USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 370 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 Single : A 11 GLN : amide:sc=-0.00461 K(o=-0.0046,f=-0.72) USER MOD Single : A 15 THR OG1 : rot -160:sc= -0.197 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.278 USER MOD Single : A 18 ASN :FLIP amide:sc= -1.46! C(o=-2.2!,f=-1.5!) USER MOD Single : A 21 GLN : amide:sc= -1.55 X(o=-1.5,f=-1.8) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl 158:sc= -0.69 (180deg=-1.5!) USER MOD Single : A 30 ASN :FLIP amide:sc= -5.21! C(o=-11!,f=-5.2!) USER MOD Single : A 31 SER OG : rot 180:sc= -1.22! USER MOD Single : A 33 HIS : no HD1:sc= -7.71! C(o=-7.7!,f=-9.3!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.345 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= -0.267 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 55 THR OG1 : rot -133:sc= -0.321! USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N PRO A 7 17.146 0.665 -0.827 1.00 0.00 N ATOM 87 CA PRO A 7 18.334 0.404 -0.005 1.00 0.00 C ATOM 88 C PRO A 7 18.803 -1.042 -0.162 1.00 0.00 C ATOM 89 O PRO A 7 18.113 -1.959 0.238 1.00 0.00 O ATOM 90 CB PRO A 7 17.867 0.616 1.448 1.00 0.00 C ATOM 91 CG PRO A 7 16.340 0.882 1.412 1.00 0.00 C ATOM 92 CD PRO A 7 15.916 0.924 -0.062 1.00 0.00 C ATOM 0 HA PRO A 7 19.162 1.052 -0.293 1.00 0.00 H new ATOM 0 HB2 PRO A 7 18.089 -0.262 2.054 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.392 1.457 1.901 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.801 0.098 1.944 1.00 0.00 H new ATOM 0 HG3 PRO A 7 16.103 1.824 1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 7 15.155 0.173 -0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 7 15.488 1.893 -0.321 1.00 0.00 H new ATOM 100 N CYS A 8 19.965 -1.225 -0.738 1.00 0.00 N ATOM 101 CA CYS A 8 20.469 -2.613 -0.916 1.00 0.00 C ATOM 102 C CYS A 8 21.372 -3.012 0.228 1.00 0.00 C ATOM 103 O CYS A 8 21.357 -2.408 1.281 1.00 0.00 O ATOM 104 CB CYS A 8 21.263 -2.702 -2.225 1.00 0.00 C ATOM 105 SG CYS A 8 23.068 -2.596 -2.141 1.00 0.00 S ATOM 0 H CYS A 8 20.574 -0.485 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 8 19.613 -3.287 -0.942 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.007 -3.646 -2.706 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.913 -1.905 -2.881 1.00 0.00 H new ATOM 110 N CYS A 9 22.143 -4.021 -0.001 1.00 0.00 N ATOM 111 CA CYS A 9 23.065 -4.486 1.073 1.00 0.00 C ATOM 112 C CYS A 9 24.210 -5.335 0.543 1.00 0.00 C ATOM 113 O CYS A 9 24.379 -5.482 -0.645 1.00 0.00 O ATOM 114 CB CYS A 9 22.251 -5.358 2.012 1.00 0.00 C ATOM 115 SG CYS A 9 21.987 -4.748 3.675 1.00 0.00 S ATOM 0 H CYS A 9 22.182 -4.546 -0.874 1.00 0.00 H new ATOM 0 HA CYS A 9 23.495 -3.608 1.555 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.276 -5.527 1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 9 22.742 -6.328 2.082 1.00 0.00 H new ATOM 120 N ASP A 10 24.997 -5.861 1.461 1.00 0.00 N ATOM 121 CA ASP A 10 26.141 -6.711 1.051 1.00 0.00 C ATOM 122 C ASP A 10 26.258 -7.891 2.004 1.00 0.00 C ATOM 123 O ASP A 10 26.244 -9.034 1.593 1.00 0.00 O ATOM 124 CB ASP A 10 27.424 -5.877 1.122 1.00 0.00 C ATOM 125 CG ASP A 10 27.641 -5.177 -0.220 1.00 0.00 C ATOM 126 OD1 ASP A 10 27.123 -4.080 -0.349 1.00 0.00 O ATOM 127 OD2 ASP A 10 28.312 -5.780 -1.043 1.00 0.00 O ATOM 0 H ASP A 10 24.888 -5.733 2.467 1.00 0.00 H new ATOM 0 HA ASP A 10 25.988 -7.077 0.036 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.350 -5.141 1.922 1.00 0.00 H new ATOM 0 HB3 ASP A 10 28.276 -6.516 1.355 1.00 0.00 H new ATOM 132 N GLN A 11 26.374 -7.575 3.267 1.00 0.00 N ATOM 133 CA GLN A 11 26.493 -8.635 4.303 1.00 0.00 C ATOM 134 C GLN A 11 25.401 -8.439 5.340 1.00 0.00 C ATOM 135 O GLN A 11 25.316 -7.397 5.959 1.00 0.00 O ATOM 136 CB GLN A 11 27.858 -8.508 4.984 1.00 0.00 C ATOM 137 CG GLN A 11 28.957 -8.647 3.931 1.00 0.00 C ATOM 138 CD GLN A 11 30.137 -9.415 4.530 1.00 0.00 C ATOM 139 OE1 GLN A 11 30.703 -9.022 5.530 1.00 0.00 O ATOM 140 NE2 GLN A 11 30.535 -10.513 3.951 1.00 0.00 N ATOM 0 H GLN A 11 26.391 -6.620 3.625 1.00 0.00 H new ATOM 0 HA GLN A 11 26.394 -9.619 3.844 1.00 0.00 H new ATOM 0 HB2 GLN A 11 27.939 -7.544 5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 11 27.970 -9.277 5.748 1.00 0.00 H new ATOM 0 HG2 GLN A 11 28.574 -9.171 3.056 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.282 -7.662 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 11 30.062 -10.847 3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 11 31.319 -11.038 4.338 1.00 0.00 H new ATOM 149 N CYS A 12 24.590 -9.443 5.515 1.00 0.00 N ATOM 150 CA CYS A 12 23.489 -9.335 6.509 1.00 0.00 C ATOM 151 C CYS A 12 23.806 -10.119 7.780 1.00 0.00 C ATOM 152 O CYS A 12 24.628 -11.014 7.775 1.00 0.00 O ATOM 153 CB CYS A 12 