USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 558 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 67 CYS SG : rot 110:sc= 0.585 USER MOD Set 1.2: A 70 CYS SG : rot -32:sc= -2.2 USER MOD Set 1.3: A 83 HIS : no HD1:sc= -1.13 K(o=-5.2,f=-8!) USER MOD Set 1.4: A 87 HIS : no HD1:sc= -2.51! K(o=-5.2!,f=-6.4) USER MOD Set 2.1: A 39 CYS SG : rot -163:sc= 0.201 USER MOD Set 2.2: A 42 CYS SG : rot 180:sc= -0.0405 USER MOD Set 2.3: A 55 HIS : no HD1:sc= -0.593 K(o=-1.6,f=-3.8) USER MOD Set 2.4: A 59 HIS :FLIP no HD1:sc= -1.17 F(o=-2.7,f=-1.6) USER MOD Set 3.1: A 44 TYR OH : rot -50:sc= -0.203 USER MOD Set 3.2: A 51 SER OG : rot -100:sc= 0.342 USER MOD Set 4.1: A 11 CYS SG : rot 139:sc= -2.62! USER MOD Set 4.2: A 14 CYS SG : rot -73:sc= -0.308 USER MOD Set 4.3: A 27 HIS :FLIP no HD1:sc= -4.18! C(o=-11!,f=-7.7!) USER MOD Set 4.4: A 28 MET CE :methyl -178:sc= -0.0647 (180deg=0) USER MOD Set 4.5: A 31 HIS : no HE2:sc= -0.561 K(o=-7.7,f=-9.8) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 151:sc= -0.609 (180deg=-1.93!) USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000953) USER MOD Single : A 17 CYS SG : rot 32:sc= 0.142 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 159:sc= -0.116 (180deg=-0.546) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 80:sc= 0.0201 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0023 USER MOD Single : A 38 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.691) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.083 USER MOD Single : A 50 SER OG : rot 180:sc= -0.269 USER MOD Single : A 53 ASN : amide:sc= -0.0284 K(o=-0.028,f=-0.78) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -102:sc= -0.373 (180deg=-2.06!) USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 116:sc= 1.13 USER MOD Single : A 76 ASN : amide:sc= -0.832 K(o=-0.83,f=-5!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.0311 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.0803 K(o=-0.08,f=-2!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 83:sc= 0.151 USER MOD ----------------------------------------------------------------- ATOM 80 N HIS A 9 7.296 5.266 0.599 1.00 0.00 N ATOM 81 CA HIS A 9 6.626 4.068 0.105 1.00 0.00 C ATOM 82 C HIS A 9 6.542 3.004 1.194 1.00 0.00 C ATOM 83 O HIS A 9 7.484 2.241 1.406 1.00 0.00 O ATOM 84 CB HIS A 9 7.365 3.511 -1.113 1.00 0.00 C ATOM 85 CG HIS A 9 6.902 4.094 -2.412 1.00 0.00 C ATOM 86 ND1 HIS A 9 6.821 3.364 -3.579 1.00 0.00 N ATOM 87 CD2 HIS A 9 6.494 5.346 -2.725 1.00 0.00 C ATOM 88 CE1 HIS A 9 6.384 4.141 -4.553 1.00 0.00 C ATOM 89 NE2 HIS A 9 6.177 5.349 -4.062 1.00 0.00 N ATOM 0 HA HIS A 9 5.613 4.343 -0.188 1.00 0.00 H new ATOM 0 HB2 HIS A 9 8.432 3.701 -0.999 1.00 0.00 H new ATOM 0 HB3 HIS A 9 7.235 2.429 -1.143 1.00 0.00 H new ATOM 0 HD2 HIS A 9 6.430 6.186 -2.050 1.00 0.00 H new ATOM 0 HE1 HIS A 9 6.223 3.840 -5.578 1.00 0.00 H new ATOM 0 HE2 HIS A 9 5.837 6.153 -4.589 1.00 0.00 H new ATOM 97 N LYS A 10 5.407 2.958 1.884 1.00 0.00 N ATOM 98 CA LYS A 10 5.198 1.988 2.952 1.00 0.00 C ATOM 99 C LYS A 10 4.598 0.697 2.404 1.00 0.00 C ATOM 100 O LYS A 10 3.782 0.722 1.482 1.00 0.00 O ATOM 101 CB LYS A 10 4.280 2.572 4.028 1.00 0.00 C ATOM 102 CG LYS A 10 2.809 2.269 3.803 1.00 0.00 C ATOM 103 CD LYS A 10 1.921 3.118 4.698 1.00 0.00 C ATOM 104 CE LYS A 10 0.618 2.406 5.027 1.00 0.00 C ATOM 105 NZ LYS A 10 -0.435 2.681 4.010 1.00 0.00 N ATOM 0 H LYS A 10 4.617 3.582 1.722 1.00 0.00 H new ATOM 0 HA LYS A 10 6.167 1.759 3.395 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.578 2.180 5.000 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.418 3.653 4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.555 2.451 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.620 1.213 3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.451 3.353 5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.705 4.065 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.795 1.332 5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.267 2.725 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.086 1.872 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.965 3.534 4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.009 2.830 3.082 1.00 0.00 H new ATOM 119 N CYS A 11 5.006 -0.430 2.977 1.00 0.00 N ATOM 120 CA CYS A 11 4.509 -1.731 2.548 1.00 0.00 C ATOM 121 C CYS A 11 3.093 -1.970 3.064 1.00 0.00 C ATOM 122 O CYS A 11 2.817 -2.986 3.701 1.00 0.00 O ATOM 123 CB CYS A 11 5.437 -2.844 3.040 1.00 0.00 C ATOM 124 SG CYS A 11 5.500 -4.298 1.945 1.00 0.00 S ATOM 0 H CYS A 11 5.681 -0.468 3.741 1.00 0.00 H new ATOM 0 HA CYS A 11 4.487 -1.741 1.458 1.00 0.00 H new ATOM 0 HB2 CYS A 11 6.444 -2.441 3.149 1.00 0.00 H new ATOM 0 HB3 CYS A 11 5.112 -3.162 4.030 1.00 0.00 H new ATOM 0 HG CYS A 11 6.727 -4.716 1.849 1.00 0.00 H new ATOM 129 N GLU A 12 2.200 -1.026 2.783 1.00 0.00 N ATOM 130 CA GLU A 12 0.812 -1.134 3.220 1.00 0.00 C ATOM 131 C GLU A 12 0.335 -2.583 3.163 1.00 0.00 C ATOM 132 O GLU A 12 -0.373 -3.050 4.055 1.00 0.00 O ATOM 133 CB GLU A 12 -0.089 -0.254 2.351 1.00 0.00 C ATOM 134 CG GLU A 12 0.048 -0.526 0.863 1.00 0.00 C ATOM 135 CD GLU A 12 -1.118 0.019 0.061 1.00 0.00 C ATOM 136 OE1 GLU A 12 -2.256 -0.007 0.574 1.00 0.00 O ATOM 137 OE2 GLU A 12 -0.892 0.472 -1.081 1.00 0.00 O ATOM 0 H GLU A 12 2.412 -0.179 2.256 1.00 0.00 H new ATOM 0 HA GLU A 12 0.755 -0.791 4.253 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.127 -0.408 2.646 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.145 0.793 2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.974 -0.080 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 12 0.126 -1.601 0.699 1.00 0.00 H new ATOM 144 N VAL A 13 0.728 -3.288 2.107 1.00 0.00 N ATOM 145 CA VAL A 13 0.342 -4.683 1.933 1.00 0.00 C ATOM 146 C VAL A 13 0.355 -5.427 3.264 1.00 0.00 C ATOM 147 O VAL A 13 -0.585 -6.153 3.591 1.00 0.00 O ATOM 148 CB VAL A 13 1.277 -5.405 0.945 1.00 0.00 C ATOM 149 CG1 VAL A 13 1.040 -4.910 -0.474 1.00 0.00 C ATOM 150 CG2 VAL A 13 2.731 -5.213 1.350 1.00 0.00 C ATOM 0 H VAL A 13 1.313 -2.916 1.359 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.671 -4.683 1.530 1.00 0.00 H new ATOM 0 HB VAL A 13 1.054 -6.471 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.710 -5.432 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.006 -5.105 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.234 -3.839 -0.523 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.378 -5.730 0.641 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.971 -4.150 1.352 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.888 -5.622 2.348 1.00 0.00 H new ATOM 160 N CYS A 14 1.425 -5.242 4.029 1.00 0.00 N ATOM 161 CA CYS A 14 1.562 -5.895 5.325 1.00 0.00 C ATOM 162 C CYS A 14 1.556 -4.869 6.454 1.00 0.00 C ATOM 163 O CYS A 14 0.960 -5.093 7.507 1.00 0.00 O ATOM 164 CB CYS A 14 2.853 -6.715 5.373 1.00 0.00 C ATOM 165 SG CYS A 14 4.366 -5.736 5.104 1.00 0.00 S ATOM 0 H CYS A 14 2.211 -4.644 3.773 1.00 0.00 H new ATOM 0 HA CYS A 14 0.711 -6.562 5.459 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.921 -7.210 6.342 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.801 -7.499 4.618 1.00 0.00 H new ATOM 0 HG CYS A 14 4.444 -5.392 3.853 1.00 0.00 H new ATOM 170 N GLY A 15 2.223 -3.742 6.226 1.00 0.00 N ATOM 171 CA GLY A 15 2.282 -2.698 7.233 1.00 0.00 C ATOM 172 C GLY A 15 3.695 -2.434 7.712 1.00 0.00 C ATOM 173 O GLY A 15 3.913 -2.112 8.881 1.00 0.00 O ATOM 0 H GLY A 15 2.724 -3.533 5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 15 1.863 -1.779 6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.661 -2.981 8.083 1.00 0.00 H new ATOM 177 N LYS A 16 4.660 -2.571 6.809 1.00 0.00 N ATOM 178 CA LYS A 16 6.061 -2.346 7.145 1.00 0.00 C ATOM 179 C LYS A 16 6.568 -1.050 6.520 1.00 0.00 C ATOM 180 O LYS A 16 6.651 -0.930 5.297 1.00 0.00 O ATOM 181 CB LYS A 16 6.916 -3.522 6.670 1.00 0.00 C ATOM 182 CG LYS A 16 8.157 -3.752 7.516 1.00 0.00 C ATOM 183 CD LYS A 16 7.815 -4.414 8.840 1.00 0.00 C ATOM 184 CE LYS A 16 9.065 -4.704 9.657 1.00 0.00 C ATOM 185 NZ LYS A 16 9.813 -5.878 9.128 1.00 0.00 N ATOM 0 H LYS A 16 4.497 -2.837 5.838 1.00 0.00 H new ATOM 0 HA LYS A 16 6.140 -2.262 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.309 -4.427 6.676 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.218 -3.347 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 16 8.862 -4.377 6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.653 -2.799 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.148 -3.767 9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.276 -5.343 8.655 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.713 -3.828 9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.786 -4.888 10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.649 -6.054 9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.197 -6.716 9.