096 0.420 -3.184 1.00 0.00 N ATOM 766 CZ ARG B 12 14.322 1.742 -3.022 1.00 0.00 C ATOM 767 NH1 ARG B 12 13.510 2.651 -3.601 1.00 0.00 N ATOM 768 NH2 ARG B 12 15.348 2.130 -2.287 1.00 0.00 N ATOM 0 H ARG B 12 11.486 -3.728 -6.936 1.00 0.00 H new ATOM 0 HA ARG B 12 11.479 -3.906 -4.058 1.00 0.00 H new ATOM 0 HB2 ARG B 12 13.365 -2.952 -5.461 1.00 0.00 H new ATOM 0 HB3 ARG B 12 12.321 -1.605 -5.869 1.00 0.00 H new ATOM 0 HG2 ARG B 12 12.189 -1.900 -3.022 1.00 0.00 H new ATOM 0 HG3 ARG B 12 13.882 -2.028 -3.456 1.00 0.00 H new ATOM 0 HD2 ARG B 12 13.125 0.101 -5.037 1.00 0.00 H new ATOM 0 HD3 ARG B 12 12.041 0.315 -3.677 1.00 0.00 H new ATOM 0 HE ARG B 12 14.732 -0.233 -2.727 1.00 0.00 H new ATOM 0 HH11 ARG B 12 12.719 2.342 -4.166 1.00 0.00 H new ATOM 0 HH12 ARG B 12 13.687 3.647 -3.474 1.00 0.00 H new ATOM 0 HH21 ARG B 12 15.955 1.436 -1.852 1.00 0.00 H new ATOM 0 HH22 ARG B 12 15.533 3.124 -2.154 1.00 0.00 H new ATOM 781 N LYS B 13 9.462 -1.906 -5.702 1.00 0.00 N ATOM 782 CA LYS B 13 8.288 -1.059 -5.587 1.00 0.00 C ATOM 783 C LYS B 13 7.102 -1.899 -5.105 1.00 0.00 C ATOM 784 O LYS B 13 6.286 -1.431 -4.314 1.00 0.00 O ATOM 785 CB LYS B 13 8.025 -0.323 -6.902 1.00 0.00 C ATOM 786 CG LYS B 13 7.675 1.146 -6.650 1.00 0.00 C ATOM 787 CD LYS B 13 7.543 1.912 -7.967 1.00 0.00 C ATOM 788 CE LYS B 13 6.917 3.289 -7.740 1.00 0.00 C ATOM 789 NZ LYS B 13 6.650 3.958 -9.033 1.00 0.00 N ATOM 0 H LYS B 13 9.752 -2.105 -6.659 1.00 0.00 H new ATOM 0 HA LYS B 13 8.453 -0.281 -4.841 1.00 0.00 H new ATOM 0 HB2 LYS B 13 8.906 -0.386 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS B 13 7.209 -0.808 -7.437 1.00 0.00 H new ATOM 0 HG2 LYS B 13 6.741 1.210 -6.093 1.00 0.00 H new ATOM 0 HG3 LYS B 13 8.447 1.607 -6.033 1.00 0.00 H new ATOM 0 HD2 LYS B 13 8.525 2.026 -8.425 1.00 0.00 H new ATOM 0 HD3 LYS B 13 6.930 1.341 -8.664 1.00 0.00 H new ATOM 0 HE2 LYS B 13 5.988 3.184 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS B 13 7.585 3.904 -7.137 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 6.225 4.891 -8.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.542 4.075 -9.554 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 5.995 3.378 -9.595 1.00 0.00 H new ATOM 802 N ILE B 14 7.047 -3.125 -5.605 1.00 0.00 N ATOM 803 CA ILE B 14 5.975 -4.035 -5.235 1.00 0.00 C ATOM 804 C ILE B 14 6.138 -4.439 -3.769 1.00 0.00 C ATOM 805 O ILE B 14 5.187 -4.369 -2.993 1.00 0.00 O ATOM 806 CB ILE B 14 5.927 -5.224 -6.198 1.00 0.00 C ATOM 807 CG1 ILE B 14 4.541 -5.872 -6.198 1.00 0.00 C ATOM 808 CG2 ILE B 14 7.033 -6.233 -5.881 1.00 0.00 C ATOM 809 CD1 ILE B 14 4.074 -6.168 -4.772 1.00 0.00 C ATOM 0 H ILE B 14 7.726 -3.509 -6.262 1.00 0.00 H new ATOM 0 HA ILE B 14 5.008 -3.541 -5.324 1.00 0.00 H new ATOM 0 HB ILE B 14 6.110 -4.855 -7.207 1.00 0.00 H new ATOM 0 HG12 ILE B 14 3.827 -5.211 -6.688 1.00 0.00 H new ATOM 0 HG13 ILE B 14 4.568 -6.796 -6.775 1.00 0.00 H new ATOM 0 HG21 ILE B 14 6.976 -7.067 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE B 14 8.005 -5.748 -5.973 1.00 0.00 H new ATOM 0 HG23 