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 57 GLN : amide:sc= 0.0586 X(o=0.98,f=0.86) USER MOD Set 1.2: A 58 ASN : amide:sc= 0.917 K(o=0.98,f=-0.076) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 166:sc= 2.49 (180deg=1.32) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0.405 (180deg=0.367) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 2.37 (180deg=2.29) USER MOD Single : A 68 ASN : amide:sc= -0.442 K(o=-0.44,f=-1.4) 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 74 THR OG1 : rot 180:sc= -0.0673 USER MOD Single : A 77 GLN : amide:sc= -0.177 K(o=-0.18,f=-2!) USER MOD Single : A 78 CYS SG : rot 94:sc= -0.0437 USER MOD Single : A 79 GLN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.0305 X(o=-0.031,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.201 K(o=-0.2,f=-0.97!) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc=-0.00726 (180deg=-0.166) USER MOD ----------------------------------------------------------------- ATOM 89 N TRP A 43 13.216 -8.220 -12.615 1.00 0.00 N ATOM 90 CA TRP A 43 14.243 -8.508 -13.620 1.00 0.00 C ATOM 91 C TRP A 43 13.628 -8.843 -14.982 1.00 0.00 C ATOM 92 O TRP A 43 12.451 -9.186 -15.085 1.00 0.00 O ATOM 93 CB TRP A 43 15.152 -9.646 -13.137 1.00 0.00 C ATOM 94 CG TRP A 43 16.207 -9.218 -12.173 1.00 0.00 C ATOM 95 CD1 TRP A 43 16.076 -9.153 -10.838 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.569 -8.788 -12.450 1.00 0.00 C ATOM 97 NE1 TRP A 43 17.240 -8.722 -10.252 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.208 -8.474 -11.211 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.337 -8.634 -13.624 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.532 -8.028 -11.144 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.669 -8.179 -13.565 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.265 -7.875 -12.328 1.00 0.00 C ATOM 0 HA TRP A 43 14.844 -7.608 -13.751 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.536 -10.413 -12.668 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.631 -10.106 -14.002 1.00 0.00 H new ATOM 0 HD1 TRP A 43 15.176 -9.406 -10.298 1.00 0.00 H new ATOM 0 HE1 TRP A 43 17.374 -8.601 -9.248 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.897 -8.868 -14.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.985 -7.804 -10.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.237 -8.063 -14.476 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.286 -7.524 -12.291 1.00 0.00 H new ATOM 113 N THR A 44 14.453 -8.734 -16.032 1.00 0.00 N ATOM 114 CA THR A 44 14.042 -9.022 -17.398 1.00 0.00 C ATOM 115 C THR A 44 15.228 -9.621 -18.153 1.00 0.00 C ATOM 116 O THR A 44 16.378 -9.385 -17.785 1.00 0.00 O ATOM 117 CB THR A 44 13.567 -7.729 -18.083 1.00 0.00 C ATOM 118 OG1 THR A 44 14.544 -6.721 -17.928 1.00 0.00 O ATOM 119 CG2 THR A 44 12.251 -7.253 -17.463 1.00 0.00 C ATOM 0 H THR A 44 15.427 -8.442 -15.949 1.00 0.00 H new ATOM 0 HA THR A 44 13.216 -9.734 -17.397 1.00 0.00 H new ATOM 0 HB THR A 44 13.412 -7.932 -19.143 1.00 0.00 H new ATOM 0 HG1 THR A 44 14.239 -5.900 -18.367 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.926 -6.337 -17.957 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.490 -8.023 -17.589 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.398 -7.059 -16.401 1.00 0.00 H new ATOM 127 N ARG A 45 14.946 -10.391 -19.211 1.00 0.00 N ATOM 128 CA ARG A 45 15.987 -11.022 -20.018 1.00 0.00 C ATOM 129 C ARG A 45 16.967 -9.966 -20.538 1.00 0.00 C ATOM 130 O ARG A 45 18.172 -10.213 -20.604 1.00 0.00 O ATOM 131 CB ARG A 45 15.326 -11.780 -21.178 1.00 0.00 C ATOM 132 CG ARG A 45 16.381 -12.559 -21.977 1.00 0.00 C ATOM 133 CD ARG A 45 16.772 -11.772 -23.236 1.00 0.00 C ATOM 134 NE ARG A 45 17.847 -12.448 -23.975 1.00 0.00 N ATOM 135 CZ ARG A 45 19.141 -12.404 -23.605 1.00 0.00 C ATOM 136 NH1 ARG A 45 19.498 -11.818 -22.453 1.00 0.00 N ATOM 137 NH2 ARG A 45 20.076 -12.950 -24.393 1.00 0.00 N ATOM 0 H ARG A 45 13.997 -10.591 -19.527 1.00 0.00 H new ATOM 0 HA ARG A 45 16.552 -11.727 -19.409 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.574 -12.467 -20.790 1.00 0.00 H new ATOM 0 HB3 ARG A 45 14.810 -11.078 -21.833 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.262 -12.733 -21.359 1.00 0.00 H new ATOM 0 HG3 ARG A 45 15.989 -13.537 -22.256 1.00 0.00 H new ATOM 0 HD2 ARG A 45 15.901 -11.657 -23.881 1.00 0.00 H new ATOM 0 HD3 ARG A 45 17.095 -10.770 -22.955 1.00 0.00 H new ATOM 0 HE ARG A 45 17.601 -12.978 -24.811 1.00 0.00 H new ATOM 0 HH11 ARG A 45 18.788 -11.402 -21.851 1.00 0.00 H new ATOM 0 HH12 ARG A 45 20.480 -11.788 -22.179 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.807 -13.397 -25.269 1.00 0.00 H new ATOM 0 HH22 ARG A 45 21.057 -12.919 -24.117 1.00 0.00 H new ATOM 151 N GLU A 46 16.444 -8.791 -20.908 1.00 0.00 N ATOM 152 CA GLU A 46 17.258 -7.699 -21.424 1.00 0.00 C ATOM 153 C GLU A 46 18.274 -7.247 -20.363 1.00 0.00 C ATOM 154 O GLU A 46 19.373 -6.809 -20.697 1.00 0.00 O ATOM 155 CB GLU A 46 16.323 -6.547 -21.835 1.00 0.00 C ATOM 156 CG GLU A 46 16.969 -5.690 -22.933 1.00 0.00 C ATOM 157 CD GLU A 46 17.932 -4.668 -22.345 1.00 0.00 C ATOM 158 OE1 GLU A 46 17.457 -3.842 -21.534 1.00 0.00 O ATOM 159 OE2 GLU A 46 19.124 -4.729 -22.710 1.00 0.00 O ATOM 0 H GLU A 46 15.448 -8.577 -20.856 1.00 0.00 H new ATOM 0 HA GLU A 46 17.824 -8.027 -22.296 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.375 -6.951 -22.192 1.00 0.00 H new ATOM 0 HB3 GLU A 46 16.099 -5.927 -20.967 1.00 0.00 H new ATOM 0 HG2 GLU A 46 17.502 -6.334 -23.633 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.193 -5.176 -23.500 1.00 0.00 H new ATOM 166 N GLU A 47 17.905 -7.361 -19.080 1.00 0.00 N ATOM 167 CA GLU A 47 18.783 -6.977 -17.986 1.00 0.00 C ATOM 168 C GLU A 47 19.779 -8.102 -17.707 1.00 0.00 C ATOM 169 O GLU A 47 20.960 -7.842 -17.477 1.00 0.00 O ATOM 170 CB GLU A 47 17.942 -6.672 -16.744 1.00 0.00 C ATOM 171 CG GLU A 47 18.742 -5.802 -15.773 1.00 0.00 C ATOM 172 CD GLU A 47 18.523 -4.322 -16.062 1.00 0.00 C ATOM 173 OE1 GLU A 47 18.997 -3.872 -17.131 1.00 0.00 O ATOM 174 OE2 GLU A 47 17.883 -3.669 -15.206 1.00 0.00 O ATOM 0 H GLU A 47 16.998 -7.719 -18.782 1.00 0.00 H new ATOM 0 HA GLU A 47 19.343 -6.082 -18.256 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.024 -6.160 -17.033 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.649 -7.601 -16.256 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.444 -6.025 -14.749 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.803 -6.040 -15.855 1.00 0.00 H new ATOM 181 N ASP A 48 19.300 -9.355 -17.735 1.00 0.00 N ATOM 182 CA ASP A 48 20.152 -10.516 -17.508 1.00 0.00 C ATOM 183 C ASP A 48 21.319 -10.502 -18.494 1.00 0.00 C ATOM 184 O ASP A 48 22.422 -10.929 -18.157 1.00 0.00 O ATOM 185 CB ASP A 48 19.330 -11.800 -17.667 1.00 0.00 C ATOM 186 CG ASP A 48 18.215 -11.877 -16.630 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.483 -11.495 -15.472 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.112 -12.322 -17.011 1.00 0.00 O ATOM 0 H ASP A 48 18.322 -9.583 -17.914 1.00 0.00 H new ATOM 0 HA ASP A 48 20.552 -10.480 -16.495 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.901 -11.838 -18.668 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.983 -12.667 -17.567 1.00 0.00 H new ATOM 193 N GLU A 49 21.073 -10.001 -19.713 1.00 0.00 N ATOM 194 CA GLU A 49 22.106 -9.899 -20.731 1.00 0.00 C ATOM 195 C GLU A 49 23.255 -9.034 -20.205 1.00 0.00 C ATOM 196 O GLU A 49 24.421 -9.423 -20.289 1.00 0.00 O ATOM 197 CB GLU A 49 21.501 -9.290 -22.007 1.00 0.00 C ATOM 198 CG GLU A 49 22.133 -9.930 -23.247 1.00 0.00 C ATOM 199 CD GLU A 49 23.619 -9.616 -23.330 1.00 0.00 C ATOM 200 OE1 GLU A 49 23.944 -8.410 -23.399 1.00 0.00 O ATOM 201 OE2 GLU A 49 24.409 -10.586 -23.326 1.00 0.00 O ATOM 0 H GLU A 49 20.159 -9.660 -20.011 1.00 0.00 H new ATOM 0 HA GLU A 49 22.499 -10.888 -20.969 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.422 -9.446 -22.018 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.667 -8.213 -22.019 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.988 -11.010 -23.216 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.631 -9.566 -24.143 1.00 0.00 H new ATOM 208 N LYS A 50 22.916 -7.860 -19.656 1.00 0.00 N ATOM 209 CA LYS A 50 23.908 -6.946 -19.115 1.00 0.00 C ATOM 210 C LYS A 50 24.624 -7.602 -17.940 1.00 0.00 C ATOM 211 O LYS A 50 25.847 -7.529 -17.839 1.00 0.00 O ATOM 212 CB LYS A 50 23.235 -5.647 -18.655 1.00 0.00 C ATOM 213 CG LYS A 50 22.429 -5.023 -19.796 1.00 0.00 C ATOM 214 CD LYS A 50 21.931 -3.639 -19.361 1.00 0.00 C ATOM 215 CE LYS A 50 20.732 -3.217 -20.213 1.00 0.00 C ATOM 216 NZ LYS A 50 19.526 -3.981 -19.847 1.00 0.00 N ATOM 0 H LYS A 50 21.955 -7.527 -19.579 1.00 0.00 H new ATOM 0 HA LYS A 50 24.634 -6.710 -19.893 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.579 -5.851 -17.809 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.991 -4.942 -18.309 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.047 -4.936 -20.689 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.585 -5.663 -20.053 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.649 -3.660 -18.308 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.733 -2.908 -19.461 1.00 0.00 H new ATOM 0 HE2 LYS A 50 20.545 -2.151 -20.081 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.959 -3.373 -21.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.687 -3.524 -20.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.606 -4.952 -20.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.432 -4.007 -18.812 1.00 0.00 H new ATOM 230 N LEU A 51 23.855 -8.242 -17.045 1.00 0.00 N ATOM 231 CA LEU A 51 24.421 -8.887 -15.873 1.00 0.00 C ATOM 232 C LEU A 51 25.485 -9.896 -16.298 1.00 0.00 C ATOM 233 O LEU A 51 26.589 -9.865 -15.780 1.00 0.00 O ATOM 234 CB LEU A 51 23.307 -9.559 -15.057 1.00 0.00 C ATOM 235 CG LEU A 51 23.861 -10.073 -13.714 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.386 -8.903 -12.873 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.749 -10.783 -12.940 1.00 0.00 C ATOM 0 H LEU A 51 22.841 -8.321 -17.120 1.00 0.00 H new ATOM 0 HA LEU A 51 24.899 -8.139 -15.240 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.500 -8.849 -14.877 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.882 -10.388 -15.623 1.00 0.00 H new ATOM 0 HG LEU A 51 24.677 -10.767 -13.915 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.774 -9.280 -11.927 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.183 -8.394 -13.415 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.574 -8.202 -12.678 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.142 -11.146 -11.990 1.00 0.00 H new ATOM 0 HD22 LEU A 51 21.933 -10.085 -12.752 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.379 -11.625 -13.525 1.00 0.00 H new ATOM 249 N LYS A 52 25.154 -10.783 -17.246 1.00 0.00 N ATOM 250 CA LYS A 52 26.105 -11.774 -17.745 1.00 0.00 C ATOM 251 C LYS A 52 27.417 -11.102 -18.160 1.00 0.00 C ATOM 252 O LYS A 52 28.488 -11.503 -17.706 1.00 0.00 O ATOM 253 CB LYS A 52 25.496 -12.520 -18.938 1.00 0.00 C ATOM 254 CG LYS A 52 24.616 -13.660 -18.434 1.00 0.00 C ATOM 255 CD LYS A 52 24.123 -14.494 -19.617 1.00 0.00 C ATOM 256 CE LYS A 52 23.060 -15.488 -19.139 1.00 0.00 C ATOM 257 NZ LYS A 52 22.522 -16.270 -20.267 1.00 0.00 N ATOM 0 H LYS A 52 24.232 -10.831 -17.681 1.00 0.00 H new ATOM 0 HA LYS A 52 26.321 -12.485 -16.947 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.907 -11.834 -19.546 1.00 0.00 H new ATOM 0 HB3 LYS A 52 26.287 -12.913 -19.576 1.00 0.00 H new ATOM 0 HG2 LYS A 52 25.179 -14.288 -17.743 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.767 -13.259 -17.881 1.00 0.00 H new ATOM 0 HD2 LYS A 52 23.707 -13.843 -20.385 1.00 0.00 H new ATOM 0 HD3 LYS A 52 24.957 -15.029 -20.070 1.00 0.00 H new ATOM 0 HE2 LYS A 52 23.493 -16.161 -18.399 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.250 -14.951 -18.