USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 753 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 101 ASN : amide:sc= 1.37 K(o=1.3,f=-11!) USER MOD Set 1.2: A 104 ASN : amide:sc= -0.0422 K(o=1.3,f=-1.8!) USER MOD Set 2.1: A 34 SER OG : rot -67:sc= 1.27 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 HIS : no HE2:sc= -0.179 K(o=1,f=0.49) USER MOD Set 3.2: A 81 TYR OH : rot 175:sc= 1.19 USER MOD Single : A 14 CYS SG : rot -137:sc= -6.2! USER MOD Single : A 22 MET CE :methyl -134:sc= -0.943 (180deg=-3.05!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= 1.17 (180deg=-0.274) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -173:sc= 0 (180deg=-0.106) USER MOD Single : A 38 TYR OH : rot 166:sc= 0.897 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.801 USER MOD Single : A 40 SER OG : rot 180:sc= -1.26 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.0613 X(o=-0.061,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00605) USER MOD Single : A 66 SER OG : rot 180:sc= 0.101 USER MOD Single : A 73 ASN : amide:sc= -0.0527 K(o=-0.053,f=-1.5!) USER MOD Single : A 75 LYS NZ :NH3+ 149:sc= 1.18 (180deg=1.13) USER MOD Single : A 76 CYS SG : rot 50:sc= -3.96! USER MOD Single : A 80 HIS : no HE2:sc= 0.59 K(o=0.59,f=-4.3!) USER MOD Single : A 82 GLN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0.02 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 94 TYR OH : rot 180:sc=-0.00639 USER MOD Single : A 100 TYR OH : rot -137:sc= 1.26 USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -150:sc= 0.452 (180deg=0.0196) USER MOD Single : A 109 LYS NZ :NH3+ 162:sc= -0.0458 (180deg=-0.289) USER MOD Single : A 113 ASN : amide:sc= 1.21 K(o=1.2,f=-0.0036) USER MOD ----------------------------------------------------------------- ATOM 97 N GLU A 7 -6.485 14.491 3.814 1.00 0.00 N ATOM 98 CA GLU A 7 -6.420 13.415 4.805 1.00 0.00 C ATOM 99 C GLU A 7 -5.559 12.266 4.311 1.00 0.00 C ATOM 100 O GLU A 7 -5.270 11.338 5.061 1.00 0.00 O ATOM 101 CB GLU A 7 -7.820 12.904 5.145 1.00 0.00 C ATOM 102 CG GLU A 7 -8.924 13.733 4.529 1.00 0.00 C ATOM 103 CD GLU A 7 -10.078 13.986 5.482 1.00 0.00 C ATOM 104 OE1 GLU A 7 -9.861 14.656 6.515 1.00 0.00 O ATOM 105 OE2 GLU A 7 -11.204 13.540 5.194 1.00 0.00 O ATOM 0 HA GLU A 7 -5.966 13.827 5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.916 11.873 4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.943 12.895 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.514 14.689 4.202 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.299 13.226 3.640 1.00 0.00 H new ATOM 112 N PHE A 8 -5.106 12.362 3.069 1.00 0.00 N ATOM 113 CA PHE A 8 -4.296 11.335 2.466 1.00 0.00 C ATOM 114 C PHE A 8 -3.026 12.023 2.083 1.00 0.00 C ATOM 115 O PHE A 8 -2.850 12.440 0.939 1.00 0.00 O ATOM 116 CB PHE A 8 -4.927 10.730 1.206 1.00 0.00 C ATOM 117 CG PHE A 8 -6.429 10.729 1.150 1.00 0.00 C ATOM 118 CD1 PHE A 8 -7.195 10.240 2.191 1.00 0.00 C ATOM 119 CD2 PHE A 8 -7.070 11.214 0.026 1.00 0.00 C ATOM 120 CE1 PHE A 8 -8.572 10.239 2.109 1.00 0.00 C ATOM 121 CE2 PHE A 8 -8.445 11.216 -0.063 1.00 0.00 C ATOM 122 CZ PHE A 8 -9.197 10.728 0.981 1.00 0.00 C ATOM 0 H PHE A 8 -5.294 13.157 2.458 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.165 10.509 3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -4.552 11.275 0.340 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.580 9.701 1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.711 9.855 3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -6.484 11.598 -0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.161 9.855 2.929 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.931 11.599 -0.948 1.00 0.00 H new ATOM 0 HZ PHE A 8 -10.275 10.728 0.917 1.00 0.00 H new ATOM 132 N ALA A 9 -2.166 12.206 3.044 1.00 0.00 N ATOM 133 CA ALA A 9 -0.962 12.909 2.801 1.00 0.00 C ATOM 134 C ALA A 9 0.126 12.448 3.736 1.00 0.00 C ATOM 135 O ALA A 9 0.107 11.324 4.242 1.00 0.00 O ATOM 136 CB ALA A 9 -1.231 14.404 2.931 1.00 0.00 C ATOM 0 H ALA A 9 -2.286 11.873 4.001 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.610 12.704 1.790 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.310 14.957 2.746 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.986 14.702 2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.590 14.623 3.937 1.00 0.00 H new ATOM 142 N LEU A 10 1.055 13.340 3.958 1.00 0.00 N ATOM 143 CA LEU A 10 2.228 13.078 4.774 1.00 0.00 C ATOM 144 C LEU A 10 1.877 12.616 6.184 1.00 0.00 C ATOM 145 O LEU A 10 1.442 13.407 7.019 1.00 0.00 O ATOM 146 CB LEU A 10 3.086 14.330 4.826 1.00 0.00 C ATOM 147 CG LEU A 10 3.886 14.628 3.550 1.00 0.00 C ATOM 148 CD1 LEU A 10 3.142 15.628 2.677 1.00 0.00 C ATOM 149 CD2 LEU A 10 5.274 15.145 3.902 1.00 0.00 C ATOM 0 H LEU A 10 1.025 14.285 3.575 1.00 0.00 H new ATOM 0 HA LEU A 10 2.779 12.260 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.443 15.183 5.040 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.783 14.239 5.659 1.00 0.00 H new ATOM 0 HG LEU A 10 3.999 13.702 2.986 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.723 15.828 1.777 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.172 15.217 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.998 16.557 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 10 5.828 15.351 2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.184 16.061 4.486 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.805 14.393 4.486 1.00 0.00 H new ATOM 161 N GLY A 11 2.057 11.319 6.430 1.00 0.00 N ATOM 162 CA GLY A 11 1.785 10.755 7.736 1.00 0.00 C ATOM 163 C GLY A 11 0.313 10.747 8.055 1.00 0.00 C ATOM 164 O GLY A 11 -0.077 10.689 9.218 1.00 0.00 O ATOM 0 H GLY A 11 2.389 10.647 5.739 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.170 9.736 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.317 11.328 8.496 1.00 0.00 H new ATOM 168 N GLY A 12 -0.497 10.808 7.016 1.00 0.00 N ATOM 169 CA GLY A 12 -1.924 10.813 7.198 1.00 0.00 C ATOM 170 C GLY A 12 -2.453 9.430 7.461 1.00 0.00 C ATOM 171 O GLY A 12 -1.935 8.445 6.929 1.00 0.00 O ATOM 0 H GLY A 12 -0.188 10.854 6.045 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.183 11.467 8.031 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.403 11.224 6.309 1.00 0.00 H new ATOM 175 N ARG A 13 -3.466 9.348 8.301 1.00 0.00 N ATOM 176 CA ARG A 13 -4.071 8.076 8.616 1.00 0.00 C ATOM 177 C ARG A 13 -5.212 7.842 7.646 1.00 0.00 C ATOM 178 O ARG A 13 -6.099 8.684 7.497 1.00 0.00 O ATOM 179 CB ARG A 13 -4.554 8.038 10.071 1.00 0.00 C ATOM 180 CG ARG A 13 -5.691 8.999 10.374 1.00 0.00 C ATOM 181 CD ARG A 13 -5.870 9.191 11.867 1.00 0.00 C ATOM 182 NE ARG A 13 -4.845 10.061 12.435 1.00 0.00 N ATOM 183 CZ ARG A 13 -5.098 11.236 13.005 1.00 0.00 C ATOM 184 NH1 ARG A 13 -6.346 11.676 13.117 1.00 0.00 N ATOM 185 NH2 ARG A 13 -4.100 11.970 13.472 1.00 0.00 N ATOM 0 H ARG A 13 -3.885 10.148 8.775 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.335 7.279 8.513 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.877 7.024 10.309 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.714 8.267 10.727 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.491 9.962 9.903 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.616 8.619 9.941 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.855 9.616 12.062 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.838 8.221 12.363 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.875 9.749 12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.119 11.112 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.531 12.578 13.555 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.140 11.634 13.394 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.291 12.871 13.910 1.00 0.00 H new ATOM 199 N CYS A 14 -5.163 6.729 6.952 1.00 0.00 N ATOM 200 CA CYS A 14 -6.182 6.408 5.975 1.00 0.00 C ATOM 201 C CYS A 14 -6.507 4.934 5.972 1.00 0.00 C ATOM 202 O CYS A 14 -5.892 4.132 6.679 1.00 0.00 O ATOM 203 CB CYS A 14 -5.710 6.813 4.578 1.00 0.00 C ATOM 204 SG CYS A 14 -5.580 8.590 4.328 1.00 0.00 S ATOM 0 H CYS A 14 -4.428 6.028 7.045 1.00 0.00 H new ATOM 0 HA CYS A 14 -7.081 6.961 6.247 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -4.737 6.359 4.390 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.401 6.404 3.841 1.00 0.00 H new ATOM 0 HG CYS A 14 -6.061 8.900 3.161 1.00 0.00 H new ATOM 210 N LEU A 15 -7.490 4.601 5.171 1.00 0.00 N ATOM 211 CA LEU A 15 -7.913 3.239 4.997 1.00 0.00 C ATOM 212 C LEU A 15 -7.562 2.856 3.583 1.00 0.00 C ATOM 213 O LEU A 15 -7.573 3.705 2.699 1.00 0.00 O ATOM 214 CB LEU A 15 -9.413 3.102 5.226 1.00 0.00 C ATOM 215 CG LEU A 15 -9.881 3.376 6.652 1.00 0.00 C ATOM 216 CD1 LEU A 15 -11.250 4.033 6.640 1.00 0.00 C ATOM 217 CD2 LEU A 15 -9.915 2.081 7.448 1.00 0.00 C ATOM 0 H LEU A 15 -8.021 5.275 4.619 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.419 2.587 5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.931 3.786 4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.716 2.092 4.949 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.178 4.058 7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.572 4.223 7.664 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.196 4.976 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.966 3.373 6.151 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.250 2.287 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.603 1.381 6.974 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.916 1.645 7.477 1.00 0.00 H new ATOM 229 N ALA A 16 -7.242 1.614 3.355 1.00 0.00 N ATOM 230 CA ALA A 16 -6.892 1.193 2.019 1.00 0.00 C ATOM 231 C ALA A 16 -7.475 -0.170 1.744 1.00 0.00 C ATOM 232 O ALA A 16 -7.624 -0.982 2.658 1.00 0.00 O ATOM 233 CB ALA A 16 -5.384 1.225 1.816 1.00 0.00 C ATOM 0 H ALA A 16 -7.215 0.880 4.063 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.319 1.891 1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.146 0.904 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.018 2.240 1.970 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.906 0.554 2.530 1.00 0.00 H new ATOM 239 N PHE A 17 -7.824 -0.407 0.497 1.00 0.00 N ATOM 240 CA PHE A 17 -8.435 -1.662 0.120 1.00 0.00 C ATOM 241 C PHE A 17 -7.406 -2.713 -0.241 1.00 0.00 C ATOM 242 O PHE A 17 -6.824 -2.696 -1.326 1.00 0.00 O ATOM 243 CB PHE A 17 -9.405 -1.464 -1.048 1.00 0.00 C ATOM 244 CG PHE A 17 -10.781 -1.050 -0.622 1.00 0.00 C ATOM 245 CD1 PHE A 17 -11.632 -1.964 -0.026 1.00 0.00 C ATOM 246 CD2 PHE A 17 -11.223 0.247 -0.819 1.00 0.00 C ATOM 247 CE1 PHE A 17 -12.903 -1.594 0.363 1.00 0.00 C ATOM 248 CE2 PHE A 17 -12.495 0.624 -0.430 1.00 0.00 C ATOM 249 CZ PHE A 17 -13.335 -0.300 0.163 1.00 0.00 C ATOM 0 H PHE A 17 -7.695 0.252 -0.271 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.986 -2.019 0.990 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.000 -0.709 -1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -9.473 -2.393 -1.614 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.298 -2.978 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -10.568 0.971 -1.281 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.559 -2.318 0.824 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.832 1.638 -0.589 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.329 -0.009 0.469 1.00 0.00 H new ATOM 259 N HIS A 18 -7.177 -3.619 0.686 1.00 0.00 N ATOM 260 CA HIS A 18 -6.286 -4.728 0.455 1.00 0.00 C ATOM 261 C HIS A 18 -7.165 -5.855 -0.038 1.00 0.00 C ATOM 262 O HIS A 18 -7.846 -6.520 0.750 1.00 0.00 