22.235 -9.928 5.866 1.00 0.00 C ATOM 154 SG CYS A 12 20.848 -8.806 5.603 1.00 0.00 S ATOM 0 H CYS A 12 24.642 -10.330 5.015 1.00 0.00 H new ATOM 0 HA CYS A 12 23.352 -8.289 6.784 1.00 0.00 H new ATOM 0 HB2 CYS A 12 22.516 -10.353 4.902 1.00 0.00 H new ATOM 0 HB3 CYS A 12 21.891 -10.753 6.490 1.00 0.00 H new ATOM 159 N ALA A 13 23.143 -9.764 8.846 1.00 0.00 N ATOM 160 CA ALA A 13 23.383 -10.470 10.133 1.00 0.00 C ATOM 161 C ALA A 13 22.212 -10.249 11.085 1.00 0.00 C ATOM 162 O ALA A 13 22.081 -9.186 11.666 1.00 0.00 O ATOM 163 CB ALA A 13 24.652 -9.887 10.770 1.00 0.00 C ATOM 0 H ALA A 13 22.448 -9.018 8.880 1.00 0.00 H new ATOM 0 HA ALA A 13 23.492 -11.538 9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.848 -10.390 11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.497 -10.035 10.098 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.513 -8.821 10.948 1.00 0.00 H new ATOM 169 N CYS A 14 21.376 -11.256 11.228 1.00 0.00 N ATOM 170 CA CYS A 14 20.219 -11.120 12.127 1.00 0.00 C ATOM 171 C CYS A 14 20.406 -11.879 13.429 1.00 0.00 C ATOM 172 O CYS A 14 21.140 -12.845 13.497 1.00 0.00 O ATOM 173 CB CYS A 14 19.002 -11.677 11.396 1.00 0.00 C ATOM 174 SG CYS A 14 18.344 -10.706 10.011 1.00 0.00 S ATOM 0 H CYS A 14 21.459 -12.156 10.756 1.00 0.00 H new ATOM 0 HA CYS A 14 20.097 -10.068 12.383 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.258 -12.668 11.021 1.00 0.00 H new ATOM 0 HB3 CYS A 14 18.202 -11.809 12.125 1.00 0.00 H new ATOM 179 N THR A 15 19.725 -11.404 14.445 1.00 0.00 N ATOM 180 CA THR A 15 19.816 -12.052 15.782 1.00 0.00 C ATOM 181 C THR A 15 18.446 -12.559 16.219 1.00 0.00 C ATOM 182 O THR A 15 17.452 -11.878 16.067 1.00 0.00 O ATOM 183 CB THR A 15 20.296 -11.002 16.788 1.00 0.00 C ATOM 184 OG1 THR A 15 19.191 -10.769 17.640 1.00 0.00 O ATOM 185 CG2 THR A 15 20.538 -9.655 16.092 1.00 0.00 C ATOM 0 H THR A 15 19.109 -10.592 14.400 1.00 0.00 H new ATOM 0 HA THR A 15 20.506 -12.894 15.734 1.00 0.00 H new ATOM 0 HB THR A 15 21.205 -11.348 17.281 1.00 0.00 H new ATOM 0 HG1 THR A 15 19.304 -9.908 18.094 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.878 -8.923 16.824 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.298 -9.776 15.320 1.00 0.00 H new ATOM 0 HG23 THR A 15 19.610 -9.309 15.637 1.00 0.00 H new ATOM 193 N LYS A 16 18.417 -13.747 16.756 1.00 0.00 N ATOM 194 CA LYS A 16 17.119 -14.309 17.206 1.00 0.00 C ATOM 195 C LYS A 16 16.701 -13.720 18.549 1.00 0.00 C ATOM 196 O LYS A 16 16.498 -14.438 19.509 1.00 0.00 O ATOM 197 CB LYS A 16 17.280 -15.828 17.357 1.00 0.00 C ATOM 198 CG LYS A 16 17.609 -16.430 15.990 1.00 0.00 C ATOM 199 CD LYS A 16 17.709 -17.951 16.120 1.00 0.00 C ATOM 200 CE LYS A 16 18.401 -18.514 14.879 1.00 0.00 C ATOM 201 NZ LYS A 16 17.844 -19.851 14.531 1.00 0.00 N ATOM 0 H LYS A 16 19.230 -14.346 16.901 1.00 0.00 H new ATOM 0 HA LYS A 16 16.352 -14.065 16.471 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.074 -16.054 18.069 1.00 0.00 H new ATOM 0 HB3 LYS A 16 16.363 -16.267 17.751 1.00 0.00 H new ATOM 0 HG2 LYS A 16 16.837 -16.165 15.267 1.00 0.00 H new ATOM 0 HG3 LYS A 16 18.549 -16.023 15.617 1.00 0.00 H new ATOM 0 HD2 LYS A 16 18.270 -18.216 17.016 1.00 0.00 H new ATOM 0 HD3 LYS A 16 16.715 -18.386 16.226 1.00 0.00 H new ATOM 0 HE2 LYS A 16 18.270 -17.830 14.041 1.00 0.00 H new ATOM 0 HE3 LYS A 16 19.473 -18.596 15.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 18.326 -20.218 13.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 17.991 -20.506 15.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.826 -19.763 14.339 1.00 0.00 H new ATOM 215 N SER A 17 16.573 -12.421 18.592 1.00 0.00 N ATOM 216 CA SER A 17 16.168 -11.770 19.863 1.00 0.00 C ATOM 217 C SER A 17 14.654 -11.870 20.054 1.00 0.00 C ATOM 218 O SER A 17 14.026 -12.770 19.530 1.00 0.00 O ATOM 219 CB SER A 17 16.580 -10.293 19.802 1.00 0.00 C ATOM 220 OG SER A 17 16.578 -9.877 21.159 1.00 0.00 O ATOM 0 H SER A 17 16.731 -11.790 17.807 1.00 0.00 H new ATOM 0 HA SER A 17 16.656 -12.268 20.701 1.00 0.00 H new ATOM 0 HB2 SER A 17 17.564 -10.172 19.349 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.880 -9.708 19.205 1.00 0.00 H new ATOM 0 HG SER A 17 16.835 -8.933 21.212 1.00 0.00 H new ATOM 226 N ASN A 18 14.090 -10.948 20.796 1.00 0.00 N ATOM 227 CA ASN A 18 12.617 -11.003 21.014 1.00 0.00 C ATOM 228 C ASN A 18 12.006 -9.582 21.227 1.00 0.00 C ATOM 229 O ASN A 18 12.049 -9.059 22.323 1.00 0.00 O ATOM 230 CB ASN A 18 12.362 -11.836 22.293 1.00 0.00 C ATOM 231 CG ASN A 18 13.528 -12.796 22.523 1.00 0.00 C ATOM 232 OD1 ASN A 18 14.641 -12.329 23.019 1.00 0.00 O flip ATOM 233 ND2 ASN A 18 13.436 -13.977 22.256 1.00 0.00 N flip ATOM 0 H ASN A 18 14.577 -10.176 21.251 1.00 0.00 H new ATOM 0 HA ASN A 18 12.150 -11.444 20.133 