USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 638 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 30 CYS SG : rot 25:sc= -1.24 USER MOD Set 1.2: A 79 CYS SG : rot -60:sc= -0.852 USER MOD Set 2.1: A 41 LYS NZ :NH3+ -124:sc= -0.0498 (180deg=0) USER MOD Set 2.2: A 80 MET CE :methyl 176:sc= -1.35 (180deg=-1.47!) USER MOD Single : A 12 THR OG1 : rot 115:sc= -0.202 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0118) USER MOD Single : A 17 THR OG1 : rot 51:sc= -0.343 USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= -0.132 (180deg=-0.553) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0343 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0323) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.934 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 1.19 K(o=1.2,f=-0.17) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 160:sc= 0 USER MOD Single : A 65 GLN : amide:sc=0.000563 K(o=0.00056,f=-0.92) USER MOD Single : A 67 HIS : no HE2:sc= -0.173 X(o=-0.17,f=-0.45) USER MOD Single : A 70 SER OG : rot 34:sc= 0.43 USER MOD Single : A 77 TYR OH : rot -48:sc= 1.3 USER MOD Single : A 78 SER OG : rot 57:sc= 0.638 USER MOD Single : A 81 CYS SG : rot -113:sc= -2.89! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 86 THR OG1 : rot 100:sc= 0.698 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 11.429 24.014 -2.748 1.00 0.00 N ATOM 81 CA ALA A 9 11.004 23.423 -1.485 1.00 0.00 C ATOM 82 C ALA A 9 11.895 22.246 -1.102 1.00 0.00 C ATOM 83 O ALA A 9 12.500 21.607 -1.963 1.00 0.00 O ATOM 84 CB ALA A 9 9.551 22.981 -1.573 1.00 0.00 C ATOM 0 HA ALA A 9 11.096 24.182 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.246 22.541 -0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.921 23.843 -1.793 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.443 22.241 -2.366 1.00 0.00 H new ATOM 90 N ARG A 10 11.971 21.965 0.194 1.00 0.00 N ATOM 91 CA ARG A 10 12.790 20.866 0.691 1.00 0.00 C ATOM 92 C ARG A 10 12.010 20.015 1.689 1.00 0.00 C ATOM 93 O ARG A 10 10.905 20.373 2.096 1.00 0.00 O ATOM 94 CB ARG A 10 14.061 21.406 1.350 1.00 0.00 C ATOM 95 CG ARG A 10 13.793 22.424 2.446 1.00 0.00 C ATOM 96 CD ARG A 10 13.621 21.753 3.800 1.00 0.00 C ATOM 97 NE ARG A 10 14.885 21.237 4.319 1.00 0.00 N ATOM 98 CZ ARG A 10 15.059 20.850 5.578 1.00 0.00 C ATOM 99 NH1 ARG A 10 14.055 20.920 6.441 1.00 0.00 N ATOM 100 NH2 ARG A 10 16.239 20.392 5.976 1.00 0.00 N ATOM 0 H ARG A 10 11.475 22.483 0.919 1.00 0.00 H new ATOM 0 HA ARG A 10 13.066 20.240 -0.157 1.00 0.00 H new ATOM 0 HB2 ARG A 10 14.625 20.573 1.770 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.690 21.864 0.586 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.618 23.135 2.493 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.895 22.993 2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.203 22.468 4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.905 20.936 3.712 1.00 0.00 H new ATOM 0 HE ARG A 10 15.677 21.170 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.146 21.272 6.139 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.191 20.622 7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.014 20.337 5.315 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.371 20.095 6.943 1.00 0.00 H new ATOM 114 N PHE A 11 12.592 18.885 2.077 1.00 0.00 N ATOM 115 CA PHE A 11 11.951 17.982 3.026 1.00 0.00 C ATOM 116 C PHE A 11 12.344 18.330 4.459 1.00 0.00 C ATOM 117 O PHE A 11 13.496 18.664 4.736 1.00 0.00 O ATOM 118 CB PHE A 11 12.332 16.532 2.718 1.00 0.00 C ATOM 119 CG PHE A 11 11.739 16.014 1.439 1.00 0.00 C ATOM 120 CD1 PHE A 11 12.388 16.210 0.231 1.00 0.00 C ATOM 121 CD2 PHE A 11 10.533 15.332 1.446 1.00 0.00 C ATOM 122 CE1 PHE A 11 11.844 15.735 -0.948 1.00 0.00 C ATOM 123 CE2 PHE A 11 9.984 14.855 0.271 1.00 0.00 C ATOM 124 CZ PHE A 11 10.641 15.056 -0.928 1.00 0.00 C ATOM 0 H PHE A 11 13.506 18.573 1.749 1.00 0.00 H new ATOM 0 HA PHE A 11 10.872 18.096 2.927 1.00 0.00 H new ATOM 0 HB2 PHE A 11 13.418 16.454 2.663 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.008 15.897 3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.329 16.740 0.210 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.016 15.171 2.381 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.359 15.895 -1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.043 14.326 0.290 1.00 0.00 H new ATOM 0 HZ PHE A 11 10.215 14.683 -1.848 1.00 0.00 H new ATOM 134 N THR A 12 11.376 18.249 5.367 1.00 0.00 N ATOM 135 CA THR A 12 11.618 18.557 6.771 1.00 0.00 C ATOM 136 C THR A 12 11.533 17.302 7.631 1.00 0.00 C ATOM 137 O THR A 12 11.958 17.301 8.786 1.00 0.00 O ATOM 138 CB THR A 12 10.612 19.597 7.299 1.00 0.00 C ATOM 139 OG1 THR A 12 9.319 18.999 7.442 1.00 0.00 O ATOM 140 CG2 THR A 12 10.524 20.791 6.360 1.00 0.00 C ATOM 0 H THR A 12 10.417 17.973 5.155 1.00 0.00 H new ATOM 0 HA THR A 12 12.624 18.971 6.835 1.00 0.00 H new ATOM 0 HB THR A 12 10.960 19.945 8.271 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.070 18.981 8.390 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.807 21.512 6.754 1.00 0.00 H new ATOM 0 HG22 THR A 12 11.504 21.262 6.277 1.00 0.00 H new ATOM 0 HG23 THR A 12 10.198 20.456 5.375 1.00 0.00 H new ATOM 148 N GLN A 13 10.982 16.235 7.061 1.00 0.00 N ATOM 149 CA GLN A 13 10.842 14.973 7.778 1.00 0.00 C ATOM 150 C GLN A 13 11.031 13.788 6.836 1.00 0.00 C ATOM 151 O GLN A 13 10.222 13.564 5.935 1.00 0.00 O ATOM 152 CB GLN A 13 9.470 14.893 8.449 1.00 0.00 C ATOM 153 CG GLN A 13 9.451 15.450 9.863 1.00 0.00 C ATOM 154 CD GLN A 13 8.327 14.875 10.702 1.00 0.00 C ATOM 155 OE1 GLN A 13 7.254 14.558 10.189 1.00 0.00 O ATOM 156 NE2 GLN A 13 8.568 14.737 12.001 1.00 0.00 N ATOM 0 H GLN A 13 10.626 16.219 6.105 1.00 0.00 H new ATOM 0 HA GLN A 13 11.616 14.931 8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.746 15.438 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.147 13.852 8.473 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.405 15.238 10.346 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.350 16.534 9.821 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.472 15.013 12.384 1.00 0.00 H new ATOM 0 HE22 GLN A 13 7.849 14.355 12.615 1.00 0.00 H new ATOM 165 N ASP A 14 12.103 13.034 7.050 1.00 0.00 N ATOM 166 CA ASP A 14 12.398 11.871 6.220 1.00 0.00 C ATOM 167 C ASP A 14 11.126 11.087 5.913 1.00 0.00 C ATOM 168 O ASP A 14 10.358 10.750 6.815 1.00 0.00 O ATOM 169 CB ASP A 14 13.414 10.965 6.916 1.00 0.00 C ATOM 170 CG ASP A 14 13.112 10.782 8.391 1.00 0.00 C ATOM 171 OD1 ASP A 14 12.040 10.229 8.713 1.00 0.00 O ATOM 172 OD2 ASP A 14 13.949 11.191 9.223 1.00 0.00 O ATOM 0 H ASP A 14 12.782 13.207 7.791 1.00 0.00 H new ATOM 0 HA ASP A 14 12.822 12.224 5.280 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.423 9.991 6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 14 14.412 11.388 6.802 1.00 0.00 H new ATOM 177 N LEU A 15 10.909 10.799 4.634 1.00 0.00 N ATOM 178 CA LEU A 15 9.729 10.055 4.206 1.00 0.00 C ATOM 179 C LEU A 15 9.348 8.999 5.239 1.00 0.00 C ATOM 180 O LEU A 15 10.213 8.378 5.857 1.00 0.00 O ATOM 181 CB LEU A 15 9.983 9.392 2.852 1.00 0.00 C ATOM 182 CG LEU A 15 8.757 9.201 1.958 1.00 0.00 C ATOM 183 CD1 LEU A 15 9.180 8.827 0.545 1.00 0.00 C ATOM 184 CD2 LEU A 15 7.834 8.139 2.538 1.00 0.00 C ATOM 0 H LEU A 15 11.535 11.069 3.875 1.00 0.00 H new ATOM 0 HA LEU A 15 8.902 10.758 4.109 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.715 9.990 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.436 8.416 3.027 1.00 0.00 H new ATOM 0 HG LEU A 15 8.212 10.144 1.915 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.295 8.695 -0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.801 9.621 0.129 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.748 7.897 0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.967 8.016 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.369 7.192 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.504 8.447 3.530 1.00 0.00 H new ATOM 196 N LYS A 16 8.047 8.799 5.420 1.00 0.00 N ATOM 197 CA LYS A 16 7.549 7.815 6.374 1.00 0.00 C ATOM 198 C LYS A 16 6.821 6.682 5.658 1.00 0.00 C ATOM 199 O LYS A 16 6.126 6.905 4.667 1.00 0.00 O ATOM 200 CB LYS A 16 6.610 8.482 7.382 1.00 0.00 C ATOM 201 CG LYS A 16 6.344 7.637 8.616 1.00 0.00 C ATOM 202 CD LYS A 16 5.173 6.693 8.403 1.00 0.00 C ATOM 203 CE LYS A 16 3.845 7.436 8.432 1.00 0.00 C ATOM 204 NZ LYS A 16 3.437 7.789 9.820 1.00 0.00 N ATOM 0 H LYS A 16 7.318 9.306 4.918 1.00 0.00 H new ATOM 0 HA LYS A 16 8.404 7.395 6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.039 9.435 7.690 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.662 8.703 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.236 7.062 8.863 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.138 8.287 9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.285 6.183 7.446 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.178 5.925 9.176 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.924 8.344 7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.073 6.818 7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.497 8.233 9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 3.403 6.927 10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.126 8.453 10.226 1.00 0.00 H new ATOM 218 N THR A 17 6.984 5.465 6.168 1.00 0.00 N ATOM 219 CA THR A 17 6.342 4.297 5.578 1.00 0.00 C ATOM 220 C THR A 17 5.743 3.397 6.652 1.00 0.00 C ATOM 221 O THR A 17 6.026 3.557 7.840 1.00 0.00 O ATOM 222 CB THR