O ATOM 263 CB HIS A 18 -5.535 -5.133 1.726 1.00 0.00 C ATOM 264 CG HIS A 18 -4.388 -6.052 1.451 1.00 0.00 C ATOM 265 ND1 HIS A 18 -4.352 -7.326 1.961 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.277 -5.841 0.705 1.00 0.00 C ATOM 267 CE1 HIS A 18 -3.234 -7.864 1.507 1.00 0.00 C ATOM 268 NE2 HIS A 18 -2.550 -7.000 0.744 1.00 0.00 N ATOM 0 H HIS A 18 -7.601 -3.605 1.613 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.514 -4.466 -0.269 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.166 -4.237 2.226 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.228 -5.619 2.413 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -5.045 -7.766 2.566 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.016 -4.934 0.181 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.912 -8.872 1.723 1.00 0.00 H new ATOM 276 N GLY A 19 -7.205 -6.023 -1.345 1.00 0.00 N ATOM 277 CA GLY A 19 -8.077 -7.012 -1.918 1.00 0.00 C ATOM 278 C GLY A 19 -9.490 -6.478 -1.899 1.00 0.00 C ATOM 279 O GLY A 19 -9.776 -5.483 -2.564 1.00 0.00 O ATOM 0 H GLY A 19 -6.650 -5.493 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.772 -7.239 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.017 -7.942 -1.353 1.00 0.00 H new ATOM 283 N PRO A 20 -10.397 -7.102 -1.141 1.00 0.00 N ATOM 284 CA PRO A 20 -11.767 -6.651 -1.022 1.00 0.00 C ATOM 285 C PRO A 20 -12.060 -5.877 0.263 1.00 0.00 C ATOM 286 O PRO A 20 -13.186 -5.419 0.457 1.00 0.00 O ATOM 287 CB PRO A 20 -12.538 -7.969 -0.992 1.00 0.00 C ATOM 288 CG PRO A 20 -11.562 -9.011 -0.506 1.00 0.00 C ATOM 289 CD PRO A 20 -10.202 -8.350 -0.405 1.00 0.00 C ATOM 0 HA PRO A 20 -12.025 -5.961 -1.825 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -13.400 -7.902 -0.328 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.917 -8.222 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -11.871 -9.403 0.463 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -11.528 -9.855 -1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.916 -8.169 0.631 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -9.419 -8.964 -0.849 1.00 0.00 H new ATOM 297 N LEU A 21 -11.074 -5.708 1.145 1.00 0.00 N ATOM 298 CA LEU A 21 -11.352 -5.033 2.408 1.00 0.00 C ATOM 299 C LEU A 21 -10.459 -3.839 2.707 1.00 0.00 C ATOM 300 O LEU A 21 -9.356 -3.709 2.195 1.00 0.00 O ATOM 301 CB LEU A 21 -11.263 -6.024 3.562 1.00 0.00 C ATOM 302 CG LEU A 21 -12.515 -6.874 3.763 1.00 0.00 C ATOM 303 CD1 LEU A 21 -12.553 -7.476 5.151 1.00 0.00 C ATOM 304 CD2 LEU A 21 -13.764 -6.046 3.526 1.00 0.00 C ATOM 0 H LEU A 21 -10.111 -6.017 1.015 1.00 0.00 H new ATOM 0 HA LEU A 21 -12.362 -4.637 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -10.413 -6.685 3.392 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.060 -5.475 4.481 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.482 -7.687 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.456 -8.076 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.677 -8.108 5.297 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.553 -6.678 5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.647 -6.668 3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.786 -5.212 4.228 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.758 -5.662 2.506 1.00 0.00 H new ATOM 316 N MET A 22 -10.983 -2.984 3.580 1.00 0.00 N ATOM 317 CA MET A 22 -10.310 -1.773 4.028 1.00 0.00 C ATOM 318 C MET A 22 -9.509 -2.027 5.304 1.00 0.00 C ATOM 319 O MET A 22 -9.974 -2.713 6.222 1.00 0.00 O ATOM 320 CB MET A 22 -11.349 -0.671 4.291 1.00 0.00 C ATOM 321 CG MET A 22 -11.275 0.485 3.302 1.00 0.00 C ATOM 322 SD MET A 22 -12.491 1.778 3.638 1.00 0.00 S ATOM 323 CE MET A 22 -14.018 0.885 3.352 1.00 0.00 C ATOM 0 H MET A 22 -11.902 -3.117 4.002 1.00 0.00 H new ATOM 0 HA MET A 22 -9.621 -1.458 3.244 1.00 0.00 H new ATOM 0 HB2 MET A 22 -12.347 -1.108 4.253 1.00 0.00 H new ATOM 0 HB3 MET A 22 -11.209 -0.284 5.300 1.00 0.00 H new ATOM 0 HG2 MET A 22 -10.275 0.918 3.331 1.00 0.00 H new ATOM 0 HG3 MET A 22 -11.428 0.103 2.293 1.00 0.00 H new ATOM 0 HE1 MET A 22 -14.685 1.492 2.739 1.00 0.00 H new ATOM 0 HE2 MET A 22 -13.801 -0.050 2.836 1.00 0.00 H new ATOM 0 HE3 MET A 22 -14.498 0.670 4.307 1.00 0.00 H new ATOM 333 N TYR A 23 -8.304 -1.478 5.358 1.00 0.00 N ATOM 334 CA TYR A 23 -7.438 -1.621 6.524 1.00 0.00 C ATOM 335 C TYR A 23 -6.873 -0.267 6.924 1.00 0.00 C ATOM 336 O TYR A 23 -6.856 0.657 6.115 1.00 0.00 O ATOM 337 CB TYR A 23 -6.292 -2.598 6.237 1.00 0.00 C ATOM 338 CG TYR A 23 -6.723 -4.046 6.195 1.00 0.00 C ATOM 339 CD1 TYR A 23 -6.731 -4.820 7.346 1.00 0.00 C ATOM 340 CD2 TYR A 23 -7.116 -4.641 5.003 1.00 0.00 C ATOM 341 CE1 TYR A 23 -7.114 -6.145 7.314 1.00 0.00 C ATOM 342 CE2 TYR A 23 -7.504 -5.963 4.960 1.00 0.00 C ATOM 343 CZ TYR A 23 -7.502 -6.712 6.118 1.00 0.00 C ATOM 344 OH TYR A 23 -7.882 -8.033 6.079 1.00 0.00 O ATOM 0 H TYR A 23 -7.900 -0.925 4.602 1.00 0.00 H new ATOM 0 HA TYR A 23 -8.035 -2.019 7.345 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.834 -2.337 5.283 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.525 -2.479 7.002 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.432 -4.377 8.285 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.118 -4.058 4.094 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.110 -6.734 8.219 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.808 -6.410 4.025 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.127 -8.276 5.162 1.00 0.00 H new ATOM 354 N GLU A 24 -6.431 -0.152 8.171 1.00 0.00 N ATOM 355 CA GLU A 24 -5.855 1.093 8.664 1.00 0.00 C ATOM 356 C GLU A 24 -4.385 1.147 8.281 1.00 0.00 C ATOM 357 O GLU A 24 -3.688 0.136 8.358 1.00 0.00 O ATOM 358 CB GLU A 24 -6.009 1.201 10.189 1.00 0.00 C ATOM 359 CG GLU A 24 -5.546 2.536 10.759 1.00 0.00 C ATOM 360 CD GLU A 24 -5.477 2.538 12.275 1.00 0.00 C ATOM 361 OE1 GLU A 24 -4.363 2.396 12.824 1.00 0.00 O ATOM 362 OE2 GLU A 24 -6.534 2.691 12.927 1.00 0.00 O ATOM 0 H GLU A 24 -6.460 -0.905 8.858 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.384 1.932 8.213 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.056 1.048 10.451 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.442 0.399 10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.563 2.776 10.355 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.226 3.321 10.430 1.00 0.00 H new ATOM 369 N ALA A 25 -3.915 2.304 7.849 1.00 0.00 N ATOM 370 CA ALA A 25 -2.526 2.442 7.460 1.00 0.00 C ATOM 371 C ALA A 25 -2.038 3.877 7.587 1.00 0.00 C ATOM 372 O ALA A 25 -2.826 4.822 7.599 1.00 0.00 O ATOM 373 CB ALA A 25 -2.331 1.942 6.042 1.00 0.00 C ATOM 0 H ALA A 25 -4.471 3.154 7.760 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.930 1.836 8.142 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.284 2.050 5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.616 0.892 5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.953 2.525 5.362 1.00 0.00 H new ATOM 379 N LYS A 26 -0.724 4.017 7.687 1.00 0.00 N ATOM 380 CA LYS A 26 -0.083 5.318 7.802 1.00 0.00 C ATOM 381 C LYS A 26 0.691 5.614 6.526 1.00 0.00 C ATOM 382 O LYS A 26 1.577 4.849 6.145 1.00 0.00 O ATOM 383 CB LYS A 26 0.860 5.324 9.011 1.00 0.00 C ATOM 384 CG LYS A 26 1.563 6.649 9.254 1.00 0.00 C ATOM 385 CD LYS A 26 2.510 6.551 10.438 1.00 0.00 C ATOM 386 CE LYS A 26 3.165 7.888 10.750 1.00 0.00 C ATOM 387 NZ LYS A 26 3.884 7.867 12.055 1.00 0.00 N ATOM 0 H LYS A 26 -0.073 3.232 7.691 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.840 6.089 7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.290 5.061 9.902 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.613 4.548 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.118 6.940 8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.824 7.429 9.438 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.962 6.201 11.313 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.280 5.809 10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.865 8.143 9.955 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.405 8.669 10.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.316 8.797 12.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.212 7.649 12.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.627 7.140 12.030 1.00 0.00 H new ATOM 401 N ILE A 27 0.329 6.698 5.854 1.00 0.00 N ATOM 402 CA ILE A 27 0.991 7.088 4.612 1.00 0.00 C ATOM 403 C ILE A 27 2.368 7.646 4.881 1.00 0.00 C ATOM 404 O ILE A 27 2.535 8.617 5.614 1.00 0.00 O ATOM 405 CB ILE A 27 0.150 8.105 3.813 1.00 0.00 C ATOM 406 CG1 ILE A 27 -1.261 7.557 3.569 1.00 0.00 C ATOM 407 CG2 ILE A 27 0.827 8.416 2.485 1.00 0.00 C ATOM 408 CD1 ILE A 27 -2.342 8.616 3.507 1.00 0.00 C ATOM 0 H ILE A 27 -0.420 7.325 6.147 1.00 0.00 H new ATOM 0 HA ILE A 27 1.093 6.187 4.008 1.00 0.00 H new ATOM 0 HB ILE A 27 0.071 9.024 4.394 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.263 6.998 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.506 6.851 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.225 9.135 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.815 8.837 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.926 7.499 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.307 8.141 3.332 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.372 9.161 4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.126 9.309 2.694 1.00 0.00 H new ATOM 420 N LEU A 28 3.351 7.013 4.266 1.00 0.00 N ATOM 421 CA LEU A 28 4.734 7.385 4.434 1.00 0.00 C ATOM 422 C LEU A 28 5.289 8.115 3.205 1.00 0.00 C ATOM 423 O LEU A 28 6.210 8.934 3.318 1.00 0.00 O ATOM 424 CB LEU A 28 5.552 6.134 4.722 1.00 0.00 C ATOM 425 CG LEU A 28 6.867 6.411 5.415 1.00 0.00 C ATOM 426 CD1 LEU A 28 6.650 6.637 6.903 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.855 5.281 5.167 1.00 0.00 C ATOM 0 H LEU A 28 3.206 6.225 3.635 1.00 0.00 H new ATOM 0 HA LEU A 28 4.803 8.079 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.961 5.459 5.341 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.749 5.616 3.783 1.00 0.00 H new ATOM 0 HG LEU A 28 7.293 7.323 4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.608 6.835 7.384 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.988 7.490 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.199 5.748 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.794 5.501 5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.444 4.348 5.552 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.035 5.184 4.096 1.00 0.00 H new ATOM 439 N LYS A 29 4.757 7.801 2.030 1.00 0.00 N ATOM 440 CA LYS A 29 5.204 8.453 0.802 1.00 0.00 C ATOM 441 C LYS A 29 4.019 8.719 -0.125 1.00 0.00 C ATOM 442 O LYS A 29 3.352 7.788 -0.554 1.00 0.00 O ATOM 443 CB LYS A 29 6.233 7.587 0.052 1.00 0.00 C ATOM 444 CG LYS A 29 7.315 6.975 0.936 1.00 0.00 C ATOM 445 CD LYS A 29 8.605 6.705 0.168 1.00 0.00 C ATOM 446 CE LYS A 29 8.596 5.343 -0.503 1.00 0.00 C ATOM 447 NZ LYS A 29 9.965 4.894 -0.881 1.00 0.00 N ATOM 0 H LYS A 29 4.022 7.106 1.900 1.00 0.00 H new ATOM 0 HA LYS A 29 5.671 9.396 1.088 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.706 6.784 -0.462 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.711 8.197 -0.715 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.524 7.647 1.768 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.947 6.042 1.364 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.746 7.479 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.452 6.767 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.148 4.611 0.169 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.969 5.383 -1.