USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 372 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 80 HIS : no HD1:sc= -0.0887 X(o=-0.084,f=-0.0045) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -124:sc= 0.00489 (180deg=0) USER MOD Set 2.1: A 79 GLN : amide:sc= 0.801 K(o=1.4,f=-0.72) USER MOD Set 2.2: A 83 GLN : amide:sc= 0.556 K(o=1.4,f=-2.9!) USER MOD Set 3.1: A 74 THR OG1 : rot 180:sc= 0.509 USER MOD Set 3.2: A 77 GLN : amide:sc= -0.168 K(o=0.34,f=-3.6!) USER MOD Set 4.1: A 64 LYS NZ :NH3+ -176:sc= 1.28 (180deg=1.26) USER MOD Set 4.2: A 68 ASN : amide:sc= -0.263 K(o=1,f=-0.34) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 151:sc= 2.49 (180deg=1.46) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 1.49 (180deg=1.49) USER MOD Single : A 53 LYS NZ :NH3+ 178:sc= -0.234 (180deg=-0.264) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 58 ASN : amide:sc= -0.0822 K(o=-0.082,f=-5.2!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 CYS SG : rot 100:sc= -0.254 USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 12.996 -8.686 -13.204 1.00 0.00 N ATOM 90 CA TRP A 43 14.160 -8.865 -14.054 1.00 0.00 C ATOM 91 C TRP A 43 13.717 -9.247 -15.460 1.00 0.00 C ATOM 92 O TRP A 43 12.827 -10.079 -15.626 1.00 0.00 O ATOM 93 CB TRP A 43 15.063 -9.944 -13.453 1.00 0.00 C ATOM 94 CG TRP A 43 15.932 -9.455 -12.342 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.593 -9.396 -11.044 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.284 -8.920 -12.414 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.613 -8.861 -10.294 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.697 -8.543 -11.097 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.207 -8.706 -13.459 1.00 0.00 C ATOM 100 CZ2 TRP A 43 18.952 -7.982 -10.839 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.470 -8.136 -13.209 1.00 0.00 C ATOM 102 CH2 TRP A 43 19.844 -7.777 -11.901 1.00 0.00 C ATOM 0 HA TRP A 43 14.722 -7.933 -14.115 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.442 -10.760 -13.083 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.694 -10.356 -14.240 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.646 -9.725 -10.643 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.577 -8.718 -9.285 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.940 -8.984 -14.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.231 -7.710 -9.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.156 -7.973 -14.027 1.00 0.00 H new ATOM 0 HH2 TRP A 43 20.816 -7.344 -11.715 1.00 0.00 H new ATOM 113 N THR A 44 14.345 -8.627 -16.467 1.00 0.00 N ATOM 114 CA THR A 44 14.032 -8.878 -17.865 1.00 0.00 C ATOM 115 C THR A 44 15.245 -9.490 -18.558 1.00 0.00 C ATOM 116 O THR A 44 16.356 -9.444 -18.028 1.00 0.00 O ATOM 117 CB THR A 44 13.642 -7.557 -18.539 1.00 0.00 C ATOM 118 OG1 THR A 44 14.704 -6.632 -18.415 1.00 0.00 O ATOM 119 CG2 THR A 44 12.386 -6.984 -17.876 1.00 0.00 C ATOM 0 H THR A 44 15.084 -7.938 -16.327 1.00 0.00 H new ATOM 0 HA THR A 44 13.198 -9.576 -17.939 1.00 0.00 H new ATOM 0 HB THR A 44 13.438 -7.740 -19.594 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.455 -5.788 -18.847 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.115 -6.046 -18.360 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.565 -7.694 -17.976 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.583 -6.804 -16.819 1.00 0.00 H new ATOM 127 N ARG A 45 15.027 -10.056 -19.751 1.00 0.00 N ATOM 128 CA ARG A 45 16.097 -10.662 -20.529 1.00 0.00 C ATOM 129 C ARG A 45 17.216 -9.644 -20.753 1.00 0.00 C ATOM 130 O ARG A 45 18.389 -9.989 -20.678 1.00 0.00 O ATOM 131 CB ARG A 45 15.532 -11.156 -21.865 1.00 0.00 C ATOM 132 CG ARG A 45 16.621 -11.891 -22.653 1.00 0.00 C ATOM 133 CD ARG A 45 16.029 -12.450 -23.947 1.00 0.00 C ATOM 134 NE ARG A 45 17.060 -13.122 -24.746 1.00 0.00 N ATOM 135 CZ ARG A 45 16.808 -13.702 -25.933 1.00 0.00 C ATOM 136 NH1 ARG A 45 15.567 -13.683 -26.441 1.00 0.00 N ATOM 137 NH2 ARG A 45 17.798 -14.300 -26.609 1.00 0.00 N ATOM 0 H ARG A 45 14.110 -10.103 -20.195 1.00 0.00 H new ATOM 0 HA ARG A 45 16.513 -11.512 -19.988 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.687 -11.822 -21.688 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.158 -10.313 -22.445 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.441 -11.210 -22.881 1.00 0.00 H new ATOM 0 HG3 ARG A 45 17.036 -12.700 -22.052 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.229 -13.153 -23.712 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.583 -11.642 -24.527 1.00 0.00 H new ATOM 0 HE ARG A 45 18.013 -13.151 -24.384 1.00 0.00 H new ATOM 0 HH11 ARG A 45 14.812 -13.228 -25.927 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.378 -14.123 -27.341 1.00 0.00 H new ATOM 0 HH21 ARG A 45 18.742 -14.315 -26.223 1.00 0.00 H new ATOM 0 HH22 ARG A 45 17.608 -14.740 -27.509 1.00 0.00 H new ATOM 151 N GLU A 46 16.843 -8.386 -21.026 1.00 0.00 N ATOM 152 CA GLU A 46 17.810 -7.322 -21.250 1.00 0.00 C ATOM 153 C GLU A 46 18.712 -7.174 -20.024 1.00 0.00 C ATOM 154 O GLU A 46 19.937 -7.180 -20.147 1.00 0.00 O ATOM 155 CB GLU A 46 17.063 -6.014 -21.532 1.00 0.00 C ATOM 156 CG GLU A 46 18.050 -4.938 -21.997 1.00 0.00 C ATOM 157 CD GLU A 46 17.420 -3.555 -21.915 1.00 0.00 C ATOM 158 OE1 GLU A 46 16.643 -3.230 -22.836 1.00 0.00 O ATOM 159 OE2 GLU A 46 17.729 -2.849 -20.929 1.00 0.00 O ATOM 0 H GLU A 46 15.870 -8.087 -21.096 1.00 0.00 H new ATOM 0 HA GLU A 46 18.436 -7.566 -22.109 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.303 -6.177 -22.296 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.545 -5.680 -20.633 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.948 -4.971 -21.380 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.360 -5.141 -23.022 1.00 0.00 H new ATOM 166 N GLU A 47 18.100 -7.039 -18.840 1.00 0.00 N ATOM 167 CA GLU A 47 18.844 -6.873 -17.601 1.00 0.00 C ATOM 168 C GLU A 47 19.752 -8.081 -17.369 1.00 0.00 C ATOM 