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.116 -5.685 8.152 1.00 0.00 H new ATOM 199 N CYS A 17 6.908 -0.084 7.367 1.00 0.00 N ATOM 200 CA CYS A 17 7.409 1.203 6.897 1.00 0.00 C ATOM 201 C CYS A 17 8.849 1.081 6.408 1.00 0.00 C ATOM 202 O CYS A 17 9.723 0.607 7.133 1.00 0.00 O ATOM 203 CB CYS A 17 7.323 2.245 8.013 1.00 0.00 C ATOM 204 SG CYS A 17 8.270 1.821 9.494 1.00 0.00 S ATOM 0 H CYS A 17 6.846 -0.168 8.382 1.00 0.00 H new ATOM 0 HA CYS A 17 6.787 1.524 6.061 1.00 0.00 H new ATOM 0 HB2 CYS A 17 7.677 3.202 7.630 1.00 0.00 H new ATOM 0 HB3 CYS A 17 6.277 2.380 8.290 1.00 0.00 H new ATOM 0 HG CYS A 17 9.320 1.133 9.156 1.00 0.00 H new ATOM 210 N PHE A 18 9.087 1.510 5.173 1.00 0.00 N ATOM 211 CA PHE A 18 10.420 1.446 4.586 1.00 0.00 C ATOM 212 C PHE A 18 10.767 2.754 3.881 1.00 0.00 C ATOM 213 O PHE A 18 10.101 3.153 2.926 1.00 0.00 O ATOM 214 CB PHE A 18 10.510 0.282 3.597 1.00 0.00 C ATOM 215 CG PHE A 18 10.766 -1.044 4.255 1.00 0.00 C ATOM 216 CD1 PHE A 18 12.017 -1.349 4.766 1.00 0.00 C ATOM 217 CD2 PHE A 18 9.755 -1.986 4.362 1.00 0.00 C ATOM 218 CE1 PHE A 18 12.256 -2.569 5.371 1.00 0.00 C ATOM 219 CE2 PHE A 18 9.988 -3.207 4.966 1.00 0.00 C ATOM 220 CZ PHE A 18 11.239 -3.498 5.472 1.00 0.00 C ATOM 0 H PHE A 18 8.374 1.906 4.560 1.00 0.00 H new ATOM 0 HA PHE A 18 11.137 1.286 5.391 1.00 0.00 H new ATOM 0 HB2 PHE A 18 9.581 0.224 3.030 1.00 0.00 H new ATOM 0 HB3 PHE A 18 11.307 0.484 2.882 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.815 -0.625 4.691 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.774 -1.763 3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 18 13.236 -2.795 5.764 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.192 -3.933 5.042 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.422 -4.451 5.946 1.00 0.00 H new ATOM 230 N SER A 19 11.815 3.418 4.361 1.00 0.00 N ATOM 231 CA SER A 19 12.248 4.684 3.780 1.00 0.00 C ATOM 232 C SER A 19 13.214 4.448 2.622 1.00 0.00 C ATOM 233 O SER A 19 13.121 5.097 1.581 1.00 0.00 O ATOM 234 CB SER A 19 12.915 5.556 4.846 1.00 0.00 C ATOM 235 OG SER A 19 11.994 5.916 5.860 1.00 0.00 O ATOM 0 H SER A 19 12.379 3.101 5.149 1.00 0.00 H new ATOM 0 HA SER A 19 11.368 5.200 3.397 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.754 5.018 5.287 1.00 0.00 H new ATOM 0 HB3 SER A 19 13.321 6.455 4.383 1.00 0.00 H new ATOM 0 HG SER A 19 12.445 6.471 6.530 1.00 0.00 H new ATOM 241 N ARG A 20 14.140 3.514 2.813 1.00 0.00 N ATOM 242 CA ARG A 20 15.123 3.192 1.787 1.00 0.00 C ATOM 243 C ARG A 20 14.484 2.398 0.651 1.00 0.00 C ATOM 244 O ARG A 20 14.146 1.225 0.813 1.00 0.00 O ATOM 245 CB ARG A 20 16.281 2.396 2.391 1.00 0.00 C ATOM 246 CG ARG A 20 17.384 3.269 2.970 1.00 0.00 C ATOM 247 CD ARG A 20 18.042 4.119 1.895 1.00 0.00 C ATOM 248 NE ARG A 20 19.266 4.755 2.375 1.00 0.00 N ATOM 249 CZ ARG A 20 19.283 5.891 3.064 1.00 0.00 C ATOM 250 NH1 ARG A 20 18.148 6.512 3.353 1.00 0.00 N ATOM 251 NH2 ARG A 20 20.437 6.408 3.466 1.00 0.00 N ATOM 0 H ARG A 20 14.230 2.967 3.669 1.00 0.00 H new ATOM 0 HA ARG A 20 15.507 4.128 1.382 1.00 0.00 H new ATOM 0 HB2 ARG A 20 15.894 1.746 3.176 1.00 0.00 H new ATOM 0 HB3 ARG A 20 16.706 1.750 1.623 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.970 3.915 3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 20 18.135 2.640 3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 20 18.272 3.496 1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.343 4.885 1.560 1.00 0.00 H new ATOM 0 HE ARG A 20 20.157 4.302 2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.259 6.118 3.046 1.00 0.00 H new ATOM 0 HH12 ARG A 20 18.164 7.384 3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.313 5.933 3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.448 7.280 3.995 1.00 0.00 H new ATOM 265 N LYS A 21 14.321 3.045 -0.498 1.00 0.00 N ATOM 266 CA LYS A 21 13.724 2.400 -1.661 1.00 0.00 C ATOM 267 C LYS A 21 14.395 1.060 -1.946 1.00 0.00 C ATOM 268 O LYS A 21 13.739 0.100 -2.349 1.00 0.00 O ATOM 269 CB LYS A 21 13.836 3.309 -2.887 1.00 0.00 C ATOM 270 CG LYS A 21 13.219 2.716 -4.142 1.00 0.00 C ATOM 271 CD LYS A 21 12.934 3.787 -5.183 1.00 0.00 C ATOM 272 CE LYS A 21 14.188 4.154 -5.962 1.00 0.00 C ATOM 273 NZ LYS A 21 14.699 3.006 -6.762 1.00 0.00 N ATOM 0 H LYS A 21 14.594 4.016 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 21 12.671 2.220 -1.444 1.00 0.00 H new ATOM 0 HB2 LYS A 21 13.351 4.261 -2.669 1.00 0.00 H new ATOM 0 HB3 LYS A 21 14.888 3.523 -3.076 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.893 1.969 -4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.293 2.201 -3.885 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.167 3.432 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.536 4.675 -4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 21 13.972 4.991 -6.625 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.961 4.487 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.307 3.360 -7.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.250 2.373 -6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.898 2.483 -7.169 1.00 0.00 H new ATOM 287 N ASP A 22 15.705 1.003 -1.732 1.00 0.00 N ATOM 288 CA ASP A 22 16.465 -0.220 -1.963 1.00 0.00 C ATOM 289 C ASP A 22 15.922 -1.365 -1.113 1.00 0.00 C ATOM 290 O ASP A 22 15.818 -2.501 -1.576 1.00 0.00 O ATOM 291 CB ASP A 22 17.945 0.006 -1.651 1.00 0.00 C ATOM 292 CG ASP A 22 18.155 1.035 -0.557 1.00 0.00 C ATOM 293 OD1 ASP A 22 17.810 2.214 -0.778 1.00 0.00 O ATOM 294 OD2 ASP A 22 18.664 0.660 0.520 1.00 0.00 O ATOM 0 H ASP A 22 16.263 1.789 -1.399 1.00 0.00 H new ATOM 0 HA ASP A 22 16.361 -0.490 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 22 18.398 -0.938 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 22 18.459 0.332 -2.556 1.00 0.00 H new ATOM 299 N LYS A 23 15.579 -1.059 0.133 1.00 0.00 N ATOM 300 CA LYS A 23 15.047 -2.061 1.049 1.00 0.00 C ATOM 301 C LYS A 23 13.716 -2.608 0.544 1.00 0.00 C ATOM 302 O LYS A 23 13.581 -3.805 0.288 1.00 0.00 O ATOM 303 CB LYS A 23 14.867 -1.461 2.445 1.00 0.00 C ATOM 304 CG LYS A 23 16.177 -1.126 3.137 1.00 0.00 C ATOM 305 CD LYS A 23 16.700 -2.304 3.942 1.00 0.00 C ATOM 306 CE LYS A 23 17.538 -3.239 3.082 1.00 0.00 C ATOM 307 NZ LYS A 23 18.571 -3.952 3.882 1.00 0.00 N ATOM 0 H LYS A 23 15.660 -0.124 0.532 1.00 0.00 H new ATOM 0 HA LYS A 23 15.761 -2.883 1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.265 -0.556 2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.308 -2.163 3.064 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.918 -0.835 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.033 -0.269 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.300 -1.939 4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.862 -2.854 4.370 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.888 -3.967 2.597 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.022 -2.668 2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.120 -4.579 3.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.207 -3.258 4.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.108 -4.518 4.622 1.00 0.00 H new ATOM 321 N LEU A 24 12.734 -1.724 0.401 1.00 0.00 N ATOM 322 CA LEU A 24 11.413 -2.118 -0.076 1.00 0.00 C ATOM 323 C LEU A 24 11.516 -2.899 -1.382 1.00 0.00 C ATOM 324 O LEU A 24 11.032 -4.027 -1.483 1.00 0.00 O ATOM 325 CB LEU A 24 10.532 -0.883 -0.275 1.00 0.00 C ATOM 326 CG LEU A 24 9.063 -1.153 -0.602 1.00 0.00 C ATOM 327 CD1 LEU A 24 8.943 -2.022 -1.844 1.00 0.00 C ATOM 328 CD2 LEU A 24 8.365 -1.810 0.580 1.00 0.00 C ATOM 0 H LEU A 24 12.828 -0.730 0.609 1.00 0.00 H new ATOM 0 HA LEU A 24 10.960 -2.763 0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.577 -0.279 0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 24 10.958 -0.283 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 24 8.575 -0.199 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.890 -2.203 -2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.405 -1.513 -2.690 1.00 0.00 H new ATOM 0 HD13 LEU A 24 9.447 -2.973 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.320 -1.995 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.855 -2.756 0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.419 -1.151 1.447 1.00 0.00 H new ATOM 340 N LYS A 25 12.151 -2.294 -2.379 1.00 0.00 N ATOM 341 CA LYS A 25 12.322 -2.933 -3.679 1.00 0.00 C ATOM 342 C LYS A 25 12.525 -4.437 -3.523 1.00 0.00 C ATOM 343 O LYS A 25 12.034 -5.227 -4.330 1.00 0.00 O ATOM 344 CB LYS A 25 13.514 -2.321 -4.418 1.00 0.00 C ATOM 345 CG LYS A 25 13.740 -2.910 -5.800 1.00 0.00 C ATOM 346 CD LYS A 25 14.700 -2.062 -6.618 1.00 0.00 C ATOM 347 CE LYS A 25 16.145 -2.305 -6.209 1.00 0.00 C ATOM 348 NZ LYS A 25 17.101 -1.847 -7.254 1.00 0.00 N ATOM 0 H LYS A 25 12.557 -1.361 -2.312 1.00 0.00 H new ATOM 0 HA LYS A 25 11.416 -2.765 -4.261 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.360 -1.246 -4.511 1.00 0.00 H new ATOM 0 HB3 LYS A 25 14.414 -2.464 -3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 25 14.136 -3.921 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.787 -2.989 -6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.577 -2.290 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.456 -1.007 -6.489 1.00 0.00 H new ATOM 0 HE2 LYS A 25 16.351 -1.783 -5.275 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.295 -3.368 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 18.075 -2.030 -6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.922 -2.363 -8.