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.804 -16.936 -19.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.089 -15.627 -20.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.293 -16.800 -20.721 1.00 0.00 H new ATOM 271 N LYS A 53 27.331 -10.087 -19.027 1.00 0.00 N ATOM 272 CA LYS A 53 28.513 -9.390 -19.519 1.00 0.00 C ATOM 273 C LYS A 53 29.344 -8.841 -18.356 1.00 0.00 C ATOM 274 O LYS A 53 30.549 -9.074 -18.294 1.00 0.00 O ATOM 275 CB LYS A 53 28.087 -8.250 -20.452 1.00 0.00 C ATOM 276 CG LYS A 53 27.694 -8.812 -21.822 1.00 0.00 C ATOM 277 CD LYS A 53 27.465 -7.652 -22.799 1.00 0.00 C ATOM 278 CE LYS A 53 27.474 -8.169 -24.241 1.00 0.00 C ATOM 279 NZ LYS A 53 26.293 -9.002 -24.515 1.00 0.00 N ATOM 0 H LYS A 53 26.450 -9.733 -19.400 1.00 0.00 H new ATOM 0 HA LYS A 53 29.131 -10.097 -20.072 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.247 -7.708 -20.017 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.903 -7.536 -20.563 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.479 -9.469 -22.197 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.789 -9.414 -21.735 1.00 0.00 H new ATOM 0 HD2 LYS A 53 26.512 -7.168 -22.584 1.00 0.00 H new ATOM 0 HD3 LYS A 53 28.242 -6.899 -22.670 1.00 0.00 H new ATOM 0 HE2 LYS A 53 27.496 -7.326 -24.932 1.00 0.00 H new ATOM 0 HE3 LYS A 53 28.380 -8.749 -24.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 26.351 -9.380 -25.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 26.259 -9.790 -23.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 25.432 -8.426 -24.420 1.00 0.00 H new ATOM 293 N LEU A 54 28.703 -8.106 -17.443 1.00 0.00 N ATOM 294 CA LEU A 54 29.396 -7.493 -16.315 1.00 0.00 C ATOM 295 C LEU A 54 29.999 -8.560 -15.395 1.00 0.00 C ATOM 296 O LEU A 54 31.109 -8.384 -14.897 1.00 0.00 O ATOM 297 CB LEU A 54 28.416 -6.607 -15.540 1.00 0.00 C ATOM 298 CG LEU A 54 27.985 -5.406 -16.398 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.845 -4.670 -15.692 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.164 -4.447 -16.595 1.00 0.00 C ATOM 0 H LEU A 54 27.700 -7.923 -17.467 1.00 0.00 H new ATOM 0 HA LEU A 54 30.215 -6.882 -16.693 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.540 -7.189 -15.251 1.00 0.00 H new ATOM 0 HB3 LEU A 54 28.883 -6.256 -14.620 1.00 0.00 H new ATOM 0 HG LEU A 54 27.652 -5.763 -17.373 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.534 -3.817 -16.295 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.001 -5.347 -15.560 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.186 -4.321 -14.717 1.00 0.00 H new ATOM 0 HD21 LEU A 54 28.847 -3.601 -17.204 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.507 -4.088 -15.625 1.00 0.00 H new ATOM 0 HD23 LEU A 54 29.978 -4.970 -17.097 1.00 0.00 H new ATOM 312 N VAL A 55 29.272 -9.657 -15.169 1.00 0.00 N ATOM 313 CA VAL A 55 29.740 -10.732 -14.305 1.00 0.00 C ATOM 314 C VAL A 55 30.991 -11.368 -14.904 1.00 0.00 C ATOM 315 O VAL A 55 31.941 -11.643 -14.187 1.00 0.00 O ATOM 316 CB VAL A 55 28.617 -11.768 -14.120 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.192 -13.085 -13.585 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.590 -11.232 -13.120 1.00 0.00 C ATOM 0 H VAL A 55 28.352 -9.820 -15.578 1.00 0.00 H new ATOM 0 HA VAL A 55 30.002 -10.334 -13.325 1.00 0.00 H new ATOM 0 HB VAL A 55 28.143 -11.948 -15.085 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.387 -13.809 -13.459 1.00 0.00 H new ATOM 0 HG12 VAL A 55 29.924 -13.476 -14.292 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.674 -12.908 -12.624 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.794 -11.965 -12.988 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.077 -11.048 -12.162 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.167 -10.301 -13.497 1.00 0.00 H new ATOM 328 N GLU A 56 30.990 -11.600 -16.217 1.00 0.00 N ATOM 329 CA GLU A 56 32.132 -12.199 -16.890 1.00 0.00 C ATOM 330 C GLU A 56 33.313 -11.221 -16.889 1.00 0.00 C ATOM 331 O GLU A 56 34.451 -11.616 -16.641 1.00 0.00 O ATOM 332 CB GLU A 56 31.725 -12.567 -18.324 1.00 0.00 C ATOM 333 CG GLU A 56 32.803 -13.442 -18.975 1.00 0.00 C ATOM 334 CD GLU A 56 32.851 -14.823 -18.331 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.937 -15.621 -18.632 1.00 0.00 O ATOM 336 OE2 GLU A 56 33.799 -15.055 -17.550 1.00 0.00 O ATOM 0 H GLU A 56 30.207 -11.380 -16.833 1.00 0.00 H new ATOM 0 HA GLU A 56 32.444 -13.102 -16.365 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.773 -13.098 -18.314 1.00 0.00 H new ATOM 0 HB3 GLU A 56 31.579 -11.661 -18.912 1.00 0.00 H new ATOM 0 HG2 GLU A 56 32.600 -13.541 -20.041 1.00 0.00 H new ATOM 0 HG3 GLU A 56 33.775 -12.959 -18.879 1.00 0.00 H new ATOM 343 N GLN A 57 33.033 -9.945 -17.175 1.00 0.00 N ATOM 344 CA GLN A 57 34.057 -8.913 -17.253 1.00 0.00 C ATOM 345 C GLN A 57 34.747 -8.703 -15.903 1.00 0.00 C ATOM 346 O GLN A 57 35.960 -8.865 -15.793 1.00 0.00 O ATOM 347 CB GLN A 57 33.400 -7.605 -17.719 1.00 0.00 C ATOM 348 CG GLN A 57 34.460 -6.512 -17.897 1.00 0.00 C ATOM 349 CD GLN A 57 33.804 -5.153 -18.116 1.00 0.00 C ATOM 350 OE1 GLN A 57 33.418 -4.822 -19.232 1.00 0.00 O ATOM 351 NE2 GLN A 57 33.677 -4.366 -17.045 1.00 0.00 N ATOM 0 H GLN A 57 32.089 -9.605 -17.358 1.00 0.00 H new ATOM 0 HA GLN A 57 34.821 -9.228 -17.963 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.875 -7.769 -18.660 1.00 0.00 H new ATOM 0 HB3 GLN A 57 32.656 -7.284 -16.990 1.00 0.00 H new ATOM 0 HG2 GLN A 57 35.101 -6.474 -17.016 1.00 0.00 H new ATOM 0 HG3 GLN A 57 35.099 -6.754 -18.746 1.00 0.00 H new ATOM 0 HE21 GLN A 57 34.013 -4.684 -16.136 1.00 0.00 H new ATOM 0 HE22 GLN A 57 33.244 -3.447 -17.136 1.00 0.00 H new ATOM 360 N ASN A 58 33.973 -8.308 -14.888 1.00 0.00 N ATOM 361 CA ASN A 58 34.518 -7.956 -13.581 1.00 0.00 C ATOM 362 C ASN A 58 34.694 -9.184 -12.686 1.00 0.00 C ATOM 363 O