169 O GLU A 47 20.904 -7.924 -16.962 1.00 0.00 O ATOM 170 CB GLU A 47 17.869 -6.685 -16.439 1.00 0.00 C ATOM 171 CG GLU A 47 18.487 -5.756 -15.391 1.00 0.00 C ATOM 172 CD GLU A 47 18.129 -4.300 -15.677 1.00 0.00 C ATOM 173 OE1 GLU A 47 18.779 -3.712 -16.574 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.208 -3.803 -14.991 1.00 0.00 O ATOM 0 H GLU A 47 17.087 -7.043 -18.722 1.00 0.00 H new ATOM 0 HA GLU A 47 19.474 -5.986 -17.669 1.00 0.00 H new ATOM 0 HB2 GLU A 47 16.931 -6.265 -16.803 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.633 -7.650 -15.990 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.133 -6.034 -14.398 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.571 -5.875 -15.387 1.00 0.00 H new ATOM 181 N ASP A 48 19.237 -9.287 -17.637 1.00 0.00 N ATOM 182 CA ASP A 48 20.021 -10.501 -17.486 1.00 0.00 C ATOM 183 C ASP A 48 21.206 -10.464 -18.449 1.00 0.00 C ATOM 184 O ASP A 48 22.285 -10.936 -18.113 1.00 0.00 O ATOM 185 CB ASP A 48 19.141 -11.727 -17.753 1.00 0.00 C ATOM 186 CG ASP A 48 18.089 -11.904 -16.664 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.428 -11.643 -15.490 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.961 -12.304 -17.021 1.00 0.00 O ATOM 0 H ASP A 48 18.281 -9.440 -17.959 1.00 0.00 H new ATOM 0 HA ASP A 48 20.400 -10.568 -16.466 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.651 -11.621 -18.721 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.764 -12.619 -17.807 1.00 0.00 H new ATOM 193 N GLU A 49 21.004 -9.895 -19.647 1.00 0.00 N ATOM 194 CA GLU A 49 22.064 -9.779 -20.639 1.00 0.00 C ATOM 195 C GLU A 49 23.161 -8.853 -20.105 1.00 0.00 C ATOM 196 O GLU A 49 24.344 -9.178 -20.195 1.00 0.00 O ATOM 197 CB GLU A 49 21.479 -9.241 -21.957 1.00 0.00 C ATOM 198 CG GLU A 49 22.113 -9.964 -23.153 1.00 0.00 C ATOM 199 CD GLU A 49 23.612 -9.705 -23.231 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.998 -8.524 -23.093 1.00 0.00 O ATOM 201 OE2 GLU A 49 24.354 -10.695 -23.429 1.00 0.00 O ATOM 0 H GLU A 49 20.109 -9.509 -19.946 1.00 0.00 H new ATOM 0 HA GLU A 49 22.502 -10.758 -20.833 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.398 -9.383 -21.968 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.661 -8.169 -22.033 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.932 -11.036 -23.070 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.637 -9.631 -24.075 1.00 0.00 H new ATOM 208 N LYS A 50 22.760 -7.700 -19.544 1.00 0.00 N ATOM 209 CA LYS A 50 23.704 -6.739 -18.980 1.00 0.00 C ATOM 210 C LYS A 50 24.555 -7.423 -17.909 1.00 0.00 C ATOM 211 O LYS A 50 25.783 -7.338 -17.938 1.00 0.00 O ATOM 212 CB LYS A 50 22.936 -5.564 -18.363 1.00 0.00 C ATOM 213 CG LYS A 50 22.254 -4.723 -19.452 1.00 0.00 C ATOM 214 CD LYS A 50 20.921 -4.186 -18.915 1.00 0.00 C ATOM 215 CE LYS A 50 20.717 -2.730 -19.323 1.00 0.00 C ATOM 216 NZ LYS A 50 19.394 -2.255 -18.876 1.00 0.00 N ATOM 0 H LYS A 50 21.783 -7.416 -19.472 1.00 0.00 H new ATOM 0 HA LYS A 50 24.355 -6.365 -19.770 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.187 -5.940 -17.666 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.620 -4.938 -17.790 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.900 -3.896 -19.748 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.084 -5.328 -20.342 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.100 -4.793 -19.296 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.902 -4.270 -17.828 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.500 -2.110 -18.887 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.799 -2.633 -20.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.434 -1.231 -18.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 18.687 -2.452 -19.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.126 -2.747 -18.000 1.00 0.00 H new ATOM 230 N LEU A 51 23.895 -8.102 -16.961 1.00 0.00 N ATOM 231 CA LEU A 51 24.587 -8.803 -15.889 1.00 0.00 C ATOM 232 C LEU A 51 25.474 -9.896 -16.490 1.00 0.00 C ATOM 233 O LEU A 51 26.603 -10.097 -16.039 1.00 0.00 O ATOM 234 CB LEU A 51 23.546 -9.384 -14.919 1.00 0.00 C ATOM 235 CG LEU A 51 24.218 -9.889 -13.630 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.879 -8.726 -12.880 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.158 -10.525 -12.727 1.00 0.00 C ATOM 0 H LEU A 51 22.878 -8.176 -16.921 1.00 0.00 H new ATOM 0 HA LEU A 51 25.228 -8.120 -15.332 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.806 -8.622 -14.674 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.012 -10.203 -15.400 1.00 0.00 H new ATOM 0 HG LEU A 51 24.981 -10.622 -13.894 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.350 -9.100 -11.971 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.634 -8.265 -13.516 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.123 -7.985 -12.619 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.628 -10.885 -11.812 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.400 -9.783 -12.478 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.691 -11.361 -13.248 1.00 0.00 H new ATOM 249 N LYS A 52 24.963 -10.587 -17.524 1.00 0.00 N ATOM 250 CA LYS A 52 25.714 -11.616 -18.233 1.00 0.00 C ATOM 251 C LYS A 52 26.683 -10.938 -19.211 1.00 0.00 C ATOM 252 O LYS A 52 26.647 -11.180 -20.423 1.00 0.00 O ATOM 253 CB LYS A 52 24.736 -12.539 -18.967 1.00 0.00 C ATOM 254 CG LYS A 52 25.471 -13.789 -19.480 1.00 0.00 C ATOM 255 CD LYS A 52 24.558 -14.606 -20.410 1.00 0.00 C ATOM 256 CE LYS A 52 24.057 -13.750 -21.587 1.00 0.00 C ATOM 257 NZ LYS A 52 25.130 -12.907 -22.150 1.00 0.00 N ATOM 0 H LYS A 52 24.020 -10.442 -17.884 1.00 0.00 H new ATOM 0 HA LYS A 52 26.293 -12.220 -17.534 1.00 0.00 H new ATOM 0 HB2 LYS A 52 23.928 -12.832 -18.297 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.280 -12.008 -19.802 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.374 -13.494 -20.014 1.00 0.00 H new ATOM 0 HG3 LYS A 52 25.786 -14.404 -18.637 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.102 -15.471 -20.791 1.00 0.00 H new ATOM 0 HD3 LYS A 52 23.707 -14.988 -19.846 1.00 0.00 H new ATOM 0 HE2 LYS A 52 23.660 -14.401 -22.366 1.00 0.00 H new ATOM 0 HE3 LYS A 52 23.236 -13.117 -21.