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 16.975 -0.827 -7.416 1.00 0.00 H new ATOM 362 N THR A 26 13.249 -4.827 -2.478 1.00 0.00 N ATOM 363 CA THR A 26 13.516 -6.236 -2.217 1.00 0.00 C ATOM 364 C THR A 26 12.474 -6.827 -1.274 1.00 0.00 C ATOM 365 O THR A 26 12.089 -7.989 -1.407 1.00 0.00 O ATOM 366 CB THR A 26 14.916 -6.439 -1.608 1.00 0.00 C ATOM 367 OG1 THR A 26 15.889 -5.709 -2.363 1.00 0.00 O ATOM 368 CG2 THR A 26 15.287 -7.914 -1.584 1.00 0.00 C ATOM 0 H THR A 26 13.661 -4.187 -1.799 1.00 0.00 H new ATOM 0 HA THR A 26 13.467 -6.750 -3.177 1.00 0.00 H new ATOM 0 HB THR A 26 14.900 -6.068 -0.583 1.00 0.00 H new ATOM 0 HG1 THR A 26 15.862 -4.764 -2.105 1.00 0.00 H new ATOM 0 HG21 THR A 26 16.280 -8.032 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 26 14.561 -8.462 -0.984 1.00 0.00 H new ATOM 0 HG23 THR A 26 15.287 -8.306 -2.601 1.00 0.00 H new ATOM 376 N HIS A 27 12.019 -6.019 -0.321 1.00 0.00 N ATOM 377 CA HIS A 27 11.019 -6.463 0.644 1.00 0.00 C ATOM 378 C HIS A 27 9.867 -7.177 -0.057 1.00 0.00 C ATOM 379 O HIS A 27 9.346 -8.173 0.444 1.00 0.00 O ATOM 380 CB HIS A 27 10.486 -5.272 1.442 1.00 0.00 C ATOM 381 CG HIS A 27 9.468 -5.650 2.473 1.00 0.00 C ATOM 382 ND1 HIS A 27 8.139 -5.882 2.361 1.00 0.00 N flip ATOM 383 CD2 HIS A 27 9.776 -5.827 3.805 1.00 0.00 C flip ATOM 384 CE1 HIS A 27 7.673 -6.194 3.615 1.00 0.00 C flip ATOM 385 NE2 HIS A 27 8.681 -6.154 4.468 1.00 0.00 N flip ATOM 0 H HIS A 27 12.327 -5.054 -0.197 1.00 0.00 H new ATOM 0 HA HIS A 27 11.496 -7.165 1.328 1.00 0.00 H new ATOM 0 HB2 HIS A 27 11.320 -4.772 1.933 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.044 -4.552 0.753 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.759 -5.716 4.239 1.00 0.00 H new ATOM 0 HE1 HIS A 27 6.649 -6.433 3.863 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.624 -6.343 5.469 1.00 0.00 H new ATOM 393 N MET A 28 9.474 -6.660 -1.216 1.00 0.00 N ATOM 394 CA MET A 28 8.384 -7.249 -1.985 1.00 0.00 C ATOM 395 C MET A 28 8.658 -8.721 -2.276 1.00 0.00 C ATOM 396 O MET A 28 7.734 -9.533 -2.341 1.00 0.00 O ATOM 397 CB MET A 28 8.186 -6.486 -3.296 1.00 0.00 C ATOM 398 CG MET A 28 7.603 -5.095 -3.108 1.00 0.00 C ATOM 399 SD MET A 28 5.801 -5.083 -3.169 1.00 0.00 S ATOM 400 CE MET A 28 5.409 -4.547 -1.505 1.00 0.00 C ATOM 0 H MET A 28 9.894 -5.835 -1.643 1.00 0.00 H new ATOM 0 HA MET A 28 7.473 -7.178 -1.391 1.00 0.00 H new ATOM 0 HB2 MET A 28 9.145 -6.403 -3.807 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.528 -7.062 -3.946 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.933 -4.694 -2.150 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.993 -4.434 -3.882 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.327 -4.525 -1.375 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.846 -5.241 -0.787 1.00 0.00 H new ATOM 0 HE3 MET A 28 5.815 -3.549 -1.339 1.00 0.00 H new ATOM 410 N ARG A 29 9.931 -9.058 -2.451 1.00 0.00 N ATOM 411 CA ARG A 29 10.326 -10.433 -2.737 1.00 0.00 C ATOM 412 C ARG A 29 9.436 -11.420 -1.987 1.00 0.00 C ATOM 413 O ARG A 29 9.114 -12.493 -2.500 1.00 0.00 O ATOM 414 CB ARG A 29 11.790 -10.656 -2.353 1.00 0.00 C ATOM 415 CG ARG A 29 12.006 -10.849 -0.861 1.00 0.00 C ATOM 416 CD ARG A 29 13.444 -11.234 -0.552 1.00 0.00 C ATOM 417 NE ARG A 29 13.653 -12.677 -0.629 1.00 0.00 N ATOM 418 CZ ARG A 29 14.780 -13.277 -0.260 1.00 0.00 C ATOM 419 NH1 ARG A 29 15.793 -12.562 0.209 1.00 0.00 N ATOM 420 NH2 ARG A 29 14.894 -14.595 -0.360 1.00 0.00 N ATOM 0 H ARG A 29 10.707 -8.398 -2.400 1.00 0.00 H new ATOM 0 HA ARG A 29 10.209 -10.604 -3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 29 12.166 -11.532 -2.882 1.00 0.00 H new ATOM 0 HB3 ARG A 29 12.379 -9.803 -2.689 1.00 0.00 H new ATOM 0 HG2 ARG A 29 11.753 -9.929 -0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.333 -11.623 -0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 29 14.112 -10.733 -1.253 1.00 0.00 H new ATOM 0 HD3 ARG A 29 13.707 -10.882 0.446 1.00 0.00 H new ATOM 0 HE ARG A 29 12.893 -13.256 -0.985 1.00 0.00 H new ATOM 0 HH11 ARG A 29 15.709 -11.549 0.287 1.00 0.00 H new ATOM 0 HH12 ARG A 29 16.657 -13.025 0.491 1.00 0.00 H new ATOM 0 HH21 ARG A 29 14.116 -15.148 -0.720 1.00 0.00 H new ATOM 0 HH22 ARG A 29 15.759 -15.055 -0.077 1.00 0.00 H new ATOM 434 N CYS A 30 9.043 -11.051 -0.773 1.00 0.00 N ATOM 435 CA CYS A 30 8.192 -11.905 0.047 1.00 0.00 C ATOM 436 C CYS A 30 6.768 -11.937 -0.497 1.00 0.00 C ATOM 437 O CYS A 30 6.186 -13.007 -0.683 1.00 0.00 O ATOM 438 CB CYS A 30 8.186 -11.414 1.496 1.00 0.00 C ATOM 439 SG CYS A 30 9.734 -11.709 2.382 1.00 0.00 S ATOM 0 H CYS A 30 9.300 -10.166 -0.335 1.00 0.00 H new ATOM 0 HA CYS A 30 8.597 -12.917 0.015 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.973 -10.345 1.505 1.00 0.00 H new ATOM 0 HB3 CYS A 30 7.374 -11.906 2.032 1.00 0.00 H new ATOM 0 HG CYS A 30 9.632 -11.257 3.597 1.00 0.00 H new ATOM 445 N HIS A 31 6.210 -10.758 -0.751 1.00 0.00 N ATOM 446 CA HIS A 31 4.852 -10.651 -1.274 1.00 0.00 C ATOM 447 C HIS A 31 4.841 -10.804 -2.792 1.00 0.00 C ATOM 448 O HIS A 31 4.662 -9.830 -3.524 1.00 0.00 O ATOM 449 CB HIS A 31 4.236 -9.308 -0.880 1.00 0.00 C ATOM 450 CG HIS A 31 4.520 -8.911 0.536 1.00 0.00 C ATOM 451 ND1 HIS A 31 4.308 -9.750 1.610 1.00 0.00 N ATOM 452 CD2 HIS A 31 5.002 -7.756 1.052 1.00 0.00 C ATOM 453 CE1 HIS A 31 4.647 -9.128 2.725 1.00 0.00 C ATOM 454 NE2 HIS A 31 5.072 -7.917 2.414 1.00 0.00 N ATOM 0 H HIS A 31 6.677 -9.863 -0.603 1.00 0.00 H new ATOM 0 HA HIS A 31 4.257 -11.456 -0.841 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.614 -8.534 -1.548 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.157 -9.356 -1.026 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.946 -10.702 1.552 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.280 -6.873 0.496 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.587 -9.540 3.722 1.00 0.00 H new ATOM 535 N TYR A 37 -7.074 -15.696 -8.079 1.00 0.00 N ATOM 536 CA TYR A 37 -7.891 -16.668 -7.363 1.00 0.00 C ATOM 537 C TYR A 37 -7.571 -16.655 -5.871 1.00 0.00 C ATOM 538 O TYR A 37 -6.675 -17.364 -5.410 1.00 0.00 O ATOM 539 CB TYR A 37 -7.670 -18.071 -7.932 1.00 0.00 C ATOM 540 CG TYR A 37 -7.966 -18.178 -9.411 1.00 0.00 C ATOM 541 CD1 TYR A 37 -9.246 -17.949 -9.901 1.00 0.00 C ATOM 542 CD2 TYR A 37 -6.967 -18.509 -10.317 1.00 0.00 C ATOM 543 CE1 TYR A 37 -9.522 -18.047 -11.251 1.00 0.00 C ATOM 544 CE2 TYR A 37 -7.233 -18.607 -11.669 1.00 0.00 C ATOM 545 CZ TYR A 37 -8.512 -18.375 -12.131 1.00 0.00 C ATOM 546 OH TYR A 37 -8.781 -18.474 -13.477 1.00 0.00 O ATOM 0 HA TYR A 37 -8.937 -16.392 -7.494 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.636 -18.367 -7.755 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.301 -18.777 -7.392 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -10.039 -17.690 -9.215 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -5.965 -18.693 -9.958 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -10.523 -17.868 -11.615 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -6.444 -18.864 -12.360 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.961 -18.712 -13.958 1.00 0.00 H new ATOM 556 N LYS A 38 -8.309 -15.845 -5.121 1.00 0.00 N ATOM 557 CA LYS A 38 -8.107 -15.739 -3.681 1.00 0.00 C ATOM 558 C LYS A 38 -9.422 -15.931 -2.932 1.00 0.00 C ATOM 559 O LYS A 38 -10.484 -15.530 -3.408 1.00 0.00 O ATOM 560 CB LYS A 38 -7.501 -14.379 -3.329 1.00 0.00 C ATOM 561 CG LYS A 38 -6.018 -14.275 -3.640 1.00 0.00 C ATOM 562 CD LYS A 38 -5.558 -12.827 -3.684 1.00 0.00 C ATOM 563 CE LYS A 38 -5.259 -12.295 -2.291 1.00 0.00 C ATOM 564 NZ LYS A 38 -6.481 -11.765 -1.625 1.00 0.00 N ATOM 0 H LYS A 38 -9.054 -15.251 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.417 -16.526 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.034 -13.601 -3.876 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.655 -14.186 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.448 -14.816 -2.885 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.812 -14.753 -4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.666 -12.746 -4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.328 -12.213 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.830 -13.091 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.510 -11.506 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.255 -10.869 -1.