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.046 4.863 -1.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.667 5.560 -0.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.139 3.946 -0.491 1.00 0.00 H new ATOM 461 N ILE A 30 3.757 9.978 -0.429 1.00 0.00 N ATOM 462 CA ILE A 30 2.662 10.333 -1.331 1.00 0.00 C ATOM 463 C ILE A 30 3.165 10.226 -2.757 1.00 0.00 C ATOM 464 O ILE A 30 4.328 10.475 -3.005 1.00 0.00 O ATOM 465 CB ILE A 30 2.123 11.764 -1.049 1.00 0.00 C ATOM 466 CG1 ILE A 30 1.281 11.785 0.227 1.00 0.00 C ATOM 467 CG2 ILE A 30 1.295 12.282 -2.212 1.00 0.00 C ATOM 468 CD1 ILE A 30 2.063 11.536 1.491 1.00 0.00 C ATOM 0 H ILE A 30 4.283 10.774 -0.068 1.00 0.00 H new ATOM 0 HA ILE A 30 1.831 9.646 -1.170 1.00 0.00 H new ATOM 0 HB ILE A 30 2.987 12.416 -0.919 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.785 12.753 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.498 11.031 0.144 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.933 13.284 -1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.911 12.315 -3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.446 11.619 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 30 1.390 11.568 2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.537 10.556 1.439 1.00 0.00 H new ATOM 0 HD13 ILE A 30 2.829 12.304 1.602 1.00 0.00 H new ATOM 480 N TRP A 31 2.316 9.850 -3.692 1.00 0.00 N ATOM 481 CA TRP A 31 2.756 9.701 -5.055 1.00 0.00 C ATOM 482 C TRP A 31 2.017 10.633 -5.991 1.00 0.00 C ATOM 483 O TRP A 31 0.786 10.610 -6.047 1.00 0.00 O ATOM 484 CB TRP A 31 2.526 8.287 -5.519 1.00 0.00 C ATOM 485 CG TRP A 31 2.825 8.133 -6.958 1.00 0.00 C ATOM 486 CD1 TRP A 31 1.945 8.116 -7.989 1.00 0.00 C ATOM 487 CD2 TRP A 31 4.108 8.020 -7.519 1.00 0.00 C ATOM 488 NE1 TRP A 31 2.619 7.960 -9.171 1.00 0.00 N ATOM 489 CE2 TRP A 31 3.948 7.897 -8.904 1.00 0.00 C ATOM 490 CE3 TRP A 31 5.378 8.002 -6.975 1.00 0.00 C ATOM 491 CZ2 TRP A 31 5.018 7.750 -9.755 1.00 0.00 C ATOM 492 CZ3 TRP A 31 6.445 7.863 -7.820 1.00 0.00 C ATOM 493 CH2 TRP A 31 6.257 7.738 -9.200 1.00 0.00 C ATOM 0 H TRP A 31 1.330 9.645 -3.532 1.00 0.00 H new ATOM 0 HA TRP A 31 3.818 9.947 -5.077 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.152 7.607 -4.942 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.490 8.005 -5.329 1.00 0.00 H new ATOM 0 HD1 TRP A 31 0.874 8.211 -7.893 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.194 7.901 -10.096 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.525 8.095 -5.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.879 7.648 -10.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.446 7.850 -7.416 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.120 7.629 -9.841 1.00 0.00 H new ATOM 504 N ASP A 32 2.770 11.401 -6.763 1.00 0.00 N ATOM 505 CA ASP A 32 2.183 12.321 -7.721 1.00 0.00 C ATOM 506 C ASP A 32 2.545 11.895 -9.143 1.00 0.00 C ATOM 507 O ASP A 32 3.691 12.043 -9.578 1.00 0.00 O ATOM 508 CB ASP A 32 2.650 13.749 -7.458 1.00 0.00 C ATOM 509 CG ASP A 32 1.566 14.757 -7.758 1.00 0.00 C ATOM 510 OD1 ASP A 32 1.162 14.867 -8.933 1.00 0.00 O ATOM 511 OD2 ASP A 32 1.091 15.427 -6.816 1.00 0.00 O ATOM 0 H ASP A 32 3.790 11.404 -6.744 1.00 0.00 H new ATOM 0 HA ASP A 32 1.099 12.294 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.958 13.845 -6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.526 13.964 -8.070 1.00 0.00 H new ATOM 516 N PRO A 33 1.555 11.381 -9.889 1.00 0.00 N ATOM 517 CA PRO A 33 1.748 10.890 -11.266 1.00 0.00 C ATOM 518 C PRO A 33 1.978 12.007 -12.282 1.00 0.00 C ATOM 519 O PRO A 33 2.152 11.744 -13.472 1.00 0.00 O ATOM 520 CB PRO A 33 0.433 10.179 -11.571 1.00 0.00 C ATOM 521 CG PRO A 33 -0.577 10.846 -10.701 1.00 0.00 C ATOM 522 CD PRO A 33 0.154 11.252 -9.448 1.00 0.00 C ATOM 0 HA PRO A 33 2.635 10.260 -11.338 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.169 10.272 -12.625 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.500 9.113 -11.352 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.008 11.714 -11.199 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.400 10.170 -10.470 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.228 12.191 -9.048 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.048 10.504 -8.662 1.00 0.00 H new ATOM 530 N SER A 34 1.991 13.243 -11.810 1.00 0.00 N ATOM 531 CA SER A 34 2.186 14.389 -12.690 1.00 0.00 C ATOM 532 C SER A 34 3.666 14.590 -12.989 1.00 0.00 C ATOM 533 O SER A 34 4.041 15.122 -14.034 1.00 0.00 O ATOM 534 CB SER A 34 1.599 15.656 -12.065 1.00 0.00 C ATOM 535 OG SER A 34 2.296 16.023 -10.882 1.00 0.00 O ATOM 0 H SER A 34 1.869 13.480 -10.826 1.00 0.00 H new ATOM 0 HA SER A 34 1.665 14.189 -13.626 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.646 16.473 -12.785 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.546 15.495 -11.833 1.00 0.00 H new ATOM 0 HG SER A 34 2.143 15.347 -10.189 1.00 0.00 H new ATOM 541 N SER A 35 4.501 14.149 -12.063 1.00 0.00 N ATOM 542 CA SER A 35 5.938 14.276 -12.210 1.00 0.00 C ATOM 543 C SER A 35 6.580 12.898 -12.175 1.00 0.00 C ATOM 544 O SER A 35 7.668 12.695 -12.706 1.00 0.00 O ATOM 545 CB SER A 35 6.499 15.152 -11.094 1.00 0.00 C ATOM 546 OG SER A 35 5.705 16.313 -10.904 1.00 0.00 O ATOM 0 H SER A 35 4.205 13.698 -11.198 1.00 0.00 H new ATOM 0 HA SER A 35 6.163 14.745 -13.168 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.541 14.581 -10.166 1.00 0.00 H new ATOM 0 HB3 SER A 35 7.521 15.443 -11.336 1.00 0.00 H new ATOM 0 HG SER A 35 6.086 16.855 -10.182 1.00 0.00 H new ATOM 552 N LYS A 36 5.895 11.977 -11.496 1.00 0.00 N ATOM 553 CA LYS A 36 6.321 10.595 -11.356 1.00 0.00 C ATOM 554 C LYS A 36 7.366 10.505 -10.276 1.00 0.00 C ATOM 555 O LYS A 36 8.286 9.684 -10.280 1.00 0.00 O ATOM 556 CB LYS A 36 6.783 9.976 -12.658 1.00 0.00 C ATOM 557 CG LYS A 36 6.649 8.478 -12.625 1.00 0.00 C ATOM 558 CD LYS A 36 6.743 7.870 -14.013 1.00 0.00 C ATOM 559 CE LYS A 36 5.727 8.490 -14.966 1.00 0.00 C ATOM 560 NZ LYS A 36 5.667 7.771 -16.265 1.00 0.00 N ATOM 0 H LYS A 36 5.015 12.180 -11.022 1.00 0.00 H new ATOM 0 HA LYS A 36 5.454 10.003 -11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.196 10.378 -13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.822 10.247 -12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.430 8.058 -11.991 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.693 8.209 -12.175 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.749 8.015 -14.407 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.577 6.794 -13.952 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.741 8.480 -14.501 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.986 9.534 -15.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.964 8.226 -16.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.600 7.802 -16.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 5.395 6.781 -16.101 1.00 0.00 H new ATOM 574 N MET A 37 7.185 11.412 -9.366 1.00 0.00 N ATOM 575 CA MET A 37 7.948 11.540 -8.194 1.00 0.00 C ATOM 576 C MET A 37 6.978 11.235 -7.077 1.00 0.00 C ATOM 577 O MET A 37 5.786 11.036 -7.327 1.00 0.00 O ATOM 578 CB MET A 37 8.484 12.966 -8.070 1.00 0.00 C ATOM 579 CG MET A 37 9.421 13.377 -9.192 1.00 0.00 C ATOM 580 SD MET A 37 9.531 15.165 -9.376 1.00 0.00 S ATOM 581 CE MET A 37 11.004 15.307 -10.381 1.00 0.00 C ATOM 0 H MET A 37 6.453 12.118 -9.440 1.00 0.00 H new ATOM 0 HA MET A 37 8.813 10.877 -8.180 1.00 0.00 H new ATOM 0 HB2 MET A 37 7.642 13.658 -8.043 1.00 0.00 H new ATOM 0 HB3 MET A 37 9.008 13.064 -7.119 1.00 0.00 H new ATOM 0 HG2 MET A 37 10.415 12.973 -8.998 1.00 0.00 H new ATOM 0 HG3 MET A 37 9.076 12.939 -10.128 1.00 0.00 H new ATOM 0 HE1 MET A 37 11.278 16.358 -10.479 1.00 0.00 H new ATOM 0 HE2 MET A 37 11.821 14.762 -9.908 1.00 0.00 H new ATOM 0 HE3 MET A 37 10.812 14.888 -11.369 1.00 0.00 H new ATOM 591 N TYR A 38 7.447 11.238 -5.876 1.00 0.00 N ATOM 592 CA TYR A 38 6.621 10.947 -4.746 1.00 0.00 C ATOM 593 C TYR A 38 7.126 11.802 -3.605 1.00 0.00 C ATOM 594 O TYR A 38 8.286 12.222 -3.625 1.00 0.00 O ATOM 595 CB TYR A 38 6.682 9.457 -4.394 1.00 0.00 C ATOM 596 CG TYR A 38 8.066 8.938 -4.105 1.00 0.00 C ATOM 597 CD1 TYR A 38 8.590 9.014 -2.828 1.00 0.00 C ATOM 598 CD2 TYR A 38 8.841 8.369 -5.104 1.00 0.00 C ATOM 599 CE1 TYR A 38 9.850 8.543 -2.547 1.00 0.00 C ATOM 600 CE2 TYR A 38 10.105 7.894 -4.834 1.00 0.00 C ATOM 601 CZ TYR A 38 10.607 7.984 -3.553 1.00 0.00 C ATOM 602 OH TYR A 38 11.867 7.512 -3.281 1.00 0.00 O ATOM 0 H TYR A 38 8.419 11.443 -5.645 1.00 0.00 H new ATOM 0 HA TYR A 38 5.576 11.171 -4.959 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.051 9.276 -3.524 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.258 8.884 -5.219 1.00 0.00 H new ATOM 0 HD1 TYR A 38 7.999 9.451 -2.037 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.448 8.297 -6.107 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.244 8.611 -1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.699 7.454 -5.621 1.00 0.00 H new ATOM 0 HH TYR A 38 12.176 6.955 -4.026 1.00 0.00 H new ATOM 612 N THR A 39 6.302 12.087 -2.632 1.00 0.00 N ATOM 613 CA THR A 39 6.752 12.896 -1.535 1.00 0.00 C ATOM 614 C THR A 39 6.677 12.110 -0.235 1.00 0.00 C ATOM 615 O THR A 39 5.602 11.808 0.282 1.00 0.00 O ATOM 616 CB THR A 39 5.980 14.220 -1.448 1.00 0.00 C ATOM 617 OG1 THR A 39 4.601 14.000 -1.119 1.00 0.00 O ATOM 618 CG2 THR A 39 6.065 14.980 -2.765 1.00 0.00 C ATOM 0 H THR A 39 5.332 11.776 -2.577 1.00 0.00 H new ATOM 0 HA THR A 39 7.795 13.158 -1.712 1.00 0.00 H new ATOM 0 HB THR A 39 6.440 14.811 -0.656 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.135 14.861 -1.069 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.511 15.915 -2.682 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.109 15.195 -2.994 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.636 14.374 -3.563 1.00 0.00 H new ATOM 626 N SER A 40 7.842 11.750 0.263 1.00 0.00 N ATOM 627 CA SER A 40 7.954 10.975 1.481 1.00 0.00 C ATOM 628 C SER A 40 8.118 11.878 2.689 1.00 0.00 C ATOM 629 O SER A 40 8.130 13.104 2.575 1.00 0.00 O ATOM 630 CB SER A 40 9.144 10.018 1.378 1.00 0.00 C ATOM 631 OG SER A 40 9.105 9.034 2.400 1.00 0.00 O ATOM 0 H SER A 40 8.737 11.986 -0.165 1.00 0.00 H new ATOM 0 HA SER A 40 7.036 10.401 1.608 1.00 0.00 H new ATOM 0 HB2 SER A 40 9.139 9.532 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.074 10.582 1.449 1.00 0.00 H new ATOM 0 HG SER A 40 9.876 8.436 2.308 1.00 0.00 H new ATOM 637 N ILE A 41 8.196 11.261 3.849 1.00 0.00 N ATOM 638 CA ILE A 41 8.388 11.992 5.093 1.00 0.00 C ATOM 639 C ILE A 41 9.620 11.470 5.820 1.00 0.00 C ATOM 640 O ILE A 41 9.788 10.257 5.972 1.00 0.00 O ATOM 641 CB ILE A 41 7.179 11.854 6.044 1.00 0.00 C ATOM 642 CG1 ILE A 41 5.902 11.580 5.265 1.00 0.00 C ATOM 643 CG2 ILE A 41 7.017 13.099 6.904 1.00 0.00 C ATOM 644 CD1 ILE A 41 5.008 10.574 5.947 1.00 0.00 C ATOM 0 H ILE A 41 8.129 10.249 3.961 1.00 0.00 H new ATOM 0 HA ILE A 41 8.507 13.042 4.825 1.00 0.00 H new ATOM 0 HB ILE A 41 7.370 11.005 6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.356 12.514 5.131 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.159 11.216 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.159 12.976 7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.916 13.248 7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.860 13.966 6.263 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.112 10.418 5.346 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.541 9.629 6.057 