ILE B 14 6.907 -6.603 -4.863 1.00 0.00 H new ATOM 0 HD11 ILE B 14 3.086 -6.628 -4.801 1.00 0.00 H new ATOM 0 HD12 ILE B 14 4.778 -6.849 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE B 14 4.025 -5.238 -4.205 1.00 0.00 H new ATOM 821 N ARG B 15 7.351 -4.853 -3.432 1.00 0.00 N ATOM 822 CA ARG B 15 7.650 -5.268 -2.073 1.00 0.00 C ATOM 823 C ARG B 15 7.451 -4.099 -1.105 1.00 0.00 C ATOM 824 O ARG B 15 6.821 -4.255 -0.060 1.00 0.00 O ATOM 825 CB ARG B 15 9.088 -5.778 -1.956 1.00 0.00 C ATOM 826 CG ARG B 15 9.270 -6.620 -0.691 1.00 0.00 C ATOM 827 CD ARG B 15 10.701 -7.153 -0.589 1.00 0.00 C ATOM 828 NE ARG B 15 11.176 -7.062 0.809 1.00 0.00 N ATOM 829 CZ ARG B 15 12.368 -7.532 1.236 1.00 0.00 C ATOM 830 NH1 ARG B 15 13.217 -8.130 0.373 1.00 0.00 N ATOM 831 NH2 ARG B 15 12.690 -7.397 2.509 1.00 0.00 N ATOM 0 H ARG B 15 8.138 -4.910 -4.078 1.00 0.00 H new ATOM 0 HA ARG B 15 6.967 -6.078 -1.816 1.00 0.00 H new ATOM 0 HB2 ARG B 15 9.339 -6.374 -2.833 1.00 0.00 H new ATOM 0 HB3 ARG B 15 9.777 -4.933 -1.937 1.00 0.00 H new ATOM 0 HG2 ARG B 15 9.039 -6.018 0.188 1.00 0.00 H new ATOM 0 HG3 ARG B 15 8.567 -7.453 -0.700 1.00 0.00 H new ATOM 0 HD2 ARG B 15 10.737 -8.188 -0.927 1.00 0.00 H new ATOM 0 HD3 ARG B 15 11.359 -6.581 -1.243 1.00 0.00 H new ATOM 0 HE ARG B 15 10.565 -6.616 1.493 1.00 0.00 H new ATOM 0 HH11 ARG B 15 12.960 -8.229 -0.609 1.00 0.00 H new ATOM 0 HH12 ARG B 15 14.115 -8.482 0.703 1.00 0.00 H new ATOM 0 HH21 ARG B 15 12.043 -6.943 3.154 1.00 0.00 H new ATOM 0 HH22 ARG B 15 13.586 -7.746 2.848 1.00 0.00 H new ATOM 844 N SER B 16 7.999 -2.956 -1.488 1.00 0.00 N ATOM 845 CA SER B 16 7.889 -1.761 -0.668 1.00 0.00 C ATOM 846 C SER B 16 6.416 -1.402 -0.461 1.00 0.00 C ATOM 847 O SER B 16 5.975 -1.206 0.671 1.00 0.00 O ATOM 848 CB SER B 16 8.637 -0.586 -1.302 1.00 0.00 C ATOM 849 OG SER B 16 8.801 0.497 -0.391 1.00 0.00 O ATOM 0 H SER B 16 8.521 -2.831 -2.356 1.00 0.00 H new ATOM 0 HA SER B 16 8.346 -1.968 0.300 1.00 0.00 H new ATOM 0 HB2 SER B 16 9.615 -0.922 -1.645 1.00 0.00 H new ATOM 0 HB3 SER B 16 8.092 -0.241 -2.181 1.00 0.00 H new ATOM 0 HG SER B 16 9.284 1.226 -0.833 1.00 0.00 H new ATOM 855 N LEU B 17 5.696 -1.327 -1.570 1.00 0.00 N ATOM 856 CA LEU B 17 4.283 -0.995 -1.524 1.00 0.00 C ATOM 857 C LEU B 17 3.564 -1.975 -0.594 1.00 0.00 C ATOM 858 O LEU B 17 2.674 -1.581 0.160 1.00 0.00 O ATOM 859 CB LEU B 17 3.697 -0.947 -2.937 1.00 0.00 C ATOM 860 CG LEU B 17 4.082 0.270 -3.780 1.00 0.00 C ATOM 861 CD1 LEU B 17 3.667 0.078 -5.241 1.00 0.00 C ATOM 862 CD2 LEU B 17 3.504 1.555 -3.185 1.00 0.00 C ATOM 0 H LEU B 17 6.065 -1.491 -2.507 1.00 0.00 H new ATOM 0 HA LEU B 17 4.140 0.003 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU B 17 4.008 -1.846 -3.469 1.00 0.00 H new ATOM 0 HB3 LEU B 17 2.610 -0.982 -2.860 1.00 0.00 H new ATOM 0 HG LEU B 17 5.168 0.367 -3.763 1.00 0.00 H new ATOM 0 HD11 LEU B 17 3.952 0.957 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU B 17 4.166 -0.801 -5.648 1.00 0.00 H new ATOM 0 HD13 LEU B 17 2.587 -0.059 -5.298 