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.221 -11.602 -2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.821 -12.454 -0.924 1.00 0.00 H new ATOM 578 N CYS A 39 -9.344 -16.547 -1.756 1.00 0.00 N ATOM 579 CA CYS A 39 -10.527 -16.791 -0.940 1.00 0.00 C ATOM 580 C CYS A 39 -11.240 -15.483 -0.611 1.00 0.00 C ATOM 581 O CYS A 39 -10.674 -14.400 -0.757 1.00 0.00 O ATOM 582 CB CYS A 39 -10.140 -17.514 0.352 1.00 0.00 C ATOM 583 SG CYS A 39 -11.550 -18.238 1.249 1.00 0.00 S ATOM 0 H CYS A 39 -8.473 -16.886 -1.347 1.00 0.00 H new ATOM 0 HA CYS A 39 -11.209 -17.421 -1.511 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.429 -18.305 0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.627 -16.812 1.009 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.193 -18.515 2.468 1.00 0.00 H new ATOM 588 N LYS A 40 -12.487 -15.592 -0.165 1.00 0.00 N ATOM 589 CA LYS A 40 -13.279 -14.419 0.187 1.00 0.00 C ATOM 590 C LYS A 40 -12.826 -13.837 1.522 1.00 0.00 C ATOM 591 O LYS A 40 -12.767 -12.619 1.693 1.00 0.00 O ATOM 592 CB LYS A 40 -14.764 -14.783 0.255 1.00 0.00 C ATOM 593 CG LYS A 40 -15.691 -13.590 0.100 1.00 0.00 C ATOM 594 CD LYS A 40 -15.827 -13.176 -1.356 1.00 0.00 C ATOM 595 CE LYS A 40 -16.542 -11.840 -1.491 1.00 0.00 C ATOM 596 NZ LYS A 40 -18.021 -11.992 -1.405 1.00 0.00 N ATOM 0 H LYS A 40 -12.971 -16.481 -0.039 1.00 0.00 H new ATOM 0 HA LYS A 40 -13.130 -13.666 -0.587 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -14.987 -15.510 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -14.967 -15.268 1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.673 -13.837 0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.309 -12.752 0.683 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.838 -13.108 -1.810 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.377 -13.941 -1.903 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -16.200 -11.164 -0.707 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -16.279 -11.382 -2.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -18.472 -11.060 -1.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.351 -12.617 -2.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.275 -12.406 -0.485 1.00 0.00 H new ATOM 610 N THR A 41 -12.503 -14.716 2.467 1.00 0.00 N ATOM 611 CA THR A 41 -12.054 -14.289 3.786 1.00 0.00 C ATOM 612 C THR A 41 -10.582 -14.622 4.000 1.00 0.00 C ATOM 613 O THR A 41 -9.790 -13.760 4.383 1.00 0.00 O ATOM 614 CB THR A 41 -12.885 -14.949 4.902 1.00 0.00 C ATOM 615 OG1 THR A 41 -12.473 -14.450 6.180 1.00 0.00 O ATOM 616 CG2 THR A 41 -12.731 -16.462 4.870 1.00 0.00 C ATOM 0 H THR A 41 -12.544 -15.728 2.343 1.00 0.00 H new ATOM 0 HA THR A 41 -12.190 -13.208 3.832 1.00 0.00 H new ATOM 0 HB THR A 41 -13.934 -14.703 4.737 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.007 -14.873 6.884 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.327 -16.905 5.668 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.073 -16.842 3.907 1.00 0.00 H new ATOM 0 HG23 THR A 41 -11.683 -16.724 5.012 1.00 0.00 H new ATOM 624 N CYS A 42 -10.221 -15.876 3.750 1.00 0.00 N ATOM 625 CA CYS A 42 -8.843 -16.322 3.914 1.00 0.00 C ATOM 626 C CYS A 42 -7.914 -15.585 2.955 1.00 0.00 C ATOM 627 O CYS A 42 -8.364 -14.967 1.990 1.00 0.00 O ATOM 628 CB CYS A 42 -8.743 -17.831 3.681 1.00 0.00 C ATOM 629 SG CYS A 42 -10.033 -18.802 4.524 1.00 0.00 S ATOM 0 H CYS A 42 -10.864 -16.602 3.433 1.00 0.00 H new ATOM 0 HA CYS A 42 -8.534 -16.097 4.935 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.798 -18.027 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.765 -18.176 4.018 1.00 0.00 H new ATOM 0 HG CYS A 42 -9.865 -20.065 4.264 1.00 0.00 H new ATOM 634 N ASP A 43 -6.615 -15.655 3.227 1.00 0.00 N ATOM 635 CA ASP A 43 -5.622 -14.996 2.387 1.00 0.00 C ATOM 636 C ASP A 43 -4.866 -16.014 1.538 1.00 0.00 C ATOM 637 O ASP A 43 -3.662 -15.881 1.317 1.00 0.00 O ATOM 638 CB ASP A 43 -4.639 -14.203 3.250 1.00 0.00 C ATOM 639 CG ASP A 43 -5.325 -13.476 4.390 1.00 0.00 C ATOM 640 OD1 ASP A 43 -5.909 -12.401 4.140 1.00 0.00 O ATOM 641 OD2 ASP A 43 -5.277 -13.981 5.531 1.00 0.00 O ATOM 0 H ASP A 43 -6.226 -16.161 4.022 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.144 -14.310 1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.887 -14.880 3.655 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.113 -13.480 2.626 1.00 0.00 H new ATOM 646 N TYR A 44 -5.580 -17.030 1.067 1.00 0.00 N ATOM 647 CA TYR A 44 -4.976 -18.072 0.245 1.00 0.00 C ATOM 648 C TYR A 44 -5.098 -17.736 -1.238 1.00 0.00 C ATOM 649 O TYR A 44 -6.146 -17.286 -1.700 1.00 0.00 O ATOM 650 CB TYR A 44 -5.638 -19.422 0.529 1.00 0.00 C ATOM 651 CG TYR A 44 -5.440 -20.437 -0.573 1.00 0.00 C ATOM 652 CD1 TYR A 44 -4.165 -20.801 -0.988 1.00 0.00 C ATOM 653 CD2 TYR A 44 -6.527 -21.034 -1.199 1.00 0.00 C ATOM 654 CE1 TYR A 44 -3.979 -21.728 -1.995 1.00 0.00 C ATOM 655 CE2 TYR A 44 -6.351 -21.963 -2.206 1.00 0.00 C ATOM 656 CZ TYR A 44 -5.075 -22.306 -2.601 1.00 0.00 C ATOM 657 OH TYR A 44 -4.894 -23.231 -3.604 1.00 0.00 O ATOM 0 H TYR A 44 -6.577 -17.154 1.240 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.918 -18.132 0.499 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.237 -19.825 1.459 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.706 -19.268 0.682 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.304 -20.351 -0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.528 -20.767 -0.893 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.981 -21.999 -2.306 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -7.208 -22.418 -2.681 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.271 -22.873 -4.271 1.00 0.00 H new ATOM 667 N ALA A 45 -4.017 -17.958 -1.978 1.00 0.00 N ATOM 668 CA ALA A 45 -4.001 -17.681 -3.409 1.00 0.00 C ATOM 669 C ALA A 45 -3.699 -18.944 -4.209 1.00 0.00 C ATOM 670 O ALA A 45 -2.710 -19.629 -3.954 1.00 0.00 O ATOM 671 CB ALA A 45 -2.982 -16.596 -3.726 1.00 0.00 C ATOM 0 H ALA A 45 -3.141 -18.329 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.991 -17.328 -3.697 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.981 -16.400 -4.798 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.244 -15.683 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.990 -16.927 -3.417 1.00 0.00 H new ATOM 677 N ALA A 46 -4.558 -19.245 -5.177 1.00 0.00 N ATOM 678 CA ALA A 46 -4.382 -20.425 -6.015 1.00 0.00 C ATOM 679 C ALA A 46 -4.097 -20.033 -7.461 1.00 0.00 C ATOM 680 O ALA A 46 -4.524 -18.976 -7.924 1.00 0.00 O ATOM 681 CB ALA A 46 -5.614 -21.314 -5.940 1.00 0.00 C ATOM 0 H ALA A 46 -5.383 -18.688 -5.400 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.523 -20.982 -5.641 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.469 -22.191 -6.570 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.772 -21.630 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.485 -20.758 -6.287 1.00 0.00 H new ATOM 687 N ALA A 47 -3.371 -20.892 -8.170 1.00 0.00 N ATOM 688 CA ALA A 47 -3.031 -20.637 -9.564 1.00 0.00 C ATOM 689 C ALA A 47 -4.181 -21.019 -10.489 1.00 0.00 C ATOM 690 O ALA A 47 -4.560 -20.251 -11.374 1.00 0.00 O ATOM 691 CB ALA A 47 -1.768 -21.395 -9.946 1.00 0.00 C ATOM 0 H ALA A 47 -3.007 -21.771 -7.801 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.849 -19.568 -9.678 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.526 -21.195 -10.990 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.943 -21.069 -9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.930 -22.464 -9.809 1.00 0.00 H new ATOM 697 N ASP A 48 -4.731 -22.210 -10.281 1.00 0.00 N ATOM 698 CA ASP A 48 -5.839 -22.694 -11.096 1.00 0.00 C ATOM 699 C ASP A 48 -7.176 -22.403 -10.424 1.00 0.00 C ATOM 700 O ASP A 48 -7.382 -22.738 -9.257 1.00 0.00 O ATOM 701 CB ASP A 48 -5.696 -24.196 -11.348 1.00 0.00 C ATOM 702 CG ASP A 48 -5.552 -24.987 -10.063 1.00 0.00 C ATOM 703 OD1 ASP A 48 -4.590 -24.725 -9.310 1.00 0.00 O ATOM 704 OD2 ASP A 48 -6.399 -25.869 -9.810 1.00 0.00 O ATOM 0 H ASP A 48 -4.427 -22.858 -9.555 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.812 -22.169 -12.051 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.567 -24.554 -11.896 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.826 -24.374 -11.980 1.00 0.00 H new ATOM 709 N SER A 49 -8.083 -21.776 -11.167 1.00 0.00 N ATOM 710 CA SER A 49 -9.399 -21.435 -10.641 1.00 0.00 C ATOM 711 C SER A 49 -9.945 -22.562 -9.770 1.00 0.00 C ATOM 712 O SER A 49 -10.163 -22.385 -8.571 1.00 0.00 O ATOM 713 CB SER A 49 -10.370 -21.146 -11.788 1.00 0.00 C ATOM 714 OG SER A 49 -10.462 -22.251 -12.670 1.00 0.00 O ATOM 0 H SER A 49 -7.930 -21.494 -12.135 1.00 0.00 H new ATOM 0 HA SER A 49 -9.297 -20.541 -10.026 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.356 -20.916 -11.384 1.00 0.00 H new ATOM 0 HB3 SER A 49 -10.037 -20.265 -12.337 1.00 0.00 H new ATOM 0 HG SER A 49 -11.090 -22.041 -13.393 1.00 0.00 H new ATOM 720 N SER A 50 -10.163 -23.722 -10.382 1.00 0.00 N ATOM 721 CA SER A 50 -10.687 -24.878 -9.664 1.00 0.00 C ATOM 722 C SER A 50 -10.138 -24.928 -8.241 1.00 0.00 C ATOM 723 O SER A 50 -10.893 -25.058 -7.277 1.00 0.00 O ATOM 724 CB SER A 50 -10.332 -26.169 -10.405 1.00 0.00 C ATOM 725 OG SER A 50 -8.929 -26.306 -10.546 1.00 0.00 O ATOM 0 H SER A 50 -9.985 -23.886 -11.373 1.00 0.00 H new ATOM 0 HA SER A 50 -11.772 -24.783 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.732 -27.025 -9.862 1.00 0.00 H new ATOM 0 HB3 SER A 50 -10.801 -26.168 -11.389 1.00 0.00 H new ATOM 0 HG SER A 50 -8.728 -27.139 -11.021 1.00 0.00 H new ATOM 731 N SER A 51 -8.819 -24.824 -8.118 1.00 0.00 N ATOM 732 CA SER A 51 -8.167 -24.861 -6.814 1.00 0.00 C ATOM 733 C SER A 51 -8.926 -24.008 -5.803 1.00 0.00 C ATOM 734 O SER A 51 -9.249 -24.464 -4.705 1.00 0.00 O ATOM 735 CB SER A 51 -6.722 -24.373 -6.928 1.00 0.00 C ATOM 736 OG SER A 51 -6.013 -24.591 -5.721 1.00 0.00 O ATOM 0 H SER A 51 -8.180 -24.713 -8.906 1.00 0.00 H new ATOM 0 HA SER A 51 -8.167 -25.894 -6.465 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.223 -24.893 -7.746 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.712 -23.311 -7.173 1.00 0.00 H new ATOM 0 HG SER A 51 -5.965 -23.754 -5.214 1.00 0.00 H new ATOM 742 N LEU A 52 -9.209 -22.766 -6.181 1.00 0.00 N ATOM 743 CA LEU A 52 -9.931 -21.846 -5.308 1.00 0.00 C ATOM 744 C LEU A 52 -11.376 -22.296 -5.118 1.00 0.00 C ATOM 745 O LEU A 52 -11.930 -22.193 -4.025 1.00 0.00 O ATOM 746 CB LEU A 52 -9.897 -20.431 -5.887 1.00 0.00 C ATOM 747 CG LEU A 52 -10.711 -19.378 -5.133 1.00 0.00 C ATOM 748 CD1 LEU A 52 -9.943 -18.879 -3.918 1.00 0.00 C ATOM 749 CD2 LEU A 52 -11.067 -18.220 -6.053 1.00 0.00 C ATOM 0 H LEU A 52 -8.950 -22.373 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 52 -9.440 -21.846 -4.335 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.859 -20.100 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.257 -20.472 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.636 -19.840 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.537 -18.131 -3.394 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.739 -19.714 -3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.002 -18.434 -4.240 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.646 -17.481 -5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.153 -17.759 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -11.657 -18.590 -6.891 1.00 0.00 H new ATOM 761 N ASN A 53 -11.980 -22.797 -6.191 1.00 0.00 N ATOM 762 CA ASN A 53 -13.360 -23.265 -6.142 1.00 0.00 C ATOM 763 C ASN A 53 -13.531 -24.347 -5.080 1.00 0.00 C ATOM 764 O ASN A 53 -14.495 -24.334 -4.314 1.00 0.00 O ATOM 765 CB ASN A 53 -13.786 -23.805 -7.509 1.00 0.00 C ATOM 766 CG ASN A 53 -14.387 -22.730 -8.394 1.00 0.00 C ATOM 767 OD1 ASN A 53 -14.179 -21.538 -8.169 1.00 0.00 O ATOM 768 ND2 ASN A 53 -15.139 -23.149 -9.405 1.00 0.00 N ATOM 0 H ASN A 53 -11.535 -22.889 -7.104 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.995 -22.419 -5.878 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.922 -24.242 -8.009 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.513 -24.605 -7.370 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.572 -22.472 -10.033 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.284 -24.148 -9.553 1.00 0.00 H new ATOM 775 N LYS A 54 -12.588 -25.282 -5.039 1.00 0.00 N ATOM 776 CA LYS A 54 -12.631 -26.371 -4.070 1.00 0.00 C ATOM 777 C LYS A 54 -12.420 -25.847 -2.653 1.00 0.00 C ATOM 778 O LYS A 54 -13.085 -26.284 -1.713 1.00 0.00 O ATOM 779 CB LYS A 54 -11.566 -27.419 -4.402 1.00 0.00 C ATOM 780 CG LYS A 54 -11.841 -28.780 -3.788 1.00 0.00 C ATOM 781 CD LYS A 54 -12.664 -29.656 -4.718 1.00 0.00 C ATOM 782 CE LYS A 54 -11.788 -30.351 -5.749 1.00 0.00 C ATOM 783 NZ LYS A 54 -12.573 -31.277 -6.610 1.00 0.00 N ATOM 0 H LYS A 54 -11.784 -25.308 -5.666 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.616 -26.834 -4.124 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -11.498 -27.525 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.596 -27.062 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.897 -29.275 -3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -12.370 -28.654 -2.843 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.203 -30.402 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -13.412 -29.047 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.298 -29.603 -6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.001 -30.908 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.940 -31.731 -7.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.020 -32.006 -6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.308 -30.742 -7.115 1.00 0.00 H new ATOM 797 N HIS A 55 -11.491 -24.907 -2.507 1.00 0.00 N ATOM 798 CA HIS A 55 -11.194 -24.322 -1.204 1.00 0.00 C ATOM 799 C HIS A 55 -12.460 -23.768 -0.556 1.00 0.00 C ATOM 800 O HIS A 55 -12.629 -23.839 0.662 1.00 0.00 O ATOM 801 CB HIS A 55 -10.152 -23.213 -1.345 1.00 0.00 C ATOM 802 CG HIS A 55 -9.891 -22.470 -0.071 1.00 0.00 C ATOM 803 ND1 HIS A 55 -9.037 -22.933 0.908 1.00 0.00 N ATOM 804 CD2 HIS A 55 -10.375 -21.290 0.381 1.00 0.00 C ATOM 805 CE1 HIS A 55 -9.010 -22.070 1.908 1.00 0.00 C ATOM 806 NE2 HIS A 55 -9.813 -21.064 1.613 1.00 0.00 N ATOM 0 H HIS A 55 -10.931 -24.534 -3.274 1.00 0.00 H new ATOM 0 HA HIS A 55 -10.793 -25.107 -0.563 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.218 -23.647 -1.701 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.485 -22.507 -2.106 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.074 -20.646 -0.132 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -8.430 -22.170 2.813 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.987 -20.251 2.204 1.00 0.00 H new ATOM 814 N LEU A 56 -13.346 -23.215 -1.378 1.00 0.00 N ATOM 815 CA LEU A 56 -14.596 -22.648 -0.885 1.00 0.00 C ATOM 816 C LEU A 56 -15.498 -23.735 -0.310 1.00 0.00 C ATOM 817 O LEU A 56 -16.370 -23.460 0.515 1.00 0.00 O ATOM 818 CB LEU A 56 -15.322 -21.909 -2.010 1.00 0.00 C ATOM 819 CG LEU A 56 -14.541 -20.784 -2.688 1.00 0.00 C ATOM 820 CD1 LEU A 56 -15.242 -20.338 -3.962 1.00 0.00 C ATOM 821 CD2 LEU A 56 -14.363 -19.610 -1.736 1.00 0.00 C ATOM 0 H LEU A 56 -13.222 -23.147 -2.388 1.00 0.00 H new ATOM 0 HA LEU A 56 -14.357 -21.942 -0.090 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -15.606 -22.636 -2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -16.245 -21.492 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.555 -21.163 -2.955 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -14.671 -19.536 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.317 -21.180 -4.650 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -16.242 -19.977 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -13.805 -18.818 -2.235 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -15.341 -19.232 -1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.816 -19.938 -0.852 1.00 0.00 H new ATOM 833 N ARG A 57 -15.280 -24.971 -0.748 1.00 0.00 N ATOM 834 CA ARG A 57 -16.073 -26.100 -0.277 1.00 0.00 C ATOM 835 C ARG A 57 -16.036 -26.191 1.246 1.00 0.00 C ATOM 836 O ARG A 57 -17.078 -26.195 1.903 1.00 0.00 O ATOM 837 CB ARG A 57 -15.558 -27.403 -0.889 1.00 0.00 C ATOM 838 CG ARG A 57 -15.505 -27.384 -2.408 1.00 0.00 C ATOM 839 CD ARG A 57 -16.837 -27.791 -3.017 1.00 0.00 C ATOM 840 NE ARG A 57 -17.119 -29.210 -2.818 1.00 0.00 N ATOM 841 CZ ARG A 57 -18.140 -29.843 -3.383 1.00 0.00 C ATOM 842 NH1 ARG A 57 -18.973 -29.187 -4.179 1.00 0.00 N ATOM 843 NH2 ARG A 57 -18.331 -31.136 -3.154 1.00 0.00 N ATOM 0 H ARG A 57 -14.561 -25.216 -1.428 1.00 0.00 H new ATOM 0 HA ARG A 57 -17.105 -25.943 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.560 -27.607 -0.502 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -16.199 -28.224 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -15.237 -26.385 -2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.724 -28.060 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -17.635 -27.197 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -16.831 -27.569 -4.084 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.497 -29.744 -2.211 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -18.830 -28.193 -4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -19.757 -29.676 -4.612 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -17.693 -31.645 -2.543 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.116 -31.620 -3.589 1.00 0.00 H new ATOM 857 N ILE A 58 -14.831 -26.265 1.800 1.00 0.00 N ATOM 858 CA ILE A 58 -14.659 -26.355 3.245 1.00 0.00 C ATOM 859 C ILE A 58 -15.524 -25.328 3.967 1.00 0.00 C ATOM 860 O ILE A 58 -16.051 -25.594 5.048 1.00 0.00 O ATOM 861 CB ILE A 58 -13.188 -26.148 3.651 1.00 0.00 C ATOM 862 CG1 ILE A 58 -12.905 -24.662 3.883 1.00 0.00 C ATOM 863 CG2 ILE A 58 -12.260 -26.709 2.584 1.00 0.00 C ATOM 864 CD1 ILE A 58 -11.433 -24.340 4.011 1.00 0.00 C ATOM 0 H ILE A 58 -13.959 -26.264 1.271 1.00 0.00 H new ATOM 0 HA ILE A 58 -14.970 -27.358 3.538 1.00 0.00 H new ATOM 0 HB ILE A 58 -13.004 -26.684 4.582 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.324 -24.087 3.057 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.419 -24.340 4.788 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.224 -26.555 2.885 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -12.448 -27.776 2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -12.442 -26.199 1.638 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.308 -23.270 4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.013 -24.887 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -10.916 -24.631 3.097 1.00 0.00 H new ATOM 876 N HIS A 59 -15.668 -24.153 3.362 1.00 0.00 N ATOM 877 CA HIS A 59 -16.472 -23.086 3.946 1.00 0.00 C ATOM 878 C HIS A 59 -17.961 -23.391 3.811 1.00 0.00 C ATOM 879 O HIS A 59 -18.493 -23.456 2.703 1.00 0.00 O ATOM 880 CB HIS A 59 -16.150 -21.750 3.274 1.00 0.00 C ATOM 881 CG HIS A 59 -14.737 -21.299 3.485 1.00 0.00 C ATOM 882 ND1 HIS A 59 -13.593 -21.647 2.852 1.00 0.00 N flip ATOM 883 CD2 HIS A 59 -14.377 -20.379 4.448 1.00 0.00 C flip ATOM 884 CE1 HIS A 59 -12.572 -20.938 3.437 1.00 0.00 C flip ATOM 885 NE2 HIS A 59 -13.072 -20.180 4.396 1.00 0.00 N flip ATOM 0 H HIS A 59 -15.238 -23.916 2.468 1.00 0.00 H new ATOM 0 HA HIS A 59 -16.228 -23.019 5.006 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -16.339 -21.836 2.204 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -16.827 -20.987 3.658 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.056 -19.897 5.136 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.530 -20.992 3.158 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.541 -19.548 4.995 1.00 0.00 H new ATOM 955 N PRO A 64 -27.844 -21.039 -2.771 1.00 0.00 N ATOM 956 CA PRO A 64 -28.541 -21.681 -3.890 1.00 0.00 C ATOM 957 C PRO A 64 -28.875 -20.697 -5.006 1.00 0.00 C ATOM 958 O PRO A 64 -28.927 -21.068 -6.179 1.00 0.00 O ATOM 959 CB PRO A 64 -29.823 -22.217 -3.248 1.00 0.00 C ATOM 960 CG PRO A 64 -30.050 -21.340 -2.065 1.00 0.00 C ATOM 961 CD PRO A 64 -28.684 -20.959 -1.565 1.00 0.00 C ATOM 0 HA PRO A 64 -27.931 -22.450 -4.363 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -30.662 -22.171 -3.942 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -29.711 -23.260 -2.952 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -30.626 -20.456 -2.339 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -30.616 -21.863 -1.294 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -28.678 -19.957 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -28.337 -21.639 -0.788 1.00 0.00 H new ATOM 969 N PHE A 65 -29.099 -19.441 -4.634 1.00 0.00 N ATOM 970 CA PHE A 65 -29.428 -18.403 -5.604 1.00 0.00 C ATOM 971 C PHE A 65 -28.175 -17.914 -6.323 1.00 0.00 C ATOM 972 O PHE A 65 -27.097 -17.832 -5.733 1.00 0.00 O ATOM 973 CB PHE A 65 -30.123 -17.230 -4.911 1.00 0.00 C ATOM 974 CG PHE A 65 -31.362 -17.626 -4.160 1.00 0.00 C ATOM 975 CD1 PHE A 65 -32.585 -17.708 -4.807 1.00 0.00 C ATOM 976 CD2 PHE A 65 -31.304 -17.916 -2.806 1.00 0.00 C ATOM 977 CE1 PHE A 65 -33.726 -18.072 -4.118 1.00 0.00 C ATOM 978 CE2 PHE A 65 -32.442 -18.280 -2.111 1.00 0.00 C ATOM 979 CZ PHE A 65 -33.655 -18.359 -2.768 1.00 0.00 C ATOM 0 H PHE A 65 -29.059 -19.117 -3.668 1.00 0.00 H new ATOM 0 HA PHE A 65 -30.105 -18.832 -6.343 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -29.423 -16.761 -4.220 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -30.385 -16.480 -5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -32.647 -17.485 -5.862 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -30.358 -17.857 -2.288 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -34.673 -18.132 -4.634 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -32.383 -18.502 -1.056 1.00 0.00 H new ATOM 0 HZ PHE A 65 -34.546 -18.644 -2.228 1.00 0.00 H new ATOM 989 N LYS A 66 -28.323 -17.589 -7.603 1.00 0.00 N ATOM 990 CA LYS A 66 -27.205 -17.107 -8.405 1.00 0.00 C ATOM 991 C LYS A 66 -27.685 -16.136 -9.480 1.00 0.00 C ATOM 992 O LYS A 66 -28.588 -16.450 -10.256 1.00 0.00 O ATOM 993 CB LYS A 66 -26.472 -18.282 -9.055 1.00 0.00 C ATOM 994 CG LYS A 66 -25.586 -19.054 -8.093 1.00 0.00 C ATOM 995 CD LYS A 66 -24.924 -20.240 -8.773 1.00 0.00 C ATOM 996 CE LYS A 66 -25.876 -21.422 -8.885 1.00 0.00 C ATOM 997 NZ LYS A 66 -26.707 -21.350 -10.118 1.00 0.00 N ATOM 0 H LYS A 66 -29.207 -17.651 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 66 -26.518 -16.579 -7.744 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -27.206 -18.963 -9.486 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -25.862 -17.908 -9.877 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -24.821 -18.391 -7.690 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -26.181 -19.403 -7.249 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -24.586 -19.948 -9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -24.039 -20.536 -8.210 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -25.304 -22.350 -8.886 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -26.526 -21.449 -8.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -27.661 -21.015 -9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -26.270 -20.691 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -26.771 -22.294 -10.549 1.00 0.00 H new ATOM 1011 N CYS A 67 -27.075 -14.957 -9.521 1.00 0.00 N ATOM 1012 CA CYS A 67 -27.439 -13.940 -10.501 1.00 0.00 C ATOM 1013 C CYS A 67 -27.025 -14.367 -11.906 1.00 0.00 C ATOM 1014 O CYS A 67 -26.161 -15.227 -12.075 1.00 0.00 O ATOM 1015 CB CYS A 67 -26.783 -12.604 -10.148 1.00 0.00 C ATOM 1016 SG CYS A 67 -27.175 -11.255 -11.308 1.00 0.00 S ATOM 0 H CYS A 67 -26.325 -14.681 -8.886 1.00 0.00 H new ATOM 0 HA CYS A 67 -28.522 -13.822 -10.480 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -27.097 -12.310 -9.146 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -25.702 -12.739 -10.116 1.00 0.00 H new ATOM 0 HG CYS A 67 -27.950 -10.391 -10.722 1.00 0.00 H new ATOM 1021 N GLN A 68 -27.649 -13.760 -12.910 1.00 0.00 N ATOM 1022 CA GLN A 68 -27.346 -14.077 -14.301 1.00 0.00 C ATOM 1023 C GLN A 68 -26.220 -13.194 -14.828 1.00 0.00 C ATOM 1024 O GLN A 68 -25.177 -13.691 -15.256 1.00 0.00 O ATOM 1025 CB GLN A 68 -28.594 -13.905 -15.169 1.00 0.00 C ATOM 1026 CG GLN A 68 -29.489 -15.133 -15.197 1.00 0.00 C ATOM 1027 CD GLN A 68 -30.862 -14.842 -15.770 1.00 0.00 C ATOM 1028 OE1 GLN A 68 -31.688 -14.188 -15.132 1.00 0.00 O ATOM 1029 NE2 GLN A 68 -31.114 -15.326 -16.981 1.00 0.00 N ATOM 0 H GLN A 68 -28.367 -13.046 -12.787 1.00 0.00 H new ATOM 0 HA GLN A 68 -27.020 -15.116 -14.348 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -29.169 -13.055 -14.800 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -28.288 -13.665 -16.187 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -29.010 -15.913 -15.789 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -29.597 -15.522 -14.185 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -30.401 -15.863 -17.474 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -32.021 -15.161 -17.418 1.00 0.00 H new ATOM 1038 N ILE A 69 -26.437 -11.884 -14.794 1.00 0.00 N ATOM 1039 CA ILE A 69 -25.440 -10.932 -15.268 1.00 0.00 C ATOM 1040 C ILE A 69 -24.086 -11.183 -14.614 1.00 0.00 C ATOM 1041 O ILE A 69 -23.063 -11.279 -15.293 1.00 0.00 O ATOM 1042 CB ILE A 69 -25.870 -9.480 -14.990 1.00 0.00 C ATOM 1043 CG1 ILE A 69 -27.219 -9.189 -15.651 1.00 0.00 C ATOM 1044 CG2 ILE A 69 -24.810 -8.509 -15.486 1.00 0.00 C ATOM 1045 CD1 ILE A 69 -28.405 -9.490 -14.763 1.00 0.00 C ATOM 0 H ILE A 69 -27.294 -11.457 -14.443 1.00 0.00 H new ATOM 0 HA ILE A 69 -25.354 -11.076 -16.345 1.00 0.00 H new ATOM 0 HB ILE A 69 -25.979 -9.349 -13.913 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -27.252 -8.140 -15.944 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -27.301 -9.778 -16.565 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -25.129 -7.487 -15.282 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -23.869 -8.705 -14.973 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -24.672 -8.639 -16.559 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -29.327 -9.260 -15.297 