ASN A 58 35.507 -9.156 -11.765 1.00 0.00 O ATOM 364 CB ASN A 58 33.587 -6.935 -12.919 1.00 0.00 C ATOM 365 CG ASN A 58 33.324 -5.754 -13.853 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.118 -4.820 -13.920 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.208 -5.799 -14.580 1.00 0.00 N ATOM 0 H ASN A 58 32.958 -8.225 -14.952 1.00 0.00 H new ATOM 0 HA ASN A 58 35.509 -7.524 -13.720 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.644 -7.413 -12.656 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.033 -6.578 -11.991 1.00 0.00 H new ATOM 0 HD21 ASN A 58 31.987 -5.038 -15.223 1.00 0.00 H new ATOM 0 HD22 ASN A 58 31.575 -6.594 -14.494 1.00 0.00 H new ATOM 374 N GLY A 59 33.935 -10.254 -12.944 1.00 0.00 N ATOM 375 CA GLY A 59 34.008 -11.463 -12.135 1.00 0.00 C ATOM 376 C GLY A 59 33.021 -11.370 -10.972 1.00 0.00 C ATOM 377 O GLY A 59 32.506 -10.291 -10.673 1.00 0.00 O ATOM 0 H GLY A 59 33.263 -10.302 -13.710 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.781 -12.335 -12.748 1.00 0.00 H new ATOM 0 HA3 GLY A 59 35.021 -11.596 -11.754 1.00 0.00 H new ATOM 381 N THR A 60 32.761 -12.505 -10.310 1.00 0.00 N ATOM 382 CA THR A 60 31.850 -12.550 -9.171 1.00 0.00 C ATOM 383 C THR A 60 32.598 -12.104 -7.910 1.00 0.00 C ATOM 384 O THR A 60 32.730 -12.866 -6.954 1.00 0.00 O ATOM 385 CB THR A 60 31.294 -13.975 -9.020 1.00 0.00 C ATOM 386 OG1 THR A 60 32.355 -14.909 -9.026 1.00 0.00 O ATOM 387 CG2 THR A 60 30.345 -14.285 -10.180 1.00 0.00 C ATOM 0 H THR A 60 33.174 -13.406 -10.550 1.00 0.00 H new ATOM 0 HA THR A 60 31.010 -11.873 -9.328 1.00 0.00 H new ATOM 0 HB THR A 60 30.754 -14.045 -8.076 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.994 -15.815 -8.928 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.953 -15.296 -10.069 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.519 -13.573 -10.175 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.886 -14.207 -11.123 1.00 0.00 H new ATOM 395 N ASP A 61 33.092 -10.859 -7.927 1.00 0.00 N ATOM 396 CA ASP A 61 33.857 -10.301 -6.823 1.00 0.00 C ATOM 397 C ASP A 61 32.904 -9.749 -5.746 1.00 0.00 C ATOM 398 O ASP A 61 31.941 -10.417 -5.372 1.00 0.00 O ATOM 399 CB ASP A 61 34.786 -9.214 -7.389 1.00 0.00 C ATOM 400 CG ASP A 61 35.879 -8.841 -6.395 1.00 0.00 C ATOM 401 OD1 ASP A 61 36.785 -9.680 -6.204 1.00 0.00 O ATOM 402 OD2 ASP A 61 35.784 -7.722 -5.847 1.00 0.00 O ATOM 0 H ASP A 61 32.968 -10.217 -8.710 1.00 0.00 H new ATOM 0 HA ASP A 61 34.465 -11.067 -6.342 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.240 -9.568 -8.315 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.202 -8.328 -7.638 1.00 0.00 H new ATOM 407 N ASP A 62 33.174 -8.532 -5.251 1.00 0.00 N ATOM 408 CA ASP A 62 32.358 -7.900 -4.216 1.00 0.00 C ATOM 409 C ASP A 62 30.956 -7.560 -4.723 1.00 0.00 C ATOM 410 O ASP A 62 30.110 -7.174 -3.925 1.00 0.00 O ATOM 411 CB ASP A 62 33.060 -6.621 -3.732 1.00 0.00 C ATOM 412 CG ASP A 62 33.330 -6.674 -2.235 1.00 0.00 C ATOM 413 OD1 ASP A 62 34.189 -7.486 -1.836 1.00 0.00 O ATOM 414 OD2 ASP A 62 32.664 -5.893 -1.516 1.00 0.00 O ATOM 0 H ASP A 62 33.963 -7.964 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 62 32.247 -8.606 -3.393 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.000 -6.493 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 62 32.441 -5.754 -3.962 1.00 0.00 H new ATOM 419 N TRP A 63 30.723 -7.686 -6.046 1.00 0.00 N ATOM 420 CA TRP A 63 29.433 -7.370 -6.682 1.00 0.00 C ATOM 421 C TRP A 63 29.151 -5.859 -6.658 1.00 0.00 C ATOM 422 O TRP A 63 28.235 -5.398 -7.338 1.00 0.00 O ATOM 423 CB TRP A 63 28.283 -8.162 -6.033 1.00 0.00 C ATOM 424 CG TRP A 63 28.285 -9.620 -6.359 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.805 -10.600 -5.600 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.750 -10.287 -7.538 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.650 -11.824 -6.204 1.00 0.00 N ATOM 428 CE2 TRP A 63 27.998 -11.691 -7.417 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.081 -9.853 -8.704 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.606 -12.606 -8.397 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.686 -10.769 -9.694 1.00 0.00 C ATOM 432 CH2 TRP A 63 26.950 -12.142 -9.544 1.00 0.00 C ATOM 0 H TRP A 63 31.431 -8.012 -6.704 1.00 0.00 H new ATOM 0 HA TRP A 63 29.498 -7.675 -7.726 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.340 -8.043 -4.951 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.334 -7.731 -6.352 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.281 -10.446 -4.643 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.971 -12.709 -5.812 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.870 -8.802 -8.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.807 -13.660 -8.272 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.175 -10.415 -10.578 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.647 -12.838 -10.312 1.00 0.00 H new ATOM 443 N LYS A 64 29.935 -5.087 -5.896 1.00 0.00 N ATOM 444 CA LYS A 64 29.768 -3.645 -5.830 1.00 0.00 C ATOM 445 C LYS A 64 30.065 -3.050 -7.202 1.00 0.00 C ATOM 446 O LYS A 64 29.345 -2.174 -7.667 1.00 0.00 O ATOM 447 CB LYS A 64 30.710 -3.073 -4.757 1.00 0.00 C ATOM 448 CG LYS A 64 29.902 -2.333 -3.679 1.00 0.00 C ATOM 449 CD LYS A 64 30.672 -2.344 -2.350 1.00 0.00 C ATOM 450 CE LYS A 64 30.105 -3.426 -1.417 1.00 0.00 C ATOM 451 NZ LYS A 64 30.262 -4.778 -1.988 1.00 0.00 N ATOM 0 H LYS A 64 30.693 -5.447 -5.316 1.00 0.00 H new ATOM 0 HA LYS A 64 28.745 -3.390 -5.555 1.00 0.00 H new ATOM 0 HB2 LYS A 64 31.285 -3.879 -4.301 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.425 -2.391 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 64 29.715 -1.306 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.930 -2.809 -3.550 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.730 -2.531 -2.536 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.600 -1.367 -1.872 1.00 0.00 H new ATOM 0 HE2 LYS A 64 30.612 -3.377 -0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 64 29.049 -3.230 -1.