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.752 -12.346 -22.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 25.492 -12.268 -21.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.903 -13.512 -22.494 1.00 0.00 H new ATOM 271 N LYS A 53 27.542 -10.087 -18.662 1.00 0.00 N ATOM 272 CA LYS A 53 28.544 -9.356 -19.413 1.00 0.00 C ATOM 273 C LYS A 53 29.551 -8.824 -18.408 1.00 0.00 C ATOM 274 O LYS A 53 30.754 -9.005 -18.563 1.00 0.00 O ATOM 275 CB LYS A 53 27.884 -8.215 -20.200 1.00 0.00 C ATOM 276 CG LYS A 53 28.780 -7.814 -21.380 1.00 0.00 C ATOM 277 CD LYS A 53 27.949 -7.083 -22.444 1.00 0.00 C ATOM 278 CE LYS A 53 27.489 -8.071 -23.526 1.00 0.00 C ATOM 279 NZ LYS A 53 26.596 -9.104 -22.971 1.00 0.00 N ATOM 0 H LYS A 53 27.558 -9.885 -17.662 1.00 0.00 H new ATOM 0 HA LYS A 53 29.043 -9.998 -20.139 1.00 0.00 H new ATOM 0 HB2 LYS A 53 26.906 -8.530 -20.564 1.00 0.00 H new ATOM 0 HB3 LYS A 53 27.720 -7.357 -19.547 1.00 0.00 H new ATOM 0 HG2 LYS A 53 29.588 -7.170 -21.032 1.00 0.00 H new ATOM 0 HG3 LYS A 53 29.243 -8.700 -21.814 1.00 0.00 H new ATOM 0 HD2 LYS A 53 27.083 -6.612 -21.979 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.541 -6.287 -22.896 1.00 0.00 H new ATOM 0 HE2 LYS A 53 26.972 -7.530 -24.318 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.359 -8.546 -23.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.277 -9.734 -23.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 27.109 -9.658 -22.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.771 -8.649 -22.530 1.00 0.00 H new ATOM 293 N LEU A 54 29.036 -8.186 -17.353 1.00 0.00 N ATOM 294 CA LEU A 54 29.860 -7.706 -16.266 1.00 0.00 C ATOM 295 C LEU A 54 30.430 -8.914 -15.529 1.00 0.00 C ATOM 296 O LEU A 54 31.637 -9.009 -15.336 1.00 0.00 O ATOM 297 CB LEU A 54 29.006 -6.841 -15.331 1.00 0.00 C ATOM 298 CG LEU A 54 28.930 -5.407 -15.875 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.661 -4.731 -15.356 1.00 0.00 C ATOM 300 CD2 LEU A 54 30.155 -4.611 -15.415 1.00 0.00 C ATOM 0 H LEU A 54 28.041 -7.994 -17.239 1.00 0.00 H new ATOM 0 HA LEU A 54 30.682 -7.095 -16.638 1.00 0.00 H new ATOM 0 HB2 LEU A 54 28.004 -7.261 -15.246 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.436 -6.838 -14.330 1.00 0.00 H new ATOM 0 HG LEU A 54 28.909 -5.438 -16.964 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.607 -3.713 -15.742 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.788 -5.292 -15.689 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.682 -4.705 -14.267 1.00 0.00 H new ATOM 0 HD21 LEU A 54 30.095 -3.595 -15.804 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.182 -4.582 -14.326 1.00 0.00 H new ATOM 0 HD23 LEU A 54 31.061 -5.090 -15.787 1.00 0.00 H new ATOM 312 N VAL A 55 29.552 -9.846 -15.131 1.00 0.00 N ATOM 313 CA VAL A 55 29.972 -11.057 -14.438 1.00 0.00 C ATOM 314 C VAL A 55 30.920 -11.852 -15.337 1.00 0.00 C ATOM 315 O VAL A 55 31.911 -12.399 -14.867 1.00 0.00 O ATOM 316 CB VAL A 55 28.733 -11.887 -14.065 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.166 -13.214 -13.437 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.877 -11.112 -13.059 1.00 0.00 C ATOM 0 H VAL A 55 28.545 -9.777 -15.281 1.00 0.00 H new ATOM 0 HA VAL A 55 30.502 -10.801 -13.521 1.00 0.00 H new ATOM 0 HB VAL A 55 28.153 -12.083 -14.967 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.283 -13.798 -13.175 1.00 0.00 H new ATOM 0 HG12 VAL A 55 29.772 -13.773 -14.150 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.751 -13.018 -12.539 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.999 -11.703 -12.797 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.462 -10.912 -12.161 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.560 -10.168 -13.502 1.00 0.00 H new ATOM 328 N GLU A 56 30.614 -11.907 -16.637 1.00 0.00 N ATOM 329 CA GLU A 56 31.446 -12.612 -17.600 1.00 0.00 C ATOM 330 C GLU A 56 32.869 -12.040 -17.568 1.00 0.00 C ATOM 331 O GLU A 56 33.841 -12.793 -17.562 1.00 0.00 O ATOM 332 CB GLU A 56 30.810 -12.472 -18.992 1.00 0.00 C ATOM 333 CG GLU A 56 31.749 -13.010 -20.080 1.00 0.00 C ATOM 334 CD GLU A 56 32.528 -11.874 -20.741 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.863 -11.023 -21.375 1.00 0.00 O ATOM 336 OE2 GLU A 56 33.768 -11.876 -20.601 1.00 0.00 O ATOM 0 H GLU A 56 29.788 -11.466 -17.043 1.00 0.00 H new ATOM 0 HA GLU A 56 31.511 -13.671 -17.351 1.00 0.00 H new ATOM 0 HB2 GLU A 56 29.865 -13.015 -19.021 1.00 0.00 H new ATOM 0 HB3 GLU A 56 30.582 -11.424 -19.188 1.00 0.00 H new ATOM 0 HG2 GLU A 56 32.444 -13.727 -19.643 1.00 0.00 H new ATOM 0 HG3 GLU A 56 31.170 -13.545 -20.833 1.00 0.00 H new ATOM 343 N GLN A 57 32.983 -10.706 -17.545 1.00 0.00 N ATOM 344 CA GLN A 57 34.276 -10.036 -17.531 1.00 0.00 C ATOM 345 C GLN A 57 35.009 -10.289 -16.209 1.00 0.00 C ATOM 346 O GLN A 57 36.093 -10.870 -16.211 1.00 0.00 O ATOM 347 CB GLN A 57 34.066 -8.536 -17.759 1.00 0.00 C ATOM 348 CG GLN A 57 33.751 -8.283 -19.237 1.00 0.00 C ATOM 349 CD GLN A 57 33.144 -6.899 -19.441 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.373 -5.991 -18.646 1.00 0.00 O ATOM 351 NE2 GLN A 57 32.366 -6.740 -20.512 1.00 0.00 N ATOM 0 H GLN A 57 32.185 -10.071 -17.536 1.00 0.00 H new ATOM 0 HA GLN A 57 34.897 -10.438 -18.331 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.249 -8.173 -17.135 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.960 -7.984 -17.467 1.00 0.00 H new ATOM 0 HG2 GLN A 57 34.663 -8.374 -19.827 1.00 0.00 H new ATOM 0 HG3 GLN A 57 33.060 -9.044 -19.600 1.00 0.00 H new ATOM 0 HE21 GLN A 57 32.204 -7.523 -21.145 1.00 0.00 H new ATOM 0 HE22 GLN A 57 31.933 -5.835 -20.698 1.00 0.00 H new ATOM 360 N ASN A 58 34.430 -9.843 -15.081 1.00 0.00 N ATOM 361 CA ASN A 