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -28.397 -10.545 -14.491 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -28.347 -8.882 -13.860 1.00 0.00 H new ATOM 1057 N CYS A 70 -24.086 -11.291 -13.289 1.00 0.00 N ATOM 1058 CA CYS A 70 -22.858 -11.533 -12.541 1.00 0.00 C ATOM 1059 C CYS A 70 -22.933 -12.858 -11.787 1.00 0.00 C ATOM 1060 O CYS A 70 -24.008 -13.336 -11.427 1.00 0.00 O ATOM 1061 CB CYS A 70 -22.601 -10.389 -11.559 1.00 0.00 C ATOM 1062 SG CYS A 70 -23.855 -10.238 -10.247 1.00 0.00 S ATOM 0 H CYS A 70 -24.923 -11.215 -12.711 1.00 0.00 H new ATOM 0 HA CYS A 70 -22.033 -11.585 -13.252 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -21.624 -10.533 -11.098 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -22.556 -9.452 -12.114 1.00 0.00 H new ATOM 0 HG CYS A 70 -25.010 -10.619 -10.705 1.00 0.00 H new ATOM 1067 N PRO A 71 -21.762 -13.465 -11.541 1.00 0.00 N ATOM 1068 CA PRO A 71 -21.668 -14.742 -10.827 1.00 0.00 C ATOM 1069 C PRO A 71 -22.020 -14.607 -9.350 1.00 0.00 C ATOM 1070 O PRO A 71 -21.918 -15.569 -8.587 1.00 0.00 O ATOM 1071 CB PRO A 71 -20.197 -15.133 -10.993 1.00 0.00 C ATOM 1072 CG PRO A 71 -19.483 -13.842 -11.199 1.00 0.00 C ATOM 1073 CD PRO A 71 -20.441 -12.952 -11.941 1.00 0.00 C ATOM 0 HA PRO A 71 -22.367 -15.481 -11.219 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -19.824 -15.655 -10.112 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -20.059 -15.802 -11.842 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -19.197 -13.398 -10.246 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -18.566 -13.990 -11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -20.315 -11.906 -11.663 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -20.295 -13.015 -13.019 1.00 0.00 H new ATOM 1081 N TYR A 72 -22.434 -13.410 -8.952 1.00 0.00 N ATOM 1082 CA TYR A 72 -22.799 -13.149 -7.565 1.00 0.00 C ATOM 1083 C TYR A 72 -23.794 -14.189 -7.059 1.00 0.00 C ATOM 1084 O TYR A 72 -24.413 -14.906 -7.844 1.00 0.00 O ATOM 1085 CB TYR A 72 -23.395 -11.747 -7.427 1.00 0.00 C ATOM 1086 CG TYR A 72 -23.882 -11.431 -6.031 1.00 0.00 C ATOM 1087 CD1 TYR A 72 -23.007 -10.969 -5.056 1.00 0.00 C ATOM 1088 CD2 TYR A 72 -25.218 -11.595 -5.686 1.00 0.00 C ATOM 1089 CE1 TYR A 72 -23.447 -10.679 -3.779 1.00 0.00 C ATOM 1090 CE2 TYR A 72 -25.668 -11.307 -4.412 1.00 0.00 C ATOM 1091 CZ TYR A 72 -24.779 -10.849 -3.462 1.00 0.00 C ATOM 1092 OH TYR A 72 -25.222 -10.562 -2.192 1.00 0.00 O ATOM 0 H TYR A 72 -22.525 -12.604 -9.571 1.00 0.00 H new ATOM 0 HA TYR A 72 -21.895 -13.213 -6.960 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -22.644 -11.012 -7.716 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -24.226 -11.644 -8.125 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -21.964 -10.834 -5.301 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -25.917 -11.954 -6.427 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -22.752 -10.321 -3.033 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -26.710 -11.440 -4.161 1.00 0.00 H new ATOM 0 HH TYR A 72 -26.185 -10.734 -2.135 1.00 0.00 H new ATOM 1102 N ALA A 73 -23.943 -14.264 -5.740 1.00 0.00 N ATOM 1103 CA ALA A 73 -24.864 -15.213 -5.128 1.00 0.00 C ATOM 1104 C ALA A 73 -25.387 -14.689 -3.795 1.00 0.00 C ATOM 1105 O ALA A 73 -24.758 -13.842 -3.160 1.00 0.00 O ATOM 1106 CB ALA A 73 -24.183 -16.560 -4.936 1.00 0.00 C ATOM 0 H ALA A 73 -23.437 -13.679 -5.075 1.00 0.00 H new ATOM 0 HA ALA A 73 -25.714 -15.340 -5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -24.882 -17.259 -4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -23.864 -16.947 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -23.314 -16.440 -4.289 1.00 0.00 H new ATOM 1112 N SER A 74 -26.542 -15.196 -3.377 1.00 0.00 N ATOM 1113 CA SER A 74 -27.152 -14.775 -2.121 1.00 0.00 C ATOM 1114 C SER A 74 -27.811 -15.956 -1.414 1.00 0.00 C ATOM 1115 O SER A 74 -28.293 -16.888 -2.058 1.00 0.00 O ATOM 1116 CB SER A 74 -28.187 -13.677 -2.376 1.00 0.00 C ATOM 1117 OG SER A 74 -29.246 -14.152 -3.188 1.00 0.00 O ATOM 0 H SER A 74 -27.074 -15.899 -3.890 1.00 0.00 H new ATOM 0 HA SER A 74 -26.365 -14.382 -1.477 1.00 0.00 H new ATOM 0 HB2 SER A 74 -28.585 -13.321 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 74 -27.707 -12.826 -2.860 1.00 0.00 H new ATOM 0 HG SER A 74 -30.084 -14.128 -2.680 1.00 0.00 H new ATOM 1123 N ARG A 75 -27.826 -15.908 -0.086 1.00 0.00 N ATOM 1124 CA ARG A 75 -28.424 -16.974 0.709 1.00 0.00 C ATOM 1125 C ARG A 75 -29.947 -16.909 0.648 1.00 0.00 C ATOM 1126 O ARG A 75 -30.629 -17.911 0.857 1.00 0.00 O ATOM 1127 CB ARG A 75 -27.957 -16.877 2.163 1.00 0.00 C ATOM 1128 CG ARG A 75 -28.342 -15.573 2.841 1.00 0.00 C ATOM 1129 CD ARG A 75 -29.706 -15.672 3.506 1.00 0.00 C ATOM 1130 NE ARG A 75 -29.644 -16.386 4.778 1.00 0.00 N ATOM 1131 CZ ARG A 75 -29.288 -15.816 5.924 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -28.964 -14.531 5.957 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -29.256 -16.533 7.041 1.00 0.00 N ATOM 0 H ARG A 75 -27.431 -15.143 0.462 1.00 0.00 H new ATOM 0 HA ARG A 75 -28.101 -17.928 0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -28.379 -17.708 2.727 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -26.873 -16.987 2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -27.590 -15.314 3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -28.352 -14.769 2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -30.102 -14.670 3.672 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -30.399 -16.182 2.837 1.00 0.00 H new ATOM 0 HE ARG A 75 -29.887 -17.377 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -28.988 -13.977 5.101 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -28.691 -14.096 6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -29.505 -17.522 7.020 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -28.983 -16.095 7.921 1.00 0.00 H new ATOM 1147 N ASN A 76 -30.473 -15.723 0.361 1.00 0.00 N ATOM 1148 CA ASN A 76 -31.916 -15.527 0.273 1.00 0.00 C ATOM 1149 C ASN A 76 -32.290 -14.816 -1.024 1.00 0.00 C ATOM 1150 O ASN A 76 -31.502 -14.046 -1.572 1.00 0.00 O ATOM 1151 CB ASN A 76 -32.415 -14.720 1.473 1.00 0.00 C ATOM 1152 CG ASN A 76 -33.929 -14.628 1.518 1.00 0.00 C ATOM 1153 OD1 ASN A 76 -34.628 -15.400 0.862 1.00 0.00 O ATOM 1154 ND2 ASN A 76 -34.441 -13.682 2.296 1.00 0.00 N ATOM 0 H ASN A 76 -29.922 -14.883 0.185 1.00 0.00 H new ATOM 0 HA ASN A 76 -32.393 -16.507 0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -32.054 -15.180 2.393 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -31.994 -13.716 1.433 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -35.453 -13.573 2.368 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -33.823 -13.064 2.822 1.00 0.00 H new ATOM 1161 N SER A 77 -33.499 -15.081 -1.509 1.00 0.00 N ATOM 1162 CA SER A 77 -33.978 -14.469 -2.743 1.00 0.00 C ATOM 1163 C SER A 77 -34.130 -12.960 -2.578 1.00 0.00 C ATOM 1164 O SER A 77 -33.716 -12.186 -3.441 1.00 0.00 O ATOM 1165 CB SER A 77 -35.316 -15.086 -3.157 1.00 0.00 C ATOM 1166 OG SER A 77 -36.309 -14.859 -2.172 1.00 0.00 O ATOM 0 H SER A 77 -34.164 -15.715 -1.067 1.00 0.00 H new ATOM 0 HA SER A 77 -33.241 -14.659 -3.524 1.00 0.00 H new ATOM 0 HB2 SER A 77 -35.638 -14.660 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 77 -35.193 -16.158 -3.314 1.00 0.00 H new ATOM 0 HG SER A 77 -37.155 -15.261 -2.461 1.00 0.00 H new ATOM 1172 N SER A 78 -34.728 -12.550 -1.464 1.00 0.00 N ATOM 1173 CA SER A 78 -34.939 -11.134 -1.186 1.00 0.00 C ATOM 1174 C SER A 78 -33.686 -10.325 -1.506 1.00 0.00 C ATOM 1175 O SER A 78 -33.725 -9.392 -2.307 1.00 0.00 O ATOM 1176 CB SER A 78 -35.330 -10.933 0.279 1.00 0.00 C ATOM 1177 OG SER A 78 -36.726 -11.100 0.462 1.00 0.00 O ATOM 0 H SER A 78 -35.075 -13.178 -0.739 1.00 0.00 H new ATOM 0 HA SER A 78 -35.750 -10.781 -1.823 1.00 0.00 H new ATOM 0 HB2 SER A 78 -34.790 -11.645 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 78 -35.034 -9.936 0.604 1.00 0.00 H new ATOM 0 HG SER A 78 -36.950 -10.968 1.407 1.00 0.00 H new ATOM 1183 N GLN A 79 -32.576 -10.691 -0.873 1.00 0.00 N ATOM 1184 CA GLN A 79 -31.310 -9.999 -1.088 1.00 0.00 C ATOM 1185 C GLN A 79 -31.025 -9.838 -2.578 1.00 0.00 C ATOM 1186 O GLN A 79 -30.652 -8.757 -3.036 1.00 0.00 O ATOM 1187 CB GLN A 79 -30.167 -10.762 -0.417 1.00 0.00 C ATOM 1188 CG GLN A 79 -30.025 -10.464 1.067 1.00 0.00 C ATOM 1189 CD GLN A 79 -29.207 -9.216 1.336 1.00 0.00 C ATOM 1190 OE1 GLN A 79 -28.479 -8.738 0.465 1.00 0.00 O ATOM 1191 NE2 GLN A 79 -29.323 -8.682 2.546 1.00 0.00 N ATOM 0 H GLN A 79 -32.527 -11.462 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 79 -31.386 -9.007 -0.642 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -30.328 -11.832 -0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -29.232 -10.515 -0.920 