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 29.883 -5.482 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 29.743 -4.837 -2.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 31.270 -4.969 -2.157 1.00 0.00 H new ATOM 465 N VAL A 65 31.127 -3.545 -7.849 1.00 0.00 N ATOM 466 CA VAL A 65 31.515 -3.089 -9.176 1.00 0.00 C ATOM 467 C VAL A 65 30.331 -3.229 -10.136 1.00 0.00 C ATOM 468 O VAL A 65 30.023 -2.305 -10.885 1.00 0.00 O ATOM 469 CB VAL A 65 32.715 -3.918 -9.663 1.00 0.00 C ATOM 470 CG1 VAL A 65 33.120 -3.466 -11.067 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.899 -3.731 -8.710 1.00 0.00 C ATOM 0 H VAL A 65 31.734 -4.269 -7.464 1.00 0.00 H new ATOM 0 HA VAL A 65 31.804 -2.039 -9.140 1.00 0.00 H new ATOM 0 HB VAL A 65 32.432 -4.970 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.971 -4.056 -11.408 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.283 -3.608 -11.750 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.396 -2.412 -11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.745 -4.321 -9.061 1.00 0.00 H new ATOM 0 HG22 VAL A 65 34.179 -2.678 -8.679 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.617 -4.061 -7.710 1.00 0.00 H new ATOM 481 N ILE A 66 29.668 -4.390 -10.106 1.00 0.00 N ATOM 482 CA ILE A 66 28.523 -4.652 -10.964 1.00 0.00 C ATOM 483 C ILE A 66 27.373 -3.713 -10.584 1.00 0.00 C ATOM 484 O ILE A 66 26.710 -3.154 -11.460 1.00 0.00 O ATOM 485 CB ILE A 66 28.117 -6.131 -10.826 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.250 -7.021 -11.375 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.827 -6.392 -11.615 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.075 -8.463 -10.905 1.00 0.00 C ATOM 0 H ILE A 66 29.913 -5.165 -9.489 1.00 0.00 H new ATOM 0 HA ILE A 66 28.778 -4.464 -12.007 1.00 0.00 H new ATOM 0 HB ILE A 66 27.944 -6.364 -9.775 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.252 -6.985 -12.464 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.215 -6.638 -11.041 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.544 -7.440 -11.514 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.028 -5.761 -11.225 1.00 0.00 H new ATOM 0 HG23 ILE A 66 26.991 -6.160 -12.667 1.00 0.00 H new ATOM 0 HD11 ILE A 66 29.884 -9.076 -11.302 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.096 -8.496 -9.816 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.119 -8.848 -11.261 1.00 0.00 H new ATOM 500 N ALA A 67 27.143 -3.540 -9.276 1.00 0.00 N ATOM 501 CA ALA A 67 26.079 -2.678 -8.781 1.00 0.00 C ATOM 502 C ALA A 67 26.313 -1.224 -9.206 1.00 0.00 C ATOM 503 O ALA A 67 25.357 -0.488 -9.426 1.00 0.00 O ATOM 504 CB ALA A 67 26.005 -2.788 -7.257 1.00 0.00 C ATOM 0 H ALA A 67 27.688 -3.992 -8.542 1.00 0.00 H new ATOM 0 HA ALA A 67 25.131 -3.001 -9.211 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.209 -2.143 -6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.797 -3.821 -6.976 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.956 -2.478 -6.823 1.00 0.00 H new ATOM 510 N ASN A 68 27.581 -0.805 -9.322 1.00 0.00 N ATOM 511 CA ASN A 68 27.901 0.559 -9.729 1.00 0.00 C ATOM 512 C ASN A 68 27.438 0.799 -11.167 1.00 0.00 C ATOM 513 O ASN A 68 27.032 1.909 -11.506 1.00 0.00 O ATOM 514 CB ASN A 68 29.413 0.813 -9.610 1.00 0.00 C ATOM 515 CG ASN A 68 29.894 0.762 -8.160 1.00 0.00 C ATOM 516 OD1 ASN A 68 30.901 0.125 -7.862 1.00 0.00 O ATOM 517 ND2 ASN A 68 29.181 1.438 -7.257 1.00 0.00 N ATOM 0 H ASN A 68 28.394 -1.393 -9.139 1.00 0.00 H new ATOM 0 HA ASN A 68 27.379 1.252 -9.069 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.952 0.069 -10.196 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.651 1.788 -10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 68 29.467 1.438 -6.278 1.00 0.00 H new ATOM 0 HD22 ASN A 68 28.350 1.955 -7.546 1.00 0.00 H new ATOM 524 N TYR A 69 27.503 -0.239 -12.013 1.00 0.00 N ATOM 525 CA TYR A 69 27.106 -0.119 -13.408 1.00 0.00 C ATOM 526 C TYR A 69 25.585 -0.192 -13.541 1.00 0.00 C ATOM 527 O TYR A 69 24.982 0.676 -14.167 1.00 0.00 O ATOM 528 CB TYR A 69 27.766 -1.234 -14.230 1.00 0.00 C ATOM 529 CG TYR A 69 29.270 -1.092 -14.365 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.826 0.087 -14.897 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.115 -2.148 -13.974 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.219 0.210 -15.031 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.507 -2.024 -14.113 1.00 0.00 C ATOM 534 CZ TYR A 69 32.059 -0.846 -14.639 1.00 0.00 C ATOM 535 OH TYR A 69 33.411 -0.727 -14.773 1.00 0.00 O ATOM 0 H TYR A 69 27.828 -1.169 -11.747 1.00 0.00 H new ATOM 0 HA TYR A 69 27.436 0.848 -13.787 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.542 -2.195 -13.766 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.322 -1.249 -15.225 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.181 0.898 -15.202 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.692 -3.055 -13.567 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.644 1.117 -15.435 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.153 -2.836 -13.815 1.00 0.00 H new ATOM 0 HH TYR A 69 33.845 -1.546 -14.454 1.00 0.00 H new ATOM 545 N LEU A 70 24.967 -1.232 -12.964 1.00 0.00 N ATOM 546 CA LEU A 70 23.522 -1.431 -13.065 1.00 0.00 C ATOM 547 C LEU A 70 22.789 -0.524 -12.057 1.00 0.00 C ATOM 548 O LEU A 70 22.986 -0.664 -10.854 1.00 0.00 O ATOM 549 CB LEU A 70 23.201 -2.908 -12.795 1.00 0.00 C ATOM 550 CG LEU A 70 23.857 -3.810 -13.854 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.595 -5.274 -13.496 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.270 -3.517 -15.240 1.00 0.00 C ATOM 0 H LEU A 70 25.451 -1.948 -12.422 1.00 0.00 H new ATOM 0 HA LEU A 70 23.184 -1.166 -14.067 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.556 -3.187 -11.803 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.121 -3.058 -12.801 1.00 0.00 H new ATOM 0 HG LEU A 70 24.929 -3.614 -13.874 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.057 -5.920 -14.243 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.020 -5.491 -12.516 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.521 -5.456 -13.474 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.744 -4.163 -15.980 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.197 -3.706 -15.228 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.452 -2.474 -15.499 1.00 0.00 H new ATOM 564 N PRO A 71 21.936 0.415 -12.539 1.00 0.00 N ATOM 565 CA PRO A 71 21.216 1.332 -11.674 1.00 0.00 C ATOM 566 C PRO A 71 20.136 0.604 -10.869 1.00 0.00 C ATOM 567 O PRO A 71 19.449 -0.269 -11.397 1.00 0.00 O ATOM 568 CB PRO A 71 20.589 2.370 -12.607 1.00 0.00 C ATOM 569 CG PRO A 71 20.710 1.811 -14.029 1.00 0.00 C ATOM 570 CD PRO A 71 21.658 0.614 -13.949 1.00 0.00 C ATOM 0 HA PRO A 71 21.881 1.793 -10.944 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.545 2.544 -12.347 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.103 3.328 -12.522 1.00 0.00 H new ATOM 0 HG2 PRO A 71 19.735 1.508 -14.410 1.00 0.00 H new ATOM 0 HG3 PRO A 71 21.098 2.568 -14.711 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.202 -0.274 -14.386 1.00 0.00 H new ATOM 0 HD3 PRO A 71 22.576 0.806 -14.504 1.00 0.00 H new ATOM 578 N ASN A 72 19.990 0.984 -9.588 1.00 0.00 N ATOM 579 CA ASN A 72 18.983 0.408 -8.692 1.00 0.00 C ATOM 580 C ASN A 72 19.128 -1.113 -8.609 1.00 0.00 C ATOM 581 O ASN A 72 18.133 -1.826 -8.472 1.00 0.00 O ATOM 582 CB ASN A 72 17.578 0.788 -9.177 1.00 0.00 C ATOM 583 CG ASN A 72 17.446 2.294 -9.375 1.00 0.00 C ATOM 584 OD1 ASN A 72 17.238 2.758 -10.494 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.567 3.058 -8.288 1.00 0.00 N ATOM 0 H ASN A 72 20.569 1.700 -9.148 1.00 0.00 H new ATOM 0 HA ASN A 72 19.137 0.813 -7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.365 0.276 -10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 72 16.837 0.448 -8.453 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.487 4.072 -8.366 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.739 2.628 -7.379 1.00 0.00 H new ATOM 592 N ARG A 73 20.369 -1.602 -8.691 1.00 0.00 N ATOM 593 CA ARG A 73 20.662 -3.028 -8.632 1.00 0.00 C ATOM 594 C ARG A 73 21.789 -3.259 -7.630 1.00 0.00 C ATOM 595 O ARG A 73 22.941 -3.428 -8.017 1.00 0.00 O ATOM 596 CB ARG A 73 21.074 -3.507 -10.025 1.00 0.00 C ATOM 597 CG ARG A 73 19.912 -3.344 -11.016 1.00 0.00 C ATOM 598 CD ARG A 73 19.556 -4.698 -11.622 1.00 0.00 C ATOM 599 NE ARG A 73 18.459 -4.563 -12.592 1.00 0.00 N ATOM 600 CZ ARG A 73 17.183 -4.901 -12.335 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.803 -5.263 -11.102 1.00 0.00 N ATOM 602 NH2 ARG A 73 16.285 -4.871 -13.323 1.00 0.00 N ATOM 0 H ARG A 73 21.196 -1.015 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 73 19.783 -3.588 -8.311 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.937 -2.938 -10.371 1.00 0.00 H new ATOM 0 HB3 ARG A 73 21.378 -4.553 -9.981 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.044 -2.924 -10.507 1.00 0.00 H new ATOM 0 HG3 ARG A 73 20.190 -2.644 -11.804 1.00 0.00 H new ATOM 0 HD2 ARG A 73 20.431 -5.123 -12.113 1.00 0.00 H new ATOM 0 HD3 ARG A 73 19.266 -5.390 -10.832 1.00 0.00 H new ATOM 0 HE ARG A 73 18.679 -4.190 -13.516 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.485 -5.285 -10.344 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.832 -5.517 -10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 73 16.569 -4.594 -14.262 1.00 0.00 H new ATOM 0 HH22 ARG A 73 15.315 -5.126 -13.138 1.00 0.00 H new ATOM 616 N THR A 74 21.451 -3.254 -6.339 1.00 0.00 N ATOM 617 CA THR A 74 22.435 -3.426 -5.278 1.00 0.00 C ATOM 618 C THR A 74 23.114 -4.801 -5.377 1.00 0.00 C ATOM 619 O THR A 74 22.645 -5.691 -6.090 1.00 0.00 O ATOM 620 CB THR A 74 21.754 -3.227 -3.911 1.00 0.00 C ATOM 621 OG1 THR A 74 22.725 -3.271 -2.887 1.00 0.00 O ATOM 622 CG2 THR A 74 20.711 -4.320 -3.663 1.00 0.00 C ATOM 0 H THR A 74 20.495 -3.131 -6.005 1.00 0.00 H new ATOM 0 HA THR A 74 23.218 -2.676 -5.388 1.00 0.00 H new ATOM 0 HB THR A 74 21.256 -2.257 -3.911 1.00 0.00 H new ATOM 0 HG1 THR A 74 22.290 -3.142 -2.018 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.242 -4.161 -2.692 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.952 -4.282 -4.444 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.196 -5.296 -3.676 1.00 0.00 H new ATOM 630 N ASP A 75 24.230 -4.951 -4.651 1.00 0.00 N ATOM 631 CA ASP A 75 25.022 -6.176 -4.630 1.00 0.00 C ATOM 632 C ASP A 75 24.132 -7.398 -4.433 1.00 0.00 C ATOM 633 O ASP A 75 24.198 -8.343 -5.211 1.00 0.00 O ATOM 634 CB ASP A 75 26.038 -6.092 -3.482 1.00 0.00 C ATOM 635 CG ASP A 75 26.968 -4.894 -3.630 1.00 0.00 C ATOM 636 OD1 ASP A 75 26.440 -3.764 -3.734 1.00 0.00 O ATOM 637 OD2 ASP A 75 28.192 -5.129 -3.627 1.00 0.00 O ATOM 0 H ASP A 75 24.608 -4.213 -4.057 1.00 0.00 H new ATOM 0 HA ASP A 75 25.537 -6.279 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 75 25.507 -6.024 -2.532 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.628 -7.008 -3.452 1.00 0.00 H new ATOM 642 N VAL A 76 23.310 -7.376 -3.379 1.00 0.00 N ATOM 643 CA VAL A 76 22.434 -8.491 -3.046 1.00 0.00 C ATOM 644 C VAL A 76 21.542 -8.846 -4.237 1.00 0.00 C ATOM 645 O VAL A 76 21.362 -10.020 -4.543 1.00 0.00 O ATOM 646 CB VAL A 76 21.586 -8.120 -1.818 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.638 -9.273 -1.474 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.501 -7.847 -0.619 1.00 0.00 C ATOM 0 H VAL A 76 23.237 -6.586 -2.738 1.00 0.00 H new ATOM 0 HA VAL A 76 23.037 -9.368 -2.810 1.00 0.00 H new ATOM 0 HB VAL A 76 21.006 -7.226 -2.046 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.040 -9.005 -0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 