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.725 10.947 6.931 1.00 0.00 H new ATOM 846 N ILE A 56 12.106 16.537 2.145 1.00 0.00 N ATOM 847 CA ILE A 56 11.709 15.594 1.117 1.00 0.00 C ATOM 848 C ILE A 56 11.028 16.291 -0.042 1.00 0.00 C ATOM 849 O ILE A 56 9.831 16.590 -0.002 1.00 0.00 O ATOM 850 CB ILE A 56 10.786 14.489 1.654 1.00 0.00 C ATOM 851 CG1 ILE A 56 11.456 13.750 2.813 1.00 0.00 C ATOM 852 CG2 ILE A 56 10.439 13.520 0.533 1.00 0.00 C ATOM 853 CD1 ILE A 56 12.718 13.012 2.425 1.00 0.00 C ATOM 0 HA ILE A 56 12.632 15.129 0.769 1.00 0.00 H new ATOM 0 HB ILE A 56 9.867 14.943 2.026 1.00 0.00 H new ATOM 0 HG12 ILE A 56 11.694 14.467 3.599 1.00 0.00 H new ATOM 0 HG13 ILE A 56 10.746 13.038 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.784 12.738 0.918 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.931 14.057 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.353 13.070 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.133 12.514 3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 56 12.485 12.269 1.662 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.447 13.720 2.031 1.00 0.00 H new ATOM 865 N LYS A 57 11.819 16.595 -1.046 1.00 0.00 N ATOM 866 CA LYS A 57 11.313 17.202 -2.258 1.00 0.00 C ATOM 867 C LYS A 57 10.753 16.082 -3.126 1.00 0.00 C ATOM 868 O LYS A 57 11.096 14.921 -2.900 1.00 0.00 O ATOM 869 CB LYS A 57 12.427 17.952 -3.001 1.00 0.00 C ATOM 870 CG LYS A 57 12.593 19.403 -2.568 1.00 0.00 C ATOM 871 CD LYS A 57 13.175 19.507 -1.168 1.00 0.00 C ATOM 872 CE LYS A 57 12.288 20.340 -0.254 1.00 0.00 C ATOM 873 NZ LYS A 57 12.628 21.788 -0.299 1.00 0.00 N ATOM 0 H LYS A 57 12.826 16.430 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 57 10.538 17.931 -2.021 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.370 17.427 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.219 17.924 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.244 19.921 -3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.626 19.905 -2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 57 13.295 18.508 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 57 14.168 19.953 -1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.246 20.205 -0.542 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.385 19.979 0.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.997 22.313 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.614 21.922 0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.511 22.142 -1.270 1.00 0.00 H new ATOM 887 N PRO A 58 9.867 16.386 -4.090 1.00 0.00 N ATOM 888 CA PRO A 58 9.305 15.366 -4.976 1.00 0.00 C ATOM 889 C PRO A 58 10.413 14.564 -5.654 1.00 0.00 C ATOM 890 O PRO A 58 11.087 15.056 -6.561 1.00 0.00 O ATOM 891 CB PRO A 58 8.484 16.168 -5.999 1.00 0.00 C ATOM 892 CG PRO A 58 8.899 17.592 -5.820 1.00 0.00 C ATOM 893 CD PRO A 58 9.345 17.722 -4.392 1.00 0.00 C ATOM 0 HA PRO A 58 8.697 14.634 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 58 8.683 15.827 -7.015 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.415 16.047 -5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 58 9.706 17.851 -6.505 1.00 0.00 H new ATOM 0 HG3 PRO A 58 8.071 18.268 -6.032 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.109 18.490 -4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.519 17.992 -3.734 1.00 0.00 H new ATOM 901 N GLN A 59 10.610 13.335 -5.190 1.00 0.00 N ATOM 902 CA GLN A 59 11.657 12.474 -5.722 1.00 0.00 C ATOM 903 C GLN A 59 11.092 11.428 -6.666 1.00 0.00 C ATOM 904 O GLN A 59 10.095 10.783 -6.372 1.00 0.00 O ATOM 905 CB GLN A 59 12.425 11.800 -4.584 1.00 0.00 C ATOM 906 CG GLN A 59 13.427 12.720 -3.904 1.00 0.00 C ATOM 907 CD GLN A 59 14.093 12.076 -2.709 1.00 0.00 C ATOM 908 OE1 GLN A 59 15.156 11.465 -2.828 1.00 0.00 O ATOM 909 NE2 GLN A 59 13.473 12.207 -1.548 1.00 0.00 N ATOM 0 H GLN A 59 10.056 12.913 -4.445 1.00 0.00 H new ATOM 0 HA GLN A 59 12.344 13.102 -6.290 1.00 0.00 H new ATOM 0 HB2 GLN A 59 11.715 11.436 -3.842 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.950 10.929 -4.976 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.190 13.016 -4.624 1.00 0.00 H new ATOM 0 HG3 GLN A 59 12.920 13.631 -3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.594 12.722 -1.494 1.00 0.00 H new ATOM 0 HE22 GLN A 59 13.874 11.793 -0.706 1.00 0.00 H new ATOM 918 N LYS A 60 11.750 11.285 -7.802 1.00 0.00 N ATOM 919 CA LYS A 60 11.368 10.350 -8.834 1.00 0.00 C ATOM 920 C LYS A 60 11.600 8.936 -8.356 1.00 0.00 C ATOM 921 O LYS A 60 12.497 8.684 -7.550 1.00 0.00 O ATOM 922 CB LYS A 60 12.199 10.626 -10.094 1.00 0.00 C ATOM 923 CG LYS A 60 11.744 9.873 -11.337 1.00 0.00 C ATOM 924 CD LYS A 60 10.786 10.701 -12.184 1.00 0.00 C ATOM 925 CE LYS A 60 11.330 12.097 -12.465 1.00 0.00 C ATOM 926 NZ LYS A 60 12.645 12.068 -13.170 1.00 0.00 N ATOM 0 H LYS A 60 12.581 11.829 -8.034 1.00 0.00 H new ATOM 0 HA LYS A 60 10.310 10.470 -9.066 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.171 11.695 -10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.238 10.368 -9.890 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.614 9.600 -11.935 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.257 8.944 -11.041 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.601 10.188 -13.128 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.827 10.782 -11.672 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.610 12.649 -13.069 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.438 12.637 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.947 13.040 -13.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.354 11.610 -12.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.552 11.533 -14.057 1.00 0.00 H new ATOM 940 N LEU A 61 10.771 8.038 -8.830 1.00 0.00 N ATOM 941 CA LEU A 61 10.878 6.640 -8.460 1.00 0.00 C ATOM 942 C LEU A 61 12.234 6.042 -8.789 1.00 0.00 C ATOM 943 O LEU A 61 12.676 6.066 -9.939 1.00 0.00 O ATOM 944 CB LEU A 61 9.814 5.820 -9.163 1.00 0.00 C ATOM 945 CG LEU A 61 8.485 5.753 -8.439 1.00 0.00 C ATOM 946 CD1 LEU A 61 7.574 4.746 -9.113 1.00 0.00 C ATOM 947 CD2 LEU A 61 8.686 5.418 -6.973 1.00 0.00 C ATOM 0 H LEU A 61 10.010 8.248 -9.476 1.00 0.00 H new ATOM 0 HA LEU A 61 10.742 6.606 -7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.650 6.237 -10.157 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.189 4.806 -9.301 1.00 0.00 H new ATOM 0 HG LEU A 61 8.009 6.732 -8.490 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.622 4.706 -8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.403 5.045 -10.147 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.042 3.762 -9.093 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.718 5.375 -6.474 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.183 4.452 -6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.302 6.186 -6.505 1.00 0.00 H new ATOM 959 N GLY A 62 12.887 5.527 -7.760 1.00 0.00 N ATOM 960 CA GLY A 62 14.166 4.861 -7.935 1.00 0.00 C ATOM 961 C GLY A 62 14.047 3.577 -8.754 1.00 0.00 C ATOM 962 O GLY A 62 13.022 3.325 -9.388 1.00 0.00 O ATOM 0 H GLY A 62 12.553 5.557 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 62 14.862 5.540 -8.428 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.588 4.627 -6.957 1.00 0.00 H new ATOM 966 N GLU A 63 15.075 2.742 -8.711 1.00 0.00 N ATOM 967 CA GLU A 63 15.088 1.504 -9.490 1.00 0.00 C ATOM 968 C GLU A 63 14.423 0.333 -8.755 1.00 0.00 C ATOM 969 O GLU A 63 14.185 -0.717 -9.346 1.00 0.00 O ATOM 970 CB GLU A 63 16.526 1.138 -9.865 1.00 0.00 C ATOM 971 CG GLU A 63 17.380 2.342 -10.239 1.00 0.00 C ATOM 972 CD GLU A 63 18.330 2.056 -11.384 1.00 0.00 C ATOM 973 OE1 GLU A 63 19.507 1.736 -11.119 1.00 0.00 O ATOM 974 OE2 GLU A 63 17.905 2.153 -12.553 1.00 0.00 O ATOM 0 H GLU A 63 15.911 2.895 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 63 14.503 1.688 -10.391 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.991 0.619 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 63 16.509 0.440 -10.702 1.00 0.00 H new ATOM 0 HG2 GLU A 63 16.729 3.172 -10.512 1.00 0.00 H new ATOM 0 HG3 GLU A 63 17.953 2.659 -9.368 1.00 0.00 H new ATOM 981 N ASP A 64 14.111 0.517 -7.479 1.00 0.00 N ATOM 982 CA ASP A 64 13.484 -0.543 -6.682 1.00 0.00 C ATOM 983 C ASP A 64 12.171 -0.027 -6.104 1.00 0.00 C ATOM 984 O ASP A 64 11.692 -0.480 -5.065 1.00 0.00 O ATOM 985 CB ASP A 64 14.439 -0.992 -5.563 1.00 0.00 C ATOM 986 CG ASP A 64 13.888 -2.136 -4.723 1.00 0.00 C ATOM 987 OD1 ASP A 64 13.806 -1.982 -3.484 1.00 0.00 O ATOM 988 OD2 ASP A 64 13.535 -3.188 -5.291 1.00 0.00 O ATOM 0 H ASP A 64 14.279 1.385 -6.970 1.00 0.00 H new ATOM 0 HA ASP A 64 13.274 -1.406 -7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 64 15.387 -1.299 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.651 -0.143 -4.913 1.00 0.00 H new ATOM 993 N GLU A 65 11.578 0.923 -6.801 1.00 0.00 N ATOM 994 CA GLU A 65 10.351 1.539 -6.336 1.00 0.00 C ATOM 995 C GLU A 65 9.249 1.511 -7.389 1.00 0.00 C ATOM 996 O GLU A 65 8.209 2.133 -7.206 1.00 0.00 O ATOM 997 CB GLU A 65 10.674 2.968 -5.958 1.00 0.00 C ATOM 998 CG GLU A 65 11.459 3.099 -4.664 1.00 0.00 C ATOM 999 CD GLU A 65 11.571 4.533 -4.213 1.00 0.00 C ATOM 1000 OE1 GLU A 65 10.825 4.927 -3.299 1.00 0.00 O ATOM 1001 OE2 GLU A 65 12.403 5.276 -4.777 1.00 0.00 O ATOM 0 H GLU A 65 11.925 1.284 -7.689 1.00 0.00 H new ATOM 0 HA GLU A 65 9.973 0.977 -5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 65 11.244 3.427 -6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.744 3.528 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.974 2.511 -3.885 1.00 0.00 H new ATOM 0 HG3 GLU A 65 12.457 2.684 -4.802 1.00 0.00 H new ATOM 1008 N SER A 66 9.502 0.804 -8.482 1.00 0.00 N ATOM 1009 CA SER A 66 8.545 0.678 -9.583 1.00 0.00 C ATOM 1010 C SER A 66 7.122 0.390 -9.086 1.00 0.00 C ATOM 1011 O SER A 66 6.818 -0.705 -8.607 1.00 0.00 O ATOM 1012 CB SER A 66 9.008 -0.421 -10.530 1.00 0.00 C ATOM 1013 OG SER A 66 10.424 -0.527 -10.518 1.00 0.00 O ATOM 0 H SER A 66 10.376 0.300 -8.634 1.00 0.00 H new ATOM 0 HA SER A 66 8.510 1.632 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.564 -1.372 -10.236 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.662 -0.207 -11.541 1.00 0.00 H new ATOM 0 HG SER A 66 10.704 -1.239 -11.131 1.00 0.00 H new ATOM 1019 N ILE A 67 6.273 1.399 -9.203 1.00 0.00 N ATOM 1020 CA ILE A 67 4.880 1.318 -8.775 1.00 0.00 C ATOM 1021 C ILE A 67 4.005 0.726 -9.877 1.00 0.00 C ATOM 1022 O ILE A 67 4.201 1.045 -11.050 1.00 0.00 O ATOM 1023 CB ILE A 67 4.352 2.725 -8.437 1.00 0.00 C ATOM 1024 CG1 ILE A 67 5.130 3.302 -7.268 1.00 0.00 C ATOM 1025 CG2 ILE A 67 2.867 2.711 -8.117 1.00 0.00 C ATOM 1026 CD1 ILE A 67 4.797 4.743 -6.990 1.00 0.00 C ATOM 0 H ILE A 67 6.530 2.303 -9.599 1.00 0.00 H new ATOM 0 HA ILE A 67 4.837 0.676 -7.895 1.00 0.00 H new ATOM 0 HB ILE A 67 4.493 3.352 -9.317 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.926 2.710 -6.376 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.197 3.215 -7.471 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.535 3.723 -7.884 1.00 0.00 H new ATOM 0 HG22 ILE A 67 2.313 2.336 -8.978 1.00 0.00 H new ATOM 0 HG23 ILE A 67 2.686 2.064 -7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.386 5.096 -6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.027 5.346 -7.869 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.736 4.833 -6.756 1.00 0.00 H new ATOM 1038 N PRO A 68 3.050 -0.160 -9.528 1.00 0.00 N ATOM 1039 CA PRO A 68 2.121 -0.749 -10.499 1.00 0.00 C ATOM 1040 C PRO A 