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.247 -11.175 23.152 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.432 -12.395 22.195 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.568 -14.346 21.868 1.00 0.00 H new ATOM 0 HD22 ASN A 18 14.227 -14.600 22.420 1.00 0.00 H new ATOM 240 N PRO A 19 11.453 -8.953 20.173 1.00 0.00 N ATOM 241 CA PRO A 19 11.396 -9.489 18.794 1.00 0.00 C ATOM 242 C PRO A 19 12.802 -9.565 18.187 1.00 0.00 C ATOM 243 O PRO A 19 13.726 -8.984 18.712 1.00 0.00 O ATOM 244 CB PRO A 19 10.574 -8.448 18.005 1.00 0.00 C ATOM 245 CG PRO A 19 10.255 -7.272 18.967 1.00 0.00 C ATOM 246 CD PRO A 19 10.825 -7.635 20.343 1.00 0.00 C ATOM 0 HA PRO A 19 10.967 -10.491 18.769 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.135 -8.093 17.140 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.654 -8.894 17.627 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.698 -6.346 18.601 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.179 -7.108 19.029 1.00 0.00 H new ATOM 0 HD2 PRO A 19 11.552 -6.894 20.674 1.00 0.00 H new ATOM 0 HD3 PRO A 19 10.039 -7.669 21.097 1.00 0.00 H new ATOM 254 N PRO A 20 12.939 -10.272 17.081 1.00 0.00 N ATOM 255 CA PRO A 20 14.240 -10.405 16.420 1.00 0.00 C ATOM 256 C PRO A 20 14.774 -9.049 15.957 1.00 0.00 C ATOM 257 O PRO A 20 14.078 -8.053 16.004 1.00 0.00 O ATOM 258 CB PRO A 20 13.969 -11.289 15.186 1.00 0.00 C ATOM 259 CG PRO A 20 12.439 -11.571 15.140 1.00 0.00 C ATOM 260 CD PRO A 20 11.826 -10.981 16.421 1.00 0.00 C ATOM 0 HA PRO A 20 14.983 -10.825 17.098 1.00 0.00 H new ATOM 0 HB2 PRO A 20 14.294 -10.786 14.275 1.00 0.00 H new ATOM 0 HB3 PRO A 20 14.529 -12.222 15.252 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.991 -11.118 14.256 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.247 -12.642 15.081 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.006 -10.301 16.190 1.00 0.00 H new ATOM 0 HD3 PRO A 20 11.420 -11.764 17.062 1.00 0.00 H new ATOM 268 N GLN A 21 16.004 -9.046 15.525 1.00 0.00 N ATOM 269 CA GLN A 21 16.626 -7.791 15.051 1.00 0.00 C ATOM 270 C GLN A 21 17.407 -8.090 13.787 1.00 0.00 C ATOM 271 O GLN A 21 17.757 -9.230 13.549 1.00 0.00 O ATOM 272 CB GLN A 21 17.597 -7.308 16.131 1.00 0.00 C ATOM 273 CG GLN A 21 17.036 -6.049 16.803 1.00 0.00 C ATOM 274 CD GLN A 21 15.776 -6.419 17.588 1.00 0.00 C ATOM 275 OE1 GLN A 21 15.737 -7.411 18.288 1.00 0.00 O ATOM 276 NE2 GLN A 21 14.726 -5.649 17.501 1.00 0.00 N ATOM 0 H GLN A 21 16.605 -9.869 15.482 1.00 0.00 H new ATOM 0 HA GLN A 21 15.869 -7.033 14.851 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.749 -8.091 16.874 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.570 -7.094 15.689 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.781 -5.615 17.470 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.803 -5.294 16.052 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.753 -4.815 16.915 1.00 0.00 H new ATOM 0 HE22 GLN A 21 13.879 -5.881 18.019 1.00 0.00 H new ATOM 285 N CYS A 22 17.680 -7.094 12.984 1.00 0.00 N ATOM 286 CA CYS A 22 18.445 -7.406 11.752 1.00 0.00 C ATOM 287 C CYS A 22 19.241 -6.234 11.207 1.00 0.00 C ATOM 288 O CYS A 22 18.694 -5.270 10.717 1.00 0.00 O ATOM 289 CB CYS A 22 17.462 -7.886 10.683 1.00 0.00 C ATOM 290 SG CYS A 22 16.864 -9.590 10.822 1.00 0.00 S ATOM 0 H CYS A 22 17.417 -6.118 13.122 1.00 0.00 H new ATOM 0 HA CYS A 22 19.173 -8.174 12.013 1.00 0.00 H new ATOM 0 HB2 CYS A 22 16.598 -7.222 10.695 1.00 0.00 H new ATOM 0 HB3 CYS A 22 17.938 -7.772 9.709 1.00 0.00 H new ATOM 295 N ARG A 23 20.541 -6.367 11.299 1.00 0.00 N ATOM 296 CA ARG A 23 21.444 -5.312 10.809 1.00 0.00 C ATOM 297 C ARG A 23 22.188 -5.818 9.580 1.00 0.00 C ATOM 298 O ARG A 23 22.428 -7.004 9.451 1.00 0.00 O ATOM 299 CB ARG A 23 22.438 -4.992 11.940 1.00 0.00 C ATOM 300 CG ARG A 23 23.747 -5.776 11.757 1.00 0.00 C ATOM 301 CD ARG A 23 24.545 -5.696 13.059 1.00 0.00 C ATOM 302 NE ARG A 23 23.939 -6.625 14.054 1.00 0.00 N ATOM 303 CZ ARG A 23 24.453 -7.812 14.219 1.00 0.00 C ATOM 304 NH1 ARG A 23 25.697 -7.911 14.598 1.00 0.00 N ATOM 305 NH2 ARG A 23 23.706 -8.859 14.001 1.00 0.00 N ATOM 0 H ARG A 23 21.010 -7.179 11.701 1.00 0.00 H new ATOM 0 HA ARG A 23 20.889 -4.416 10.531 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.649 -3.923 11.953 1.00 0.00 H new ATOM 0 HB3 ARG A 23 21.992 -5.241 12.903 1.00 0.00 H new ATOM 0 HG2 ARG A 23 23.534 -6.815 11.506 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.325 -5.361 10.932 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.587 -5.963 12.880 1.00 0.00 H new ATOM 0 HD3 ARG A 23 24.539 -4.676 13.443 1.00 0.00 H new ATOM 0 HE ARG A 23 23.129 -6.335 14.602 1.00 0.00 H new ATOM 0 HH11 ARG A 23 26.249 -7.069 14.760 1.00 0.00 H new ATOM 0 HH12 ARG A 23 26.117 -8.830 14.733 1.00 0.00 