A 17 7.335 3.477 4.733 1.00 0.00 C ATOM 223 OG1 THR A 17 6.670 2.351 4.150 1.00 0.00 O ATOM 224 CG2 THR A 17 8.502 2.998 5.583 1.00 0.00 C ATOM 0 H THR A 17 7.555 5.263 6.988 1.00 0.00 H new ATOM 0 HA THR A 17 5.546 4.667 4.932 1.00 0.00 H new ATOM 0 HB THR A 17 7.721 4.120 3.942 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.856 2.652 3.695 1.00 0.00 H new ATOM 0 HG21 THR A 17 9.190 2.421 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.024 3.858 6.002 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.129 2.371 6.393 1.00 0.00 H new ATOM 232 N LYS A 18 4.913 2.449 6.229 1.00 0.00 N ATOM 233 CA LYS A 18 4.275 1.521 7.154 1.00 0.00 C ATOM 234 C LYS A 18 4.411 0.083 6.663 1.00 0.00 C ATOM 235 O LYS A 18 4.640 -0.158 5.479 1.00 0.00 O ATOM 236 CB LYS A 18 2.796 1.875 7.325 1.00 0.00 C ATOM 237 CG LYS A 18 1.959 1.606 6.086 1.00 0.00 C ATOM 238 CD LYS A 18 1.422 0.185 6.073 1.00 0.00 C ATOM 239 CE LYS A 18 0.075 0.092 6.774 1.00 0.00 C ATOM 240 NZ LYS A 18 -0.977 0.866 6.059 1.00 0.00 N ATOM 0 H LYS A 18 4.667 2.304 5.250 1.00 0.00 H new ATOM 0 HA LYS A 18 4.777 1.606 8.118 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.389 1.304 8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.711 2.929 7.589 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.128 2.310 6.047 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.562 1.776 5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.322 -0.158 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.135 -0.479 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.227 -0.953 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.170 0.465 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.909 0.447 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.966 1.853 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.792 0.840 5.036 1.00 0.00 H new ATOM 254 N GLU A 19 4.266 -0.867 7.582 1.00 0.00 N ATOM 255 CA GLU A 19 4.373 -2.281 7.240 1.00 0.00 C ATOM 256 C GLU A 19 2.991 -2.905 7.069 1.00 0.00 C ATOM 257 O GLU A 19 2.237 -3.043 8.032 1.00 0.00 O ATOM 258 CB GLU A 19 5.153 -3.032 8.321 1.00 0.00 C ATOM 259 CG GLU A 19 4.807 -4.509 8.406 1.00 0.00 C ATOM 260 CD GLU A 19 3.669 -4.788 9.368 1.00 0.00 C ATOM 261 OE1 GLU A 19 3.429 -3.950 10.262 1.00 0.00 O ATOM 262 OE2 GLU A 19 3.018 -5.844 9.227 1.00 0.00 O ATOM 0 H GLU A 19 4.075 -0.684 8.567 1.00 0.00 H new ATOM 0 HA GLU A 19 4.909 -2.360 6.294 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.220 -2.928 8.125 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.959 -2.566 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.537 -4.872 7.415 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.689 -5.067 8.721 1.00 0.00 H new ATOM 269 N ALA A 20 2.666 -3.278 5.836 1.00 0.00 N ATOM 270 CA ALA A 20 1.376 -3.888 5.537 1.00 0.00 C ATOM 271 C ALA A 20 1.552 -5.279 4.938 1.00 0.00 C ATOM 272 O ALA A 20 2.646 -5.647 4.509 1.00 0.00 O ATOM 273 CB ALA A 20 0.578 -3.002 4.593 1.00 0.00 C ATOM 0 H ALA A 20 3.278 -3.169 5.028 1.00 0.00 H new ATOM 0 HA ALA A 20 0.826 -3.991 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.383 -3.471 4.379 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.412 -2.031 5.059 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.132 -2.869 3.664 1.00 0.00 H new ATOM 279 N SER A 21 0.469 -6.049 4.911 1.00 0.00 N ATOM 280 CA SER A 21 0.505 -7.402 4.368 1.00 0.00 C ATOM 281 C SER A 21 0.082 -7.410 2.902 1.00 0.00 C ATOM 282 O SER A 21 -0.389 -6.403 2.376 1.00 0.00 O ATOM 283 CB SER A 21 -0.406 -8.325 5.179 1.00 0.00 C ATOM 284 OG SER A 21 0.016 -8.400 6.530 1.00 0.00 O ATOM 0 H SER A 21 -0.445 -5.759 5.259 1.00 0.00 H new ATOM 0 HA SER A 21 1.530 -7.766 4.435 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.432 -7.959 5.135 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.404 -9.322 4.738 1.00 0.00 H new ATOM 0 HG SER A 21 -0.584 -8.995 7.027 1.00 0.00 H new ATOM 290 N GLU A 22 0.254 -8.556 2.250 1.00 0.00 N ATOM 291 CA GLU A 22 -0.109 -8.695 0.844 1.00 0.00 C ATOM 292 C GLU A 22 -1.587 -8.382 0.631 1.00 0.00 C ATOM 293 O GLU A 22 -2.441 -8.796 1.414 1.00 0.00 O ATOM 294 CB GLU A 22 0.199 -10.111 0.353 1.00 0.00 C ATOM 295 CG GLU A 22 1.618 -10.282 -0.161 1.00 0.00 C ATOM 296 CD GLU A 22 1.824 -11.601 -0.880 1.00 0.00 C ATOM 297 OE1 GLU A 22 1.490 -11.679 -2.081 1.00 0.00 O ATOM 298 OE2 GLU A 22 2.319 -12.554 -0.243 1.00 0.00 O ATOM 0 H GLU A 22 0.642 -9.400 2.672 1.00 0.00 H new ATOM 0 HA GLU A 22 0.483 -7.982 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.030 -10.814 1.169 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.500 -10.371 -0.442 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.856 -9.462 -0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 22 2.314 -10.216 0.676 1.00 0.00 H new ATOM 305 N GLY A 23 -1.882 -7.646 -0.437 1.00 0.00 N ATOM 306 CA GLY A 23 -3.257 -7.288 -0.735 1.00 0.00 C ATOM 307 C GLY A 23 -3.689 -6.014 -0.036 1.00 0.00 C ATOM 308 O GLY A 23 -4.650 -5.367 -0.449 1.00 0.00 O ATOM 0 H GLY A 23 -1.193 -7.291 -1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.372 -7.165 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.915 -8.104 -0.436 1.00 0.00 H new ATOM 312 N ALA A 24 -2.977 -5.654 1.028 1.00 0.00 N ATOM 313 CA ALA A 24 -3.293 -4.450 1.785 1.00 0.00 C ATOM 314 C ALA A 24 -2.885 -3.196 1.019 1.00 0.00 C ATOM 315 O ALA A 24 -2.431 -3.274 -0.124 1.00 0.00 O ATOM 316 CB ALA A 24 -2.607 -4.486 3.143 1.00 0.00 C ATOM 0 H ALA A 24 -2.178 -6.179 1.384 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.372 -4.418 1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.852 -3.580 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.950 -5.357 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.528 -4.546 3.004 1.00 0.00 H new ATOM 322 N THR A 25 -3.050 -2.040 1.653 1.00 0.00 N ATOM 323 CA THR A 25 -2.701 -0.769 1.030 1.00 0.00 C ATOM 324 C THR A 25 -1.674 -0.012 1.864 1.00 0.00 C ATOM 325 O THR A 25 -1.963 0.419 2.980 1.00 0.00 O ATOM 326 CB THR A 25 -3.943 0.120 0.833 1.00 0.00 C ATOM 327 OG1 THR A 25 -4.984 -0.627 0.194 1.00 0.00 O ATOM 328 CG2 THR A 25 -3.605 1.345 -0.002 1.00 0.00 C ATOM 0 H THR A 25 -3.424 -1.957 2.599 1.00 0.00 H new ATOM 0 HA THR A 25 -2.273 -1.002 0.055 1.00 0.00 H new ATOM 0 HB THR A 25 -4.284 0.452 1.814 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.771 -0.055 0.074 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.498 1.957 -0.128 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.833 1.927 0.502 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.241 1.030 -0.980 1.00 0.00 H new ATOM 336 N ALA A 26 -0.475 0.149 1.314 1.00 0.00 N ATOM 337 CA ALA A 26 0.594 0.857 2.007 1.00 0.00 C ATOM 338 C ALA A 26 0.351 2.363 1.997 1.00 0.00 C ATOM 339 O ALA A 26 0.055 2.948 0.954 1.00 0.00 O ATOM 340 CB ALA A 26 1.939 0.533 1.374 1.00 0.00 C ATOM 0 H ALA A 26 -0.220 -0.201 0.391 1.00 0.00 H new ATOM 0 HA ALA A 26 0.604 0.524 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.728 1.069 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.123 -0.539 1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.931 0.837 0.327 1.00 0.00 H new ATOM 346 N THR A 27 0.478 2.986 3.164 1.00 0.00 N ATOM 347 CA THR A 27 0.271 4.423 3.290 1.00 0.00 C ATOM 348 C THR A 27 1.529 5.118 3.797 1.00 0.00 C ATOM 349 O THR A 27 1.986 4.862 4.912 1.00 0.00 O ATOM 350 CB THR A 27 -0.897 4.741 4.243 1.00 0.00 C ATOM 351 OG1 THR A 27 -2.042 3.956 3.893 1.00 0.00 O ATOM 352 CG2 THR A 27 -1.253 6.219 4.188 1.00 0.00 C ATOM 0 H THR A 27 0.723 2.517 4.036 1.00 0.00 H new ATOM 0 HA THR A 27 0.030 4.796 2.294 1.00 0.00 H new ATOM 0 HB THR A 27 -0.586 4.496 5.258 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.780 4.163 4.504 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.080 6.420 4.869 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.388 6.813 4.483 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.546 6.485 3.173 1.00 0.00 H new ATOM 360 N LEU A 28 2.085 5.999 2.973 1.00 0.00 N ATOM 361 CA LEU A 28 3.292 6.733 3.339 1.00 0.00 C ATOM 362 C LEU A 28 3.005 8.226 3.463 1.00 0.00 C ATOM 363 O LEU A 28 2.104 8.750 2.809 1.00 0.00 O ATOM 364 CB LEU A 28 4.390 6.498 2.300 1.00 0.00 C ATOM 365 CG LEU A 28 4.760 5.038 2.033 1.00 0.00 C ATOM 366 CD1 LEU A 28 3.923 4.474 0.896 1.00 0.00 C ATOM 367 CD2 LEU A 28 6.244 4.913 1.719 1.00 0.00 C ATOM 0 H LEU A 28 1.720 6.223 2.047 1.00 0.00 H new ATOM 0 HA LEU A 28 3.631 6.365 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.075 6.950 1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.287 7.026 2.623 1.00 0.00 H new ATOM 0 HG LEU A 28 4.549 4.460 2.932 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.201 3.435 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.867 4.528 1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.101 5.055 -0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.489 3.868 1.532 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.480 5.505 0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.827 5.277 2.565 1.00 0.00 H new ATOM 379 N GLN A 29 3.779 8.904 4.304 1.00 0.00 N ATOM 380 CA GLN A 29 3.608 10.337 4.512 1.00 0.00 C ATOM 381 C GLN A 29 4.959 11.041 4.589 1.00 0.00 C ATOM 382 O GLN A 29 5.922 10.499 5.134 1.00 0.00 O ATOM 383 CB GLN A 29 2.811 10.597 5.791 1.00 0.00 C ATOM 384 CG GLN A 29 1.352 10.179 5.695 1.00 0.00 C ATOM 385 CD GLN A 29 0.627 10.280 7.022 1.00 0.00 C ATOM 386 OE1 GLN A 29 0.714 11.294 7.715 1.00 0.00 O ATOM 387 NE2 GLN A 29 -0.095 9.226 7.384 1.00 0.00 N ATOM 0 H GLN A 