68 1.487 0.324 -11.384 1.00 0.00 C ATOM 1041 O PRO A 68 0.928 1.300 -10.886 1.00 0.00 O ATOM 1042 CB PRO A 68 1.071 -1.420 -9.615 1.00 0.00 C ATOM 1043 CG PRO A 68 1.805 -1.769 -8.367 1.00 0.00 C ATOM 1044 CD PRO A 68 2.827 -0.681 -8.165 1.00 0.00 C ATOM 0 HA PRO A 68 2.609 -1.440 -11.187 1.00 0.00 H new ATOM 0 HB2 PRO A 68 0.236 -0.749 -9.411 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.657 -2.307 -10.094 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.124 -1.827 -7.518 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.286 -2.743 -8.457 1.00 0.00 H new ATOM 0 HD2 PRO A 68 2.459 0.095 -7.494 1.00 0.00 H new ATOM 0 HD3 PRO A 68 3.747 -1.070 -7.729 1.00 0.00 H new ATOM 1052 N GLU A 69 1.564 0.128 -12.691 1.00 0.00 N ATOM 1053 CA GLU A 69 1.037 1.091 -13.661 1.00 0.00 C ATOM 1054 C GLU A 69 -0.455 1.362 -13.476 1.00 0.00 C ATOM 1055 O GLU A 69 -0.962 2.397 -13.907 1.00 0.00 O ATOM 1056 CB GLU A 69 1.294 0.608 -15.086 1.00 0.00 C ATOM 1057 CG GLU A 69 2.762 0.382 -15.402 1.00 0.00 C ATOM 1058 CD GLU A 69 3.059 0.533 -16.878 1.00 0.00 C ATOM 1059 OE1 GLU A 69 3.859 1.424 -17.240 1.00 0.00 O ATOM 1060 OE2 GLU A 69 2.487 -0.230 -17.683 1.00 0.00 O ATOM 0 H GLU A 69 1.990 -0.697 -13.113 1.00 0.00 H new ATOM 0 HA GLU A 69 1.565 2.028 -13.484 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.750 -0.323 -15.248 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.890 1.339 -15.786 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.367 1.091 -14.837 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.053 -0.616 -15.075 1.00 0.00 H new ATOM 1067 N GLU A 70 -1.148 0.450 -12.817 1.00 0.00 N ATOM 1068 CA GLU A 70 -2.582 0.600 -12.593 1.00 0.00 C ATOM 1069 C GLU A 70 -2.868 1.620 -11.491 1.00 0.00 C ATOM 1070 O GLU A 70 -3.985 2.127 -11.382 1.00 0.00 O ATOM 1071 CB GLU A 70 -3.215 -0.753 -12.248 1.00 0.00 C ATOM 1072 CG GLU A 70 -2.534 -1.482 -11.099 1.00 0.00 C ATOM 1073 CD GLU A 70 -3.140 -2.845 -10.832 1.00 0.00 C ATOM 1074 OE1 GLU A 70 -4.319 -2.915 -10.428 1.00 0.00 O ATOM 1075 OE2 GLU A 70 -2.433 -3.852 -11.014 1.00 0.00 O ATOM 0 H GLU A 70 -0.745 -0.402 -12.427 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.028 0.970 -13.516 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.264 -0.597 -11.995 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.192 -1.389 -13.133 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.474 -1.598 -11.325 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.603 -0.875 -10.197 1.00 0.00 H new ATOM 1082 N ILE A 71 -1.850 1.933 -10.691 1.00 0.00 N ATOM 1083 CA ILE A 71 -2.006 2.883 -9.590 1.00 0.00 C ATOM 1084 C ILE A 71 -0.995 4.039 -9.682 1.00 0.00 C ATOM 1085 O ILE A 71 -1.151 5.075 -9.034 1.00 0.00 O ATOM 1086 CB ILE A 71 -1.860 2.167 -8.223 1.00 0.00 C ATOM 1087 CG1 ILE A 71 -0.404 1.779 -7.963 1.00 0.00 C ATOM 1088 CG2 ILE A 71 -2.744 0.929 -8.178 1.00 0.00 C ATOM 1089 CD1 ILE A 71 -0.209 0.888 -6.751 1.00 0.00 C ATOM 0 H ILE A 71 -0.911 1.544 -10.784 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.008 3.304 -9.671 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.177 2.859 -7.443 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.012 1.269 -8.843 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.185 2.687 -7.832 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.631 0.436 -7.212 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.785 1.220 -8.317 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.450 0.243 -8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.850 0.658 -6.635 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.568 1.402 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.769 -0.038 -6.886 1.00 0.00 H new ATOM 1101 N ILE A 72 0.029 3.855 -10.512 1.00 0.00 N ATOM 1102 CA ILE A 72 1.088 4.851 -10.711 1.00 0.00 C ATOM 1103 C ILE A 72 0.552 6.140 -11.318 1.00 0.00 C ATOM 1104 O ILE A 72 1.113 7.211 -11.124 1.00 0.00 O ATOM 1105 CB ILE A 72 2.181 4.263 -11.623 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.529 4.966 -11.425 1.00 0.00 C ATOM 1107 CG2 ILE A 72 1.758 4.285 -13.089 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.797 6.097 -12.399 1.00 0.00 C ATOM 0 H ILE A 72 0.151 3.009 -11.069 1.00 0.00 H new ATOM 0 HA ILE A 72 1.504 5.095 -9.734 1.00 0.00 H new ATOM 0 HB ILE A 72 2.312 3.221 -11.331 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.574 5.360 -10.410 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.326 4.228 -11.516 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.553 3.863 -13.703 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.850 3.695 -13.215 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.568 5.313 -13.398 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.771 6.537 -12.186 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.788 5.710 -13.418 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.024 6.858 -12.294 1.00 0.00 H new ATOM 1120 N ASN A 73 -0.534 6.046 -12.048 1.00 0.00 N ATOM 1121 CA ASN A 73 -1.096 7.225 -12.665 1.00 0.00 C ATOM 1122 C ASN A 73 -2.379 7.622 -11.968 1.00 0.00 C ATOM 1123 O ASN A 73 -3.200 8.344 -12.524 1.00 0.00 O ATOM 1124 CB ASN A 73 -1.335 7.002 -14.160 1.00 0.00 C ATOM 1125 CG ASN A 73 -0.058 7.096 -14.975 1.00 0.00 C ATOM 1126 OD1 ASN A 73 0.904 7.761 -14.586 1.00 0.00 O ATOM 1127 ND2 ASN A 73 -0.037 6.430 -16.120 1.00 0.00 N ATOM 0 H ASN A 73 -1.040 5.179 -12.228 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.380 8.040 -12.561 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -1.786 6.021 -14.310 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.049 7.740 -14.524 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.794 6.458 -16.711 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.852 5.890 -16.411 1.00 0.00 H new ATOM 1134 N GLY A 74 -2.546 7.145 -10.744 1.00 0.00 N ATOM 1135 CA GLY A 74 -3.753 7.480 -10.001 1.00 0.00 C ATOM 1136 C GLY A 74 -3.490 8.038 -8.616 1.00 0.00 C ATOM 1137 O GLY A 74 -4.332 7.878 -7.734 1.00 0.00 O ATOM 0 H GLY A 74 -1.884 6.543 -10.255 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.328 8.209 -10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.371 6.587 -9.910 1.00 0.00 H new ATOM 1141 N LYS A 75 -2.351 8.725 -8.442 1.00 0.00 N ATOM 1142 CA LYS A 75 -1.964 9.296 -7.143 1.00 0.00 C ATOM 1143 C LYS A 75 -1.907 8.190 -6.107 1.00 0.00 C ATOM 1144 O LYS A 75 -2.922 7.768 -5.555 1.00 0.00 O ATOM 1145 CB LYS A 75 -2.918 10.404 -6.703 1.00 0.00 C ATOM 1146 CG LYS A 75 -2.356 11.306 -5.618 1.00 0.00 C ATOM 1147 CD LYS A 75 -1.714 12.544 -6.221 1.00 0.00 C ATOM 1148 CE LYS A 75 -1.625 13.679 -5.216 1.00 0.00 C ATOM 1149 NZ LYS A 75 -1.363 14.981 -5.883 1.00 0.00 N ATOM 0 H LYS A 75 -1.679 8.899 -9.189 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.978 9.750 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.177 11.012 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.842 9.952 -6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.153 11.601 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.619 10.759 -5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.715 12.297 -6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.292 12.869 -7.086 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.555 13.740 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.830 13.470 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -1.804 15.747 -5.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.337 15.142 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.764 14.966 -6.843 1.00 0.00 H new ATOM 1163 N CYS A 76 -0.711 7.757 -5.803 1.00 0.00 N ATOM 1164 CA CYS A 76 -0.543 6.651 -4.890 1.00 0.00 C ATOM 1165 C CYS A 76 -0.083 7.122 -3.527 1.00 0.00 C ATOM 1166 O CYS A 76 0.224 8.294 -3.327 1.00 0.00 O ATOM 1167 CB CYS A 76 0.442 5.637 -5.473 1.00 0.00 C ATOM 1168 SG CYS A 76 -0.030 3.920 -5.196 1.00 0.00 S ATOM 0 H CYS A 76 0.157 8.148 -6.170 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.512 6.169 -4.758 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.535 5.810 -6.545 1.00 0.00 H new ATOM 0 HB3 CYS A 76 1.426 5.808 -5.036 1.00 0.00 H new ATOM 0 HG CYS A 76 -1.268 3.747 -5.554 1.00 0.00 H new ATOM 1174 N PHE A 77 -0.078 6.199 -2.592 1.00 0.00 N ATOM 1175 CA PHE A 77 0.332 6.464 -1.235 1.00 0.00 C ATOM 1176 C PHE A 77 1.052 5.255 -0.687 1.00 0.00 C ATOM 1177 O PHE A 77 0.462 4.188 -0.529 1.00 0.00 O ATOM 1178 CB PHE A 77 -0.881 6.790 -0.362 1.00 0.00 C ATOM 1179 CG PHE A 77 -1.568 8.059 -0.767 1.00 0.00 C ATOM 1180 CD1 PHE A 77 -0.984 9.284 -0.511 1.00 0.00 C ATOM 1181 CD2 PHE A 77 -2.783 8.024 -1.425 1.00 0.00 C ATOM 1182 CE1 PHE A 77 -1.594 10.455 -0.905 1.00 0.00 C ATOM 1183 CE2 PHE A 77 -3.404 9.192 -1.815 1.00 0.00 C ATOM 1184 CZ PHE A 77 -2.808 10.409 -1.557 1.00 0.00 C ATOM 0 H PHE A 77 -0.362 5.233 -2.756 1.00 0.00 H new ATOM 0 HA PHE A 77 1.002 7.324 -1.227 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.592 5.965 -0.414 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.563 6.871 0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.036 9.325 0.005 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.250 7.073 -1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -1.123 11.406 -0.704 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.357 9.154 -2.322 1.00 0.00 H new ATOM 0 HZ PHE A 77 -3.291 11.324 -1.865 1.00 0.00 H new ATOM 1194 N PHE A 78 2.333 5.418 -0.429 1.00 0.00 N ATOM 1195 CA PHE A 78 3.126 4.339 0.117 1.00 0.00 C ATOM 1196 C PHE A 78 2.885 4.309 1.605 1.00 0.00 C ATOM 1197 O PHE A 78 3.456 5.093 2.365 1.00 0.00 O ATOM 1198 CB PHE A 78 4.617 4.536 -0.184 1.00 0.00 C ATOM 1199 CG PHE A 78 5.476 3.368 0.208 1.00 0.00 C ATOM 1200 CD1 PHE A 78 5.529 2.239 -0.591 1.00 0.00 C ATOM 1201 CD2 PHE A 78 6.239 3.403 1.365 1.00 0.00 C ATOM 1202 CE1 PHE A 78 6.323 1.165 -0.246 1.00 0.00 C ATOM 1203 CE2 PHE A 78 7.034 2.330 1.716 1.00 0.00 C ATOM 1204 CZ PHE A 78 7.076 1.211 0.909 1.00 0.00 C ATOM 0 H PHE A 78 2.845 6.285 -0.588 1.00 0.00 H new ATOM 0 HA PHE A 78 2.834 3.393 -0.340 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.741 4.724 -1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.969 5.425 0.339 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.941 2.198 -1.496 1.00 0.00 H new ATOM 0 HD2 PHE A 78 6.211 4.278 1.998 1.00 0.00 H new ATOM 0 HE1 PHE A 78 6.355 0.290 -0.879 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.622 2.366 2.621 1.00 0.00 H new ATOM 0 HZ PHE A 78 7.698 0.372 1.182 1.00 0.00 H new ATOM 1214 N ILE A 79 2.002 3.426 2.002 1.00 0.00 N ATOM 1215 CA ILE A 79 1.629 3.292 3.386 1.00 0.00 C ATOM 1216 C ILE A 79 2.260 2.088 4.009 1.00 0.00 C ATOM 1217 O ILE A 79 2.826 1.221 3.347 1.00 0.00 O ATOM 1218 CB ILE A 79 0.114 3.131 3.554 1.00 0.00 C ATOM 1219 CG1 ILE A 79 -0.290 1.710 3.155 1.00 0.00 C ATOM 1220 CG2 ILE A 79 -0.643 4.178 2.757 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -1.736 1.576 2.766 1.00 0.00 C ATOM 0 H ILE A 79 1.523 2.781 1.374 1.00 0.00 H new ATOM 0 HA ILE A 79 1.972 4.205 3.872 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.150 3.287 4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.332 1.386 2.321 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.083 1.037 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.715 4.037 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.360 5.173 3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.399 4.077 1.700 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.946 0.541 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.367 1.867 3.606 