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.793 2.405 -3.804 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.417 1.484 -3.151 1.00 0.00 H new ATOM 0 HD23 LEU B 17 3.890 1.694 -2.175 1.00 0.00 H new ATOM 874 N GLN B 18 3.975 -3.232 -0.677 1.00 0.00 N ATOM 875 CA GLN B 18 3.381 -4.270 0.147 1.00 0.00 C ATOM 876 C GLN B 18 3.551 -3.933 1.629 1.00 0.00 C ATOM 877 O GLN B 18 2.603 -4.032 2.406 1.00 0.00 O ATOM 878 CB GLN B 18 3.983 -5.639 -0.177 1.00 0.00 C ATOM 879 CG GLN B 18 3.439 -6.714 0.766 1.00 0.00 C ATOM 880 CD GLN B 18 3.805 -8.115 0.270 1.00 0.00 C ATOM 881 OE1 GLN B 18 3.000 -9.031 0.268 1.00 0.00 O ATOM 882 NE2 GLN B 18 5.063 -8.228 -0.149 1.00 0.00 N ATOM 0 H GLN B 18 4.713 -3.555 -1.303 1.00 0.00 H new ATOM 0 HA GLN B 18 2.315 -4.317 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN B 18 3.754 -5.906 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.069 -5.592 -0.093 1.00 0.00 H new ATOM 0 HG2 GLN B 18 3.842 -6.562 1.767 1.00 0.00 H new ATOM 0 HG3 GLN B 18 2.355 -6.622 0.841 1.00 0.00 H new ATOM 0 HE21 GLN B 18 5.685 -7.420 -0.120 1.00 0.00 H new ATOM 0 HE22 GLN B 18 5.405 -9.123 -0.499 1.00 0.00 H new ATOM 891 N GLU B 19 4.769 -3.541 1.978 1.00 0.00 N ATOM 892 CA GLU B 19 5.076 -3.189 3.354 1.00 0.00 C ATOM 893 C GLU B 19 4.182 -2.038 3.820 1.00 0.00 C ATOM 894 O GLU B 19 3.637 -2.078 4.922 1.00 0.00 O ATOM 895 CB GLU B 19 6.556 -2.832 3.511 1.00 0.00 C ATOM 896 CG GLU B 19 7.447 -4.030 3.177 1.00 0.00 C ATOM 897 CD GLU B 19 8.785 -3.940 3.912 1.00 0.00 C ATOM 898 OE1 GLU B 19 8.888 -4.375 5.068 1.00 0.00 O ATOM 899 OE2 GLU B 19 9.742 -3.394 3.239 1.00 0.00 O ATOM 0 H GLU B 19 5.554 -3.460 1.332 1.00 0.00 H new ATOM 0 HA GLU B 19 4.876 -4.056 3.984 1.00 0.00 H new ATOM 0 HB2 GLU B 19 6.804 -1.996 2.856 1.00 0.00 H new ATOM 0 HB3 GLU B 19 6.748 -2.505 4.533 1.00 0.00 H new ATOM 0 HG2 GLU B 19 6.938 -4.954 3.452 1.00 0.00 H new ATOM 0 HG3 GLU B 19 7.621 -4.070 2.102 1.00 0.00 H new ATOM 907 N GLN B 20 4.058 -1.041 2.957 1.00 0.00 N ATOM 908 CA GLN B 20 3.240 0.120 3.265 1.00 0.00 C ATOM 909 C GLN B 20 1.762 -0.275 3.326 1.00 0.00 C ATOM 910 O GLN B 20 0.990 0.314 4.080 1.00 0.00 O ATOM 911 CB GLN B 20 3.468 1.239 2.248 1.00 0.00 C ATOM 912 CG GLN B 20 2.485 2.391 2.470 1.00 0.00 C ATOM 913 CD GLN B 20 2.921 3.640 1.701 1.00 0.00 C ATOM 914 OE1 GLN B 20 2.317 4.038 0.719 1.00 0.00 O ATOM 915 NE2 GLN B 20 4.003 4.232 2.201 1.00 0.00 N ATOM 0 H GLN B 20 4.511 -1.013 2.043 1.00 0.00 H new ATOM 0 HA GLN B 20 3.536 0.500 4.243 1.00 0.00 H new ATOM 0 HB2 GLN B 20 4.490 1.608 2.331 1.00 0.00 H new ATOM 0 HB3 GLN B 20 3.352 0.846 1.238 1.00 0.00 H new ATOM 0 HG2 GLN B 20 1.488 2.090 2.147 1.00 0.00 H new ATOM 0 HG3 GLN B 20 2.420 2.619 3.534 1.00 0.00 H new ATOM 0 HE21 GLN B 20 4.460 3.845 3.027 1.00 0.00 H new ATOM 0 HE22 GLN B 20 4.375 5.072 1.758 1.00 0.00 H new ATOM 924 N ASN B 21 1.414 -1.268 2.520 1.00 0.00 N ATOM 925 CA ASN B 21 0.044 -1.746 2.472 1.00 0.00 C ATOM 926 C ASN B 21 -0.340 -2.318 3.839 1.00 0.00 C ATOM 927 O ASN B 21 -1.428 -2.048 4.345 1.00 0.00 O ATOM 928 