58 35.070 -10.004 -13.772 1.00 0.00 C ATOM 362 C ASN A 58 34.651 -11.329 -13.129 1.00 0.00 C ATOM 363 O ASN A 58 35.437 -12.274 -13.104 1.00 0.00 O ATOM 364 CB ASN A 58 34.751 -8.806 -12.852 1.00 0.00 C ATOM 365 CG ASN A 58 33.344 -8.255 -13.072 1.00 0.00 C ATOM 366 OD1 ASN A 58 32.374 -8.792 -12.546 1.00 0.00 O ATOM 367 ND2 ASN A 58 33.238 -7.177 -13.850 1.00 0.00 N ATOM 0 H ASN A 58 33.526 -9.372 -15.053 1.00 0.00 H new ATOM 0 HA ASN A 58 36.150 -10.028 -13.917 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.858 -9.113 -11.812 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.479 -8.014 -13.027 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.322 -6.765 -14.029 1.00 0.00 H new ATOM 0 HD22 ASN A 58 34.073 -6.764 -14.266 1.00 0.00 H new ATOM 374 N GLY A 59 33.421 -11.396 -12.604 1.00 0.00 N ATOM 375 CA GLY A 59 32.918 -12.594 -11.947 1.00 0.00 C ATOM 376 C GLY A 59 32.261 -12.214 -10.629 1.00 0.00 C ATOM 377 O GLY A 59 31.076 -11.885 -10.597 1.00 0.00 O ATOM 0 H GLY A 59 32.756 -10.623 -12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 59 32.199 -13.100 -12.591 1.00 0.00 H new ATOM 0 HA3 GLY A 59 33.734 -13.294 -11.770 1.00 0.00 H new ATOM 381 N THR A 60 33.038 -12.259 -9.543 1.00 0.00 N ATOM 382 CA THR A 60 32.548 -11.913 -8.216 1.00 0.00 C ATOM 383 C THR A 60 33.533 -10.953 -7.547 1.00 0.00 C ATOM 384 O THR A 60 33.750 -11.022 -6.337 1.00 0.00 O ATOM 385 CB THR A 60 32.367 -13.194 -7.387 1.00 0.00 C ATOM 386 OG1 THR A 60 33.580 -13.920 -7.356 1.00 0.00 O ATOM 387 CG2 THR A 60 31.273 -14.065 -8.008 1.00 0.00 C ATOM 0 H THR A 60 34.020 -12.536 -9.564 1.00 0.00 H new ATOM 0 HA THR A 60 31.581 -11.416 -8.290 1.00 0.00 H new ATOM 0 HB THR A 60 32.080 -12.920 -6.372 1.00 0.00 H new ATOM 0 HG1 THR A 60 33.460 -14.735 -6.825 1.00 0.00 H new ATOM 0 HG21 THR A 60 31.150 -14.972 -7.416 1.00 0.00 H new ATOM 0 HG22 THR A 60 30.334 -13.512 -8.025 1.00 0.00 H new ATOM 0 HG23 THR A 60 31.555 -14.333 -9.026 1.00 0.00 H new ATOM 395 N ASP A 61 34.128 -10.052 -8.345 1.00 0.00 N ATOM 396 CA ASP A 61 35.078 -9.072 -7.841 1.00 0.00 C ATOM 397 C ASP A 61 34.316 -7.949 -7.149 1.00 0.00 C ATOM 398 O ASP A 61 34.201 -6.845 -7.677 1.00 0.00 O ATOM 399 CB ASP A 61 35.917 -8.549 -9.003 1.00 0.00 C ATOM 400 CG ASP A 61 36.977 -7.561 -8.527 1.00 0.00 C ATOM 401 OD1 ASP A 61 37.545 -7.813 -7.442 1.00 0.00 O ATOM 402 OD2 ASP A 61 37.201 -6.573 -9.260 1.00 0.00 O ATOM 0 H ASP A 61 33.960 -9.990 -9.349 1.00 0.00 H new ATOM 0 HA ASP A 61 35.750 -9.525 -7.112 1.00 0.00 H new ATOM 0 HB2 ASP A 61 36.399 -9.385 -9.510 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.268 -8.065 -9.733 1.00 0.00 H new ATOM 407 N ASP A 62 33.792 -8.266 -5.964 1.00 0.00 N ATOM 408 CA ASP A 62 32.992 -7.347 -5.165 1.00 0.00 C ATOM 409 C ASP A 62 31.712 -6.987 -5.916 1.00 0.00 C ATOM 410 O ASP A 62 31.730 -6.181 -6.843 1.00 0.00 O ATOM 411 CB ASP A 62 33.802 -6.093 -4.800 1.00 0.00 C ATOM 412 CG ASP A 62 33.890 -5.929 -3.289 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.853 -5.544 -2.703 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.984 -6.192 -2.748 1.00 0.00 O ATOM 0 H ASP A 62 33.915 -9.181 -5.530 1.00 0.00 H new ATOM 0 HA ASP A 62 32.715 -7.837 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.804 -6.166 -5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.335 -5.212 -5.240 1.00 0.00 H new ATOM 419 N TRP A 63 30.590 -7.588 -5.507 1.00 0.00 N ATOM 420 CA TRP A 63 29.306 -7.325 -6.138 1.00 0.00 C ATOM 421 C TRP A 63 28.991 -5.830 -6.097 1.00 0.00 C ATOM 422 O TRP A 63 28.235 -5.341 -6.930 1.00 0.00 O ATOM 423 CB TRP A 63 28.219 -8.144 -5.445 1.00 0.00 C ATOM 424 CG TRP A 63 28.217 -9.588 -5.834 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.586 -10.617 -5.050 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.844 -10.190 -7.111 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.478 -11.811 -5.722 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.021 -11.607 -7.013 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.374 -9.687 -8.350 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.751 -12.470 -8.077 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.096 -10.558 -9.425 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.286 -11.945 -9.288 1.00 0.00 C ATOM 0 H TRP A 63 30.552 -8.260 -4.740 1.00 0.00 H new ATOM 0 HA TRP A 63 29.346 -7.624 -7.185 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.351 -8.067 -4.366 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.246 -7.712 -5.679 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.922 -10.518 -4.028 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.704 -12.723 -5.324 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.227 -8.624 -8.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.900 -13.534 -7.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.735 -10.157 -10.360 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.073 -12.604 -10.117 1.00 0.00 H new ATOM 443 N LYS A 64 29.583 -5.103 -5.138 1.00 0.00 N ATOM 444 CA LYS A 64 29.395 -3.667 -5.037 1.00 0.00 C ATOM 445 C LYS A 64 29.808 -3.004 -6.355 1.00 0.00 C ATOM 446 O LYS A 64 29.121 -2.109 -6.839 1.00 0.00 O ATOM 447 CB LYS A 64 30.234 -3.129 -3.869 1.00 0.00 C ATOM 448 CG LYS A 64 29.817 -1.689 -3.540 1.00 0.00 C ATOM 449 CD LYS A 64 28.529 -1.693 -2.701 1.00 0.00 C ATOM 450 CE LYS A 64 27.533 -0.670 -3.260 1.00 0.00 C ATOM 451 NZ LYS A 64 26.903 -1.164 -4.498 1.00 0.00 N ATOM 0 H LYS A 64 30.196 -5.497 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 64 28.346 -3.438 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.101 -3.764 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.293 -3.159 -4.127 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.615 -1.186 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.659 -1.128 -4.461 1.00 0.00 H new ATOM 0 HD2 LYS A 64 28.084 -2.688 -2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 64 28.761 -1.456 -1.663 1.00 0.00 H new ATOM 0 HE2 LYS A 64 26.765 -0.462 -2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 64 28.047 0.270 -3.