29 4.530 8.485 4.852 1.00 0.00 H new ATOM 0 HA GLN A 29 3.057 10.739 3.661 1.00 0.00 H new ATOM 0 HB2 GLN A 29 3.280 10.062 6.617 1.00 0.00 H new ATOM 0 HB3 GLN A 29 2.861 11.659 6.031 1.00 0.00 H new ATOM 0 HG2 GLN A 29 0.846 10.806 4.961 1.00 0.00 H new ATOM 0 HG3 GLN A 29 1.295 9.153 5.332 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -0.139 8.406 6.779 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.605 9.236 8.267 1.00 0.00 H new ATOM 396 N CYS A 30 5.023 12.249 4.041 1.00 0.00 N ATOM 397 CA CYS A 30 6.257 13.027 4.047 1.00 0.00 C ATOM 398 C CYS A 30 5.964 14.510 4.249 1.00 0.00 C ATOM 399 O CYS A 30 4.968 15.029 3.747 1.00 0.00 O ATOM 400 CB CYS A 30 7.021 12.819 2.739 1.00 0.00 C ATOM 401 SG CYS A 30 6.160 13.438 1.274 1.00 0.00 S ATOM 0 H CYS A 30 4.235 12.711 3.587 1.00 0.00 H new ATOM 0 HA CYS A 30 6.872 12.681 4.878 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.989 13.313 2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.216 11.754 2.610 1.00 0.00 H new ATOM 0 HG CYS A 30 5.332 14.378 1.622 1.00 0.00 H new ATOM 407 N GLU A 31 6.838 15.185 4.989 1.00 0.00 N ATOM 408 CA GLU A 31 6.671 16.608 5.259 1.00 0.00 C ATOM 409 C GLU A 31 7.546 17.445 4.330 1.00 0.00 C ATOM 410 O GLU A 31 8.516 16.947 3.757 1.00 0.00 O ATOM 411 CB GLU A 31 7.015 16.917 6.718 1.00 0.00 C ATOM 412 CG GLU A 31 6.266 18.114 7.280 1.00 0.00 C ATOM 413 CD GLU A 31 6.244 18.128 8.796 1.00 0.00 C ATOM 414 OE1 GLU A 31 7.326 18.265 9.404 1.00 0.00 O ATOM 415 OE2 GLU A 31 5.145 18.002 9.375 1.00 0.00 O ATOM 0 H GLU A 31 7.668 14.770 5.412 1.00 0.00 H new ATOM 0 HA GLU A 31 5.628 16.866 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.793 16.041 7.328 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.087 17.099 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.731 19.031 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.242 18.106 6.905 1.00 0.00 H new ATOM 422 N LEU A 32 7.196 18.719 4.186 1.00 0.00 N ATOM 423 CA LEU A 32 7.948 19.626 3.327 1.00 0.00 C ATOM 424 C LEU A 32 8.046 21.013 3.953 1.00 0.00 C ATOM 425 O LEU A 32 7.240 21.377 4.809 1.00 0.00 O ATOM 426 CB LEU A 32 7.288 19.721 1.950 1.00 0.00 C ATOM 427 CG LEU A 32 7.273 18.435 1.123 1.00 0.00 C ATOM 428 CD1 LEU A 32 6.254 18.535 -0.001 1.00 0.00 C ATOM 429 CD2 LEU A 32 8.659 18.145 0.564 1.00 0.00 C ATOM 0 H LEU A 32 6.396 19.146 4.653 1.00 0.00 H new ATOM 0 HA LEU A 32 8.956 19.227 3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.259 20.055 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 32 7.801 20.493 1.376 1.00 0.00 H new ATOM 0 HG LEU A 32 6.985 17.610 1.774 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.258 17.611 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.262 18.696 0.421 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.511 19.371 -0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.630 17.226 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.975 18.972 -0.073 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.366 18.029 1.386 1.00 0.00 H new ATOM 441 N SER A 33 9.038 21.784 3.518 1.00 0.00 N ATOM 442 CA SER A 33 9.243 23.132 4.037 1.00 0.00 C ATOM 443 C SER A 33 8.095 24.051 3.631 1.00 0.00 C ATOM 444 O SER A 33 7.775 25.012 4.331 1.00 0.00 O ATOM 445 CB SER A 33 10.570 23.700 3.531 1.00 0.00 C ATOM 446 OG SER A 33 10.573 25.116 3.588 1.00 0.00 O ATOM 0 H SER A 33 9.712 21.499 2.808 1.00 0.00 H new ATOM 0 HA SER A 33 9.272 23.075 5.125 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.390 23.307 4.132 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.741 23.374 2.505 1.00 0.00 H new ATOM 0 HG SER A 33 11.432 25.455 3.261 1.00 0.00 H new ATOM 452 N LYS A 34 7.477 23.748 2.494 1.00 0.00 N ATOM 453 CA LYS A 34 6.364 24.544 1.992 1.00 0.00 C ATOM 454 C LYS A 34 5.620 23.803 0.886 1.00 0.00 C ATOM 455 O LYS A 34 6.109 22.805 0.356 1.00 0.00 O ATOM 456 CB LYS A 34 6.868 25.891 1.468 1.00 0.00 C ATOM 457 CG LYS A 34 7.825 25.767 0.295 1.00 0.00 C ATOM 458 CD LYS A 34 8.018 27.100 -0.409 1.00 0.00 C ATOM 459 CE LYS A 34 9.022 26.989 -1.546 1.00 0.00 C ATOM 460 NZ LYS A 34 8.945 28.154 -2.470 1.00 0.00 N ATOM 0 H LYS A 34 7.729 22.956 1.903 1.00 0.00 H new ATOM 0 HA LYS A 34 5.673 24.717 2.817 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.014 26.497 1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 34 7.366 26.423 2.278 1.00 0.00 H new ATOM 0 HG2 LYS A 34 8.788 25.397 0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.441 25.032 -0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.062 27.448 -0.799 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.360 27.846 0.309 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.029 26.917 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.839 26.071 -2.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.645 28.040 -3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.992 28.208 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.145 29.028 -1.944 1.00 0.00 H new ATOM 474 N VAL A 35 4.435 24.298 0.541 1.00 0.00 N ATOM 475 CA VAL A 35 3.625 23.684 -0.504 1.00 0.00 C ATOM 476 C VAL A 35 4.375 23.648 -1.831 1.00 0.00 C ATOM 477 O VAL A 35 4.672 24.689 -2.416 1.00 0.00 O ATOM 478 CB VAL A 35 2.295 24.436 -0.698 1.00 0.00 C ATOM 479 CG1 VAL A 35 1.453 23.764 -1.772 1.00 0.00 C ATOM 480 CG2 VAL A 35 1.533 24.517 0.616 1.00 0.00 C ATOM 0 H VAL A 35 4.015 25.123 0.970 1.00 0.00 H new ATOM 0 HA VAL A 35 3.413 22.664 -0.182 1.00 0.00 H new ATOM 0 HB VAL A 35 2.516 25.451 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.517 24.309 -1.895 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.999 23.763 -2.715 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.238 22.737 -1.476 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.596 25.051 0.461 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.321 23.510 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.135 25.047 1.354 1.00 0.00 H new ATOM 490 N ALA A 36 4.677 22.442 -2.301 1.00 0.00 N ATOM 491 CA ALA A 36 5.390 22.271 -3.561 1.00 0.00 C ATOM 492 C ALA A 36 5.070 20.920 -4.193 1.00 0.00 C ATOM 493 O ALA A 36 4.819 19.930 -3.506 1.00 0.00 O ATOM 494 CB ALA A 36 6.889 22.411 -3.343 1.00 0.00 C ATOM 0 H ALA A 36 4.439 21.570 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 36 5.059 23.052 -4.246 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.408 22.281 -4.292 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.108 23.401 -2.942 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.227 21.652 -2.638 1.00 0.00 H new ATOM 500 N PRO A 37 5.078 20.877 -5.534 1.00 0.00 N ATOM 501 CA PRO A 37 4.790 19.653 -6.288 1.00 0.00 C ATOM 502 C PRO A 37 5.897 18.614 -6.150 1.00 0.00 C ATOM 503 O PRO A 37 7.082 18.941 -6.217 1.00 0.00 O ATOM 504 CB PRO A 37 4.693 20.143 -7.735 1.00 0.00 C ATOM 505 CG PRO A 37 5.517 21.383 -7.771 1.00 0.00 C ATOM 506 CD PRO A 37 5.368 22.019 -6.417 1.00 0.00 C ATOM 0 HA PRO A 37 3.888 19.156 -5.931 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.072 19.396 -8.432 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.660 20.346 -8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.561 21.152 -7.981 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.176 22.056 -8.558 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.277 22.540 -6.115 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.561 22.752 -6.404 1.00 0.00 H new ATOM 514 N VAL A 38 5.504 17.358 -5.958 1.00 0.00 N ATOM 515 CA VAL A 38 6.463 16.270 -5.812 1.00 0.00 C ATOM 516 C VAL A 38 6.194 15.161 -6.823 1.00 0.00 C ATOM 517 O VAL A 38 5.311 15.283 -7.671 1.00 0.00 O ATOM 518 CB VAL A 38 6.427 15.676 -4.392 1.00 0.00 C ATOM 519 CG1 VAL A 38 6.703 16.753 -3.355 1.00 0.00 C ATOM 520 CG2 VAL A 38 5.087 15.003 -4.131 1.00 0.00 C ATOM 0 H VAL A 38 4.527 17.069 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 38 7.451 16.692 -5.995 1.00 0.00 H new ATOM 0 HB VAL A 38 7.209 14.921 -4.312 1.00 0.00 H new ATOM 0 HG11 VAL A 38 6.673 16.314 -2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.688 17.185 -3.532 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.946 17.533 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.078 14.588 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.286 15.736 -4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.935 14.202 -4.854 1.00 0.00 H new ATOM 530 N GLU A 39 6.961 14.080 -6.725 1.00 0.00 N ATOM 531 CA GLU A 39 6.804 12.949 -7.632 1.00 0.00 C ATOM 532 C GLU A 39 7.300 11.659 -6.984 1.00 0.00 C ATOM 533 O GLU A 39 8.495 11.498 -6.733 1.00 0.00 O ATOM 534 CB GLU A 39 7.564 13.202 -8.936 1.00 0.00 C ATOM 535 CG GLU A 39 7.432 12.076 -9.946 1.00 0.00 C ATOM 536 CD GLU A 39 8.167 12.364 -11.241 1.00 0.00 C ATOM 537 OE1 GLU A 39 7.573 13.015 -12.127 1.00 0.00 O ATOM 538 OE2 GLU A 39 9.334 11.940 -11.369 1.00 0.00 O ATOM 0 H GLU A 39 7.696 13.963 -6.028 1.00 0.00 H new ATOM 0 HA GLU A 39 5.742 12.840 -7.854 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.200 14.126 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.619 13.352 -8.708 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.819 11.155 -9.510 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.377 11.908 -10.161 1.00 0.00 H new ATOM 545 N TRP A 40 6.375 10.745 -6.716 1.00 0.00 N ATOM 546 CA TRP A 40 6.718 9.470 -6.097 1.00 0.00 C ATOM 547 C TRP A 40 7.380 8.536 -7.104 1.00 0.00 C ATOM 548 O TRP A 40 6.955 8.446 -8.256 1.00 0.00 O ATOM 549 CB TRP A 40 5.466 8.809 -5.517 1.00 0.00 C ATOM 550 CG TRP A 40 4.783 9.642 -4.475 1.00 0.00 C ATOM 551 CD1 TRP A 40 3.938 10.693 -4.691 1.00 0.00 C ATOM 552 CD2 TRP A 40 4.890 9.495 -3.055 1.00 0.00 C ATOM 553 NE1 TRP A 40 3.512 11.208 -3.490 1.00 0.00 N ATOM 554 CE2 TRP A 40 4.081 10.490 -2.471 1.00 0.00 C ATOM 555 CE3 TRP A 40 5.588 8.619 -2.219 1.00 0.00 C ATOM 556 CZ2 TRP A 40 3.954 10.632 -1.092 1.00 0.00 C ATOM 557 CZ3 TRP A 40 5.461 8.761 -0.850 1.00 0.00 C ATOM 558 CH2 TRP A 40 4.649 9.760 -0.298 1.00 0.00 C ATOM 0 H TRP A 40 5.382 10.863 -6.917 1.00 0.00 H new ATOM 0 HA TRP A 40 7.425 9.664 -5.291 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.764 8.604 -6.326 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.740 7.848 -5.082 1.00 0.00 H new ATOM 0 HD1 TRP A 40 3.647 11.065 -5.662 1.00 0.00 H new ATOM 0 HE1 TRP A 40 2.875 11.997 -3.376 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.215 7.845 -2.