CB ASN B 21 -0.115 -2.858 1.432 1.00 0.00 C ATOM 929 CG ASN B 21 -0.690 -2.308 0.125 1.00 0.00 C ATOM 930 OD1 ASN B 21 -1.407 -2.979 -0.598 1.00 0.00 O ATOM 931 ND2 ASN B 21 -0.335 -1.053 -0.135 1.00 0.00 N ATOM 0 H ASN B 21 2.058 -1.754 1.895 1.00 0.00 H new ATOM 0 HA ASN B 21 -0.597 -0.907 2.203 1.00 0.00 H new ATOM 0 HB2 ASN B 21 0.852 -3.323 1.241 1.00 0.00 H new ATOM 0 HB3 ASN B 21 -0.771 -3.636 1.823 1.00 0.00 H new ATOM 0 HD21 ASN B 21 -0.666 -0.595 -0.984 1.00 0.00 H new ATOM 0 HD22 ASN B 21 0.269 -0.549 0.514 1.00 0.00 H new ATOM 938 N TYR B 22 0.574 -3.099 4.396 1.00 0.00 N ATOM 939 CA TYR B 22 0.345 -3.711 5.693 1.00 0.00 C ATOM 940 C TYR B 22 0.578 -2.706 6.823 1.00 0.00 C ATOM 941 O TYR B 22 0.044 -2.864 7.919 1.00 0.00 O ATOM 942 CB TYR B 22 1.369 -4.842 5.813 1.00 0.00 C ATOM 943 CG TYR B 22 1.081 -5.826 6.949 1.00 0.00 C ATOM 944 CD1 TYR B 22 1.334 -5.463 8.256 1.00 0.00 C ATOM 945 CD2 TYR B 22 0.568 -7.075 6.666 1.00 0.00 C ATOM 946 CE1 TYR B 22 1.063 -6.388 9.325 1.00 0.00 C ATOM 947 CE2 TYR B 22 0.296 -8.001 7.735 1.00 0.00 C ATOM 948 CZ TYR B 22 0.557 -7.612 9.012 1.00 0.00 C ATOM 949 OH TYR B 22 0.301 -8.486 10.021 1.00 0.00 O ATOM 0 H TYR B 22 1.475 -3.322 3.972 1.00 0.00 H new ATOM 0 HA TYR B 22 -0.682 -4.067 5.773 1.00 0.00 H new ATOM 0 HB2 TYR B 22 1.402 -5.390 4.871 1.00 0.00 H new ATOM 0 HB3 TYR B 22 2.358 -4.408 5.964 1.00 0.00 H new ATOM 0 HD1 TYR B 22 1.735 -4.485 8.477 1.00 0.00 H new ATOM 0 HD2 TYR B 22 0.370 -7.358 5.643 1.00 0.00 H new ATOM 0 HE1 TYR B 22 1.257 -6.117 10.352 1.00 0.00 H new ATOM 0 HE2 TYR B 22 -0.106 -8.982 7.527 1.00 0.00 H new ATOM 0 HH TYR B 22 -0.058 -9.319 9.649 1.00 0.00 H new ATOM 959 N HIS B 23 1.378 -1.695 6.516 1.00 0.00 N ATOM 960 CA HIS B 23 1.688 -0.664 7.492 1.00 0.00 C ATOM 961 C HIS B 23 0.485 0.267 7.657 1.00 0.00 C ATOM 962 O HIS B 23 0.114 0.616 8.776 1.00 0.00 O ATOM 963 CB HIS B 23 2.966 0.082 7.105 1.00 0.00 C ATOM 964 CG HIS B 23 3.533 0.943 8.210 1.00 0.00 C ATOM 965 ND1 HIS B 23 3.157 2.262 8.401 1.00 0.00 N ATOM 966 CD2 HIS B 23 4.450 0.659 9.178 1.00 0.00 C ATOM 967 CE1 HIS B 23 3.825 2.740 9.440 1.00 0.00 C ATOM 968 NE2 HIS B 23 4.626 1.745 9.920 1.00 0.00 N ATOM 0 H HIS B 23 1.821 -1.568 5.606 1.00 0.00 H new ATOM 0 HA HIS B 23 1.883 -1.123 8.461 1.00 0.00 H new ATOM 0 HB2 HIS B 23 3.720 -0.644 6.800 1.00 0.00 H new ATOM 0 HB3 HIS B 23 2.760 0.710 6.238 1.00 0.00 H new ATOM 0 HD2 HIS B 23 4.949 -0.289 9.317 1.00 0.00 H new ATOM 0 HE1 HIS B 23 3.749 3.741 9.837 1.00 0.00 H new ATOM 0 HE2 HIS B 23 5.256 1.823 10.718 1.00 0.00 H new ATOM 976 N LEU B 24 -0.093 0.641 6.524 1.00 0.00 N ATOM 977 CA LEU B 24 -1.246 1.524 6.529 1.00 0.00 C ATOM 978 C LEU B 24 -2.504 0.712 6.847 1.00 0.00 C ATOM 979 O LEU B 24 -3.466 1.242 7.399 1.00 0.00 O ATOM 980 CB LEU B 24 -1.333 2.300 5.213 1.00 0.00 C ATOM 981 CG LEU B 24 -0.284 3.394 5.009 1.00 0.00 C ATOM 982 CD1 LEU B 24 1.026 3.036 5.715 1.00 0.00 C ATOM 983 CD2 LEU B 24 -0.072 3.682 3.521 1.00 0.00 C ATOM 0 H LEU B 24 0.216 0.348 5.597 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.145 