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 26.285 -0.426 -4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 27.640 -1.404 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 26.338 -2.011 -4.286 1.00 0.00 H new ATOM 465 N VAL A 65 30.931 -3.456 -6.931 1.00 0.00 N ATOM 466 CA VAL A 65 31.441 -2.919 -8.187 1.00 0.00 C ATOM 467 C VAL A 65 30.428 -3.170 -9.302 1.00 0.00 C ATOM 468 O VAL A 65 30.050 -2.247 -10.022 1.00 0.00 O ATOM 469 CB VAL A 65 32.788 -3.590 -8.516 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.274 -3.137 -9.895 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.829 -3.203 -7.465 1.00 0.00 C ATOM 0 H VAL A 65 31.505 -4.201 -6.536 1.00 0.00 H new ATOM 0 HA VAL A 65 31.595 -1.844 -8.096 1.00 0.00 H new ATOM 0 HB VAL A 65 32.652 -4.671 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 65 34.227 -3.616 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.539 -3.418 -10.650 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.402 -2.055 -9.898 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.780 -3.680 -7.702 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.957 -2.121 -7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.493 -3.532 -6.482 1.00 0.00 H new ATOM 481 N ILE A 66 29.996 -4.425 -9.441 1.00 0.00 N ATOM 482 CA ILE A 66 29.042 -4.809 -10.471 1.00 0.00 C ATOM 483 C ILE A 66 27.753 -3.994 -10.314 1.00 0.00 C ATOM 484 O ILE A 66 27.165 -3.564 -11.305 1.00 0.00 O ATOM 485 CB ILE A 66 28.781 -6.324 -10.368 1.00 0.00 C ATOM 486 CG1 ILE A 66 30.084 -7.078 -10.693 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.683 -6.732 -11.359 1.00 0.00 C ATOM 488 CD1 ILE A 66 30.014 -8.521 -10.198 1.00 0.00 C ATOM 0 H ILE A 66 30.298 -5.196 -8.845 1.00 0.00 H new ATOM 0 HA ILE A 66 29.443 -4.597 -11.462 1.00 0.00 H new ATOM 0 HB ILE A 66 28.453 -6.573 -9.359 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.258 -7.066 -11.769 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.929 -6.570 -10.228 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.503 -7.804 -11.281 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.765 -6.192 -11.127 1.00 0.00 H new ATOM 0 HG23 ILE A 66 28.000 -6.490 -12.373 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.945 -9.034 -10.439 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.864 -8.528 -9.118 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.182 -9.032 -10.683 1.00 0.00 H new ATOM 500 N ALA A 67 27.324 -3.778 -9.067 1.00 0.00 N ATOM 501 CA ALA A 67 26.123 -3.011 -8.780 1.00 0.00 C ATOM 502 C ALA A 67 26.314 -1.552 -9.189 1.00 0.00 C ATOM 503 O ALA A 67 25.402 -0.940 -9.730 1.00 0.00 O ATOM 504 CB ALA A 67 25.807 -3.110 -7.291 1.00 0.00 C ATOM 0 H ALA A 67 27.801 -4.130 -8.237 1.00 0.00 H new ATOM 0 HA ALA A 67 25.289 -3.417 -9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.907 -2.536 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.647 -4.154 -7.022 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.642 -2.711 -6.715 1.00 0.00 H new ATOM 510 N ASN A 68 27.501 -0.991 -8.930 1.00 0.00 N ATOM 511 CA ASN A 68 27.785 0.396 -9.281 1.00 0.00 C ATOM 512 C ASN A 68 27.641 0.591 -10.794 1.00 0.00 C ATOM 513 O ASN A 68 27.223 1.658 -11.240 1.00 0.00 O ATOM 514 CB ASN A 68 29.194 0.779 -8.811 1.00 0.00 C ATOM 515 CG ASN A 68 29.294 0.799 -7.284 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.292 0.651 -6.583 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.510 0.983 -6.769 1.00 0.00 N ATOM 0 H ASN A 68 28.275 -1.479 -8.480 1.00 0.00 H new ATOM 0 HA ASN A 68 27.069 1.048 -8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.918 0.070 -9.214 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.455 1.761 -9.206 1.00 0.00 H new ATOM 0 HD21 ASN A 68 30.637 1.005 -5.757 1.00 0.00 H new ATOM 0 HD22 ASN A 68 31.313 1.101 -7.387 1.00 0.00 H new ATOM 524 N TYR A 69 27.980 -0.441 -11.583 1.00 0.00 N ATOM 525 CA TYR A 69 27.863 -0.374 -13.037 1.00 0.00 C ATOM 526 C TYR A 69 26.409 -0.605 -13.472 1.00 0.00 C ATOM 527 O TYR A 69 26.061 -0.322 -14.618 1.00 0.00 O ATOM 528 CB TYR A 69 28.786 -1.418 -13.677 1.00 0.00 C ATOM 529 CG TYR A 69 30.248 -1.018 -13.670 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.660 0.149 -14.341 1.00 0.00 C ATOM 531 CD2 TYR A 69 31.198 -1.815 -13.004 1.00 0.00 C ATOM 532 CE1 TYR A 69 32.015 0.520 -14.342 1.00 0.00 C ATOM 533 CE2 TYR A 69 32.554 -1.443 -13.008 1.00 0.00 C ATOM 534 CZ TYR A 69 32.961 -0.276 -13.675 1.00 0.00 C ATOM 535 OH TYR A 69 34.277 0.083 -13.677 1.00 0.00 O ATOM 0 H TYR A 69 28.337 -1.330 -11.232 1.00 0.00 H new ATOM 0 HA TYR A 69 28.163 0.619 -13.371 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.674 -2.364 -13.147 1.00 0.00 H new ATOM 0 HB3 TYR A 69 28.469 -1.589 -14.706 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.933 0.760 -14.856 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.885 -2.712 -12.490 1.00 0.00 H new ATOM 0 HE1 TYR A 69 32.329 1.417 -14.855 1.00 0.00 H new ATOM 0 HE2 TYR A 69 33.283 -2.055 -12.498 1.00 0.00 H new ATOM 0 HH TYR A 69 34.796 -0.575 -13.169 1.00 0.00 H new ATOM 545 N LEU A 70 25.564 -1.116 -12.560 1.00 0.00 N ATOM 546 CA LEU A 70 24.156 -1.371 -12.845 1.00 0.00 C ATOM 547 C LEU A 70 23.290 -0.581 -11.857 1.00 0.00 C ATOM 548 O LEU A 70 22.879 -1.126 -10.833 1.00 0.00 O ATOM 549 CB LEU A 70 23.868 -2.874 -12.713 1.00 0.00 C ATOM 550 CG LEU A 70 24.656 -3.680 -13.757 1.00 0.00 C ATOM 551 CD1 LEU A 70 24.602 -5.162 -13.385 1.00 0.00 C ATOM 552 CD2 LEU A 70 24.042 -3.487 -15.147 1.00 0.00 C ATOM 0 H LEU A 70 25.844 -1.360 -11.610 1.00 0.00 H new ATOM 0 HA LEU A 70 23.923 -1.054 -13.862 1.00 0.00 H new ATOM 0 HB2 LEU A 70 24.134 -3.212 -11.711 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.801 -3.056 -12.838 1.00 0.00 H new ATOM 0 HG LEU A 70 25.689 -3.333 -13.774 