76 19.980 -9.468 -2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.219 -10.168 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 76 21.895 -7.585 0.248 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.086 -8.740 -0.397 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.174 -7.022 -0.855 1.00 0.00 H new ATOM 658 N GLN A 77 20.983 -7.829 -4.900 1.00 0.00 N ATOM 659 CA GLN A 77 20.090 -8.033 -6.031 1.00 0.00 C ATOM 660 C GLN A 77 20.825 -8.749 -7.167 1.00 0.00 C ATOM 661 O GLN A 77 20.321 -9.732 -7.710 1.00 0.00 O ATOM 662 CB GLN A 77 19.559 -6.667 -6.495 1.00 0.00 C ATOM 663 CG GLN A 77 18.412 -6.848 -7.493 1.00 0.00 C ATOM 664 CD GLN A 77 17.114 -7.252 -6.794 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.087 -7.456 -5.585 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.033 -7.367 -7.564 1.00 0.00 N ATOM 0 H GLN A 77 21.139 -6.849 -4.665 1.00 0.00 H new ATOM 0 HA GLN A 77 19.251 -8.662 -5.732 1.00 0.00 H new ATOM 0 HB2 GLN A 77 19.213 -6.093 -5.635 1.00 0.00 H new ATOM 0 HB3 GLN A 77 20.364 -6.095 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.256 -5.919 -8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.683 -7.609 -8.225 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.099 -7.188 -8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 77 15.139 -7.634 -7.152 1.00 0.00 H new ATOM 675 N CYS A 78 22.013 -8.251 -7.526 1.00 0.00 N ATOM 676 CA CYS A 78 22.801 -8.829 -8.609 1.00 0.00 C ATOM 677 C CYS A 78 23.219 -10.257 -8.257 1.00 0.00 C ATOM 678 O CYS A 78 23.035 -11.177 -9.056 1.00 0.00 O ATOM 679 CB CYS A 78 24.037 -7.959 -8.861 1.00 0.00 C ATOM 680 SG CYS A 78 23.514 -6.348 -9.502 1.00 0.00 S ATOM 0 H CYS A 78 22.448 -7.445 -7.077 1.00 0.00 H new ATOM 0 HA CYS A 78 22.196 -8.863 -9.515 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.600 -7.830 -7.937 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.701 -8.448 -9.573 1.00 0.00 H new ATOM 0 HG CYS A 78 23.402 -5.505 -8.519 1.00 0.00 H new ATOM 686 N GLN A 79 23.786 -10.434 -7.059 1.00 0.00 N ATOM 687 CA GLN A 79 24.254 -11.731 -6.599 1.00 0.00 C ATOM 688 C GLN A 79 23.114 -12.746 -6.624 1.00 0.00 C ATOM 689 O GLN A 79 23.256 -13.817 -7.210 1.00 0.00 O ATOM 690 CB GLN A 79 24.828 -11.583 -5.185 1.00 0.00 C ATOM 691 CG GLN A 79 25.536 -12.876 -4.771 1.00 0.00 C ATOM 692 CD GLN A 79 26.050 -12.784 -3.338 1.00 0.00 C ATOM 693 OE1 GLN A 79 25.690 -13.600 -2.495 1.00 0.00 O ATOM 694 NE2 GLN A 79 26.893 -11.789 -3.064 1.00 0.00 N ATOM 0 H GLN A 79 23.930 -9.680 -6.388 1.00 0.00 H new ATOM 0 HA GLN A 79 25.037 -12.096 -7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.529 -10.749 -5.153 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.028 -11.355 -4.481 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.848 -13.716 -4.861 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.368 -13.072 -5.448 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.164 -11.134 -3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.267 -11.682 -2.121 1.00 0.00 H new ATOM 703 N HIS A 80 21.984 -12.410 -5.986 1.00 0.00 N ATOM 704 CA HIS A 80 20.833 -13.299 -5.934 1.00 0.00 C ATOM 705 C HIS A 80 20.369 -13.644 -7.339 1.00 0.00 C ATOM 706 O HIS A 80 20.213 -14.816 -7.662 1.00 0.00 O ATOM 707 CB HIS A 80 19.694 -12.634 -5.154 1.00 0.00 C ATOM 708 CG HIS A 80 19.864 -12.735 -3.662 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.971 -12.156 -2.770 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.804 -13.349 -2.871 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.413 -12.448 -1.532 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.531 -13.176 -1.523 1.00 0.00 N ATOM 0 H HIS A 80 21.850 -11.524 -5.499 1.00 0.00 H new ATOM 0 HA HIS A 80 21.123 -14.219 -5.426 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.633 -11.583 -5.437 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.749 -13.096 -5.438 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.652 -13.899 -3.252 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.911 -12.124 -0.633 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.057 -13.521 -0.720 1.00 0.00 H new ATOM 720 N ARG A 81 20.142 -12.628 -8.176 1.00 0.00 N ATOM 721 CA ARG A 81 19.668 -12.851 -9.529 1.00 0.00 C ATOM 722 C ARG A 81 20.548 -13.875 -10.235 1.00 0.00 C ATOM 723 O ARG A 81 20.039 -14.788 -10.868 1.00 0.00 O ATOM 724 CB ARG A 81 19.655 -11.529 -10.305 1.00 0.00 C ATOM 725 CG ARG A 81 19.235 -11.775 -11.766 1.00 0.00 C ATOM 726 CD ARG A 81 17.834 -12.398 -11.815 1.00 0.00 C ATOM 727 NE ARG A 81 17.305 -12.409 -13.184 1.00 0.00 N ATOM 728 CZ ARG A 81 16.083 -12.877 -13.492 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.282 -13.351 -12.527 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.663 -12.869 -14.762 1.00 0.00 N ATOM 0 H ARG A 81 20.281 -11.647 -7.933 1.00 0.00 H new ATOM 0 HA ARG A 81 18.651 -13.241 -9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 81 18.965 -10.829 -9.834 1.00 0.00 H new ATOM 0 HB3 ARG A 81 20.644 -11.071 -10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.243 -10.835 -12.318 1.00 0.00 H new ATOM 0 HG3 ARG A 81 19.952 -12.436 -12.252 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.873 -13.417 -11.429 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.161 -11.837 -11.167 1.00 0.00 H new ATOM 0 HE ARG A 81 17.891 -12.045 -13.936 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.600 -13.357 -11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.355 -13.706 -12.762 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.270 -12.508 -15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.736 -13.224 -14.995 1.00 0.00 H new ATOM 744 N TRP A 82 21.867 -13.721 -10.139 1.00 0.00 N ATOM 745 CA TRP A 82 22.772 -14.620 -10.820 1.00 0.00 C ATOM 746 C TRP A 82 22.841 -15.982 -10.121 1.00 0.00 C ATOM 747 O TRP A 82 22.352 -16.974 -10.651 1.00 0.00 O ATOM 748 CB TRP A 82 24.163 -13.994 -10.915 1.00 0.00 C ATOM 749 CG TRP A 82 25.119 -14.833 -11.695 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.176 -15.491 -11.199 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.089 -15.162 -13.113 1.00 0.00 C ATOM 752 NE1 TRP A 82 26.805 -16.218 -12.179 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.169 -16.053 -13.396 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.250 -14.811 -14.194 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.395 -16.572 -14.674 1.00 0.00 C ATOM 756 CZ3 TRP A 82 24.475 -15.335 -15.482 1.00 0.00 C ATOM 757 CH2 TRP A 82 25.541 -16.219 -15.719 1.00 0.00 C ATOM 0 H TRP A 82 22.322 -12.985 -9.599 1.00 0.00 H new ATOM 0 HA TRP A 82 22.389 -14.786 -11.827 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.084 -13.012 -11.381 1.00 0.00 H new ATOM 0 HB3 TRP A 82 24.557 -13.840 -9.911 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.491 -15.454 -10.167 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.629 -16.800 -12.030 1.00 0.00 H new ATOM 0 HE3 TRP A 82 23.426 -14.132 -14.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.224 -17.241 -14.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 23.822 -15.055 -16.295 1.00 0.00 H new ATOM 0 HH2 TRP A 82 25.699 -16.624 -16.708 1.00 0.00 H new ATOM 768 N GLN A 83 23.471 -16.028 -8.945 1.00 0.00 N ATOM 769 CA GLN A 83 23.713 -17.277 -8.227 1.00 0.00 C ATOM 770 C GLN A 83 22.423 -18.054 -7.944 1.00 0.00 C ATOM 771 O GLN A 83 22.417 -19.280 -8.040 1.00 0.00 O ATOM 772 CB GLN A 83 24.427 -16.965 -6.904 1.00 0.00 C ATOM 773 CG GLN A 83 25.857 -16.471 -7.169 1.00 0.00 C ATOM 774 CD GLN A 83 26.731 -17.577 -7.761 1.00 0.00 C ATOM 775 OE1 GLN A 83 27.303 -17.411 -8.833 1.00 0.00 O ATOM 776 NE2 GLN A 83 26.833 -18.706 -7.059 1.00 0.00 N ATOM 0 H GLN A 83 23.826 -15.201 -8.466 1.00 0.00 H new ATOM 0 HA GLN A 83 24.334 -17.908 -8.862 1.00 0.00 H new ATOM 0 HB2 GLN A 83 23.870 -16.207 -6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 83 24.454 -17.858 -6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 83 25.829 -15.623 -7.853 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.299 -16.116 -6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 83 26.340 -18.801 -6.171 1.00 0.00 H new ATOM 0 HE22 GLN A 83 27.405 -19.475 -7.410 1.00 0.00 H new ATOM 785 N LYS A 84 21.345 -17.360 -7.571 1.00 0.00 N ATOM 786 CA LYS A 84 20.110 -18.025 -7.170 1.00 0.00 C ATOM 787 C LYS A 84 19.196 -18.346 -8.363 1.00 0.00 C ATOM 788 O LYS A 84 18.113 -18.893 -8.152 1.00 0.00 O ATOM 789 CB LYS A 84 19.379 -17.138 -6.149 1.00 0.00 C ATOM 790 CG LYS A 84 18.610 -18.011 -5.154 1.00 0.00 C ATOM 791 CD LYS A 84 17.868 -17.116 -4.155 1.00 0.00 C ATOM 792 CE LYS A 84 17.143 -17.979 -3.116 1.00 0.00 C ATOM 793 NZ LYS A 84 16.065 -18.774 -3.736 1.00 0.00 N ATOM 0 H LYS A 84 21.305 -16.341 -7.539 1.00 0.00 H new ATOM 0 HA LYS A 84 20.370 -18.983 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.097 -16.513 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 84 18.692 -16.467 -6.664 1.00 0.00 H new ATOM 0 HG2 LYS A 84 17.901 -18.647 -5.684 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.298 -18.671 -4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 84 18.573 -16.449 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 84 17.151 -16.486 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 84 17.857 -18.646 -2.632 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.725 -17.340 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.477 -19.201 -2.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.477 -18.157 -4.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.481 -19.526 -4.322 1.00 0.00 H new ATOM 807 N VAL A 85 19.602 -18.021 -9.609 1.00 0.00 N ATOM 808 CA VAL A 85 18.755 -18.306 -10.774 1.00 0.00 C ATOM 809 C VAL A 85 19.602 -18.792 -11.955 1.00 0.00 C ATOM 810 O VAL A 85 19.482 -19.946 -12.362 1.00 0.00 O ATOM 811 CB VAL A 85 17.934 -17.058 -11.167 1.00 0.00 C ATOM 812 CG1 VAL A 85 16.794 -17.474 -12.100 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.340 -16.384 -9.921 1.00 0.00 C ATOM 0 H VAL A 85 20.491 -17.571 -9.826 1.00 0.00 H new ATOM 0 HA VAL A 85 18.060 -19.102 -10.505 1.00 0.00 H new ATOM 0 HB VAL A 85 18.595 -16.352 -11.669 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.213 -16.595 -12.379 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.208 -17.935 -12.997 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.148 -18.189 -11.589 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.766 -15.507 -10.220 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.687 -17.087 -9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.146 -16.079 -9.253 1.00 0.00 H new ATOM 823 N LEU A 86 20.446 -17.915 -12.514 1.00 0.00 N ATOM 824 CA LEU A 86 21.267 -18.267 -13.668 1.00 0.00 C ATOM 825 C LEU A 86 22.272 -19.355 -13.289 1.00 0.00 C ATOM 826 O LEU A 86 22.712 -19.435 -12.144 1.00 0.00 O ATOM 827 CB LEU A 86 22.023 -17.029 -14.181 1.00 0.00 C ATOM 828 CG LEU A 86 21.140 -16.114 -15.063 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.412 -16.925 -16.140 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.131 -15.352 -14.204 1.00 0.00 C ATOM 0 H LEU A 86 20.574 -16.959 -12.183 1.00 0.00 H new ATOM 0 HA LEU A 86 20.612 -18.640 -14.456 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.396 -16.458 -13.331 1.00 0.00 H new ATOM 0 HB3 LEU A 86 22.892 -17.351 -14.755 1.00 0.00 H new ATOM 0 HG LEU A 86 21.792 -15.395 -15.559 1.00 0.00 H new ATOM 0 HD11 LEU A 86 19.799 -16.258 -16.746 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.143 -17.423 -16.777 1.00 0.00 H new ATOM 0 HD13 LEU A 86 19.776 -17.672 -15.665 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.519 -14.714 -14.841 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.491 -16.061 -13.679 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.663 -14.737 -13.478 1.00 0.00 H new