2.277 7.311 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.254 1.590 4.390 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.321 2.755 5.147 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.656 4.312 5.464 1.00 0.00 H new ATOM 0 HD11 LEU B 24 1.755 3.830 5.554 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.844 2.921 6.784 1.00 0.00 H new ATOM 0 HD13 LEU B 24 1.413 2.101 5.311 1.00 0.00 H new ATOM 0 HD21 LEU B 24 0.679 4.464 3.405 1.00 0.00 H new ATOM 0 HD22 LEU B 24 0.267 2.776 3.020 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -1.011 4.012 3.077 1.00 0.00 H new ATOM 995 N GLU B 25 -2.454 -0.562 6.487 1.00 0.00 N ATOM 996 CA GLU B 25 -3.576 -1.453 6.728 1.00 0.00 C ATOM 997 C GLU B 25 -3.721 -1.731 8.225 1.00 0.00 C ATOM 998 O GLU B 25 -4.824 -1.678 8.767 1.00 0.00 O ATOM 999 CB GLU B 25 -3.421 -2.755 5.941 1.00 0.00 C ATOM 1000 CG GLU B 25 -4.377 -3.829 6.464 1.00 0.00 C ATOM 1001 CD GLU B 25 -4.194 -5.144 5.703 1.00 0.00 C ATOM 1002 OE1 GLU B 25 -4.041 -5.132 4.472 1.00 0.00 O ATOM 1003 OE2 GLU B 25 -4.213 -6.205 6.436 1.00 0.00 O ATOM 0 H GLU B 25 -1.653 -0.999 6.030 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.485 -0.963 6.380 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.618 -2.571 4.885 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -2.393 -3.110 6.017 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.200 -3.992 7.527 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.406 -3.486 6.362 1.00 0.00 H new ATOM 1011 N ASN B 26 -2.590 -2.021 8.853 1.00 0.00 N ATOM 1012 CA ASN B 26 -2.578 -2.308 10.277 1.00 0.00 C ATOM 1013 C ASN B 26 -2.739 -1.002 11.058 1.00 0.00 C ATOM 1014 O ASN B 26 -3.426 -0.965 12.077 1.00 0.00 O ATOM 1015 CB ASN B 26 -1.254 -2.950 10.698 1.00 0.00 C ATOM 1016 CG ASN B 26 -0.238 -1.886 11.118 1.00 0.00 C ATOM 1017 OD1 ASN B 26 -0.414 -1.173 12.092 1.00 0.00 O ATOM 1018 ND2 ASN B 26 0.832 -1.820 10.331 1.00 0.00 N ATOM 0 H ASN B 26 -1.676 -2.063 8.401 1.00 0.00 H new ATOM 0 HA ASN B 26 -3.397 -2.996 10.489 1.00 0.00 H new ATOM 0 HB2 ASN B 26 -1.427 -3.639 11.524 1.00 0.00 H new ATOM 0 HB3 ASN B 26 -0.851 -3.537 9.872 1.00 0.00 H new ATOM 0 HD21 ASN B 26 1.568 -1.142 10.527 1.00 0.00 H new ATOM 0 HD22 ASN B 26 0.916 -2.447 9.531 1.00 0.00 H new ATOM 1025 N GLU B 27 -2.094 0.037 10.549 1.00 0.00 N ATOM 1026 CA GLU B 27 -2.157 1.342 11.185 1.00 0.00 C ATOM 1027 C GLU B 27 -3.583 1.894 11.124 1.00 0.00 C ATOM 1028 O GLU B 27 -4.218 2.100 12.157 1.00 0.00 O ATOM 1029 CB GLU B 27 -1.165 2.314 10.543 1.00 0.00 C ATOM 1030 CG GLU B 27 -1.322 3.721 11.125 1.00 0.00 C ATOM 1031 CD GLU B 27 0.015 4.464 11.129 1.00 0.00 C ATOM 1032 OE1 GLU B 27 0.555 4.764 12.205 1.00 0.00 O ATOM 1033 OE2 GLU B 27 0.495 4.729 9.962 1.00 0.00 O ATOM 0 H GLU B 27 -1.525 0.002 9.703 1.00 0.00 H new ATOM 0 HA GLU B 27 -1.877 1.228 12.232 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -0.147 1.961 10.706 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -1.324 2.343 9.465 