1.00 0.00 H new ATOM 0 HD11 LEU A 70 25.159 -5.742 -14.121 1.00 0.00 H new ATOM 0 HD12 LEU A 70 25.044 -5.306 -12.399 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.564 -5.496 -13.370 1.00 0.00 H new ATOM 0 HD21 LEU A 70 24.609 -4.063 -15.878 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.007 -3.830 -15.138 1.00 0.00 H new ATOM 0 HD23 LEU A 70 24.072 -2.431 -15.415 1.00 0.00 H new ATOM 564 N PRO A 71 23.004 0.706 -12.151 1.00 0.00 N ATOM 565 CA PRO A 71 22.202 1.542 -11.279 1.00 0.00 C ATOM 566 C PRO A 71 20.881 0.855 -10.934 1.00 0.00 C ATOM 567 O PRO A 71 20.344 0.098 -11.744 1.00 0.00 O ATOM 568 CB PRO A 71 21.981 2.851 -12.041 1.00 0.00 C ATOM 569 CG PRO A 71 22.884 2.798 -13.280 1.00 0.00 C ATOM 570 CD PRO A 71 23.458 1.382 -13.349 1.00 0.00 C ATOM 0 HA PRO A 71 22.699 1.728 -10.327 1.00 0.00 H new ATOM 0 HB2 PRO A 71 20.935 2.959 -12.329 1.00 0.00 H new ATOM 0 HB3 PRO A 71 22.230 3.709 -11.417 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.317 3.029 -14.182 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.683 3.536 -13.208 1.00 0.00 H new ATOM 0 HD2 PRO A 71 23.112 0.864 -14.244 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.547 1.405 -13.395 1.00 0.00 H new ATOM 578 N ASN A 72 20.369 1.121 -9.719 1.00 0.00 N ATOM 579 CA ASN A 72 19.118 0.534 -9.223 1.00 0.00 C ATOM 580 C ASN A 72 19.318 -0.936 -8.822 1.00 0.00 C ATOM 581 O ASN A 72 18.732 -1.386 -7.838 1.00 0.00 O ATOM 582 CB ASN A 72 17.990 0.678 -10.265 1.00 0.00 C ATOM 583 CG ASN A 72 16.814 1.461 -9.689 1.00 0.00 C ATOM 584 OD1 ASN A 72 15.811 0.875 -9.292 1.00 0.00 O ATOM 585 ND2 ASN A 72 16.939 2.788 -9.646 1.00 0.00 N ATOM 0 H ASN A 72 20.815 1.752 -9.053 1.00 0.00 H new ATOM 0 HA ASN A 72 18.820 1.084 -8.330 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.371 1.185 -11.151 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.654 -0.309 -10.582 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.182 3.360 -9.271 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.792 3.231 -9.988 1.00 0.00 H new ATOM 592 N ARG A 73 20.135 -1.685 -9.576 1.00 0.00 N ATOM 593 CA ARG A 73 20.382 -3.088 -9.283 1.00 0.00 C ATOM 594 C ARG A 73 21.416 -3.214 -8.168 1.00 0.00 C ATOM 595 O ARG A 73 22.617 -3.258 -8.425 1.00 0.00 O ATOM 596 CB ARG A 73 20.853 -3.809 -10.551 1.00 0.00 C ATOM 597 CG ARG A 73 19.808 -3.672 -11.665 1.00 0.00 C ATOM 598 CD ARG A 73 18.475 -4.255 -11.196 1.00 0.00 C ATOM 599 NE ARG A 73 17.559 -4.443 -12.319 1.00 0.00 N ATOM 600 CZ ARG A 73 16.440 -5.173 -12.229 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.099 -5.751 -11.070 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.663 -5.323 -13.303 1.00 0.00 N ATOM 0 H ARG A 73 20.633 -1.334 -10.394 1.00 0.00 H new ATOM 0 HA ARG A 73 19.457 -3.555 -8.945 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.804 -3.391 -10.882 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.026 -4.863 -10.334 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.683 -2.623 -11.932 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.148 -4.191 -12.561 1.00 0.00 H new ATOM 0 HD2 ARG A 73 18.647 -5.210 -10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.022 -3.590 -10.461 1.00 0.00 H new ATOM 0 HE ARG A 73 17.782 -3.999 -13.210 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.693 -5.636 -10.249 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.245 -6.306 -11.009 1.00 0.00 H new ATOM 0 HH21 ARG A 73 15.923 -4.883 -14.186 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.809 -5.878 -13.241 1.00 0.00 H new ATOM 616 N THR A 74 20.933 -3.276 -6.924 1.00 0.00 N ATOM 617 CA THR A 74 21.786 -3.409 -5.756 1.00 0.00 C ATOM 618 C THR A 74 22.625 -4.686 -5.850 1.00 0.00 C ATOM 619 O THR A 74 22.228 -5.654 -6.498 1.00 0.00 O ATOM 620 CB THR A 74 20.910 -3.441 -4.491 1.00 0.00 C ATOM 621 OG1 THR A 74 19.649 -2.859 -4.763 1.00 0.00 O ATOM 622 CG2 THR A 74 21.596 -2.664 -3.365 1.00 0.00 C ATOM 0 H THR A 74 19.937 -3.235 -6.706 1.00 0.00 H new ATOM 0 HA THR A 74 22.465 -2.557 -5.707 1.00 0.00 H new ATOM 0 HB THR A 74 20.771 -4.478 -4.184 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.096 -2.884 -3.954 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.971 -2.690 -2.472 1.00 0.00 H new ATOM 0 HG22 THR A 74 22.562 -3.118 -3.145 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.744 -1.629 -3.674 1.00 0.00 H new ATOM 630 N ASP A 75 23.784 -4.681 -5.191 1.00 0.00 N ATOM 631 CA ASP A 75 24.681 -5.832 -5.166 1.00 0.00 C ATOM 632 C ASP A 75 23.946 -7.070 -4.648 1.00 0.00 C ATOM 633 O ASP A 75 24.204 -8.178 -5.112 1.00 0.00 O ATOM 634 CB ASP A 75 25.901 -5.514 -4.288 1.00 0.00 C ATOM 635 CG ASP A 75 25.543 -4.561 -3.155 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.593 -3.334 -3.413 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.221 -5.070 -2.063 1.00 0.00 O ATOM 0 H ASP A 75 24.125 -3.879 -4.661 1.00 0.00 H new ATOM 0 HA ASP A 75 25.022 -6.044 -6.179 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.303 -6.439 -3.873 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.686 -5.072 -4.901 1.00 0.00 H new ATOM 642 N VAL A 76 23.032 -6.879 -3.692 1.00 0.00 N ATOM 643 CA VAL A 76 22.270 -7.978 -3.121 1.00 0.00 C ATOM 644 C VAL A 76 21.462 -8.688 -4.214 1.00 0.00 C ATOM 645 O VAL A 76 21.586 -9.902 -4.386 1.00 0.00 O ATOM 646 CB VAL A 76 21.343 -7.439 -2.019 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.528 -8.591 -1.419 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.178 -6.782 -0.914 1.00 0.00 C ATOM 0 H VAL A 76 22.806 -5.965 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 76 22.954 -8.704 -2.682 1.00 0.00 H new ATOM 0 HB VAL A 76 20.668 -6.701 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 76 19.872 -8.205 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.927 -9.057 -2.200 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.204 -9.331 -0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.517 -6.402 -0.136 1.00 0.00 H new ATOM 0 HG22 VAL A 76 22.858 -7.518 -0.485 1.00 0.00 H new ATOM 0 HG23 VAL A 76 22.754 -5.958 -1.335 1.00 0.00 H new ATOM 658 N GLN A 77 20.628 -7.935 -4.949 1.00 0.00 N ATOM 659 CA GLN A 77 19.785 -8.522 -5.984 1.00 0.00 C ATOM 660 C GLN A 77 20.628 -8.988 -7.178 1.00 0.00 C ATOM 661 O GLN A 77 20.237 -9.926 -7.862 1.00 0.00 O ATOM 662 CB GLN A 77 18.678 -7.543 -6.411 1.00 0.00 C ATOM 663 CG GLN A 77 19.261 -6.241 -6.961 1.00 0.00 C ATOM 664 CD GLN A 77 18.147 -5.336 -7.480 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.525 -5.634 -8.501 1.00 0.00 O ATOM 666 NE2 GLN A 77 17.893 -4.231 -6.778 1.00 0.00 N ATOM 0 H GLN A 77 20.525 -6.926 -4.841 1.00 0.00 H new ATOM 0 HA GLN A 77 19.296 -9.403 -5.569 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.050 -8.011 -7.170 1.00 0.00 H new ATOM 0 HB3 GLN A 77 18.036 -7.323 -5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 77 19.821 -5.727 -6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 77 19.964 -6.461 -7.765 1.00 0.00 H new ATOM 0 HE21 GLN A 77 18.434 -4.025 -5.938 1.00 0.00 H new ATOM 0 HE22 GLN A 77 17.158 -3.592 -7.081 1.00 0.00 H new ATOM 675 N CYS A 78 21.786 -8.352 -7.428 1.00 0.00 N ATOM 676 CA CYS A 78 22.666 -8.775 -8.515 1.00 0.00 C ATOM 677 C CYS A 78 23.209 -10.164 -8.196 1.00 0.00 C ATOM 678 O CYS A 78 23.112 -11.080 -9.014 1.00 0.00 O ATOM 679 CB CYS A 78 23.825 -7.786 -8.684 1.00 0.00 C ATOM 680 SG CYS A 78 23.233 -6.309 -9.544 1.00 0.00 S ATOM 0 H CYS A 78 22.126 -7.552 -6.894 1.00 0.00 H new ATOM 0 HA CYS A 78 22.102 -8.801 -9.447 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.231 -7.515 -7.710 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.634 -8.250 -9.249 1.00 0.00 H new ATOM 0 HG CYS A 78 23.012 -5.363 -8.680 1.00 0.00 H new ATOM 686 N GLN A 79 23.779 -10.311 -6.994 1.00 0.00 N ATOM 687 CA GLN A 79 24.333 -11.572 -6.543 1.00 0.00 C ATOM 688 C GLN A 79 23.265 -12.656 -6.602 1.00 0.00 C ATOM 689 O GLN A 79 23.482 -13.707 -7.204 1.00 0.00 O ATOM 690 CB GLN A 79 24.859 -11.404 -5.115 1.00 0.00 C ATOM 691 CG GLN A 79 25.419 -12.736 -4.612 1.00 0.00 C ATOM 692 CD GLN A 79 26.206 -12.549 -3.320 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.959 -11.612 -2.567 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.157 -13.447 -3.066 1.00 0.00 N ATOM 0 H GLN A 79 23.864 -9.554 -6.315 1.00 0.00 H new ATOM 0 HA GLN A 79 25.157 -11.870 -7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.636 -10.640 -5.091 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.057 -11.065 -4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.602 -13.438 -4.445 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.064 -13.174 -5.374 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.327 -14.210 -3.722 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.715 -13.372 -2.216 1.00 0.00 H new ATOM 703 N HIS A 80 22.111 -12.396 -5.975 1.00 0.00 N ATOM 704 CA HIS A 80 21.009 -13.343 -5.958 1.00 0.00 C ATOM 705 C HIS A 80 20.628 -13.729 -7.380 1.00 0.00 C ATOM 706 O HIS A 80 20.607 -14.908 -7.712 1.00 0.00 O ATOM 707 CB HIS A 80 19.804 -12.718 -5.245 1.00 0.00 C ATOM 708 CG HIS A 80 19.812 -12.937 -3.756 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.779 -12.501 -2.936 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.701 -13.550 -2.907 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.097 -12.870 -1.681 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.259 -13.517 -1.593 1.00 0.00 N ATOM 0 H HIS A 80 21.924 -11.529 -5.472 1.00 0.00 H new ATOM 0 HA HIS A 80 21.318 -14.240 -5.422 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.787 -11.647 -5.447 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.888 -13.136 -5.662 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.629 -14.002 -3.224 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.470 -12.662 -0.827 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.713 -13.896 -0.762 1.00 0.00 H new ATOM 720 N ARG A 81 20.319 -12.733 -8.214 1.00 0.00 N ATOM 721 CA ARG A 81 19.892 -12.979 -9.580 1.00 0.00 C ATOM 722 C ARG A 81 20.856 -13.928 -10.284 1.00 0.00 C ATOM 723 O ARG A 81 20.417 -14.828 -10.986 1.00 0.00 O ATOM 724 CB ARG A 81 19.782 -11.650 -10.341 1.00 0.00 C ATOM 725 CG ARG A 81 19.325 -11.895 -11.791 1.00 0.00 C ATOM 726 CD ARG A 81 17.941 -12.556 -11.806 1.00 0.00 C ATOM 727 NE ARG A 81 17.388 -12.597 -13.165 1.00 0.00 N ATOM 728 CZ ARG A 81 16.187 -13.128 -13.449 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.435 -13.650 -12.470 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.737 -13.138 -14.709 1.00 0.00 N ATOM 0 H ARG A 81 20.359 -11.746 -7.959 1.00 0.00 H new ATOM 0 HA ARG A 81 18.911 -13.453 -9.561 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.074 -10.993 -9.836 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.746 -11.142 -10.338 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.291 -10.950 -12.334 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.046 -12.532 -12.304 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.014 -13.569 -11.409 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.265 -12.006 -11.152 1.00 0.00 H new ATOM 0 HE ARG A 81 17.940 -12.205 -13.928 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.774 -13.644 -11.508 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.523 -14.053 -12.687 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.306 -12.742 -15.457 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.825 -13.542 -14.922 1.00 0.00 H new ATOM 744 N TRP A 82 22.167 -13.734 -10.112 1.00 0.00 N ATOM 745 CA TRP A 82 23.129 -14.578 -10.790 1.00 0.00 C ATOM 746 C TRP A 82 23.305 -15.921 -10.074 1.00 0.00 C ATOM 747 O TRP A 82 22.862 -16.948 -10.574 1.00 0.00 O ATOM 748 CB TRP A 82 24.476 -13.869 -10.931 1.00 0.00 C ATOM 749 CG TRP A 82 25.448 -14.664 -11.739 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.373 -15.506 -11.250 