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.945 2.222 1.914 1.00 0.00 H new ATOM 1233 N HIS A 80 2.130 2.069 5.293 1.00 0.00 N ATOM 1234 CA HIS A 80 2.592 0.996 6.099 1.00 0.00 C ATOM 1235 C HIS A 80 1.376 0.486 6.861 1.00 0.00 C ATOM 1236 O HIS A 80 0.877 1.153 7.773 1.00 0.00 O ATOM 1237 CB HIS A 80 3.712 1.525 6.985 1.00 0.00 C ATOM 1238 CG HIS A 80 3.875 0.835 8.289 1.00 0.00 C ATOM 1239 ND1 HIS A 80 4.606 -0.314 8.448 1.00 0.00 N ATOM 1240 CD2 HIS A 80 3.399 1.161 9.503 1.00 0.00 C ATOM 1241 CE1 HIS A 80 4.578 -0.672 9.720 1.00 0.00 C ATOM 1242 NE2 HIS A 80 3.850 0.211 10.384 1.00 0.00 N ATOM 0 H HIS A 80 1.687 2.820 5.822 1.00 0.00 H new ATOM 0 HA HIS A 80 3.014 0.161 5.540 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.651 1.453 6.436 1.00 0.00 H new ATOM 0 HB3 HIS A 80 3.533 2.584 7.174 1.00 0.00 H new ATOM 0 HD1 HIS A 80 5.093 -0.813 7.704 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.778 2.012 9.741 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.066 -1.537 10.145 1.00 0.00 H new ATOM 1251 N TYR A 81 0.852 -0.653 6.406 1.00 0.00 N ATOM 1252 CA TYR A 81 -0.345 -1.256 6.986 1.00 0.00 C ATOM 1253 C TYR A 81 -0.262 -1.367 8.503 1.00 0.00 C ATOM 1254 O TYR A 81 0.588 -2.078 9.045 1.00 0.00 O ATOM 1255 CB TYR A 81 -0.598 -2.636 6.375 1.00 0.00 C ATOM 1256 CG TYR A 81 -1.177 -2.593 4.978 1.00 0.00 C ATOM 1257 CD1 TYR A 81 -2.377 -1.941 4.720 1.00 0.00 C ATOM 1258 CD2 TYR A 81 -0.527 -3.208 3.920 1.00 0.00 C ATOM 1259 CE1 TYR A 81 -2.911 -1.907 3.444 1.00 0.00 C ATOM 1260 CE2 TYR A 81 -1.049 -3.177 2.643 1.00 0.00 C ATOM 1261 CZ TYR A 81 -2.241 -2.527 2.409 1.00 0.00 C ATOM 1262 OH TYR A 81 -2.762 -2.497 1.136 1.00 0.00 O ATOM 0 H TYR A 81 1.245 -1.181 5.627 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.179 -0.595 6.751 1.00 0.00 H new ATOM 0 HB2 TYR A 81 0.341 -3.189 6.351 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -1.278 -3.190 7.022 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -2.901 -1.453 5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 81 0.406 -3.722 4.098 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -3.846 -1.399 3.259 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.526 -3.660 1.831 1.00 0.00 H new ATOM 0 HH TYR A 81 -2.128 -2.910 0.513 1.00 0.00 H new ATOM 1272 N GLN A 82 -1.146 -0.643 9.177 1.00 0.00 N ATOM 1273 CA GLN A 82 -1.205 -0.658 10.632 1.00 0.00 C ATOM 1274 C GLN A 82 -1.741 -2.001 11.104 1.00 0.00 C ATOM 1275 O GLN A 82 -2.797 -2.449 10.656 1.00 0.00 O ATOM 1276 CB GLN A 82 -2.102 0.467 11.147 1.00 0.00 C ATOM 1277 CG GLN A 82 -1.581 1.859 10.833 1.00 0.00 C ATOM 1278 CD GLN A 82 -0.788 2.453 11.972 1.00 0.00 C ATOM 1279 OE1 GLN A 82 0.431 2.309 12.039 1.00 0.00 O ATOM 1280 NE2 GLN A 82 -1.479 3.119 12.881 1.00 0.00 N ATOM 0 H GLN A 82 -1.836 -0.035 8.736 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.200 -0.505 11.025 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.095 0.355 10.713 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.213 0.366 12.227 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.954 1.816 9.942 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -2.421 2.513 10.600 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.490 3.213 12.785 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.001 3.539 13.679 1.00 0.00 H new ATOM 1289 N GLY A 83 -1.005 -2.650 11.989 1.00 0.00 N ATOM 1290 CA GLY A 83 -1.423 -3.944 12.485 1.00 0.00 C ATOM 1291 C GLY A 83 -0.537 -5.046 11.954 1.00 0.00 C ATOM 1292 O GLY A 83 -0.463 -6.132 12.528 1.00 0.00 O ATOM 0 H GLY A 83 -0.125 -2.305 12.374 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.395 -3.945 13.575 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.456 -4.132 12.193 1.00 0.00 H new ATOM 1296 N TRP A 84 0.135 -4.762 10.847 1.00 0.00 N ATOM 1297 CA TRP A 84 1.042 -5.717 10.236 1.00 0.00 C ATOM 1298 C TRP A 84 2.479 -5.397 10.649 1.00 0.00 C ATOM 1299 O TRP A 84 2.859 -5.606 11.800 1.00 0.00 O ATOM 1300 CB TRP A 84 0.909 -5.687 8.711 1.00 0.00 C ATOM 1301 CG TRP A 84 -0.314 -6.380 8.185 1.00 0.00 C ATOM 1302 CD1 TRP A 84 -1.360 -5.801 7.531 1.00 0.00 C ATOM 1303 CD2 TRP A 84 -0.609 -7.781 8.255 1.00 0.00 C ATOM 1304 NE1 TRP A 84 -2.286 -6.753 7.188 1.00 0.00 N ATOM 1305 CE2 TRP A 84 -1.850 -7.976 7.621 1.00 0.00 C ATOM 1306 CE3 TRP A 84 0.052 -8.892 8.787 1.00 0.00 C ATOM 1307 CZ2 TRP A 84 -2.440 -9.230 7.507 1.00 0.00 C ATOM 1308 CZ3 TRP A 84 -0.534 -10.138 8.675 1.00 0.00 C ATOM 1309 CH2 TRP A 84 -1.769 -10.300 8.037 1.00 0.00 C ATOM 0 H TRP A 84 0.067 -3.872 10.353 1.00 0.00 H new ATOM 0 HA TRP A 84 0.784 -6.718 10.581 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.895 -4.649 8.379 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.792 -6.150 8.272 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -1.447 -4.747 7.314 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -3.159 -6.578 6.690 1.00 0.00 H new ATOM 0 HE3 TRP A 84 1.007 -8.778 9.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -3.394 -9.356 7.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.031 -11.001 9.086 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -2.201 -11.287 7.961 1.00 0.00 H new ATOM 1320 N LYS A 85 3.260 -4.865 9.709 1.00 0.00 N ATOM 1321 CA LYS A 85 4.651 -4.498 9.952 1.00 0.00 C ATOM 1322 C LYS A 85 5.221 -3.818 8.713 1.00 0.00 C ATOM 1323 O LYS A 85 4.496 -3.595 7.747 1.00 0.00 O ATOM 1324 CB LYS A 85 5.498 -5.719 10.326 1.00 0.00 C ATOM 1325 CG LYS A 85 5.350 -6.902 9.383 1.00 0.00 C ATOM 1326 CD LYS A 85 6.171 -8.084 9.864 1.00 0.00 C ATOM 1327 CE LYS A 85 5.786 -9.360 9.140 1.00 0.00 C ATOM 1328 NZ LYS A 85 6.500 -10.541 9.686 1.00 0.00 N ATOM 0 H LYS A 85 2.944 -4.677 8.758 1.00 0.00 H new ATOM 0 HA LYS A 85 4.682 -3.808 10.795 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.547 -5.423 10.355 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.229 -6.037 11.333 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.300 -7.187 9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.670 -6.616 8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.230 -7.881 9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.028 -8.216 10.936 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.710 -9.515 9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.012 -9.258 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.210 -11.393 9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.526 -10.405 9.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.265 -10.654 10.693 1.00 0.00 H new ATOM 1342 N SER A 86 6.515 -3.506 8.737 1.00 0.00 N ATOM 1343 CA SER A 86 7.169 -2.832 7.615 1.00 0.00 C ATOM 1344 C SER A 86 7.218 -3.723 6.375 1.00 0.00 C ATOM 1345 O SER A 86 7.412 -3.247 5.256 1.00 0.00 O ATOM 1346 CB SER A 86 8.579 -2.408 8.019 1.00 0.00 C ATOM 1347 OG SER A 86 8.614 -2.011 9.382 1.00 0.00 O ATOM 0 H SER A 86 7.133 -3.709 9.522 1.00 0.00 H new ATOM 0 HA SER A 86 6.583 -1.949 7.362 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.272 -3.234 7.858 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.911 -1.585 7.387 1.00 0.00 H new ATOM 0 HG SER A 86 9.526 -1.745 9.622 1.00 0.00 H new ATOM 1353 N SER A 87 7.032 -5.019 6.575 1.00 0.00 N ATOM 1354 CA SER A 87 7.038 -5.967 5.475 1.00 0.00 C ATOM 1355 C SER A 87 5.749 -5.840 4.665 1.00 0.00 C ATOM 1356 O SER A 87 5.569 -6.505 3.644 1.00 0.00 O ATOM 1357 CB SER A 87 7.179 -7.382 6.025 1.00 0.00 C ATOM 1358 OG SER A 87 7.895 -7.374 7.251 1.00 0.00 O ATOM 0 H SER A 87 6.875 -5.437 7.492 1.00 0.00 H new ATOM 0 HA SER A 87 7.881 -5.753 4.819 1.00 0.00 H new ATOM 0 HB2 SER A 87 6.192 -7.819 6.177 1.00 0.00 H new ATOM 0 HB3 SER A 87 7.697 -8.010 5.300 1.00 0.00 H new ATOM 0 HG SER A 87 7.974 -8.290 7.590 1.00 0.00 H new ATOM 1364 N TRP A 88 4.853 -4.975 5.129 1.00 0.00 N ATOM 1365 CA TRP A 88 3.589 -4.757 4.453 1.00 0.00 C ATOM 1366 C TRP A 88 3.455 -3.306 4.016 1.00 0.00 C ATOM 1367 O TRP A 88 2.352 -2.775 3.901 1.00 0.00 O ATOM 1368 CB TRP A 88 2.428 -5.170 5.355 1.00 0.00 C ATOM 1369 CG TRP A 88 2.226 -6.655 5.374 1.00 0.00 C ATOM 1370 CD1 TRP A 88 2.745 -7.547 6.269 1.00 0.00 C ATOM 1371 CD2 TRP A 88 1.458 -7.422 4.443 1.00 0.00 C ATOM 1372 NE1 TRP A 88 2.353 -8.823 5.942 1.00 0.00 N ATOM 1373 CE2 TRP A 88 1.562 -8.772 4.825 1.00 0.00 C ATOM 1374 CE3 TRP A 88 0.693 -7.094 3.317 1.00 0.00 C ATOM 1375 CZ2 TRP A 88 0.930 -9.792 4.119 1.00 0.00 C ATOM 1376 CZ3 TRP A 88 0.068 -8.107 2.621 1.00 0.00 C ATOM 1377 CH2 TRP A 88 0.191 -9.444 3.023 1.00 0.00 C ATOM 0 H TRP A 88 4.983 -4.415 5.972 1.00 0.00 H new ATOM 0 HA TRP A 88 3.562 -5.377 3.557 1.00 0.00 H new ATOM 0 HB2 TRP A 88 2.615 -4.818 6.369 1.00 0.00 H new ATOM 0 HB3 TRP A 88 1.514 -4.685 5.013 1.00 0.00 H new ATOM 0 HD1 TRP A 88 3.371 -7.288 7.110 1.00 0.00 H new ATOM 0 HE1 TRP A 88 2.609 -9.670 6.449 1.00 0.00 H new ATOM 0 HE3 TRP A 88 0.594 -6.066 3.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 1.021 -10.823 4.427 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -0.526 -7.866 1.752 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -0.308 -10.215 2.455 1.00 0.00 H new ATOM 1388 N ASP A 89 4.590 -2.659 3.806 1.00 0.00 N ATOM 1389 CA ASP A 89 4.595 -1.283 3.331 1.00 0.00 C ATOM 1390 C ASP A 89 4.299 -1.319 1.832 1.00 0.00 C ATOM 1391 O ASP A 89 5.175 -1.636 1.024 1.00 0.00 O ATOM 1392 CB ASP A 89 5.945 -0.610 3.615 1.00 0.00 C ATOM 1393 CG ASP A 89 6.168 -0.290 5.090 1.00 0.00 C ATOM 1394 OD1 ASP A 89 5.492 -0.891 5.957 1.00 0.00 O ATOM 1395 OD2 ASP A 89 7.035 0.561 5.392 1.00 0.00 O ATOM 0 H ASP A 89 5.515 -3.061 3.956 1.00 0.00 H new ATOM 0 HA ASP A 89 3.839 -0.695 3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.747 -1.262 3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.011 0.312 3.037 1.00 0.00 H new ATOM 1400 N GLU A 90 3.055 -1.025 1.470 1.00 0.00 N ATOM 1401 CA GLU A 90 2.620 -1.095 0.077 1.00 0.00 C ATOM 1402 C GLU A 90 2.120 0.251 -0.459 1.00 0.00 C ATOM 1403 O GLU A 90 1.860 1.189 0.296 1.00 0.00 O ATOM 1404 CB GLU A 90 1.505 -2.144 -0.049 1.00 0.00 C ATOM 1405 CG GLU A 90 1.261 -2.639 -1.470 1.00 0.00 C ATOM 1406 CD GLU A 90 -0.209 -2.881 -1.767 1.00 0.00 C ATOM 1407 OE1 GLU A 90 -1.003 -3.054 -0.816 1.00 0.00 O ATOM 1408 OE2 GLU A 90 -0.581 -2.894 -2.958 1.00 0.00 O ATOM 0 H GLU A 90 2.327 -0.735 2.123 1.00 0.00 H new ATOM 0 HA GLU A 90 3.487 -1.374 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.753 -2.997 0.582 1.00 0.00 H new ATOM 0 HB3 GLU A 90 0.579 -1.720 0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 90 1.654 -1.908 -2.177 1.00 0.00 H new ATOM 0 HG3 GLU A 90 1.815 -3.564 -1.627 1.00 0.00 H new ATOM 1415 N TRP A 91 1.993 0.314 -1.781 1.00 0.00 N ATOM 1416 CA TRP A 91 1.509 1.502 -2.470 1.00 0.00 C ATOM 1417 C TRP A 91 0.004 1.401 -2.711 1.00 0.00 C ATOM 1418 O TRP A 91 -0.456 0.491 -3.406 1.00 0.00 O ATOM 1419 CB TRP A 91 2.177 1.643 -3.839 1.00 0.00 C ATOM 1420 CG TRP A 91 3.567 2.194 -3.839 1.00 0.00 C ATOM 1421 CD1 TRP A 91 4.720 1.482 -3.986 1.00 0.00 C ATOM 1422 CD2 TRP A 91 3.956 3.573 -3.733 1.00 0.00 C ATOM 1423 NE1 TRP A 91 5.802 2.329 -3.987 1.00 0.00 N ATOM 1424 CE2 TRP A 91 5.358 3.615 -3.828 1.00 0.00 C ATOM 1425 CE3 TRP A 91 3.259 4.780 -3.563 1.00 0.00 C ATOM 1426 CZ2 TRP A 91 6.073 4.809 -3.770 1.00 0.00 C ATOM 1427 CZ3 TRP A 91 3.980 5.962 -3.500 1.00 0.00 C ATOM 1428 CH2 TRP A 91 5.370 5.965 -3.609 1.00 0.00 C ATOM 0 H TRP A 91 2.224 -0.460 -2.404 1.00 0.00 H new ATOM 0 HA TRP A 91 1.744 2.360 -1.840 1.00 0.00 H new ATOM 0 HB2 TRP A 91 2.197 0.662 -4.314 1.00 0.00 H new ATOM 0 HB3 TRP A 91 1.553 2.285 -4.461 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.775 0.408 -4.087 1.00 0.00 H new ATOM 0 HE1 TRP A 91 6.777 2.046 -4.089 1.00 0.00 H new ATOM 0 HE3 TRP A 91 2.182 4.787 -3.