H new ATOM 0 HH21 ARG A 23 22.737 -8.741 13.706 1.00 0.00 H new ATOM 0 HH22 ARG A 23 24.091 -9.795 14.125 1.00 0.00 H new ATOM 319 N CYS A 24 22.546 -4.932 8.700 1.00 0.00 N ATOM 320 CA CYS A 24 23.267 -5.388 7.493 1.00 0.00 C ATOM 321 C CYS A 24 24.161 -4.298 6.926 1.00 0.00 C ATOM 322 O CYS A 24 24.189 -3.197 7.440 1.00 0.00 O ATOM 323 CB CYS A 24 22.218 -5.760 6.464 1.00 0.00 C ATOM 324 SG CYS A 24 22.791 -6.187 4.821 1.00 0.00 S ATOM 0 H CYS A 24 22.373 -3.929 8.764 1.00 0.00 H new ATOM 0 HA CYS A 24 23.907 -6.233 7.748 1.00 0.00 H new ATOM 0 HB2 CYS A 24 21.649 -6.605 6.853 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.524 -4.924 6.372 1.00 0.00 H new ATOM 329 N SER A 25 24.870 -4.621 5.855 1.00 0.00 N ATOM 330 CA SER A 25 25.773 -3.597 5.250 1.00 0.00 C ATOM 331 C SER A 25 26.509 -2.903 6.374 1.00 0.00 C ATOM 332 O SER A 25 26.662 -1.699 6.397 1.00 0.00 O ATOM 333 CB SER A 25 24.915 -2.576 4.497 1.00 0.00 C ATOM 334 OG SER A 25 25.769 -2.092 3.471 1.00 0.00 O ATOM 0 H SER A 25 24.857 -5.529 5.391 1.00 0.00 H new ATOM 0 HA SER A 25 26.483 -4.057 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.018 -3.037 4.084 1.00 0.00 H new ATOM 0 HB3 SER A 25 24.586 -1.771 5.154 1.00 0.00 H new ATOM 0 HG SER A 25 25.291 -1.426 2.934 1.00 0.00 H new ATOM 340 N ASP A 26 26.948 -3.709 7.284 1.00 0.00 N ATOM 341 CA ASP A 26 27.691 -3.188 8.471 1.00 0.00 C ATOM 342 C ASP A 26 29.218 -3.157 8.319 1.00 0.00 C ATOM 343 O ASP A 26 29.889 -2.644 9.202 1.00 0.00 O ATOM 344 CB ASP A 26 27.366 -4.137 9.638 1.00 0.00 C ATOM 345 CG ASP A 26 27.343 -3.364 10.954 1.00 0.00 C ATOM 346 OD1 ASP A 26 28.273 -2.604 11.151 1.00 0.00 O ATOM 347 OD2 ASP A 26 26.399 -3.589 11.694 1.00 0.00 O ATOM 0 H ASP A 26 26.827 -4.722 7.265 1.00 0.00 H new ATOM 0 HA ASP A 26 27.378 -2.154 8.619 1.00 0.00 H new ATOM 0 HB2 ASP A 26 26.400 -4.614 9.471 1.00 0.00 H new ATOM 0 HB3 ASP A 26 28.110 -4.932 9.688 1.00 0.00 H new ATOM 352 N MET A 27 29.743 -3.630 7.199 1.00 0.00 N ATOM 353 CA MET A 27 31.234 -3.622 7.027 1.00 0.00 C ATOM 354 C MET A 27 31.801 -2.286 6.679 1.00 0.00 C ATOM 355 O MET A 27 31.174 -1.445 6.067 1.00 0.00 O ATOM 356 CB MET A 27 31.632 -4.611 5.931 1.00 0.00 C ATOM 357 CG MET A 27 30.490 -5.599 5.658 1.00 0.00 C ATOM 358 SD MET A 27 29.155 -5.040 4.573 1.00 0.00 S ATOM 359 CE MET A 27 30.189 -4.664 3.133 1.00 0.00 C ATOM 0 H MET A 27 29.212 -4.012 6.416 1.00 0.00 H new ATOM 0 HA MET A 27 31.644 -3.904 7.997 1.00 0.00 H new ATOM 0 HB2 MET A 27 31.879 -4.070 5.017 1.00 0.00 H new ATOM 0 HB3 MET A 27 32.527 -5.155 6.232 1.00 0.00 H new ATOM 0 HG2 MET A 27 30.921 -6.502 5.226 1.00 0.00 H new ATOM 0 HG3 MET A 27 30.052 -5.881 6.615 1.00 0.00 H new ATOM 0 HE1 MET A 27 29.576 -4.676 2.232 1.00 0.00 H new ATOM 0 HE2 MET A 27 30.637 -3.678 3.254 1.00 0.00 H new ATOM 0 HE3 MET A 27 30.977 -5.412 3.046 1.00 0.00 H new ATOM 369 N ARG A 28 33.017 -2.147 7.104 1.00 0.00 N ATOM 370 CA ARG A 28 33.764 -0.925 6.883 1.00 0.00 C ATOM 371 C ARG A 28 34.427 -0.762 5.536 1.00 0.00 C ATOM 372 O ARG A 28 33.772 -0.550 4.593 1.00 0.00 O ATOM 373 CB ARG A 28 34.851 -0.860 7.992 1.00 0.00 C ATOM 374 CG ARG A 28 35.557 -2.222 8.052 1.00 0.00 C ATOM 375 CD ARG A 28 36.927 -2.059 8.708 1.00 0.00 C ATOM 376 NE ARG A 28 37.400 -3.396 9.169 1.00 0.00 N ATOM 377 CZ ARG A 28 37.907 -3.519 10.364 1.00 0.00 C ATOM 378 NH1 ARG A 28 38.548 -2.507 10.883 1.00 0.00 N ATOM 379 NH2 ARG A 28 37.761 -4.649 11.002 1.00 0.00 N ATOM 0 H ARG A 28 33.529 -2.868 7.613 1.00 0.00 H new ATOM 0 HA ARG A 28 33.036 -0.114 6.913 1.00 0.00 H new ATOM 0 HB2 ARG A 28 35.569 -0.069 7.775 1.00 0.00 H new ATOM 0 HB3 ARG A 28 34.398 -0.624 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 28 34.953 -2.931 8.618 1.00 0.00 H new ATOM 0 HG3 ARG A 28 35.670 -2.630 7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 28 37.636 -1.631 8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 28 36.863 -1.370 9.550 1.00 0.00 H new ATOM 0 HE ARG A 28 37.328 -4.207 8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 28 38.645 -1.640 10.355 1.00 0.00 H new ATOM 0 HH12 ARG A 28 38.952 -2.584 11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 28 37.256 -5.420 10.565 1.00 0.00 H new ATOM 0 HH22 ARG A 28 38.152 -4.761 11.937 1.00 0.00 H new ATOM 393 N LEU A 29 35.740 -0.774 5.548 1.00 0.00 N ATOM 394 CA LEU A 29 36.568 -0.619 4.308 1.00 0.00 C ATOM 395 C LEU A 29 35.920 0.254 3.207 1.00 0.00 C ATOM 396 O LEU A 29 36.258 0.154 2.046 1.00 0.00 O ATOM 397 CB LEU A 29 36.891 -2.008 3.736 1.00 0.00 C ATOM 398 CG LEU A 29 38.421 -2.209 3.705 1.00 0.00 C ATOM 399 CD1 LEU A 29 38.744 -3.480 2.926 1.00 0.00 C ATOM 400 CD2 LEU A 29 39.094 -1.025 3.003 1.00 0.00 C ATOM 0 H LEU A 29 36.291 -0.889 6.399 1.00 0.00 H new ATOM 0 HA LEU A 29 37.472 -0.092 4.613 1.00 0.00 