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -2.052 4.281 10.540 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -1.710 3.657 12.142 1.00 0.00 H new ATOM 1041 N VAL B 28 -4.045 2.117 9.902 1.00 0.00 N ATOM 1042 CA VAL B 28 -5.384 2.641 9.693 1.00 0.00 C ATOM 1043 C VAL B 28 -6.391 1.773 10.449 1.00 0.00 C ATOM 1044 O VAL B 28 -7.218 2.287 11.201 1.00 0.00 O ATOM 1045 CB VAL B 28 -5.681 2.734 8.195 1.00 0.00 C ATOM 1046 CG1 VAL B 28 -6.250 1.415 7.666 1.00 0.00 C ATOM 1047 CG2 VAL B 28 -6.627 3.899 7.895 1.00 0.00 C ATOM 0 H VAL B 28 -3.516 1.944 9.047 1.00 0.00 H new ATOM 0 HA VAL B 28 -5.464 3.653 10.091 1.00 0.00 H new ATOM 0 HB VAL B 28 -4.741 2.925 7.678 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -6.452 1.508 6.599 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -5.528 0.615 7.830 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -7.176 1.181 8.192 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -6.822 3.943 6.823 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -7.566 3.752 8.429 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -6.168 4.833 8.219 1.00 0.00 H new ATOM 1057 N ALA B 29 -6.288 0.471 10.226 1.00 0.00 N ATOM 1058 CA ALA B 29 -7.179 -0.474 10.877 1.00 0.00 C ATOM 1059 C ALA B 29 -7.117 -0.266 12.392 1.00 0.00 C ATOM 1060 O ALA B 29 -8.106 0.123 13.010 1.00 0.00 O ATOM 1061 CB ALA B 29 -6.801 -1.898 10.468 1.00 0.00 C ATOM 0 H ALA B 29 -5.600 0.048 9.603 1.00 0.00 H new ATOM 0 HA ALA B 29 -8.210 -0.308 10.563 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.470 -2.607 10.957 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.890 -2.002 9.387 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -5.773 -2.102 10.769 1.00 0.00 H new ATOM 1067 N ARG B 30 -5.944 -0.535 12.945 1.00 0.00 N ATOM 1068 CA ARG B 30 -5.740 -0.381 14.376 1.00 0.00 C ATOM 1069 C ARG B 30 -6.186 1.010 14.831 1.00 0.00 C ATOM 1070 O ARG B 30 -6.520 1.207 15.998 1.00 0.00 O ATOM 1071 CB ARG B 30 -4.269 -0.584 14.747 1.00 0.00 C ATOM 1072 CG ARG B 30 -4.074 -0.533 16.264 1.00 0.00 C ATOM 1073 CD ARG B 30 -2.600 -0.333 16.620 1.00 0.00 C ATOM 1074 NE ARG B 30 -2.445 -0.223 18.088 1.00 0.00 N ATOM 1075 CZ ARG B 30 -2.643 0.916 18.786 1.00 0.00 C ATOM 1076 NH1 ARG B 30 -3.007 2.053 18.155 1.00 0.00 N ATOM 1077 NH2 ARG B 30 -2.477 0.901 20.096 1.00 0.00 N ATOM 0 H ARG B 30 -5.126 -0.858 12.429 1.00 0.00 H new ATOM 0 HA ARG B 30 -6.339 -1.140 14.879 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -3.923 -1.544 14.364 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -3.661 0.186 14.272 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -4.667 0.280 16.683 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -4.438 -1.457 16.712 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -2.010 -1.169 16.245 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -2.219 0.567 16.137 1.00 0.00 H new ATOM 0 HE ARG B 30 -2.172 -1.059 18.604 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -3.135 2.056 17.143 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -3.154 2.909 18.690 