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 7.150 4.818 -3.850 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 3.456 6.897 -3.364 1.00 0.00 H new ATOM 0 HH2 TRP A 91 5.901 6.904 -3.565 1.00 0.00 H new ATOM 1439 N VAL A 92 -0.762 2.315 -2.144 1.00 0.00 N ATOM 1440 CA VAL A 92 -2.203 2.328 -2.355 1.00 0.00 C ATOM 1441 C VAL A 92 -2.625 3.687 -2.898 1.00 0.00 C ATOM 1442 O VAL A 92 -2.197 4.715 -2.394 1.00 0.00 O ATOM 1443 CB VAL A 92 -2.998 2.007 -1.067 1.00 0.00 C ATOM 1444 CG1 VAL A 92 -2.616 0.639 -0.528 1.00 0.00 C ATOM 1445 CG2 VAL A 92 -2.789 3.078 -0.008 1.00 0.00 C ATOM 0 H VAL A 92 -0.415 3.056 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.433 1.543 -3.076 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.057 1.994 -1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.186 0.433 0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.837 -0.122 -1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.551 0.623 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.361 2.824 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.730 3.139 0.244 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.126 4.041 -0.393 1.00 0.00 H new ATOM 1455 N GLY A 93 -3.449 3.699 -3.926 1.00 0.00 N ATOM 1456 CA GLY A 93 -3.867 4.960 -4.505 1.00 0.00 C ATOM 1457 C GLY A 93 -5.315 5.247 -4.215 1.00 0.00 C ATOM 1458 O GLY A 93 -5.949 4.499 -3.483 1.00 0.00 O ATOM 0 H GLY A 93 -3.837 2.867 -4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.249 5.766 -4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.708 4.937 -5.583 1.00 0.00 H new ATOM 1462 N TYR A 94 -5.854 6.310 -4.812 1.00 0.00 N ATOM 1463 CA TYR A 94 -7.262 6.690 -4.619 1.00 0.00 C ATOM 1464 C TYR A 94 -8.199 5.589 -5.096 1.00 0.00 C ATOM 1465 O TYR A 94 -9.415 5.661 -4.930 1.00 0.00 O ATOM 1466 CB TYR A 94 -7.583 7.966 -5.384 1.00 0.00 C ATOM 1467 CG TYR A 94 -7.103 9.213 -4.703 1.00 0.00 C ATOM 1468 CD1 TYR A 94 -5.761 9.554 -4.710 1.00 0.00 C ATOM 1469 CD2 TYR A 94 -7.991 10.048 -4.051 1.00 0.00 C ATOM 1470 CE1 TYR A 94 -5.315 10.695 -4.081 1.00 0.00 C ATOM 1471 CE2 TYR A 94 -7.558 11.193 -3.421 1.00 0.00 C ATOM 1472 CZ TYR A 94 -6.218 11.514 -3.438 1.00 0.00 C ATOM 1473 OH TYR A 94 -5.779 12.654 -2.801 1.00 0.00 O ATOM 0 H TYR A 94 -5.338 6.929 -5.437 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.409 6.851 -3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.134 7.908 -6.375 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.662 8.032 -5.526 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.053 8.915 -5.217 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -9.042 9.798 -4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.265 10.946 -4.091 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.264 11.836 -2.917 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.542 13.119 -2.399 1.00 0.00 H new ATOM 1483 N ASP A 95 -7.603 4.581 -5.688 1.00 0.00 N ATOM 1484 CA ASP A 95 -8.325 3.436 -6.218 1.00 0.00 C ATOM 1485 C ASP A 95 -8.662 2.467 -5.098 1.00 0.00 C ATOM 1486 O ASP A 95 -9.659 1.751 -5.159 1.00 0.00 O ATOM 1487 CB ASP A 95 -7.484 2.722 -7.285 1.00 0.00 C ATOM 1488 CG ASP A 95 -6.086 2.404 -6.788 1.00 0.00 C ATOM 1489 OD1 ASP A 95 -5.806 1.224 -6.498 1.00 0.00 O ATOM 1490 OD2 ASP A 95 -5.271 3.341 -6.666 1.00 0.00 O ATOM 0 H ASP A 95 -6.593 4.527 -5.819 1.00 0.00 H new ATOM 0 HA ASP A 95 -9.249 3.790 -6.675 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.982 1.799 -7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -7.419 3.349 -8.174 1.00 0.00 H new ATOM 1495 N ARG A 96 -7.832 2.459 -4.068 1.00 0.00 N ATOM 1496 CA ARG A 96 -8.041 1.564 -2.942 1.00 0.00 C ATOM 1497 C ARG A 96 -8.026 2.326 -1.628 1.00 0.00 C ATOM 1498 O ARG A 96 -8.530 1.851 -0.621 1.00 0.00 O ATOM 1499 CB ARG A 96 -6.951 0.487 -2.907 1.00 0.00 C ATOM 1500 CG ARG A 96 -6.944 -0.427 -4.121 1.00 0.00 C ATOM 1501 CD ARG A 96 -5.570 -1.045 -4.338 1.00 0.00 C ATOM 1502 NE ARG A 96 -5.089 -1.750 -3.149 1.00 0.00 N ATOM 1503 CZ ARG A 96 -3.805 -2.023 -2.908 1.00 0.00 C ATOM 1504 NH1 ARG A 96 -2.869 -1.670 -3.771 1.00 0.00 N ATOM 1505 NH2 ARG A 96 -3.455 -2.644 -1.789 1.00 0.00 N ATOM 0 H ARG A 96 -7.011 3.059 -3.988 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.017 1.096 -3.070 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -5.978 0.972 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.082 -0.119 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -7.684 -1.217 -3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -7.235 0.138 -5.006 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -5.614 -1.739 -5.177 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -4.860 -0.263 -4.607 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.779 -2.052 -2.461 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -3.125 -1.184 -4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -1.890 -1.883 -3.578 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.168 -2.914 -1.111 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.473 -2.852 -1.607 1.00 0.00 H new ATOM 1519 N ILE A 97 -7.461 3.511 -1.640 1.00 0.00 N ATOM 1520 CA ILE A 97 -7.351 4.300 -0.437 1.00 0.00 C ATOM 1521 C ILE A 97 -8.607 5.130 -0.182 1.00 0.00 C ATOM 1522 O ILE A 97 -9.274 5.600 -1.110 1.00 0.00 O ATOM 1523 CB ILE A 97 -6.092 5.205 -0.474 1.00 0.00 C ATOM 1524 CG1 ILE A 97 -5.588 5.436 0.934 1.00 0.00 C ATOM 1525 CG2 ILE A 97 -6.376 6.530 -1.143 1.00 0.00 C ATOM 1526 CD1 ILE A 97 -4.349 6.301 1.020 1.00 0.00 C ATOM 0 H ILE A 97 -7.069 3.950 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 97 -7.246 3.602 0.394 1.00 0.00 H new ATOM 0 HB ILE A 97 -5.328 4.694 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -6.382 5.900 1.520 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -5.375 4.471 1.394 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.470 7.136 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.704 6.357 -2.168 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.159 7.054 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -4.057 6.415 2.064 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -3.537 5.830 0.465 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -4.559 7.282 0.593 1.00 0.00 H new ATOM 1538 N ARG A 98 -8.930 5.259 1.094 1.00 0.00 N ATOM 1539 CA ARG A 98 -10.081 6.012 1.555 1.00 0.00 C ATOM 1540 C ARG A 98 -9.649 6.915 2.699 1.00 0.00 C ATOM 1541 O ARG A 98 -8.473 6.938 3.058 1.00 0.00 O ATOM 1542 CB ARG A 98 -11.199 5.066 2.016 1.00 0.00 C ATOM 1543 CG ARG A 98 -11.774 4.203 0.901 1.00 0.00 C ATOM 1544 CD ARG A 98 -12.151 5.038 -0.313 1.00 0.00 C ATOM 1545 NE ARG A 98 -12.970 4.300 -1.269 1.00 0.00 N ATOM 1546 CZ ARG A 98 -12.713 4.239 -2.575 1.00 0.00 C ATOM 1547 NH1 ARG A 98 -11.611 4.800 -3.068 1.00 0.00 N ATOM 1548 NH2 ARG A 98 -13.554 3.610 -3.380 1.00 0.00 N ATOM 0 H ARG A 98 -8.390 4.836 1.849 1.00 0.00 H new ATOM 0 HA ARG A 98 -10.471 6.616 0.735 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -10.812 4.417 2.802 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -12.002 5.656 2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -11.044 3.447 0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -12.654 3.673 1.267 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -12.692 5.925 0.015 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.243 5.383 -0.808 1.00 0.00 H new ATOM 0 HE ARG A 98 -13.787 3.802 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.960 5.279 -2.445 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.418 4.751 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -14.395 3.175 -3.000 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -13.362 3.561 -4.380 1.00 0.00 H new ATOM 1562 N ALA A 99 -10.595 7.610 3.312 1.00 0.00 N ATOM 1563 CA ALA A 99 -10.285 8.512 4.384 1.00 0.00 C ATOM 1564 C ALA A 99 -10.670 7.841 5.661 1.00 0.00 C ATOM 1565 O ALA A 99 -11.763 7.291 5.792 1.00 0.00 O ATOM 1566 CB ALA A 99 -11.028 9.834 4.238 1.00 0.00 C ATOM 0 H ALA A 99 -11.586 7.558 3.076 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.220 8.745 4.370 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -10.768 10.491 5.068 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -10.746 10.308 3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.102 9.650 4.244 1.00 0.00 H new ATOM 1572 N TYR A 100 -9.760 7.849 6.578 1.00 0.00 N ATOM 1573 CA TYR A 100 -9.983 7.241 7.851 1.00 0.00 C ATOM 1574 C TYR A 100 -10.923 8.115 8.678 1.00 0.00 C ATOM 1575 O TYR A 100 -10.516 9.109 9.283 1.00 0.00 O ATOM 1576 CB TYR A 100 -8.623 7.075 8.482 1.00 0.00 C ATOM 1577 CG TYR A 100 -8.604 6.384 9.823 1.00 0.00 C ATOM 1578 CD1 TYR A 100 -8.748 7.099 11.000 1.00 0.00 C ATOM 1579 CD2 TYR A 100 -8.420 5.010 9.903 1.00 0.00 C ATOM 1580 CE1 TYR A 100 -8.713 6.466 12.225 1.00 0.00 C ATOM 1581 CE2 TYR A 100 -8.387 4.369 11.122 1.00 0.00 C ATOM 1582 CZ TYR A 100 -8.532 5.100 12.281 1.00 0.00 C ATOM 1583 OH TYR A 100 -8.493 4.458 13.498 1.00 0.00 O ATOM 0 H TYR A 100 -8.841 8.277 6.468 1.00 0.00 H new ATOM 0 HA TYR A 100 -10.468 6.268 7.776 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -7.990 6.513 7.795 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -8.173 8.061 8.596 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -8.890 8.169 10.958 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -8.301 4.435 8.996 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -8.827 7.037 13.135 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -8.248 3.299 11.169 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.768 3.798 13.497 1.00 0.00 H new ATOM 1593 N ASN A 101 -12.197 7.748 8.662 1.00 0.00 N ATOM 1594 CA ASN A 101 -13.230 8.479 9.376 1.00 0.00 C ATOM 1595 C ASN A 101 -14.235 7.504 9.974 1.00 0.00 C ATOM 1596 O ASN A 101 -13.962 6.313 10.067 1.00 0.00 O ATOM 1597 CB ASN A 101 -13.934 9.462 8.428 1.00 0.00 C ATOM 1598 CG ASN A 101 -14.387 8.797 7.143 1.00 0.00 C ATOM 1599 OD1 ASN A 101 -14.999 7.729 7.160 1.00 0.00 O ATOM 1600 ND2 ASN A 101 -14.081 9.415 6.016 1.00 0.00 N ATOM 0 H ASN A 101 -12.542 6.934 8.153 1.00 0.00 H new ATOM 0 HA ASN A 101 -12.770 9.048 10.184 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -14.797 9.896 8.933 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -13.257 10.283 8.191 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -14.353 9.008 5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -13.573 10.299 6.041 1.00 0.00 H new ATOM 1607 N GLU A 102 -15.404 7.991 10.356 1.00 0.00 N ATOM 1608 CA GLU A 102 -16.420 7.132 10.960 1.00 0.00 C ATOM 1609 C GLU A 102 -17.341 6.493 9.922 1.00 0.00 C ATOM 1610 O GLU A 102 -18.201 5.691 10.270 1.00 0.00 O ATOM 1611 CB GLU A 102 -17.265 7.921 11.962 1.00 0.00 C ATOM 1612 CG GLU A 102 -16.447 8.745 12.941 1.00 0.00 C ATOM 1613 CD GLU A 102 -16.333 10.197 12.527 1.00 0.00 C ATOM 1614 OE1 GLU A 102 -16.043 10.466 11.343 1.00 0.00 O ATOM 1615 OE2 GLU A 102 -16.530 11.079 13.388 1.00 0.00 O ATOM 0 H GLU A 102 -15.676 8.970 10.261 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.884 6.332 11.471 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -17.935 8.584 11.415 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -17.891 7.226 12.521 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -16.904 8.688 13.929 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -15.449 8.316 