H new ATOM 0 HB2 LEU A 29 36.424 -2.782 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 29 36.481 -2.103 2.731 1.00 0.00 H new ATOM 0 HG LEU A 29 38.788 -2.284 4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 29 39.824 -3.627 2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 29 38.273 -4.334 3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 29 38.367 -3.388 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 29 40.173 -1.177 2.987 1.00 0.00 H new ATOM 0 HD22 LEU A 29 38.723 -0.949 1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 29 38.865 -0.105 3.541 1.00 0.00 H new ATOM 412 N ASN A 30 34.992 1.047 3.577 1.00 0.00 N ATOM 413 CA ASN A 30 34.333 1.913 2.572 1.00 0.00 C ATOM 414 C ASN A 30 33.478 2.992 3.248 1.00 0.00 C ATOM 415 O ASN A 30 33.955 3.736 4.081 1.00 0.00 O ATOM 416 CB ASN A 30 33.474 1.042 1.623 1.00 0.00 C ATOM 417 CG ASN A 30 32.566 0.100 2.421 1.00 0.00 C ATOM 418 OD1 ASN A 30 31.499 0.573 3.005 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 32.816 -1.086 2.507 1.00 0.00 N flip ATOM 0 H ASN A 30 34.649 1.144 4.533 1.00 0.00 H new ATOM 0 HA ASN A 30 35.100 2.423 1.990 1.00 0.00 H new ATOM 0 HB2 ASN A 30 32.868 1.683 0.983 1.00 0.00 H new ATOM 0 HB3 ASN A 30 34.123 0.461 0.968 1.00 0.00 H new ATOM 0 HD21 ASN A 30 33.647 -1.466 2.054 1.00 0.00 H new ATOM 0 HD22 ASN A 30 32.195 -1.701 3.032 1.00 0.00 H new ATOM 426 N SER A 31 32.228 3.047 2.875 1.00 0.00 N ATOM 427 CA SER A 31 31.316 4.053 3.468 1.00 0.00 C ATOM 428 C SER A 31 29.875 3.591 3.311 1.00 0.00 C ATOM 429 O SER A 31 29.554 2.872 2.385 1.00 0.00 O ATOM 430 CB SER A 31 31.497 5.378 2.717 1.00 0.00 C ATOM 431 OG SER A 31 32.867 5.384 2.346 1.00 0.00 O ATOM 0 H SER A 31 31.802 2.433 2.181 1.00 0.00 H new ATOM 0 HA SER A 31 31.544 4.180 4.526 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.848 5.432 1.843 1.00 0.00 H new ATOM 0 HB3 SER A 31 31.252 6.231 3.350 1.00 0.00 H new ATOM 0 HG SER A 31 33.069 6.207 1.854 1.00 0.00 H new ATOM 437 N CYS A 32 29.026 4.004 4.209 1.00 0.00 N ATOM 438 CA CYS A 32 27.608 3.580 4.100 1.00 0.00 C ATOM 439 C CYS A 32 26.801 4.553 3.245 1.00 0.00 C ATOM 440 O CYS A 32 27.360 5.382 2.553 1.00 0.00 O ATOM 441 CB CYS A 32 26.999 3.523 5.500 1.00 0.00 C ATOM 442 SG CYS A 32 28.113 3.287 6.902 1.00 0.00 S ATOM 0 H CYS A 32 29.249 4.607 5.001 1.00 0.00 H new ATOM 0 HA CYS A 32 27.577 2.600 3.625 1.00 0.00 H new ATOM 0 HB2 CYS A 32 26.450 4.450 5.663 1.00 0.00 H new ATOM 0 HB3 CYS A 32 26.269 2.713 5.514 1.00 0.00 H new ATOM 447 N HIS A 33 25.494 4.441 3.307 1.00 0.00 N ATOM 448 CA HIS A 33 24.656 5.358 2.494 1.00 0.00 C ATOM 449 C HIS A 33 23.201 5.421 2.996 1.00 0.00 C ATOM 450 O HIS A 33 22.944 5.745 4.139 1.00 0.00 O ATOM 451 CB HIS A 33 24.652 4.812 1.066 1.00 0.00 C ATOM 452 CG HIS A 33 24.078 3.400 1.098 1.00 0.00 C ATOM 453 ND1 HIS A 33 23.959 2.710 2.134 1.00 0.00 N ATOM 454 CD2 HIS A 33 23.574 2.618 0.077 1.00 0.00 C ATOM 455 CE1 HIS A 33 23.438 1.585 1.883 1.00 0.00 C ATOM 456 NE2 HIS A 33 23.156 1.433 0.591 1.00 0.00 N ATOM 0 H HIS A 33 24.986 3.765 3.877 1.00 0.00 H new ATOM 0 HA HIS A 33 25.069 6.365 2.559 1.00 0.00 H new ATOM 0 HB2 HIS A 33 24.054 5.451 0.416 1.00 0.00 H new ATOM 0 HB3 HIS A 33 25.663 4.802 0.660 1.00 0.00 H new ATOM 0 HD2 HIS A 33 23.521 2.903 -0.963 1.00 0.00 H new ATOM 0 HE1 HIS A 33 23.244 0.832 2.633 1.00 0.00 H new ATOM 0 HE2 HIS A 33 22.736 0.636 0.113 1.00 0.00 H new ATOM 464 N SER A 34 22.279 5.100 2.113 1.00 0.00 N ATOM 465 CA SER A 34 20.832 5.129 2.483 1.00 0.00 C ATOM 466 C SER A 34 20.449 4.038 3.476 1.00 0.00 C ATOM 467 O SER A 34 19.785 4.299 4.459 1.00 0.00 O ATOM 468 CB SER A 34 20.013 4.931 1.200 1.00 0.00 C ATOM 469 OG SER A 34 19.278 3.739 1.434 1.00 0.00 O ATOM 0 H SER A 34 22.472 4.819 1.152 1.00 0.00 H new ATOM 0 HA SER A 34 20.628 6.087 2.962 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.351 5.777 1.016 1.00 0.00 H new ATOM 0 HB3 SER A 34 20.658 4.836 0.327 1.00 0.00 H new ATOM 0 HG SER A 34 18.720 3.540 0.653 1.00 0.00 H new ATOM 475 N ALA A 35 20.869 2.846 3.208 1.00 0.00 N ATOM 476 CA ALA A 35 20.527 1.731 4.140 1.00 0.00 C ATOM 477 C ALA A 35 21.433 1.770 5.362 1.00 0.00 C ATOM 478 O ALA A 35 21.893 0.757 5.851 1.00 0.00 O ATOM 479 CB ALA A 35 20.706 0.385 3.403 1.00 0.00 C ATOM 0 H ALA A 35 21.429 2.587 2.396 1.00 0.00 H new ATOM 0 HA ALA A 35 19.493 1.840 4.468 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.458 -0.435 4.077 1.00 0.00 H new ATOM 0 HB2 ALA A 35 20.046 0.354 2.536 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.741 0.285 3.075 1.00 0.00 H new ATOM 485 N CYS A 36 21.656 2.951 5.845 1.00 0.00 N ATOM 486 CA CYS A 36 22.520 3.099 7.026 1.00 0.00 C ATOM 487 C CYS A 36 22.444 4.520 7.547 1.00 0.00 C ATOM 488 O CYS A 36 23.190 5.385 7.129 1.00 