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 3.330 11.402 -0.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.997 8.090 -0.195 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.570 9.844 0.776 1.00 0.00 H new ATOM 569 N LYS A 41 8.425 7.843 -6.663 1.00 0.00 N ATOM 570 CA LYS A 41 9.146 6.914 -7.525 1.00 0.00 C ATOM 571 C LYS A 41 9.383 5.585 -6.816 1.00 0.00 C ATOM 572 O LYS A 41 9.606 5.547 -5.605 1.00 0.00 O ATOM 573 CB LYS A 41 10.483 7.520 -7.956 1.00 0.00 C ATOM 574 CG LYS A 41 10.405 8.307 -9.253 1.00 0.00 C ATOM 575 CD LYS A 41 11.717 8.252 -10.019 1.00 0.00 C ATOM 576 CE LYS A 41 11.663 9.104 -11.278 1.00 0.00 C ATOM 577 NZ LYS A 41 13.024 9.481 -11.751 1.00 0.00 N ATOM 0 H LYS A 41 8.791 7.907 -5.713 1.00 0.00 H new ATOM 0 HA LYS A 41 8.536 6.729 -8.409 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.847 8.175 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.215 6.720 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 41 9.603 7.908 -9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.153 9.345 -9.035 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.528 8.598 -9.379 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.940 7.219 -10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.144 8.557 -12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 41 11.084 10.006 -11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.092 10.516 -11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.735 9.134 -11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 13.197 9.056 -12.684 1.00 0.00 H new ATOM 591 N LYS A 42 9.335 4.497 -7.576 1.00 0.00 N ATOM 592 CA LYS A 42 9.547 3.165 -7.021 1.00 0.00 C ATOM 593 C LYS A 42 10.834 2.549 -7.561 1.00 0.00 C ATOM 594 O LYS A 42 11.017 1.333 -7.521 1.00 0.00 O ATOM 595 CB LYS A 42 8.359 2.258 -7.349 1.00 0.00 C ATOM 596 CG LYS A 42 8.404 0.916 -6.638 1.00 0.00 C ATOM 597 CD LYS A 42 7.051 0.226 -6.664 1.00 0.00 C ATOM 598 CE LYS A 42 7.197 -1.288 -6.651 1.00 0.00 C ATOM 599 NZ LYS A 42 6.067 -1.960 -7.350 1.00 0.00 N ATOM 0 H LYS A 42 9.151 4.511 -8.579 1.00 0.00 H new ATOM 0 HA LYS A 42 9.636 3.260 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.436 2.771 -7.080 1.00 0.00 H new ATOM 0 HB3 LYS A 42 8.328 2.089 -8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 42 9.149 0.277 -7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.720 1.061 -5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.463 0.543 -5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.502 0.532 -7.555 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.136 -1.566 -7.128 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.247 -1.639 -5.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.168 -2.991 -7.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.167 -1.662 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.076 -1.697 -8.356 1.00 0.00 H new ATOM 613 N GLY A 43 11.725 3.398 -8.065 1.00 0.00 N ATOM 614 CA GLY A 43 12.985 2.919 -8.604 1.00 0.00 C ATOM 615 C GLY A 43 13.443 3.720 -9.806 1.00 0.00 C ATOM 616 O GLY A 43 13.249 4.934 -9.880 1.00 0.00 O ATOM 0 H GLY A 43 11.597 4.409 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 43 13.749 2.965 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.881 1.872 -8.887 1.00 0.00 H new ATOM 620 N PRO A 44 14.070 3.036 -10.774 1.00 0.00 N ATOM 621 CA PRO A 44 14.572 3.673 -11.995 1.00 0.00 C ATOM 622 C PRO A 44 13.446 4.133 -12.914 1.00 0.00 C ATOM 623 O PRO A 44 13.693 4.621 -14.016 1.00 0.00 O ATOM 624 CB PRO A 44 15.388 2.563 -12.664 1.00 0.00 C ATOM 625 CG PRO A 44 14.794 1.296 -12.154 1.00 0.00 C ATOM 626 CD PRO A 44 14.336 1.588 -10.752 1.00 0.00 C ATOM 0 HA PRO A 44 15.147 4.573 -11.778 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.321 2.622 -13.750 1.00 0.00 H new ATOM 0 HB3 PRO A 44 16.444 2.637 -12.405 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.960 0.977 -12.779 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.527 0.489 -12.165 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.442 1.019 -10.495 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.100 1.331 -10.018 1.00 0.00 H new ATOM 634 N GLU A 45 12.209 3.974 -12.453 1.00 0.00 N ATOM 635 CA GLU A 45 11.045 4.374 -13.235 1.00 0.00 C ATOM 636 C GLU A 45 10.258 5.467 -12.519 1.00 0.00 C ATOM 637 O GLU A 45 10.597 5.865 -11.404 1.00 0.00 O ATOM 638 CB GLU A 45 10.141 3.168 -13.498 1.00 0.00 C ATOM 639 CG GLU A 45 10.473 2.427 -14.782 1.00 0.00 C ATOM 640 CD GLU A 45 10.149 0.948 -14.702 1.00 0.00 C ATOM 641 OE1 GLU A 45 10.447 0.331 -13.658 1.00 0.00 O ATOM 642 OE2 GLU A 45 9.599 0.406 -15.684 1.00 0.00 O ATOM 0 H GLU A 45 11.987 3.571 -11.542 1.00 0.00 H new ATOM 0 HA GLU A 45 11.398 4.769 -14.188 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.219 2.477 -12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 45 9.105 3.504 -13.540 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.919 2.872 -15.608 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.533 2.552 -15.005 1.00 0.00 H new ATOM 649 N THR A 46 9.204 5.951 -13.168 1.00 0.00 N ATOM 650 CA THR A 46 8.368 7.000 -12.596 1.00 0.00 C ATOM 651 C THR A 46 6.920 6.542 -12.472 1.00 0.00 C ATOM 652 O THR A 46 6.459 5.692 -13.235 1.00 0.00 O ATOM 653 CB THR A 46 8.418 8.284 -13.445 1.00 0.00 C ATOM 654 OG1 THR A 46 9.768 8.561 -13.836 1.00 0.00 O ATOM 655 CG2 THR A 46 7.857 9.467 -12.671 1.00 0.00 C ATOM 0 H THR A 46 8.908 5.633 -14.091 1.00 0.00 H new ATOM 0 HA THR A 46 8.765 7.214 -11.604 1.00 0.00 H new ATOM 0 HB THR A 46 7.807 8.129 -14.334 1.00 0.00 H new ATOM 0 HG1 THR A 46 9.791 9.378 -14.377 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.903 10.362 -13.291 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.821 9.266 -12.400 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.445 9.622 -11.766 1.00 0.00 H new ATOM 663 N LEU A 47 6.205 7.110 -11.507 1.00 0.00 N ATOM 664 CA LEU A 47 4.807 6.761 -11.283 1.00 0.00 C ATOM 665 C LEU A 47 3.906 7.979 -11.461 1.00 0.00 C ATOM 666 O LEU A 47 4.374 9.063 -11.808 1.00 0.00 O ATOM 667 CB LEU A 47 4.624 6.178 -9.880 1.00 0.00 C ATOM 668 CG LEU A 47 5.548 5.017 -9.510 1.00 0.00 C ATOM 669 CD1 LEU A 47 5.645 4.873 -7.999 1.00 0.00 C ATOM 670 CD2 LEU A 47 5.056 3.722 -10.141 1.00 0.00 C ATOM 0 H LEU A 47 6.571 7.815 -10.867 1.00 0.00 H new ATOM 0 HA LEU A 47 4.523 6.011 -12.021 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.770 6.978 -9.154 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.592 5.841 -9.780 1.00 0.00 H new ATOM 0 HG LEU A 47 6.544 5.232 -9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.307 4.042 -7.754 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.044 5.793 -7.571 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.654 4.681 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.725 2.907 -9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.050 3.502 -9.783 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.039 3.829 -11.226 1.00 0.00 H new ATOM 682 N ARG A 48 2.613 7.792 -11.220 1.00 0.00 N ATOM 683 CA ARG A 48 1.646 8.875 -11.353 1.00 0.00 C ATOM 684 C ARG A 48 0.460 8.664 -10.418 1.00 0.00 C ATOM 685 O ARG A 48 0.432 7.710 -9.640 1.00 0.00 O ATOM 686 CB ARG A 48 1.158 8.977 -12.799 1.00 0.00 C ATOM 687 CG ARG A 48 1.992 9.912 -13.660 1.00 0.00 C ATOM 688 CD ARG A 48 1.556 11.359 -13.494 1.00 0.00 C ATOM 689 NE ARG A 48 0.335 11.652 -14.240 1.00 0.00 N ATOM 690 CZ ARG A 48 -0.195 12.867 -14.334 1.00 0.00 C ATOM 691 NH1 ARG A 48 0.386 13.896 -13.732 1.00 0.00 N ATOM 692 NH2 ARG A 48 -1.308 13.054 -15.031 1.00 0.00 N ATOM 0 H ARG A 48 2.210 6.900 -10.931 1.00 0.00 H new ATOM 0 HA ARG A 48 2.142 9.806 -11.078 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.164 7.983 -13.246 1.00 0.00 H new ATOM 0 HB3 ARG A 48 0.124 9.321 -12.801 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.044 9.815 -13.391 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.902 9.622 -14.707 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.394 11.570 -12.437 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.355 12.019 -13.832 1.00 0.00 H new ATOM 0 HE ARG A 48 -0.137 10.882 -14.715 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.242 13.756 -13.195 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.023 14.827 -13.806 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.758 12.265 -15.495 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.714 13.987 -15.103 1.00 0.00 H new ATOM 706 N ASP A 49 -0.518 9.559 -10.499 1.00 0.00 N ATOM 707 CA ASP A 49 -1.708 9.470 -9.660 1.00 0.00 C ATOM 708 C ASP A 49 -2.932 9.096 -10.491 1.00 0.00 C ATOM 709 O ASP A 49 -3.459 9.916 -11.242 1.00 0.00 O ATOM 710 CB ASP A 49 -1.951 