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -2.203 0.038 20.566 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -2.622 1.753 20.638 1.00 0.00 H new ATOM 1090 N LEU B 31 -6.178 1.937 13.885 1.00 0.00 N ATOM 1091 CA LEU B 31 -6.578 3.303 14.173 1.00 0.00 C ATOM 1092 C LEU B 31 -8.097 3.358 14.357 1.00 0.00 C ATOM 1093 O LEU B 31 -8.583 3.715 15.429 1.00 0.00 O ATOM 1094 CB LEU B 31 -6.056 4.254 13.095 1.00 0.00 C ATOM 1095 CG LEU B 31 -6.089 5.744 13.441 1.00 0.00 C ATOM 1096 CD1 LEU B 31 -6.112 5.956 14.956 1.00 0.00 C ATOM 1097 CD2 LEU B 31 -4.929 6.488 12.776 1.00 0.00 C ATOM 0 H LEU B 31 -5.901 1.769 12.918 1.00 0.00 H new ATOM 0 HA LEU B 31 -6.130 3.641 15.108 1.00 0.00 H new ATOM 0 HB2 LEU B 31 -5.027 3.978 12.862 1.00 0.00 H new ATOM 0 HB3 LEU B 31 -6.640 4.099 12.188 1.00 0.00 H new ATOM 0 HG LEU B 31 -7.012 6.165 13.043 1.00 0.00 H new ATOM 0 HD11 LEU B 31 -6.135 7.024 15.174 1.00 0.00 H new ATOM 0 HD12 LEU B 31 -6.998 5.481 15.377 1.00 0.00 H new ATOM 0 HD13 LEU B 31 -5.219 5.515 15.399 1.00 0.00 H new ATOM 0 HD21 LEU B 31 -4.976 7.545 13.038 1.00 0.00 H new ATOM 0 HD22 LEU B 31 -3.983 6.070 13.121 1.00 0.00 H new ATOM 0 HD23 LEU B 31 -5.000 6.379 11.694 1.00 0.00 H new ATOM 1109 N LYS B 32 -8.802 2.997 13.295 1.00 0.00 N ATOM 1110 CA LYS B 32 -10.255 3.001 13.326 1.00 0.00 C ATOM 1111 C LYS B 32 -10.735 2.301 14.599 1.00 0.00 C ATOM 1112 O LYS B 32 -11.797 2.626 15.128 1.00 0.00 O ATOM 1113 CB LYS B 32 -10.819 2.394 12.040 1.00 0.00 C ATOM 1114 CG LYS B 32 -10.273 3.115 10.807 1.00 0.00 C ATOM 1115 CD LYS B 32 -9.879 2.117 9.716 1.00 0.00 C ATOM 1116 CE LYS B 32 -9.847 2.789 8.342 1.00 0.00 C ATOM 1117 NZ LYS B 32 -11.204 2.825 7.752 1.00 0.00 N ATOM 0 H LYS B 32 -8.395 2.700 12.408 1.00 0.00 H new ATOM 0 HA LYS B 32 -10.633 4.023 13.362 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.562 1.336 11.990 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -11.907 2.458 12.051 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -11.025 3.803 10.421 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -9.407 3.715 11.086 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -8.899 1.695 9.941 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -10.588 1.289 9.703 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.457 3.803 8.435 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.171 2.247 7.681 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -11.165 3.284 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -11.562 1.854 7.645 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -11.840 3.362 8.376 1.00 0.00 H new ATOM 1130 N LYS B 33 -9.930 1.352 15.055 1.00 0.00 N ATOM 1131 CA LYS B 33 -10.260 0.604 16.255 1.00 0.00 C ATOM 1132 C LYS B 33 -9.890 1.433 17.486 1.00 0.00 C ATOM 1133 O LYS B 33 -10.602 1.414 18.488 1.00 0.00 O ATOM 1134 CB LYS B 33 -9.601 -0.777 16.224 1.00 0.00 C ATOM 1135 CG LYS B 33 -10.062 -1.632 17.407 1.00 0.00 C ATOM 1136 CD LYS B 33 -8.969 -2.615 17.830 1.00 0.00 C ATOM 1137 CE LYS B 33 -8.094 -2.019 18.934 1.00 0.00 C ATOM 