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.565 -14.763 -13.190 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.047 -16.137 -12.265 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.583 -15.718 -13.497 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.904 -14.159 -14.287 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.917 -16.062 -14.807 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.245 -14.501 -15.612 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.245 -15.455 -15.869 1.00 0.00 C ATOM 0 H TRP A 82 22.572 -13.011 -9.518 1.00 0.00 H new ATOM 0 HA TRP A 82 22.737 -14.779 -11.787 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.326 -12.896 -11.400 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.893 -13.685 -9.941 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.561 -15.665 -10.198 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.790 -16.822 -12.128 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.130 -13.428 -14.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.689 -16.792 -14.998 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.734 -14.026 -16.436 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.493 -15.718 -16.887 1.00 0.00 H new ATOM 768 N GLN A 83 23.975 -15.914 -8.918 1.00 0.00 N ATOM 769 CA GLN A 83 24.316 -17.141 -8.203 1.00 0.00 C ATOM 770 C GLN A 83 23.093 -18.028 -7.943 1.00 0.00 C ATOM 771 O GLN A 83 23.228 -19.250 -7.916 1.00 0.00 O ATOM 772 CB GLN A 83 25.007 -16.785 -6.881 1.00 0.00 C ATOM 773 CG GLN A 83 26.361 -16.120 -7.167 1.00 0.00 C ATOM 774 CD GLN A 83 27.259 -16.136 -5.933 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.593 -15.087 -5.388 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.655 -17.331 -5.493 1.00 0.00 N ATOM 0 H GLN A 83 24.293 -15.062 -8.456 1.00 0.00 H new ATOM 0 HA GLN A 83 24.993 -17.716 -8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.376 -16.112 -6.300 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.152 -17.684 -6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.857 -16.639 -7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.202 -15.091 -7.490 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.354 -18.178 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.259 -17.398 -4.674 1.00 0.00 H new ATOM 785 N LYS A 84 21.912 -17.433 -7.739 1.00 0.00 N ATOM 786 CA LYS A 84 20.716 -18.206 -7.422 1.00 0.00 C ATOM 787 C LYS A 84 19.939 -18.610 -8.686 1.00 0.00 C ATOM 788 O LYS A 84 18.991 -19.388 -8.583 1.00 0.00 O ATOM 789 CB LYS A 84 19.830 -17.388 -6.470 1.00 0.00 C ATOM 790 CG LYS A 84 18.959 -18.323 -5.620 1.00 0.00 C ATOM 791 CD LYS A 84 18.583 -17.633 -4.303 1.00 0.00 C ATOM 792 CE LYS A 84 17.757 -16.374 -4.583 1.00 0.00 C ATOM 793 NZ LYS A 84 17.344 -15.725 -3.325 1.00 0.00 N ATOM 0 H LYS A 84 21.764 -16.425 -7.788 1.00 0.00 H new ATOM 0 HA LYS A 84 21.020 -19.133 -6.936 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.453 -16.771 -5.822 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.197 -16.711 -7.043 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.057 -18.593 -6.169 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.497 -19.249 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.014 -18.318 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 84 19.485 -17.370 -3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.342 -15.676 -5.182 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.876 -16.635 -5.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.309 -15.627 -3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.650 -16.306 -2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 17.782 -14.784 -3.260 1.00 0.00 H new ATOM 807 N VAL A 85 20.323 -18.097 -9.875 1.00 0.00 N ATOM 808 CA VAL A 85 19.625 -18.439 -11.118 1.00 0.00 C ATOM 809 C VAL A 85 20.634 -18.679 -12.256 1.00 0.00 C ATOM 810 O VAL A 85 20.828 -19.822 -12.668 1.00 0.00 O ATOM 811 CB VAL A 85 18.613 -17.334 -11.490 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.628 -17.876 -12.529 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.835 -16.875 -10.248 1.00 0.00 C ATOM 0 H VAL A 85 21.105 -17.452 -9.993 1.00 0.00 H new ATOM 0 HA VAL A 85 19.070 -19.364 -10.964 1.00 0.00 H new ATOM 0 HB VAL A 85 19.158 -16.484 -11.899 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.913 -17.097 -12.793 1.00 0.00 H new ATOM 0 HG12 VAL A 85 18.173 -18.185 -13.421 1.00 0.00 H new ATOM 0 HG13 VAL A 85 17.096 -18.732 -12.114 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.127 -16.096 -10.530 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.294 -17.721 -9.824 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.531 -16.482 -9.507 1.00 0.00 H new ATOM 823 N LEU A 86 21.274 -17.611 -12.771 1.00 0.00 N ATOM 824 CA LEU A 86 22.237 -17.747 -13.865 1.00 0.00 C ATOM 825 C LEU A 86 23.519 -18.394 -13.348 1.00 0.00 C ATOM 826 O LEU A 86 24.375 -17.715 -12.787 1.00 0.00 O ATOM 827 CB LEU A 86 22.583 -16.375 -14.473 1.00 0.00 C ATOM 828 CG LEU A 86 21.426 -15.766 -15.291 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.804 -16.811 -16.218 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.360 -15.188 -14.360 1.00 0.00 C ATOM 0 H LEU A 86 21.138 -16.654 -12.445 1.00 0.00 H new ATOM 0 HA LEU A 86 21.784 -18.371 -14.635 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.855 -15.688 -13.672 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.458 -16.479 -15.114 1.00 0.00 H new ATOM 0 HG LEU A 86 21.833 -14.961 -15.904 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.991 -16.357 -16.784 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.562 -17.183 -16.907 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.415 -17.639 -15.625 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.551 -14.762 -14.953 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.965 -15.980 -13.723 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.803 -14.409 -13.739 1.00 0.00 H new