10.798 -8.941 1.00 0.00 C ATOM 711 CG ASP A 49 -3.326 10.869 -8.306 1.00 0.00 C ATOM 712 OD1 ASP A 49 -4.286 11.246 -9.011 1.00 0.00 O ATOM 713 OD2 ASP A 49 -3.443 10.549 -7.104 1.00 0.00 O ATOM 0 H ASP A 49 -0.511 10.355 -11.137 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.542 8.689 -8.918 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.191 10.936 -8.172 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.839 11.618 -9.650 1.00 0.00 H new ATOM 756 N TYR A 53 -2.195 3.317 -7.707 1.00 0.00 N ATOM 757 CA TYR A 53 -1.458 4.314 -6.941 1.00 0.00 C ATOM 758 C TYR A 53 -2.313 5.553 -6.695 1.00 0.00 C ATOM 759 O TYR A 53 -2.726 6.233 -7.634 1.00 0.00 O ATOM 760 CB TYR A 53 -0.174 4.705 -7.675 1.00 0.00 C ATOM 761 CG TYR A 53 0.768 3.545 -7.907 1.00 0.00 C ATOM 762 CD1 TYR A 53 1.389 2.905 -6.841 1.00 0.00 C ATOM 763 CD2 TYR A 53 1.037 3.089 -9.192 1.00 0.00 C ATOM 764 CE1 TYR A 53 2.251 1.845 -7.048 1.00 0.00 C ATOM 765 CE2 TYR A 53 1.896 2.029 -9.408 1.00 0.00 C ATOM 766 CZ TYR A 53 2.500 1.411 -8.333 1.00 0.00 C ATOM 767 OH TYR A 53 3.358 0.355 -8.545 1.00 0.00 O ATOM 0 HA TYR A 53 -1.199 3.876 -5.977 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.435 5.148 -8.636 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.344 5.473 -7.100 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.195 3.242 -5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.567 3.572 -10.036 1.00 0.00 H new ATOM 0 HE1 TYR A 53 2.727 1.360 -6.209 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.094 1.686 -10.413 1.00 0.00 H new ATOM 0 HH TYR A 53 3.423 0.174 -9.506 1.00 0.00 H new ATOM 777 N SER A 54 -2.574 5.841 -5.423 1.00 0.00 N ATOM 778 CA SER A 54 -3.383 6.996 -5.052 1.00 0.00 C ATOM 779 C SER A 54 -2.631 7.893 -4.073 1.00 0.00 C ATOM 780 O SER A 54 -2.293 7.476 -2.964 1.00 0.00 O ATOM 781 CB SER A 54 -4.705 6.541 -4.432 1.00 0.00 C ATOM 782 OG SER A 54 -5.708 6.393 -5.422 1.00 0.00 O ATOM 0 H SER A 54 -2.237 5.291 -4.633 1.00 0.00 H new ATOM 0 HA SER A 54 -3.592 7.568 -5.956 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.560 5.594 -3.912 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.030 7.267 -3.687 1.00 0.00 H new ATOM 0 HG SER A 54 -6.543 6.100 -5.001 1.00 0.00 H new ATOM 788 N LEU A 55 -2.371 9.127 -4.490 1.00 0.00 N ATOM 789 CA LEU A 55 -1.659 10.085 -3.652 1.00 0.00 C ATOM 790 C LEU A 55 -2.416 11.406 -3.571 1.00 0.00 C ATOM 791 O LEU A 55 -3.082 11.812 -4.523 1.00 0.00 O ATOM 792 CB LEU A 55 -0.250 10.323 -4.199 1.00 0.00 C ATOM 793 CG LEU A 55 -0.087 10.188 -5.713 1.00 0.00 C ATOM 794 CD1 LEU A 55 1.016 11.108 -6.215 1.00 0.00 C ATOM 795 CD2 LEU A 55 0.207 8.744 -6.091 1.00 0.00 C ATOM 0 H LEU A 55 -2.643 9.488 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.586 9.668 -2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.067 11.324 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.429 9.620 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.023 10.483 -6.188 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.118 10.998 -7.295 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.764 12.141 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.957 10.844 -5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.320 8.667 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.128 8.421 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.616 8.108 -5.766 1.00 0.00 H new ATOM 807 N LYS A 56 -2.308 12.075 -2.428 1.00 0.00 N ATOM 808 CA LYS A 56 -2.979 13.354 -2.223 1.00 0.00 C ATOM 809 C LYS A 56 -2.036 14.365 -1.579 1.00 0.00 C ATOM 810 O LYS A 56 -1.211 14.010 -0.738 1.00 0.00 O ATOM 811 CB LYS A 56 -4.219 13.167 -1.346 1.00 0.00 C ATOM 812 CG LYS A 56 -4.938 14.466 -1.024 1.00 0.00 C ATOM 813 CD LYS A 56 -5.881 14.874 -2.144 1.00 0.00 C ATOM 814 CE LYS A 56 -7.039 15.708 -1.620 1.00 0.00 C ATOM 815 NZ LYS A 56 -6.654 17.134 -1.430 1.00 0.00 N ATOM 0 H LYS A 56 -1.762 11.753 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.284 13.737 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.912 12.493 -1.850 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.925 12.684 -0.414 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.500 14.352 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.206 15.256 -0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.332 15.443 -2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.267 13.983 -2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.875 15.647 -2.317 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.384 15.295 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.471 17.669 -1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.873 17.195 -0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.349 17.535 -2.340 1.00 0.00 H new ATOM 829 N GLN A 57 -2.167 15.626 -1.978 1.00 0.00 N ATOM 830 CA GLN A 57 -1.327 16.689 -1.438 1.00 0.00 C ATOM 831 C GLN A 57 -2.104 17.545 -0.444 1.00 0.00 C ATOM 832 O GLN A 57 -3.067 18.219 -0.809 1.00 0.00 O ATOM 833 CB GLN A 57 -0.786 17.565 -2.570 1.00 0.00 C ATOM 834 CG GLN A 57 0.101 18.701 -2.089 1.00 0.00 C ATOM 835 CD GLN A 57 1.153 19.092 -3.108 1.00 0.00 C ATOM 836 OE1 GLN A 57 0.844 19.336 -4.274 1.00 0.00 O ATOM 837 NE2 GLN A 57 2.406 19.154 -2.672 1.00 0.00 N ATOM 0 H GLN A 57 -2.846 15.937 -2.673 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.490 16.226 -0.915 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -0.220 16.941 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -1.624 17.981 -3.129 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -0.518 19.569 -1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.591 18.406 -1.161 1.00 0.00 H new ATOM 0 HE21 GLN A 57 2.618 18.944 -1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 57 3.157 19.412 -3.313 1.00 0.00 H new ATOM 846 N ASP A 58 -1.679 17.513 0.815 1.00 0.00 N ATOM 847 CA ASP A 58 -2.335 18.287 1.863 1.00 0.00 C ATOM 848 C ASP A 58 -1.407 19.374 2.396 1.00 0.00 C ATOM 849 O ASP A 58 -0.613 19.136 3.305 1.00 0.00 O ATOM 850 CB ASP A 58 -2.775 17.369 3.004 1.00 0.00 C ATOM 851 CG ASP A 58 -4.176 16.828 2.804 1.00 0.00 C ATOM 852 OD1 ASP A 58 -4.600 16.693 1.637 1.00 0.00 O ATOM 853 OD2 ASP A 58 -4.850 16.537 3.815 1.00 0.00 O ATOM 0 H ASP A 58 -0.884 16.960 1.134 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.215 18.765 1.432 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.076 16.537 3.087 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.731 17.917 3.945 1.00 0.00 H new ATOM 858 N GLY A 59 -1.513 20.569 1.823 1.00 0.00 N ATOM 859 CA GLY A 59 -0.677 21.675 2.253 1.00 0.00 C ATOM 860 C GLY A 59 0.802 21.359 2.148 1.00 0.00 C ATOM 861 O GLY A 59 1.362 21.326 1.052 1.00 0.00 O ATOM 0 H GLY A 59 -2.163 20.791 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.902 22.553 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.919 21.929 3.285 1.00 0.00 H new ATOM 865 N THR A 60 1.438 21.127 3.292 1.00 0.00 N ATOM 866 CA THR A 60 2.861 20.814 3.326 1.00 0.00 C ATOM 867 C THR A 60 3.095 19.356 3.703 1.00 0.00 C ATOM 868 O THR A 60 4.170 18.994 4.183 1.00 0.00 O ATOM 869 CB THR A 60 3.611 21.718 4.322 1.00 0.00 C ATOM 870 OG1 THR A 60 2.965 21.680 5.600 1.00 0.00 O ATOM 871 CG2 THR A 60 3.665 23.152 3.818 1.00 0.00 C ATOM 0 H THR A 60 0.990 21.150 4.208 1.00 0.00 H new ATOM 0 HA THR A 60 3.248 20.992 2.323 1.00 0.00 H new ATOM 0 HB THR A 60 4.631 21.346 4.419 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.449 22.256 6.228 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.200 23.771 4.539 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.183 23.181 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.651 23.533 3.694 1.00 0.00 H new ATOM 879 N ARG A 61 2.084 18.523 3.483 1.00 0.00 N ATOM 880 CA ARG A 61 2.180 17.103 3.801 1.00 0.00 C ATOM 881 C ARG A 61 1.537 16.256 2.707 1.00 0.00 C ATOM 882 O ARG A 61 0.398 16.501 2.308 1.00 0.00 O ATOM 883 CB ARG A 61 1.511 16.814 5.146 1.00 0.00 C ATOM 884 CG ARG A 61 2.454 16.926 6.332 1.00 0.00 C ATOM 885 CD ARG A 61 1.878 16.250 7.567 1.00 0.00 C ATOM 886 NE ARG A 61 2.350 16.872 8.801 1.00 0.00 N ATOM 887 CZ ARG A 61 2.065 18.122 9.151 1.00 0.00 C ATOM 888 NH1 ARG A 61 1.312 18.878 8.364 1.00 0.00 N ATOM 889 NH2 ARG A 61 2.531 18.616 10.290 1.00 0.00 N ATOM 0 H ARG A 61 1.188 18.806 3.086 1.00 0.00 H new ATOM 0 HA ARG A 61 3.236 16.841 3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.681 17.507 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.087 15.810 5.123 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.412 16.472 6.081 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.646 17.977 6.547 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.790 16.296 7.531 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.153 15.195 7.564 1.00 0.00 H new ATOM 0 HE ARG A 61 2.931 16.316 9.429 1.00 0.00 H new ATOM 0 HH11 ARG A 61 0.950 18.500 7.488 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.094 19.837 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 61 3.109 18.036 10.899 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.312 19.576 10.557 1.00 0.00 H new ATOM 903 N CYS A 62 2.273 15.260 2.227 1.00 0.00 N ATOM 904 CA CYS A 62 1.775 14.377 1.178 1.00 0.00 C ATOM 905 C CYS A 62 1.440 13.000 1.741 1.00 0.00 C ATOM 906 O CYS A 62 1.950 12.607 2.789 1.00 0.00 O ATOM 907 CB CYS A 62 2.809 14.247 0.059 1.00 0.00 C ATOM 908 SG CYS A 62 3.240 15.813 -0.734 1.00 0.00 S ATOM 0 H CYS A 62 3.217 15.043 2.547 1.00 0.00 H new ATOM 0 HA CYS A 62 0.863 14.814 0.771 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.714 