1138 NZ LYS B 33 -8.771 -2.124 20.247 1.00 0.00 N ATOM 0 H LYS B 33 -9.050 1.084 14.614 1.00 0.00 H new ATOM 0 HA LYS B 33 -11.333 0.419 16.305 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.847 -1.280 15.289 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.517 -0.667 16.251 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -10.322 -0.988 18.247 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -10.964 -2.180 17.135 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -9.424 -3.541 18.182 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -8.351 -2.870 16.969 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -7.137 -2.540 18.969 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.880 -0.974 18.712 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -8.163 -1.715 20.985 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -9.673 -1.607 20.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -8.953 -3.125 20.464 1.00 0.00 H new ATOM 1151 N LEU B 34 -8.777 2.142 17.369 1.00 0.00 N ATOM 1152 CA LEU B 34 -8.304 2.978 18.460 1.00 0.00 C ATOM 1153 C LEU B 34 -9.187 4.222 18.564 1.00 0.00 C ATOM 1154 O LEU B 34 -9.717 4.524 19.633 1.00 0.00 O ATOM 1155 CB LEU B 34 -6.816 3.291 18.288 1.00 0.00 C ATOM 1156 CG LEU B 34 -6.133 3.974 19.476 1.00 0.00 C ATOM 1157 CD1 LEU B 34 -6.795 5.317 19.792 1.00 0.00 C ATOM 1158 CD2 LEU B 34 -6.100 3.050 20.694 1.00 0.00 C ATOM 0 H LEU B 34 -8.189 2.155 16.536 1.00 0.00 H new ATOM 0 HA LEU B 34 -8.387 2.449 19.409 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -6.291 2.359 18.079 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -6.698 3.927 17.411 1.00 0.00 H new ATOM 0 HG LEU B 34 -5.099 4.182 19.202 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -6.291 5.781 20.640 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -6.722 5.972 18.924 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -7.845 5.156 20.038 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -5.610 3.559 21.524 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -7.119 2.788 20.980 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -5.548 2.143 20.448 1.00 0.00 H new ATOM 1170 N VAL B 35 -9.318 4.910 17.440 1.00 0.00 N ATOM 1171 CA VAL B 35 -10.130 6.116 17.391 1.00 0.00 C ATOM 1172 C VAL B 35 -11.556 5.783 17.831 1.00 0.00 C ATOM 1173 O VAL B 35 -12.090 6.409 18.745 1.00 0.00 O ATOM 1174 CB VAL B 35 -10.063 6.735 15.993 1.00 0.00 C ATOM 1175 CG1 VAL B 35 -8.623 7.094 15.621 1.00 0.00 C ATOM 1176 CG2 VAL B 35 -10.682 5.802 14.951 1.00 0.00 C ATOM 0 H VAL B 35 -8.876 4.657 16.556 1.00 0.00 H new ATOM 0 HA VAL B 35 -9.744 6.866 18.082 1.00 0.00 H new ATOM 0 HB VAL B 35 -10.645 7.656 16.006 1.00 0.00 H new ATOM 0 HG11 VAL B 35 -8.603 7.532 14.623 1.00 0.00 H new ATOM 0 HG12 VAL B 35 -8.230 7.812 16.340 1.00 0.00 H new ATOM 0 HG13 VAL B 35 -8.009 6.194 15.634 1.00 0.00 H new ATOM 0 HG21 VAL B 35 -10.622 6.265 13.966 1.00 0.00 H new ATOM 0 HG22 VAL B 35 -10.139 4.857 14.941 1.00 0.00 H new ATOM 0 HG23 VAL B 35 -11.727 5.618 15.202 1.00 0.00 H new