0.00 O ATOM 489 CB CYS A 36 23.951 2.797 6.600 1.00 0.00 C ATOM 490 SG CYS A 36 24.585 1.130 6.923 1.00 0.00 S ATOM 0 H CYS A 36 21.275 3.819 5.469 1.00 0.00 H new ATOM 0 HA CYS A 36 22.198 2.418 7.814 1.00 0.00 H new ATOM 0 HB2 CYS A 36 24.030 2.986 5.529 1.00 0.00 H new ATOM 0 HB3 CYS A 36 24.608 3.509 7.099 1.00 0.00 H new ATOM 495 N LYS A 37 21.542 4.732 8.450 1.00 0.00 N ATOM 496 CA LYS A 37 21.383 6.088 9.024 1.00 0.00 C ATOM 497 C LYS A 37 22.390 6.312 10.125 1.00 0.00 C ATOM 498 O LYS A 37 23.203 7.214 10.063 1.00 0.00 O ATOM 499 CB LYS A 37 19.963 6.205 9.600 1.00 0.00 C ATOM 500 CG LYS A 37 18.954 6.121 8.443 1.00 0.00 C ATOM 501 CD LYS A 37 17.644 5.487 8.933 1.00 0.00 C ATOM 502 CE LYS A 37 16.964 6.433 9.925 1.00 0.00 C ATOM 503 NZ LYS A 37 15.743 5.799 10.495 1.00 0.00 N ATOM 0 H LYS A 37 20.906 4.025 8.818 1.00 0.00 H new ATOM 0 HA LYS A 37 21.545 6.836 8.248 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.780 5.407 10.320 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.848 7.148 10.134 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.759 7.117 8.046 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.371 5.530 7.628 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.983 5.291 8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.847 4.527 9.409 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.657 6.688 10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.698 7.364 9.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.293 6.454 11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.077 5.577 9.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.006 4.923 10.989 1.00 0.00 H new ATOM 517 N SER A 38 22.316 5.492 11.111 1.00 0.00 N ATOM 518 CA SER A 38 23.257 5.622 12.239 1.00 0.00 C ATOM 519 C SER A 38 24.539 4.866 11.925 1.00 0.00 C ATOM 520 O SER A 38 24.764 3.795 12.432 1.00 0.00 O ATOM 521 CB SER A 38 22.605 5.009 13.485 1.00 0.00 C ATOM 522 OG SER A 38 21.495 5.855 13.750 1.00 0.00 O ATOM 0 H SER A 38 21.642 4.731 11.190 1.00 0.00 H new ATOM 0 HA SER A 38 23.492 6.673 12.409 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.288 3.982 13.304 1.00 0.00 H new ATOM 0 HB3 SER A 38 23.298 4.986 14.326 1.00 0.00 H new ATOM 0 HG SER A 38 21.016 5.529 14.540 1.00 0.00 H new ATOM 528 N CYS A 39 25.342 5.437 11.069 1.00 0.00 N ATOM 529 CA CYS A 39 26.624 4.776 10.694 1.00 0.00 C ATOM 530 C CYS A 39 27.841 5.576 11.121 1.00 0.00 C ATOM 531 O CYS A 39 27.854 6.790 11.065 1.00 0.00 O ATOM 532 CB CYS A 39 26.675 4.653 9.170 1.00 0.00 C ATOM 533 SG CYS A 39 26.860 3.000 8.464 1.00 0.00 S ATOM 0 H CYS A 39 25.166 6.332 10.613 1.00 0.00 H new ATOM 0 HA CYS A 39 26.651 3.809 11.197 1.00 0.00 H new ATOM 0 HB2 CYS A 39 25.760 5.088 8.768 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.503 5.265 8.812 1.00 0.00 H new ATOM 538 N ILE A 40 28.839 4.861 11.541 1.00 0.00 N ATOM 539 CA ILE A 40 30.094 5.512 11.983 1.00 0.00 C ATOM 540 C ILE A 40 31.121 5.347 10.882 1.00 0.00 C ATOM 541 O ILE A 40 31.017 4.431 10.090 1.00 0.00 O ATOM 542 CB ILE A 40 30.620 4.800 13.235 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.474 4.203 14.040 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.349 5.831 14.111 1.00 0.00 C ATOM 545 CD1 ILE A 40 30.054 3.536 15.283 1.00 0.00 C ATOM 0 H ILE A 40 28.839 3.843 11.597 1.00 0.00 H new ATOM 0 HA ILE A 40 29.913 6.565 12.200 1.00 0.00 H new ATOM 0 HB ILE A 40 31.291 3.997 12.930 1.00 0.00 H new ATOM 0 HG12 ILE A 40 28.764 4.980 14.323 1.00 0.00 H new ATOM 0 HG13 ILE A 40 28.927 3.476 13.440 1.00 0.00 H new ATOM 0 HG21 ILE A 40 31.730 5.342 15.007 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.179 6.262 13.551 1.00 0.00 H new ATOM 0 HG23 ILE A 40 30.655 6.622 14.396 1.00 0.00 H new ATOM 0 HD11 ILE A 40 29.247 3.102 15.873 1.00 0.00 H new ATOM 0 HD12 ILE A 40 30.748 2.750 14.984 1.00 0.00 H new ATOM 0 HD13 ILE A 40 30.582 4.278 15.881 1.00 0.00 H new ATOM 557 N CYS A 41 32.097 6.208 10.822 1.00 0.00 N ATOM 558 CA CYS A 41 33.088 6.029 9.739 1.00 0.00 C ATOM 559 C CYS A 41 34.425 6.676 10.021 1.00 0.00 C ATOM 560 O CYS A 41 34.517 7.722 10.633 1.00 0.00 O ATOM 561 CB CYS A 41 32.528 6.635 8.455 1.00 0.00 C ATOM 562 SG CYS A 41 32.471 5.580 6.985 1.00 0.00 S ATOM 0 H CYS A 41 32.246 6.997 11.451 1.00 0.00 H new ATOM 0 HA CYS A 41 33.261 4.956 9.651 1.00 0.00 H new ATOM 0 HB2 CYS A 41 31.515 6.980 8.660 1.00 0.00 H new ATOM 0 HB3 CYS A 41 33.122 7.517 8.213 1.00 0.00 H new ATOM 567 N ALA A 42 35.441 6.013 9.551 1.00 0.00 N ATOM 568 CA ALA A 42 36.816 6.511 9.736 1.00 0.00 C ATOM 569 C ALA A 42 37.296 7.151 8.442 1.00 0.00 C ATOM 570 O ALA A 42 37.389 6.489 7.417 1.00 0.00 O ATOM 571 CB ALA A 42 37.729 5.323 10.072 1.00 0.00 C ATOM 0 H ALA A 42 35.369 5.134 9.039 1.00 0.00 H new ATOM 0 HA ALA A 42 