13.797 0.466 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.425 13.563 -0.698 1.00 0.00 H new ATOM 0 HG CYS A 62 4.383 15.692 -1.341 1.00 0.00 H new ATOM 914 N GLU A 63 0.578 12.273 1.037 1.00 0.00 N ATOM 915 CA GLU A 63 0.173 10.940 1.469 1.00 0.00 C ATOM 916 C GLU A 63 0.007 10.008 0.272 1.00 0.00 C ATOM 917 O GLU A 63 -0.869 10.210 -0.570 1.00 0.00 O ATOM 918 CB GLU A 63 -1.135 11.011 2.259 1.00 0.00 C ATOM 919 CG GLU A 63 -1.515 9.700 2.927 1.00 0.00 C ATOM 920 CD GLU A 63 -2.799 9.803 3.727 1.00 0.00 C ATOM 921 OE1 GLU A 63 -3.018 10.856 4.362 1.00 0.00 O ATOM 922 OE2 GLU A 63 -3.584 8.832 3.719 1.00 0.00 O ATOM 0 H GLU A 63 0.147 12.584 0.166 1.00 0.00 H new ATOM 0 HA GLU A 63 0.957 10.541 2.113 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.048 11.785 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.939 11.313 1.588 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.627 8.928 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.706 9.384 3.585 1.00 0.00 H new ATOM 929 N LEU A 64 0.854 8.987 0.203 1.00 0.00 N ATOM 930 CA LEU A 64 0.803 8.023 -0.891 1.00 0.00 C ATOM 931 C LEU A 64 0.097 6.743 -0.455 1.00 0.00 C ATOM 932 O LEU A 64 0.323 6.242 0.646 1.00 0.00 O ATOM 933 CB LEU A 64 2.216 7.699 -1.378 1.00 0.00 C ATOM 934 CG LEU A 64 2.329 6.577 -2.411 1.00 0.00 C ATOM 935 CD1 LEU A 64 1.714 7.006 -3.734 1.00 0.00 C ATOM 936 CD2 LEU A 64 3.784 6.174 -2.603 1.00 0.00 C ATOM 0 H LEU A 64 1.584 8.805 0.891 1.00 0.00 H new ATOM 0 HA LEU A 64 0.237 8.468 -1.709 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.648 8.604 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.825 7.433 -0.514 1.00 0.00 H new ATOM 0 HG LEU A 64 1.779 5.712 -2.042 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.804 6.195 -4.457 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.661 7.245 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.236 7.886 -4.110 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.846 5.375 -3.341 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.357 7.034 -2.950 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.193 5.825 -1.655 1.00 0.00 H new ATOM 948 N GLN A 65 -0.757 6.217 -1.328 1.00 0.00 N ATOM 949 CA GLN A 65 -1.494 4.994 -1.033 1.00 0.00 C ATOM 950 C GLN A 65 -1.315 3.969 -2.147 1.00 0.00 C ATOM 951 O GLN A 65 -1.724 4.197 -3.286 1.00 0.00 O ATOM 952 CB GLN A 65 -2.980 5.303 -0.842 1.00 0.00 C ATOM 953 CG GLN A 65 -3.334 5.744 0.569 1.00 0.00 C ATOM 954 CD GLN A 65 -4.815 6.017 0.741 1.00 0.00 C ATOM 955 OE1 GLN A 65 -5.630 5.643 -0.103 1.00 0.00 O ATOM 956 NE2 GLN A 65 -5.173 6.672 1.840 1.00 0.00 N ATOM 0 H GLN A 65 -0.955 6.619 -2.244 1.00 0.00 H new ATOM 0 HA GLN A 65 -1.096 4.573 -0.110 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.273 6.085 -1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -3.562 4.416 -1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.026 4.972 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.771 6.644 0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.465 6.964 2.513 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -6.156 6.883 2.010 1.00 0.00 H new ATOM 965 N ILE A 66 -0.701 2.839 -1.811 1.00 0.00 N ATOM 966 CA ILE A 66 -0.468 1.779 -2.784 1.00 0.00 C ATOM 967 C ILE A 66 -1.442 0.623 -2.580 1.00 0.00 C ATOM 968 O ILE A 66 -1.188 -0.285 -1.788 1.00 0.00 O ATOM 969 CB ILE A 66 0.973 1.242 -2.698 1.00 0.00 C ATOM 970 CG1 ILE A 66 1.968 2.402 -2.623 1.00 0.00 C ATOM 971 CG2 ILE A 66 1.279 0.351 -3.892 1.00 0.00 C ATOM 972 CD1 ILE A 66 3.253 2.049 -1.906 1.00 0.00 C ATOM 0 H ILE A 66 -0.356 2.634 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.626 2.215 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 66 1.069 0.645 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.205 2.733 -3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.496 3.243 -2.114 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.301 -0.020 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.587 -0.491 -3.905 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.169 0.925 -4.812 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.911 2.918 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.028 1.746 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.747 1.229 -2.427 1.00 0.00 H new ATOM 984 N HIS A 67 -2.557 0.662 -3.302 1.00 0.00 N ATOM 985 CA HIS A 67 -3.569 -0.384 -3.203 1.00 0.00 C ATOM 986 C HIS A 67 -3.080 -1.676 -3.850 1.00 0.00 C ATOM 987 O HIS A 67 -2.261 -1.651 -4.769 1.00 0.00 O ATOM 988 CB HIS A 67 -4.870 0.071 -3.865 1.00 0.00 C ATOM 989 CG HIS A 67 -5.392 1.369 -3.331 1.00 0.00 C ATOM 990 ND1 HIS A 67 -6.436 1.448 -2.432 1.00 0.00 N ATOM 991 CD2 HIS A 67 -5.008 2.644 -3.571 1.00 0.00 C ATOM 992 CE1 HIS A 67 -6.671 2.715 -2.145 1.00 0.00 C ATOM 993 NE2 HIS A 67 -5.818 3.462 -2.822 1.00 0.00 N ATOM 0 H HIS A 67 -2.783 1.406 -3.962 1.00 0.00 H new ATOM 0 HA HIS A 67 -3.756 -0.576 -2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -4.707 0.169 -4.938 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -5.628 -0.700 -3.726 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -6.946 0.652 -2.049 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -4.212 2.960 -4.229 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.432 3.079 -1.471 1.00 0.00 H new ATOM 1002 N ASP A 68 -3.587 -2.804 -3.364 1.00 0.00 N ATOM 1003 CA ASP A 68 -3.202 -4.107 -3.895 1.00 0.00 C ATOM 1004 C ASP A 68 -1.718 -4.371 -3.663 1.00 0.00 C ATOM 1005 O ASP A 68 -0.978 -4.684 -4.597 1.00 0.00 O ATOM 1006 CB ASP A 68 -3.519 -4.186 -5.389 1.00 0.00 C ATOM 1007 CG ASP A 68 -3.842 -5.598 -5.838 1.00 0.00 C ATOM 1008 OD1 ASP A 68 -4.685 -6.249 -5.187 1.00 0.00 O ATOM 1009 OD2 ASP A 68 -3.250 -6.052 -6.840 1.00 0.00 O ATOM 0 H ASP A 68 -4.265 -2.842 -2.603 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.775 -4.870 -3.369 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.363 -3.534 -5.613 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.668 -3.812 -5.958 1.00 0.00 H new ATOM 1014 N LEU A 69 -1.288 -4.242 -2.412 1.00 0.00 N ATOM 1015 CA LEU A 69 0.109 -4.466 -2.057 1.00 0.00 C ATOM 1016 C LEU A 69 0.546 -5.880 -2.428 1.00 0.00 C ATOM 1017 O LEU A 69 -0.281 -6.784 -2.548 1.00 0.00 O ATOM 1018 CB LEU A 69 0.319 -4.232 -0.560 1.00 0.00 C ATOM 1019 CG LEU A 69 0.617 -2.791 -0.141 1.00 0.00 C ATOM 1020 CD1 LEU A 69 0.993 -2.731 1.331 1.00 0.00 C ATOM 1021 CD2 LEU A 69 1.725 -2.204 -1.002 1.00 0.00 C ATOM 0 H LEU A 69 -1.886 -3.984 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 69 0.719 -3.758 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.574 -4.566 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.142 -4.864 -0.226 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.284 -2.195 -0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.202 -1.699 1.611 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.168 -3.111 1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.880 -3.340 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.924 -1.179 -0.690 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.630 -2.800 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.416 -2.212 -2.047 1.00 0.00 H new ATOM 1033 N SER A 70 1.850 -6.064 -2.605 1.00 0.00 N ATOM 1034 CA SER A 70 2.397 -7.367 -2.963 1.00 0.00 C ATOM 1035 C SER A 70 3.866 -7.468 -2.567 1.00 0.00 C ATOM 1036 O SER A 70 4.637 -6.525 -2.750 1.00 0.00 O ATOM 1037 CB SER A 70 2.244 -7.612 -4.466 1.00 0.00 C ATOM 1038 OG SER A 70 1.005 -8.234 -4.758 1.00 0.00 O ATOM 0 H SER A 70 2.548 -5.327 -2.506 1.00 0.00 H new ATOM 0 HA SER A 70 1.840 -8.129 -2.419 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.314 -6.665 -5.001 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.062 -8.239 -4.820 1.00 0.00 H new ATOM 0 HG SER A 70 0.324 -7.919 -4.128 1.00 0.00 H new ATOM 1044 N VAL A 71 4.249 -8.619 -2.023 1.00 0.00 N ATOM 1045 CA VAL A 71 5.626 -8.845 -1.601 1.00 0.00 C ATOM 1046 C VAL A 71 6.612 -8.267 -2.610 1.00 0.00 C ATOM 1047 O VAL A 71 7.685 -7.790 -2.242 1.00 0.00 O ATOM 1048 CB VAL A 71 5.917 -10.346 -1.417 1.00 0.00 C ATOM 1049 CG1 VAL A 71 5.209 -10.880 -0.181 1.00 0.00 C ATOM 1050 CG2 VAL A 71 5.504 -11.124 -2.657 1.00 0.00 C ATOM 0 H VAL A 71 3.624 -9.410 -1.864 1.00 0.00 H new ATOM 0 HA VAL A 71 5.751 -8.338 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 71 6.990 -10.476 -1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.426 -11.942 -0.067 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.559 -10.342 0.700 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.133 -10.739 -0.289 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.717 -12.183 -2.510 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.437 -10.989 -2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.062 -10.758 -3.519 1.00 0.00 H new ATOM 1060 N ALA A 72 6.240 -8.313 -3.886 1.00 0.00 N ATOM 1061 CA ALA A 72 7.090 -7.792 -4.948 1.00 0.00 C ATOM 1062 C ALA A 72 7.269 -6.283 -4.818 1.00 0.00 C ATOM 1063 O ALA A 72 8.368 -5.760 -5.006 1.00 0.00 O ATOM 1064 CB ALA A 72 6.506 -8.140 -6.310 1.00 0.00 C ATOM 0 H ALA A 72 5.356 -8.706 -4.208 1.00 0.00 H new ATOM 0 HA ALA A 72 8.071 -8.257 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.151 -7.745 -7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.436 -9.223 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.512 -7.702 -6.403 1.00 0.00 H new ATOM 1070 N ASP A 73 6.183 -5.589 -4.497 1.00 0.00 N ATOM 1071 CA ASP A 73 6.220 -4.139 -4.341 1.00 0.00 C ATOM 1072 C ASP A 73 