13.026 1.00 0.00 H new ATOM 1622 N GLU A 103 -17.182 6.856 8.657 1.00 0.00 N ATOM 1623 CA GLU A 103 -18.032 6.310 7.602 1.00 0.00 C ATOM 1624 C GLU A 103 -17.367 5.155 6.859 1.00 0.00 C ATOM 1625 O GLU A 103 -17.944 4.074 6.730 1.00 0.00 O ATOM 1626 CB GLU A 103 -18.419 7.399 6.603 1.00 0.00 C ATOM 1627 CG GLU A 103 -19.289 6.883 5.466 1.00 0.00 C ATOM 1628 CD GLU A 103 -20.301 7.897 5.001 1.00 0.00 C ATOM 1629 OE1 GLU A 103 -19.996 8.653 4.058 1.00 0.00 O ATOM 1630 OE2 GLU A 103 -21.411 7.936 5.567 1.00 0.00 O ATOM 0 H GLU A 103 -16.479 7.521 8.335 1.00 0.00 H new ATOM 0 HA GLU A 103 -18.926 5.924 8.092 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -18.950 8.193 7.128 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -17.514 7.842 6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.653 6.600 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -19.808 5.981 5.791 1.00 0.00 H new ATOM 1637 N ASN A 104 -16.149 5.375 6.385 1.00 0.00 N ATOM 1638 CA ASN A 104 -15.431 4.358 5.628 1.00 0.00 C ATOM 1639 C ASN A 104 -15.070 3.199 6.531 1.00 0.00 C ATOM 1640 O ASN A 104 -15.079 2.037 6.128 1.00 0.00 O ATOM 1641 CB ASN A 104 -14.175 4.946 4.992 1.00 0.00 C ATOM 1642 CG ASN A 104 -14.488 5.842 3.808 1.00 0.00 C ATOM 1643 OD1 ASN A 104 -14.631 7.056 3.952 1.00 0.00 O ATOM 1644 ND2 ASN A 104 -14.598 5.247 2.632 1.00 0.00 N ATOM 0 H ASN A 104 -15.637 6.248 6.511 1.00 0.00 H new ATOM 0 HA ASN A 104 -16.080 3.996 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -13.626 5.517 5.741 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -13.522 4.135 4.668 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -14.809 5.798 1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -14.472 4.238 2.557 1.00 0.00 H new ATOM 1651 N ILE A 105 -14.785 3.530 7.769 1.00 0.00 N ATOM 1652 CA ILE A 105 -14.442 2.545 8.767 1.00 0.00 C ATOM 1653 C ILE A 105 -15.679 1.763 9.156 1.00 0.00 C ATOM 1654 O ILE A 105 -15.616 0.560 9.414 1.00 0.00 O ATOM 1655 CB ILE A 105 -13.870 3.232 9.993 1.00 0.00 C ATOM 1656 CG1 ILE A 105 -12.442 3.681 9.713 1.00 0.00 C ATOM 1657 CG2 ILE A 105 -13.928 2.329 11.214 1.00 0.00 C ATOM 1658 CD1 ILE A 105 -11.772 4.259 10.922 1.00 0.00 C ATOM 0 H ILE A 105 -14.785 4.490 8.112 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.697 1.864 8.356 1.00 0.00 H new ATOM 0 HB ILE A 105 -14.479 4.109 10.213 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.862 2.831 9.352 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.449 4.424 8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -13.510 2.853 12.074 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -14.964 2.062 11.420 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.351 1.424 11.025 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.757 4.562 10.665 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.333 5.127 11.269 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -11.738 3.509 11.712 1.00 0.00 H new ATOM 1670 N ALA A 106 -16.807 2.463 9.191 1.00 0.00 N ATOM 1671 CA ALA A 106 -18.074 1.844 9.524 1.00 0.00 C ATOM 1672 C ALA A 106 -18.350 0.731 8.532 1.00 0.00 C ATOM 1673 O ALA A 106 -18.953 -0.292 8.870 1.00 0.00 O ATOM 1674 CB ALA A 106 -19.190 2.873 9.523 1.00 0.00 C ATOM 0 H ALA A 106 -16.865 3.462 8.992 1.00 0.00 H new ATOM 0 HA ALA A 106 -18.025 1.423 10.528 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -20.133 2.388 9.775 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -18.972 3.647 10.259 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -19.268 3.324 8.534 1.00 0.00 H new ATOM 1680 N MET A 107 -17.880 0.927 7.302 1.00 0.00 N ATOM 1681 CA MET A 107 -18.035 -0.091 6.287 1.00 0.00 C ATOM 1682 C MET A 107 -17.041 -1.193 6.591 1.00 0.00 C ATOM 1683 O MET A 107 -17.408 -2.342 6.625 1.00 0.00 O ATOM 1684 CB MET A 107 -17.786 0.441 4.871 1.00 0.00 C ATOM 1685 CG MET A 107 -18.604 -0.256 3.795 1.00 0.00 C ATOM 1686 SD MET A 107 -18.387 0.503 2.170 1.00 0.00 S ATOM 1687 CE MET A 107 -19.065 -0.778 1.116 1.00 0.00 C ATOM 0 H MET A 107 -17.397 1.771 6.995 1.00 0.00 H new ATOM 0 HA MET A 107 -19.064 -0.451 6.310 1.00 0.00 H new ATOM 0 HB2 MET A 107 -18.011 1.507 4.850 1.00 0.00 H new ATOM 0 HB3 MET A 107 -16.727 0.334 4.635 1.00 0.00 H new ATOM 0 HG2 MET A 107 -18.315 -1.306 3.745 1.00 0.00 H new ATOM 0 HG3 MET A 107 -19.659 -0.229 4.069 1.00 0.00 H new ATOM 0 HE1 MET A 107 -19.005 -0.462 0.075 1.00 0.00 H new ATOM 0 HE2 MET A 107 -18.496 -1.698 1.250 1.00 0.00 H new ATOM 0 HE3 MET A 107 -20.107 -0.954 1.382 1.00 0.00 H new ATOM 1697 N LYS A 108 -15.784 -0.800 6.858 1.00 0.00 N ATOM 1698 CA LYS A 108 -14.695 -1.722 7.173 1.00 0.00 C ATOM 1699 C LYS A 108 -15.113 -2.720 8.247 1.00 0.00 C ATOM 1700 O LYS A 108 -14.775 -3.899 8.181 1.00 0.00 O ATOM 1701 CB LYS A 108 -13.481 -0.916 7.643 1.00 0.00 C ATOM 1702 CG LYS A 108 -12.297 -1.762 8.062 1.00 0.00 C ATOM 1703 CD LYS A 108 -11.519 -1.097 9.182 1.00 0.00 C ATOM 1704 CE LYS A 108 -10.052 -1.486 9.155 1.00 0.00 C ATOM 1705 NZ LYS A 108 -9.868 -2.964 9.146 1.00 0.00 N ATOM 0 H LYS A 108 -15.499 0.179 6.860 1.00 0.00 H new ATOM 0 HA LYS A 108 -14.440 -2.288 6.277 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -13.170 -0.248 6.840 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -13.779 -0.288 8.482 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -12.644 -2.742 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -11.641 -1.925 7.206 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -11.610 -0.014 9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -11.952 -1.377 10.142 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -9.579 -1.056 8.272 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -9.548 -1.063 10.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.974 -3.205 9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -10.659 -3.415 9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -9.842 -3.305 8.164 1.00 0.00 H new ATOM 1719 N LYS A 109 -15.834 -2.229 9.241 1.00 0.00 N ATOM 1720 CA LYS A 109 -16.333 -3.080 10.326 1.00 0.00 C ATOM 1721 C LYS A 109 -17.270 -4.142 9.767 1.00 0.00 C ATOM 1722 O LYS A 109 -17.056 -5.339 9.959 1.00 0.00 O ATOM 1723 CB LYS A 109 -17.078 -2.261 11.389 1.00 0.00 C ATOM 1724 CG LYS A 109 -16.282 -1.105 11.972 1.00 0.00 C ATOM 1725 CD LYS A 109 -14.936 -1.562 12.500 1.00 0.00 C ATOM 1726 CE LYS A 109 -14.252 -0.469 13.303 1.00 0.00 C ATOM 1727 NZ LYS A 109 -14.991 -0.135 14.552 1.00 0.00 N ATOM 0 H LYS A 109 -16.091 -1.246 9.326 1.00 0.00 H new ATOM 0 HA LYS A 109 -15.470 -3.552 10.796 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -17.995 -1.868 10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -17.374 -2.927 12.200 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -16.133 -0.343 11.207 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -16.851 -0.641 12.778 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.070 -2.445 13.126 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.298 -1.856 11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.241 -0.787 13.556 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.160 0.426 12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -14.359 0.373 15.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.807 0.467 14.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -15.323 -1.011 15.004 1.00 0.00 H new ATOM 1741 N ARG A 110 -18.306 -3.690 9.078 1.00 0.00 N ATOM 1742 CA ARG A 110 -19.275 -4.583 8.457 1.00 0.00 C ATOM 1743 C ARG A 110 -18.581 -5.434 7.413 1.00 0.00 C ATOM 1744 O ARG A 110 -18.872 -6.600 7.243 1.00 0.00 O ATOM 1745 CB ARG A 110 -20.371 -3.753 7.793 1.00 0.00 C ATOM 1746 CG ARG A 110 -21.178 -4.502 6.742 1.00 0.00 C ATOM 1747 CD ARG A 110 -22.241 -3.613 6.114 1.00 0.00 C ATOM 1748 NE ARG A 110 -23.137 -3.039 7.121 1.00 0.00 N ATOM 1749 CZ ARG A 110 -24.212 -3.663 7.604 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -24.529 -4.881 7.187 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -24.959 -3.074 8.530 1.00 0.00 N ATOM 0 H ARG A 110 -18.499 -2.699 8.933 1.00 0.00 H new ATOM 0 HA ARG A 110 -19.716 -5.230 9.216 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -21.050 -3.388 8.563 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -19.916 -2.878 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -20.509 -4.874 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -21.652 -5.371 7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -21.759 -2.810 5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -22.823 -4.193 5.398 1.00 0.00 H new ATOM 0 HE ARG A 110 -22.926 -2.106 7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -23.949 -5.349 6.491 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -25.353 -5.350 7.562 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -24.710 -2.145 8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -25.782 -3.550 8.900 1.00 0.00 H new ATOM 1765 N LEU A 111 -17.642 -4.813 6.748 1.00 0.00 N ATOM 1766 CA LEU A 111 -16.866 -5.420 5.699 1.00 0.00 C ATOM 1767 C LEU A 111 -16.036 -6.570 6.202 1.00 0.00 C ATOM 1768 O LEU A 111 -16.009 -7.624 5.592 1.00 0.00 O ATOM 1769 CB LEU A 111 -15.980 -4.358 5.077 1.00 0.00 C ATOM 1770 CG LEU A 111 -16.626 -3.647 3.917 1.00 0.00 C ATOM 1771 CD1 LEU A 111 -15.883 -2.370 3.588 1.00 0.00 C ATOM 1772 CD2 LEU A 111 -16.724 -4.524 2.697 1.00 0.00 C ATOM 0 H LEU A 111 -17.389 -3.841 6.927 1.00 0.00 H new ATOM 0 HA LEU A 111 -17.548 -5.829 4.953 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -15.712 -3.626 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -15.052 -4.821 4.740 1.00 0.00 H new ATOM 0 HG LEU A 111 -17.642 -3.396 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -16.367 -1.874 2.747 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -15.894 -1.709 4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -14.852 -2.606 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -17.196 -3.969 1.887 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -15.725 -4.834 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -17.322 -5.405 2.929 1.00 0.00 H new ATOM 1784 N ALA A 112 -15.379 -6.391 7.327 1.00 0.00 N ATOM 1785 CA ALA A 112 -14.554 -7.451 7.858 1.00 0.00 C ATOM 1786 C ALA A 112 -15.420 -8.529 8.470 1.00 0.00 C ATOM 1787 O ALA A 112 -14.936 -9.589 8.847 1.00 0.00 O ATOM 1788 CB ALA A 112 -13.535 -6.916 8.851 1.00 0.00 C ATOM 0 H ALA A 112 -15.399 -5.536 7.883 1.00 0.00 H new ATOM 0 HA ALA A 112 -13.991 -7.895 7.037 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -12.931 -7.739 9.231 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -12.890 -6.191 8.355 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -14.053 -6.433 9.680 1.00 0.00 H new ATOM 1794 N ASN A 113 -16.698 -8.232 8.603 1.00 0.00 N ATOM 1795 CA ASN A 113 -17.644 -9.191 9.126 1.00 0.00 C ATOM 1796 C ASN A 113 -18.389 -9.859 7.975 1.00 0.00 C ATOM 1797 O ASN A 113 -18.710 -11.042 8.041 1.00 0.00 O ATOM 1798 CB ASN A 113 -18.639 -8.514 10.061 1.00 0.00 C ATOM 1799 CG ASN A 113 -18.146 -8.437 11.494 1.00 0.00 C ATOM 1800 OD1 ASN A 113 -18.399 -9.335 12.295 1.00 0.00 O ATOM 1801 ND2 ASN A 113 -17.450 -7.361 11.833 1.00 0.00 N ATOM 0 H ASN A 113 -17.104 -7.330 8.354 1.00 0.00 H new ATOM 0 HA ASN A 113 -17.096 -9.945 9.692 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -18.843 -7.507 9.698 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -19.582 -9.059 10.036 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.104 -7.257 12.787 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -17.260 -6.637 11.140 1.00 0.00 H new