36.840 7.245 10.541 1.00 0.00 H new ATOM 0 HB1 ALA A 42 38.750 5.677 10.212 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.382 4.845 10.988 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.704 4.602 9.255 1.00 0.00 H new ATOM 577 N LEU A 43 37.584 8.422 8.502 1.00 0.00 N ATOM 578 CA LEU A 43 38.057 9.119 7.282 1.00 0.00 C ATOM 579 C LEU A 43 39.419 8.593 6.849 1.00 0.00 C ATOM 580 O LEU A 43 40.441 9.012 7.353 1.00 0.00 O ATOM 581 CB LEU A 43 38.184 10.622 7.597 1.00 0.00 C ATOM 582 CG LEU A 43 36.835 11.333 7.359 1.00 0.00 C ATOM 583 CD1 LEU A 43 36.474 11.288 5.864 1.00 0.00 C ATOM 584 CD2 LEU A 43 35.730 10.644 8.178 1.00 0.00 C ATOM 0 H LEU A 43 37.512 9.001 9.338 1.00 0.00 H new ATOM 0 HA LEU A 43 37.344 8.946 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 43 38.498 10.759 8.632 1.00 0.00 H new ATOM 0 HB3 LEU A 43 38.955 11.069 6.969 1.00 0.00 H new ATOM 0 HG LEU A 43 36.922 12.373 7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 43 35.521 11.792 5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 43 37.251 11.790 5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 43 36.395 10.250 5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 43 34.780 11.150 8.006 1.00 0.00 H new ATOM 0 HD22 LEU A 43 35.646 9.601 7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 43 35.980 10.691 9.238 1.00 0.00 H new ATOM 596 N SER A 44 39.401 7.679 5.921 1.00 0.00 N ATOM 597 CA SER A 44 40.677 7.106 5.433 1.00 0.00 C ATOM 598 C SER A 44 40.593 6.823 3.935 1.00 0.00 C ATOM 599 O SER A 44 39.596 7.112 3.303 1.00 0.00 O ATOM 600 CB SER A 44 40.951 5.793 6.186 1.00 0.00 C ATOM 601 OG SER A 44 40.595 6.085 7.530 1.00 0.00 O ATOM 0 H SER A 44 38.559 7.307 5.482 1.00 0.00 H new ATOM 0 HA SER A 44 41.483 7.818 5.610 1.00 0.00 H new ATOM 0 HB2 SER A 44 40.357 4.972 5.785 1.00 0.00 H new ATOM 0 HB3 SER A 44 41.997 5.498 6.106 1.00 0.00 H new ATOM 0 HG SER A 44 40.739 5.291 8.086 1.00 0.00 H new ATOM 607 N TYR A 45 41.637 6.256 3.400 1.00 0.00 N ATOM 608 CA TYR A 45 41.642 5.947 1.951 1.00 0.00 C ATOM 609 C TYR A 45 42.407 4.632 1.671 1.00 0.00 C ATOM 610 O TYR A 45 43.622 4.632 1.681 1.00 0.00 O ATOM 611 CB TYR A 45 42.395 7.083 1.234 1.00 0.00 C ATOM 612 CG TYR A 45 41.662 8.410 1.453 1.00 0.00 C ATOM 613 CD1 TYR A 45 40.435 8.639 0.868 1.00 0.00 C ATOM 614 CD2 TYR A 45 42.227 9.402 2.231 1.00 0.00 C ATOM 615 CE1 TYR A 45 39.781 9.840 1.056 1.00 0.00 C ATOM 616 CE2 TYR A 45 41.573 10.604 2.420 1.00 0.00 C ATOM 617 CZ TYR A 45 40.345 10.831 1.834 1.00 0.00 C ATOM 618 OH TYR A 45 39.694 12.033 2.019 1.00 0.00 O ATOM 0 H TYR A 45 42.484 5.995 3.905 1.00 0.00 H new ATOM 0 HA TYR A 45 40.614 5.846 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 45 43.414 7.153 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 45 42.467 6.868 0.168 1.00 0.00 H new ATOM 0 HD1 TYR A 45 39.982 7.872 0.257 1.00 0.00 H new ATOM 0 HD2 TYR A 45 43.188 9.236 2.695 1.00 0.00 H new ATOM 0 HE1 TYR A 45 38.821 10.006 0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 45 42.026 11.371 3.031 1.00 0.00 H new ATOM 0 HH TYR A 45 40.235 12.613 2.595 1.00 0.00 H new ATOM 628 N PRO A 46 41.705 3.517 1.420 1.00 0.00 N ATOM 629 CA PRO A 46 40.225 3.424 1.388 1.00 0.00 C ATOM 630 C PRO A 46 39.584 3.716 2.750 1.00 0.00 C ATOM 631 O PRO A 46 40.144 3.413 3.785 1.00 0.00 O ATOM 632 CB PRO A 46 39.937 1.955 1.020 1.00 0.00 C ATOM 633 CG PRO A 46 41.300 1.243 0.808 1.00 0.00 C ATOM 634 CD PRO A 46 42.402 2.259 1.125 1.00 0.00 C ATOM 0 HA PRO A 46 39.816 4.153 0.689 1.00 0.00 H new ATOM 0 HB2 PRO A 46 39.370 1.467 1.813 1.00 0.00 H new ATOM 0 HB3 PRO A 46 39.332 1.899 0.115 1.00 0.00 H new ATOM 0 HG2 PRO A 46 41.383 0.372 1.458 1.00 0.00 H new ATOM 0 HG3 PRO A 46 41.391 0.886 -0.218 1.00 0.00 H new ATOM 0 HD2 PRO A 46 43.002 1.934 1.975 1.00 0.00 H new ATOM 0 HD3 PRO A 46 43.082 2.376 0.281 1.00 0.00 H new ATOM 642 N ALA A 47 38.417 4.303 2.712 1.00 0.00 N ATOM 643 CA ALA A 47 37.700 4.629 3.977 1.00 0.00 C ATOM 644 C ALA A 47 37.252 3.361 4.700 1.00 0.00 C ATOM 645 O ALA A 47 37.295 2.278 4.152 1.00 0.00 O ATOM 646 CB ALA A 47 36.453 5.449 3.620 1.00 0.00 C ATOM 0 H ALA A 47 37.929 4.571 1.857 1.00 0.00 H new ATOM 0 HA ALA A 47 38.373 5.183 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 47 35.910 5.701 4.531 1.00 0.00 H new ATOM 0 HB2 ALA A 47 36.753 6.365 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 47 35.809 4.864 2.963 1.00 0.00 H new ATOM 652 N GLN A 48 36.833 3.531 5.927 1.00 0.00 N ATOM 653 CA GLN A 48 36.367 2.359 6.737 1.00 0.00 C ATOM 654 C GLN A 48 35.029 2.700 7.426 1.00 0.00 C ATOM 655 O GLN A 48 34.866 3.810 7.893 1.00 0.00 O ATOM 656 CB GLN A 48 37.438 2.109 7.816 1.00 0.00 C ATOM 657 CG GLN A 48 38.795 2.601 7.300 1.00 0.00 C ATOM 658 CD GLN A 48 39.903 2.105 8.234 