7.131 -3.740 -3.184 1.00 0.00 C ATOM 1073 O ASP A 73 7.497 -2.574 -3.043 1.00 0.00 O ATOM 1074 CB ASP A 73 4.811 -3.593 -4.109 1.00 0.00 C ATOM 1075 CG ASP A 73 3.991 -3.545 -5.384 1.00 0.00 C ATOM 1076 OD1 ASP A 73 4.208 -4.407 -6.261 1.00 0.00 O ATOM 1077 OD2 ASP A 73 3.134 -2.644 -5.505 1.00 0.00 O ATOM 0 H ASP A 73 5.266 -6.007 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 73 6.620 -3.710 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.300 -4.216 -3.375 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.878 -2.591 -3.686 1.00 0.00 H new ATOM 1082 N ALA A 74 7.491 -4.716 -2.358 1.00 0.00 N ATOM 1083 CA ALA A 74 8.359 -4.467 -1.213 1.00 0.00 C ATOM 1084 C ALA A 74 9.768 -4.098 -1.663 1.00 0.00 C ATOM 1085 O ALA A 74 10.543 -4.958 -2.081 1.00 0.00 O ATOM 1086 CB ALA A 74 8.396 -5.687 -0.304 1.00 0.00 C ATOM 0 H ALA A 74 7.195 -5.687 -2.460 1.00 0.00 H new ATOM 0 HA ALA A 74 7.951 -3.624 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.048 -5.487 0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.390 -5.905 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.777 -6.544 -0.860 1.00 0.00 H new ATOM 1092 N GLY A 75 10.094 -2.811 -1.577 1.00 0.00 N ATOM 1093 CA GLY A 75 11.410 -2.351 -1.979 1.00 0.00 C ATOM 1094 C GLY A 75 11.753 -0.994 -1.396 1.00 0.00 C ATOM 1095 O GLY A 75 11.884 -0.850 -0.181 1.00 0.00 O ATOM 0 H GLY A 75 9.470 -2.080 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.158 -3.078 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.456 -2.298 -3.067 1.00 0.00 H new ATOM 1099 N GLU A 76 11.900 0.002 -2.265 1.00 0.00 N ATOM 1100 CA GLU A 76 12.233 1.352 -1.827 1.00 0.00 C ATOM 1101 C GLU A 76 11.452 2.391 -2.627 1.00 0.00 C ATOM 1102 O GLU A 76 11.312 2.276 -3.845 1.00 0.00 O ATOM 1103 CB GLU A 76 13.735 1.604 -1.974 1.00 0.00 C ATOM 1104 CG GLU A 76 14.110 3.077 -1.957 1.00 0.00 C ATOM 1105 CD GLU A 76 14.102 3.697 -3.341 1.00 0.00 C ATOM 1106 OE1 GLU A 76 13.033 4.182 -3.768 1.00 0.00 O ATOM 1107 OE2 GLU A 76 15.165 3.697 -3.996 1.00 0.00 O ATOM 0 H GLU A 76 11.794 -0.101 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 76 11.957 1.444 -0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 76 14.261 1.095 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.079 1.161 -2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.413 3.618 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 76 15.101 3.191 -1.518 1.00 0.00 H new ATOM 1114 N TYR A 77 10.944 3.404 -1.933 1.00 0.00 N ATOM 1115 CA TYR A 77 10.174 4.461 -2.577 1.00 0.00 C ATOM 1116 C TYR A 77 10.782 5.831 -2.288 1.00 0.00 C ATOM 1117 O TYR A 77 10.922 6.229 -1.132 1.00 0.00 O ATOM 1118 CB TYR A 77 8.721 4.425 -2.100 1.00 0.00 C ATOM 1119 CG TYR A 77 8.001 3.142 -2.449 1.00 0.00 C ATOM 1120 CD1 TYR A 77 8.256 1.968 -1.750 1.00 0.00 C ATOM 1121 CD2 TYR A 77 7.067 3.103 -3.476 1.00 0.00 C ATOM 1122 CE1 TYR A 77 7.601 0.793 -2.065 1.00 0.00 C ATOM 1123 CE2 TYR A 77 6.407 1.933 -3.797 1.00 0.00 C ATOM 1124 CZ TYR A 77 6.677 0.781 -3.089 1.00 0.00 C ATOM 1125 OH TYR A 77 6.022 -0.387 -3.406 1.00 0.00 O ATOM 0 H TYR A 77 11.052 3.515 -0.925 1.00 0.00 H new ATOM 0 HA TYR A 77 10.201 4.291 -3.653 1.00 0.00 H new ATOM 0 HB2 TYR A 77 8.699 4.562 -1.019 1.00 0.00 H new ATOM 0 HB3 TYR A 77 8.182 5.265 -2.539 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.978 1.974 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 77 6.853 4.003 -4.033 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.811 -0.111 -1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 77 5.683 1.920 -4.598 1.00 0.00 H new ATOM 0 HH TYR A 77 6.672 -1.116 -3.484 1.00 0.00 H new ATOM 1135 N SER A 78 11.141 6.547 -3.349 1.00 0.00 N ATOM 1136 CA SER A 78 11.737 7.871 -3.211 1.00 0.00 C ATOM 1137 C SER A 78 10.783 8.951 -3.714 1.00 0.00 C ATOM 1138 O SER A 78 10.032 8.737 -4.666 1.00 0.00 O ATOM 1139 CB SER A 78 13.057 7.941 -3.982 1.00 0.00 C ATOM 1140 OG SER A 78 13.858 6.801 -3.727 1.00 0.00 O ATOM 0 H SER A 78 11.030 6.233 -4.313 1.00 0.00 H new ATOM 0 HA SER A 78 11.932 8.047 -2.153 1.00 0.00 H new ATOM 0 HB2 SER A 78 12.854 8.015 -5.050 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.600 8.842 -3.698 1.00 0.00 H new ATOM 0 HG SER A 78 13.358 5.991 -3.961 1.00 0.00 H new ATOM 1146 N CYS A 79 10.820 10.110 -3.067 1.00 0.00 N ATOM 1147 CA CYS A 79 9.959 11.225 -3.446 1.00 0.00 C ATOM 1148 C CYS A 79 10.784 12.470 -3.751 1.00 0.00 C ATOM 1149 O CYS A 79 11.488 12.988 -2.884 1.00 0.00 O ATOM 1150 CB CYS A 79 8.955 11.523 -2.331 1.00 0.00 C ATOM 1151 SG CYS A 79 7.780 12.839 -2.728 1.00 0.00 S ATOM 0 H CYS A 79 11.437 10.303 -2.278 1.00 0.00 H new ATOM 0 HA CYS A 79 9.416 10.942 -4.348 1.00 0.00 H new ATOM 0 HB2 CYS A 79 8.401 10.613 -2.103 1.00 0.00 H new ATOM 0 HB3 CYS A 79 9.501 11.798 -1.429 1.00 0.00 H new ATOM 0 HG CYS A 79 8.427 13.942 -2.962 1.00 0.00 H new ATOM 1157 N MET A 80 10.694 12.945 -4.989 1.00 0.00 N ATOM 1158 CA MET A 80 11.434 14.130 -5.408 1.00 0.00 C ATOM 1159 C MET A 80 10.575 15.383 -5.271 1.00 0.00 C ATOM 1160 O MET A 80 9.467 15.449 -5.805 1.00 0.00 O ATOM 1161 CB MET A 80 11.906 13.977 -6.855 1.00 0.00 C ATOM 1162 CG MET A 80 12.718 12.715 -7.099 1.00 0.00 C ATOM 1163 SD MET A 80 13.464 12.676 -8.741 1.00 0.00 S ATOM 1164 CE MET A 80 13.947 10.955 -8.852 1.00 0.00 C ATOM 0 H MET A 80 10.117 12.528 -5.719 1.00 0.00 H new ATOM 0 HA MET A 80 12.303 14.234 -4.759 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.037 13.973 -7.513 1.00 0.00 H new ATOM 0 HB3 MET A 80 12.508 14.845 -7.126 1.00 0.00 H new ATOM 0 HG2 MET A 80 13.502 12.641 -6.346 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.074 11.844 -6.976 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.360 10.756 -9.841 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.700 10.739 -8.094 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.075 10.321 -8.689 1.00 0.00 H new ATOM 1174 N CYS A 81 11.092 16.373 -4.553 1.00 0.00 N ATOM 1175 CA CYS A 81 10.372 17.625 -4.345 1.00 0.00 C ATOM 1176 C CYS A 81 11.264 18.823 -4.653 1.00 0.00 C ATOM 1177 O CYS A 81 12.029 19.275 -3.802 1.00 0.00 O ATOM 1178 CB CYS A 81 9.861 17.710 -2.906 1.00 0.00 C ATOM 1179 SG CYS A 81 9.170 19.321 -2.463 1.00 0.00 S ATOM 0 H CYS A 81 12.007 16.334 -4.105 1.00 0.00 H new ATOM 0 HA CYS A 81 9.522 17.644 -5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 81 9.098 16.946 -2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 81 10.681 17.479 -2.226 1.00 0.00 H new ATOM 0 HG CYS A 81 9.928 19.888 -1.573 1.00 0.00 H new ATOM 1185 N GLY A 82 11.160 19.333 -5.877 1.00 0.00 N ATOM 1186 CA GLY A 82 11.964 20.473 -6.276 1.00 0.00 C ATOM 1187 C GLY A 82 13.403 20.094 -6.567 1.00 0.00 C ATOM 1188 O GLY A 82 13.772 19.876 -7.720 1.00 0.00 O ATOM 0 H GLY A 82 10.533 18.977 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.525 20.930 -7.163 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.942 21.224 -5.486 1.00 0.00 H new ATOM 1192 N GLN A 83 14.217 20.018 -5.519 1.00 0.00 N ATOM 1193 CA GLN A 83 15.624 19.666 -5.668 1.00 0.00 C ATOM 1194 C GLN A 83 16.010 18.547 -4.707 1.00 0.00 C ATOM 1195 O GLN A 83 16.772 17.648 -5.061 1.00 0.00 O ATOM 1196 CB GLN A 83 16.507 20.891 -5.424 1.00 0.00 C ATOM 1197 CG GLN A 83 16.768 21.712 -6.677 1.00 0.00 C ATOM 1198 CD GLN A 83 18.049 22.518 -6.590 1.00 0.00 C ATOM 1199 OE1 GLN A 83 18.362 23.097 -5.549 1.00 0.00 O ATOM 1200 NE2 GLN A 83 18.799 22.559 -7.685 1.00 0.00 N ATOM 0 H GLN A 83 13.926 20.195 -4.558 1.00 0.00 H new ATOM 0 HA GLN A 83 15.778 19.313 -6.688 1.00 0.00 H new ATOM 0 HB2 GLN A 83 16.034 21.526 -4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 83 17.460 20.564 -5.008 1.00 0.00 H new ATOM 0 HG2 GLN A 83 16.820 21.046 -7.539 1.00 0.00 H new ATOM 0 HG3 GLN A 83 15.929 22.387 -6.846 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.501 22.064 -8.526 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.673 23.085 -7.685 1.00 0.00 H new ATOM 1209 N GLU A 84 15.478 18.609 -3.490 1.00 0.00 N ATOM 1210 CA GLU A 84 15.770 17.600 -2.478 1.00 0.00 C ATOM 1211 C GLU A 84 15.122 16.266 -2.838 1.00 0.00 C ATOM 1212 O GLU A 84 14.430 16.152 -3.850 1.00 0.00 O ATOM 1213 CB GLU A 84 15.277 18.065 -1.106 1.00 0.00 C ATOM 1214 CG GLU A 84 16.121 19.173 -0.500 1.00 0.00 C ATOM 1215 CD GLU A 84 16.472 20.255 -1.503 1.00 0.00 C ATOM 1216 OE1 GLU A 84 17.384 20.027 -2.325 1.00 0.00 O ATOM 1217 OE2 GLU A 84 15.836 21.328 -1.465 1.00 0.00 O ATOM 0 H GLU A 84 14.844 19.346 -3.181 1.00 0.00 H new ATOM 0 HA GLU A 84 16.850 17.461 -2.440 1.00 0.00 H new ATOM 0 HB2 GLU A 84 14.248 18.412 -1.198 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.267 17.214 -0.425 1.00 0.00 H new ATOM 0 HG2 GLU A 84 15.582 19.619 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 84 17.039 18.746 -0.096 1.00 0.00 H new ATOM 1224 N ARG A 85 15.353 15.258 -2.002 1.00 0.00 N ATOM 1225 CA ARG A 85 14.795 13.931 -2.232 1.00 0.00 C ATOM 1226 C ARG A 85 14.871 13.082 -0.967 1.00 0.00 C ATOM 1227 O ARG A 85 15.800 13.218 -0.170 1.00 0.00 O ATOM 1228 CB ARG A 85 15.537 13.233 -3.373 1.00 0.00 C ATOM 1229 CG ARG A 85 15.027 11.831 -3.664 1.00 0.00 C ATOM 1230 CD ARG A 85 15.630 11.273 -4.943 1.00 0.00 C ATOM 1231 NE ARG A 85 17.062 11.020 -4.808 1.00 0.00 N ATOM 1232 CZ ARG A 85 17.566 9.906 -4.290 1.00 0.00 C ATOM 1233 NH1 ARG A 85 16.758 8.947 -3.860 1.00 0.00 N ATOM 1234 NH2 ARG A 85 18.881 9.750 -4.201 1.00 0.00 N ATOM 0 H ARG A 85 15.923 15.336 -1.160 1.00 0.00 H new ATOM 0 HA ARG A 85 13.747 14.048 -2.507 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.448 