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -31.016 -10.346 1.506 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -29.556 -11.315 1.561 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -29.938 -9.112 3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -28.797 -7.842 2.785 1.00 0.00 H new ATOM 1200 N LEU A 80 -31.202 -10.919 -3.329 1.00 0.00 N ATOM 1201 CA LEU A 80 -30.963 -10.898 -4.768 1.00 0.00 C ATOM 1202 C LEU A 80 -31.818 -9.833 -5.446 1.00 0.00 C ATOM 1203 O LEU A 80 -31.353 -9.123 -6.339 1.00 0.00 O ATOM 1204 CB LEU A 80 -31.262 -12.270 -5.375 1.00 0.00 C ATOM 1205 CG LEU A 80 -31.258 -12.344 -6.902 1.00 0.00 C ATOM 1206 CD1 LEU A 80 -29.833 -12.354 -7.432 1.00 0.00 C ATOM 1207 CD2 LEU A 80 -32.014 -13.576 -7.378 1.00 0.00 C ATOM 0 H LEU A 80 -31.510 -11.821 -2.966 1.00 0.00 H new ATOM 0 HA LEU A 80 -29.913 -10.655 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -30.528 -12.981 -4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -32.238 -12.598 -5.018 1.00 0.00 H new ATOM 0 HG LEU A 80 -31.762 -11.459 -7.291 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -29.850 -12.407 -8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -29.323 -11.442 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -29.303 -13.220 -7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -32.001 -13.613 -8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -31.538 -14.472 -6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -33.045 -13.527 -7.029 1.00 0.00 H new ATOM 1219 N THR A 81 -33.071 -9.724 -5.016 1.00 0.00 N ATOM 1220 CA THR A 81 -33.991 -8.745 -5.581 1.00 0.00 C ATOM 1221 C THR A 81 -33.381 -7.348 -5.571 1.00 0.00 C ATOM 1222 O THR A 81 -33.372 -6.657 -6.590 1.00 0.00 O ATOM 1223 CB THR A 81 -35.324 -8.716 -4.809 1.00 0.00 C ATOM 1224 OG1 THR A 81 -35.938 -10.009 -4.843 1.00 0.00 O ATOM 1225 CG2 THR A 81 -36.271 -7.683 -5.402 1.00 0.00 C ATOM 0 H THR A 81 -33.472 -10.302 -4.278 1.00 0.00 H new ATOM 0 HA THR A 81 -34.182 -9.048 -6.610 1.00 0.00 H new ATOM 0 HB THR A 81 -35.114 -8.441 -3.775 1.00 0.00 H new ATOM 0 HG1 THR A 81 -36.784 -9.983 -4.349 1.00 0.00 H new ATOM 0 HG21 THR A 81 -37.205 -7.681 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 81 -35.813 -6.696 -5.347 1.00 0.00 H new ATOM 0 HG23 THR A 81 -36.474 -7.931 -6.444 1.00 0.00 H new ATOM 1233 N VAL A 82 -32.871 -6.938 -4.415 1.00 0.00 N ATOM 1234 CA VAL A 82 -32.256 -5.623 -4.273 1.00 0.00 C ATOM 1235 C VAL A 82 -30.953 -5.539 -5.059 1.00 0.00 C ATOM 1236 O VAL A 82 -30.630 -4.500 -5.638 1.00 0.00 O ATOM 1237 CB VAL A 82 -31.975 -5.291 -2.796 1.00 0.00 C ATOM 1238 CG1 VAL A 82 -31.279 -3.944 -2.675 1.00 0.00 C ATOM 1239 CG2 VAL A 82 -33.265 -5.309 -1.991 1.00 0.00 C ATOM 0 H VAL A 82 -32.871 -7.497 -3.562 1.00 0.00 H new ATOM 0 HA VAL A 82 -32.965 -4.897 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 82 -31.311 -6.054 -2.390 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -31.088 -3.726 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -30.334 -3.973 -3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -31.915 -3.166 -3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -33.047 -5.072 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -33.956 -4.569 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -33.718 -6.299 -2.051 1.00 0.00 H new ATOM 1249 N HIS A 83 -30.206 -6.638 -5.077 1.00 0.00 N ATOM 1250 CA HIS A 83 -28.937 -6.689 -5.793 1.00 0.00 C ATOM 1251 C HIS A 83 -29.133 -6.359 -7.270 1.00 0.00 C ATOM 1252 O HIS A 83 -28.486 -5.459 -7.807 1.00 0.00 O ATOM 1253 CB HIS A 83 -28.300 -8.072 -5.648 1.00 0.00 C ATOM 1254 CG HIS A 83 -27.449 -8.465 -6.816 1.00 0.00 C ATOM 1255 ND1 HIS A 83 -26.097 -8.202 -6.885 1.00 0.00 N ATOM 1256 CD2 HIS A 83 -27.765 -9.107 -7.965 1.00 0.00 C ATOM 1257 CE1 HIS A 83 -25.618 -8.664 -8.026 1.00 0.00 C ATOM 1258 NE2 HIS A 83 -26.610 -9.218 -8.700 1.00 0.00 N ATOM 0 H HIS A 83 -30.458 -7.506 -4.604 1.00 0.00 H new ATOM 0 HA HIS A 83 -28.272 -5.943 -5.357 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -27.692 -8.090 -4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -29.088 -8.814 -5.517 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -28.743 -9.465 -8.251 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -24.590 -8.600 -8.352 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -26.531 -9.657 -9.617 1.00 0.00 H new ATOM 1266 N LEU A 84 -30.028 -7.093 -7.921 1.00 0.00 N ATOM 1267 CA LEU A 84 -30.309 -6.879 -9.337 1.00 0.00 C ATOM 1268 C LEU A 84 -30.329 -5.390 -9.669 1.00 0.00 C ATOM 1269 O LEU A 84 -29.720 -4.954 -10.646 1.00 0.00 O ATOM 1270 CB LEU A 84 -31.648 -7.514 -9.713 1.00 0.00 C ATOM 1271 CG LEU A 84 -31.639 -9.030 -9.917 1.00 0.00 C ATOM 1272 CD1 LEU A 84 -33.059 -9.566 -10.007 1.00 0.00 C ATOM 1273 CD2 LEU A 84 -30.849 -9.394 -11.166 1.00 0.00 C ATOM 0 H LEU A 84 -30.572 -7.842 -7.492 1.00 0.00 H new ATOM 0 HA LEU A 84 -29.515 -7.351 -9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -32.371 -7.277 -8.933 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -32.004 -7.046 -10.631 1.00 0.00 H new ATOM 0 HG LEU A 84 -31.154 -9.490 -9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -33.032 -10.646 -10.152 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -33.593 -9.337 -9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -33.571 -9.100 -10.849 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -30.853 -10.476 -11.296 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -31.306 -8.922 -12.036 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -29.822 -9.045 -11.062 1.00 0.00 H new ATOM 1285 N ARG A 85 -31.030 -4.615 -8.848 1.00 0.00 N ATOM 1286 CA ARG A 85 -31.128 -3.175 -9.054 1.00 0.00 C ATOM 1287 C ARG A 85 -29.822 -2.616 -9.611 1.00 0.00 C ATOM 1288 O ARG A 85 -29.829 -1.779 -10.514 1.00 0.00 O ATOM 1289 CB ARG A 85 -31.477 -2.473 -7.740 1.00 0.00 C ATOM 1290 CG ARG A 85 -32.834 -2.867 -7.181 1.00 0.00 C ATOM 1291 CD ARG A 85 -33.176 -2.067 -5.934 1.00 0.00 C ATOM 1292 NE ARG A 85 -33.338 -0.645 -6.223 1.00 0.00 N ATOM 1293 CZ ARG A 85 -33.983 0.198 -5.425 1.00 0.00 C ATOM 1294 NH1 ARG A 85 -34.524 -0.235 -4.295 1.00 0.00 N ATOM 1295 NH2 ARG A 85 -34.088 1.479 -5.756 1.00 0.00 N ATOM 0 H ARG A 85 -31.538 -4.960 -8.034 1.00 0.00 H new ATOM 0 HA ARG A 85 -31.921 -2.990 -9.779 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -30.709 -2.701 -7.001 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -31.458 -1.395 -7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -33.601 -2.708 -7.939 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -32.836 -3.931 -6.944 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -34.096 -2.455 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -32.389 -2.199 -5.192 1.00 0.00 H new ATOM 0 HE ARG A 85 -32.934 -0.279 -7.085 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -34.446 -1.218 -4.036 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -35.019 0.415 -3.684 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -33.673 1.817 -6.624 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -34.584 2.125 -5.142 1.00 0.00 H new ATOM 1309 N SER A 86 -28.704 -3.083 -9.065 1.00 0.00 N ATOM 1310 CA SER A 86 -27.390 -2.626 -9.504 1.00 0.00 C ATOM 1311 C SER A 86 -27.315 -2.574 -11.027 1.00 0.00 C ATOM 1312 O SER A 86 -26.935 -1.555 -11.607 1.00 0.00 O ATOM 1313 CB SER A 86 -26.298 -3.548 -8.960 1.00 0.00 C ATOM 1314 OG SER A 86 -26.236 -3.485 -7.545 1.00 0.00 O ATOM 0 H SER A 86 -28.681 -3.777 -8.318 1.00 0.00 H new ATOM 0 HA SER A 86 -27.233 -1.620 -9.115 1.00 0.00 H new ATOM 0 HB2 SER A 86 -26.494 -4.573 -9.273 1.00 0.00 H new ATOM 0 HB3 SER A 86 -25.334 -3.264 -9.382 1.00 0.00 H new ATOM 0 HG SER A 86 -26.916 -4.077 -7.161 1.00 0.00 H new ATOM 1320 N HIS A 87 -27.679 -3.679 -11.670 1.00 0.00 N ATOM 1321 CA HIS A 87 -27.653 -3.760 -13.126 1.00 0.00 C ATOM 1322 C HIS A 87 -28.644 -2.777 -13.743 1.00 0.00 C ATOM 1323 O HIS A 87 -29.786 -3.131 -14.036 1.00 0.00 O ATOM 1324 CB HIS A 87 -27.976 -5.182 -13.585 1.00 0.00 C ATOM 1325 CG HIS A 87 -27.120 -6.228 -12.940 1.00 0.00 C ATOM 1326 ND1 HIS A 87 -25.741 -6.195 -12.968 1.00 0.00 N ATOM 1327 CD2 HIS A 87 -27.453 -7.341 -12.245 1.00 0.00 C ATOM 1328 CE1 HIS A 87 -25.265 -7.243 -12.320 1.00 0.00 C ATOM 1329 NE2 HIS A 87 -26.283 -7.954 -11.871 1.00 0.00 N ATOM 0 H HIS A 87 -27.995 -4.530 -11.206 1.00 0.00 H new ATOM 0 HA HIS A 87 -26.650 -3.497 -13.461 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -29.023 -5.396 -13.368 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -27.856 -5.242 -14.667 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -28.454 -7.683 -12.025 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -24.220 -7.478 -12.181 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -26.212 -8.818 -11.334 1.00 0.00 H new