13.837 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.598 13.181 -3.127 1.00 0.00 H new ATOM 0 HG2 ARG A 85 15.270 11.174 -2.829 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.941 11.849 -3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 85 15.122 10.346 -5.209 1.00 0.00 H new ATOM 0 HD3 ARG A 85 15.461 11.975 -5.760 1.00 0.00 H new ATOM 0 HE ARG A 85 17.711 11.739 -5.129 1.00 0.00 H new ATOM 0 HH11 ARG A 85 15.747 9.064 -3.927 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.147 8.092 -3.462 1.00 0.00 H new ATOM 0 HH21 ARG A 85 19.505 10.486 -4.531 1.00 0.00 H new ATOM 0 HH22 ARG A 85 19.267 8.894 -3.803 1.00 0.00 H new ATOM 1248 N THR A 86 13.887 12.206 -0.788 1.00 0.00 N ATOM 1249 CA THR A 86 13.842 11.337 0.381 1.00 0.00 C ATOM 1250 C THR A 86 13.446 9.916 -0.006 1.00 0.00 C ATOM 1251 O THR A 86 12.657 9.711 -0.928 1.00 0.00 O ATOM 1252 CB THR A 86 12.851 11.865 1.436 1.00 0.00 C ATOM 1253 OG1 THR A 86 12.910 11.052 2.613 1.00 0.00 O ATOM 1254 CG2 THR A 86 11.432 11.872 0.889 1.00 0.00 C ATOM 0 H THR A 86 13.111 12.080 -1.438 1.00 0.00 H new ATOM 0 HA THR A 86 14.845 11.329 0.808 1.00 0.00 H new ATOM 0 HB THR A 86 13.132 12.888 1.687 1.00 0.00 H new ATOM 0 HG1 THR A 86 13.462 11.496 3.290 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.750 12.249 1.651 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.384 12.515 0.010 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.143 10.858 0.613 1.00 0.00 H new ATOM 1262 N SER A 87 13.998 8.939 0.705 1.00 0.00 N ATOM 1263 CA SER A 87 13.705 7.536 0.434 1.00 0.00 C ATOM 1264 C SER A 87 13.055 6.873 1.645 1.00 0.00 C ATOM 1265 O SER A 87 13.291 7.271 2.785 1.00 0.00 O ATOM 1266 CB SER A 87 14.985 6.789 0.055 1.00 0.00 C ATOM 1267 OG SER A 87 15.947 6.867 1.093 1.00 0.00 O ATOM 0 H SER A 87 14.651 9.093 1.473 1.00 0.00 H new ATOM 0 HA SER A 87 13.006 7.491 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 87 14.753 5.744 -0.152 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.399 7.211 -0.861 1.00 0.00 H new ATOM 0 HG SER A 87 16.755 6.380 0.827 1.00 0.00 H new ATOM 1273 N ALA A 88 12.235 5.859 1.387 1.00 0.00 N ATOM 1274 CA ALA A 88 11.552 5.139 2.454 1.00 0.00 C ATOM 1275 C ALA A 88 11.284 3.692 2.055 1.00 0.00 C ATOM 1276 O ALA A 88 10.450 3.419 1.191 1.00 0.00 O ATOM 1277 CB ALA A 88 10.250 5.839 2.815 1.00 0.00 C ATOM 0 H ALA A 88 12.028 5.518 0.448 1.00 0.00 H new ATOM 0 HA ALA A 88 12.202 5.133 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.751 5.290 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.463 6.854 3.151 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.602 5.876 1.940 1.00 0.00 H new ATOM 1283 N THR A 89 11.996 2.766 2.690 1.00 0.00 N ATOM 1284 CA THR A 89 11.836 1.347 2.400 1.00 0.00 C ATOM 1285 C THR A 89 10.524 0.815 2.964 1.00 0.00 C ATOM 1286 O THR A 89 10.286 0.873 4.171 1.00 0.00 O ATOM 1287 CB THR A 89 13.002 0.521 2.976 1.00 0.00 C ATOM 1288 OG1 THR A 89 14.251 1.043 2.510 1.00 0.00 O ATOM 1289 CG2 THR A 89 12.878 -0.942 2.577 1.00 0.00 C ATOM 0 H THR A 89 12.689 2.974 3.409 1.00 0.00 H new ATOM 0 HA THR A 89 11.829 1.245 1.315 1.00 0.00 H new ATOM 0 HB THR A 89 12.963 0.590 4.063 1.00 0.00 H new ATOM 0 HG1 THR A 89 14.986 0.513 2.882 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.712 -1.505 2.995 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.940 -1.345 2.959 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.893 -1.025 1.490 1.00 0.00 H new ATOM 1297 N LEU A 90 9.675 0.296 2.084 1.00 0.00 N ATOM 1298 CA LEU A 90 8.385 -0.248 2.495 1.00 0.00 C ATOM 1299 C LEU A 90 8.514 -1.715 2.891 1.00 0.00 C ATOM 1300 O LEU A 90 9.406 -2.422 2.420 1.00 0.00 O ATOM 1301 CB LEU A 90 7.364 -0.101 1.365 1.00 0.00 C ATOM 1302 CG LEU A 90 6.031 -0.822 1.567 1.00 0.00 C ATOM 1303 CD1 LEU A 90 5.123 -0.018 2.484 1.00 0.00 C ATOM 1304 CD2 LEU A 90 5.352 -1.073 0.228 1.00 0.00 C ATOM 0 H LEU A 90 9.856 0.240 1.082 1.00 0.00 H new ATOM 0 HA LEU A 90 8.041 0.315 3.363 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.162 0.960 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.816 -0.467 0.444 1.00 0.00 H new ATOM 0 HG LEU A 90 6.229 -1.785 2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.179 -0.547 2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.606 0.110 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.932 0.960 2.041 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.405 -1.587 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.167 -0.121 -0.270 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.997 -1.691 -0.397 1.00 0.00 H new ATOM 1316 N THR A 91 7.615 -2.169 3.760 1.00 0.00 N ATOM 1317 CA THR A 91 7.628 -3.552 4.220 1.00 0.00 C ATOM 1318 C THR A 91 6.340 -4.271 3.835 1.00 0.00 C ATOM 1319 O THR A 91 5.242 -3.805 4.140 1.00 0.00 O ATOM 1320 CB THR A 91 7.812 -3.635 5.747 1.00 0.00 C ATOM 1321 OG1 THR A 91 9.144 -3.248 6.102 1.00 0.00 O ATOM 1322 CG2 THR A 91 7.537 -5.044 6.249 1.00 0.00 C ATOM 0 H THR A 91 6.869 -1.599 4.159 1.00 0.00 H new ATOM 0 HA THR A 91 8.473 -4.039 3.733 1.00 0.00 H new ATOM 0 HB THR A 91 7.100 -2.954 6.214 1.00 0.00 H new ATOM 0 HG1 THR A 91 9.252 -3.302 7.075 1.00 0.00 H new ATOM 0 HG21 THR A 91 7.673 -5.078 7.330 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.513 -5.324 6.003 1.00 0.00 H new ATOM 0 HG23 THR A 91 8.228 -5.741 5.774 1.00 0.00 H new ATOM 1330 N VAL A 92 6.481 -5.409 3.163 1.00 0.00 N ATOM 1331 CA VAL A 92 5.328 -6.194 2.737 1.00 0.00 C ATOM 1332 C VAL A 92 5.333 -7.574 3.385 1.00 0.00 C ATOM 1333 O VAL A 92 6.350 -8.269 3.381 1.00 0.00 O ATOM 1334 CB VAL A 92 5.295 -6.358 1.206 1.00 0.00 C ATOM 1335 CG1 VAL A 92 4.040 -7.103 0.776 1.00 0.00 C ATOM 1336 CG2 VAL A 92 5.379 -5.001 0.524 1.00 0.00 C ATOM 0 H VAL A 92 7.383 -5.808 2.902 1.00 0.00 H new ATOM 0 HA VAL A 92 4.439 -5.649 3.056 1.00 0.00 H new ATOM 0 HB VAL A 92 6.160 -6.947 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 92 4.034 -7.210 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 92 4.027 -8.090 1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.159 -6.544 1.091 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.354 -5.135 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 92 4.534 -4.386 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 92 6.309 -4.508 0.807 1.00 0.00 H new ATOM 1346 N ARG A 93 4.191 -7.965 3.941 1.00 0.00 N ATOM 1347 CA ARG A 93 4.064 -9.262 4.594 1.00 0.00 C ATOM 1348 C ARG A 93 3.331 -10.254 3.695 1.00 0.00 C ATOM 1349 O ARG A 93 2.271 -9.947 3.150 1.00 0.00 O ATOM 1350 CB ARG A 93 3.321 -9.118 5.923 1.00 0.00 C ATOM 1351 CG ARG A 93 3.743 -10.135 6.970 1.00 0.00 C ATOM 1352 CD ARG A 93 3.397 -9.666 8.375 1.00 0.00 C ATOM 1353 NE ARG A 93 4.106 -10.429 9.398 1.00 0.00 N ATOM 1354 CZ ARG A 93 4.043 -10.154 10.696 1.00 0.00 C ATOM 1355 NH1 ARG A 93 3.307 -9.140 11.127 1.00 0.00 N ATOM 1356 NH2 ARG A 93 4.718 -10.895 11.565 1.00 0.00 N ATOM 0 H ARG A 93 3.341 -7.402 3.952 1.00 0.00 H new ATOM 0 HA ARG A 93 5.067 -9.643 4.786 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.487 -8.115 6.316 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.250 -9.217 5.744 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.252 -11.088 6.772 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.817 -10.309 6.898 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.644 -8.609 8.475 1.00 0.00 H new ATOM 0 HD3 ARG A 93 2.323 -9.759 8.534 1.00 0.00 H new ATOM 0 HE ARG A 93 4.681 -11.217 9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 93 2.787 -8.568 10.461 1.00 0.00 H new ATOM 0 HH12 ARG A 93 3.261 -8.931 12.124 1.00 0.00 H new ATOM 0 HH21 ARG A 93 5.286 -11.676 11.236 1.00 0.00 H new ATOM 0 HH22 ARG A 93 4.669 -10.684 12.562 1.00 0.00 H new ATOM 1370 N ALA A 94 3.904 -11.444 3.544 1.00 0.00 N ATOM 1371 CA ALA A 94 3.305 -12.480 2.713 1.00 0.00 C ATOM 1372 C ALA A 94 2.096 -13.106 3.401 1.00 0.00 C ATOM 1373 O ALA A 94 2.102 -13.320 4.614 1.00 0.00 O ATOM 1374 CB ALA A 94 4.335 -13.549 2.377 1.00 0.00 C ATOM 0 H ALA A 94 4.782 -11.714 3.987 1.00 0.00 H new ATOM 0 HA ALA A 94 2.964 -12.016 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.873 -14.317 1.756 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.166 -13.096 1.837 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.704 -14.001 3.298 1.00 0.00 H new ATOM 1380 N LEU A 95 1.061 -13.395 2.621 1.00 0.00 N ATOM 1381 CA LEU A 95 -0.156 -13.996 3.155 1.00 0.00 C ATOM 1382 C LEU A 95 0.168 -15.231 3.990 1.00 0.00 C ATOM 1383 O LEU A 95 1.202 -15.876 3.814 1.00 0.00 O ATOM 1384 CB LEU A 95 -1.106 -14.370 2.017 1.00 0.00 C ATOM 1385 CG LEU A 95 -1.822 -13.206 1.330 1.00 0.00 C ATOM 1386 CD1 LEU A 95 -3.075 -13.695 0.620 1.00 0.00 C ATOM 1387 CD2 LEU A 95 -2.168 -12.122 2.340 1.00 0.00 C ATOM 0 H LEU A 95 1.040 -13.223 1.616 1.00 0.00 H new ATOM 0 HA LEU A 95 -0.642 -13.262 3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.540 -14.918 1.263 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.859 -15.053 2.409 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.150 -12.780 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -3.571 -12.853 0.137 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.802 -14.435 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -3.751 -14.147 1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.677 -11.302 1.834 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.822 -12.536 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -1.254 -11.751 2.803 1.00 0.00 H new