1.00 0.00 C ATOM 659 OE1 GLN A 48 39.709 1.966 9.425 1.00 0.00 O ATOM 660 NE2 GLN A 48 41.077 1.829 7.734 1.00 0.00 N ATOM 0 H GLN A 48 36.792 4.431 6.406 1.00 0.00 H new ATOM 0 HA GLN A 48 36.222 1.483 6.105 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.174 2.631 8.736 1.00 0.00 H new ATOM 0 HB3 GLN A 48 37.490 1.047 8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 48 38.966 2.235 6.288 1.00 0.00 H new ATOM 0 HG3 GLN A 48 38.805 3.690 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 48 41.245 1.944 6.735 1.00 0.00 H new ATOM 0 HE22 GLN A 48 41.826 1.498 8.343 1.00 0.00 H new ATOM 669 N CYS A 49 34.078 1.755 7.488 1.00 0.00 N ATOM 670 CA CYS A 49 32.764 2.124 8.174 1.00 0.00 C ATOM 671 C CYS A 49 32.027 0.992 8.963 1.00 0.00 C ATOM 672 O CYS A 49 32.299 -0.195 8.862 1.00 0.00 O ATOM 673 CB CYS A 49 31.810 2.636 7.092 1.00 0.00 C ATOM 674 SG CYS A 49 31.017 4.236 7.380 1.00 0.00 S ATOM 0 H CYS A 49 34.147 0.807 7.119 1.00 0.00 H new ATOM 0 HA CYS A 49 33.037 2.858 8.932 1.00 0.00 H new ATOM 0 HB2 CYS A 49 32.363 2.697 6.155 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.027 1.891 6.952 1.00 0.00 H new ATOM 679 N PHE A 50 31.090 1.423 9.746 1.00 0.00 N ATOM 680 CA PHE A 50 30.305 0.468 10.553 1.00 0.00 C ATOM 681 C PHE A 50 28.882 0.949 10.630 1.00 0.00 C ATOM 682 O PHE A 50 28.639 2.139 10.691 1.00 0.00 O ATOM 683 CB PHE A 50 30.866 0.422 11.973 1.00 0.00 C ATOM 684 CG PHE A 50 31.319 -1.001 12.309 1.00 0.00 C ATOM 685 CD1 PHE A 50 32.595 -1.427 11.988 1.00 0.00 C ATOM 686 CD2 PHE A 50 30.461 -1.875 12.954 1.00 0.00 C ATOM 687 CE1 PHE A 50 33.006 -2.705 12.310 1.00 0.00 C ATOM 688 CE2 PHE A 50 30.874 -3.152 13.274 1.00 0.00 C ATOM 689 CZ PHE A 50 32.146 -3.566 12.952 1.00 0.00 C ATOM 0 H PHE A 50 30.833 2.403 9.862 1.00 0.00 H new ATOM 0 HA PHE A 50 30.355 -0.520 10.095 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.706 1.111 12.064 1.00 0.00 H new ATOM 0 HB3 PHE A 50 30.107 0.749 12.684 1.00 0.00 H new ATOM 0 HD1 PHE A 50 33.274 -0.756 11.483 1.00 0.00 H new ATOM 0 HD2 PHE A 50 29.461 -1.555 13.209 1.00 0.00 H new ATOM 0 HE1 PHE A 50 34.005 -3.030 12.057 1.00 0.00 H new ATOM 0 HE2 PHE A 50 30.198 -3.827 13.778 1.00 0.00 H new ATOM 0 HZ PHE A 50 32.469 -4.566 13.203 1.00 0.00 H new ATOM 699 N CYS A 51 27.967 0.029 10.623 1.00 0.00 N ATOM 700 CA CYS A 51 26.521 0.435 10.699 1.00 0.00 C ATOM 701 C CYS A 51 25.846 -0.168 11.917 1.00 0.00 C ATOM 702 O CYS A 51 25.724 -1.368 12.028 1.00 0.00 O ATOM 703 CB CYS A 51 25.798 -0.053 9.434 1.00 0.00 C ATOM 704 SG CYS A 51 24.330 0.873 8.913 1.00 0.00 S ATOM 0 H CYS A 51 28.141 -0.975 10.569 1.00 0.00 H new ATOM 0 HA CYS A 51 26.470 1.521 10.777 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.513 -0.044 8.611 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.505 -1.091 9.591 1.00 0.00 H new ATOM 709 N VAL A 52 25.410 0.684 12.816 1.00 0.00 N ATOM 710 CA VAL A 52 24.737 0.169 14.038 1.00 0.00 C ATOM 711 C VAL A 52 23.222 0.202 13.861 1.00 0.00 C ATOM 712 O VAL A 52 22.484 -0.219 14.729 1.00 0.00 O ATOM 713 CB VAL A 52 25.133 1.045 15.249 1.00 0.00 C ATOM 714 CG1 VAL A 52 26.522 0.632 15.738 1.00 0.00 C ATOM 715 CG2 VAL A 52 25.171 2.512 14.836 1.00 0.00 C ATOM 0 H VAL A 52 25.492 1.699 12.753 1.00 0.00 H new ATOM 0 HA VAL A 52 25.050 -0.861 14.208 1.00 0.00 H new ATOM 0 HB VAL A 52 24.400 0.909 16.044 1.00 0.00 H new ATOM 0 HG11 VAL A 52 26.805 1.247 16.592 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.506 -0.416 16.036 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.246 0.770 14.935 1.00 0.00 H new ATOM 0 HG21 VAL A 52 25.451 3.124 15.693 1.00 0.00 H new ATOM 0 HG22 VAL A 52 25.903 2.647 14.040 1.00 0.00 H new ATOM 0 HG23 VAL A 52 24.187 2.815 14.479 1.00 0.00 H new ATOM 725 N ASP A 53 22.785 0.709 12.734 1.00 0.00 N ATOM 726 CA ASP A 53 21.322 0.774 12.483 1.00 0.00 C ATOM 727 C ASP A 53 20.758 -0.632 12.329 1.00 0.00 C ATOM 728 O ASP A 53 21.475 -1.545 11.972 1.00 0.00 O ATOM 729 CB ASP A 53 21.092 1.545 11.176 1.00 0.00 C ATOM 730 CG ASP A 53 19.607 1.889 11.041 1.00 0.00 C ATOM 731 OD1 ASP A 53 19.143 2.627 11.893 1.00 0.00 O ATOM 732 OD2 ASP A 53 19.021 1.392 10.092 1.00 0.00 O ATOM 0 H ASP A 53 23.375 1.076 11.987 1.00 0.00 H new ATOM 0 HA ASP A 53 20.827 1.269 13.318 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.689 2.457 11.169 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.416 0.945 10.326 1.00 0.00 H new ATOM 737 N ILE A 54 19.484 -0.790 12.593 1.00 0.00 N ATOM 738 CA ILE A 54 18.884 -2.143 12.459 1.00 0.00 C ATOM 739 C ILE A 54 17.441 -2.078 11.979 1.00 0.00 C ATOM 740 O ILE A 54 16.744 -1.108 12.210 1.00 0.00 O ATOM 741 CB ILE A 54 18.894 -2.815 13.836 1.00 0.00 C ATOM 742 CG1 ILE A 54 20.185 -2.495 14.571 1.00 0.00 C ATOM 743 CG2 ILE A 54 18.814 -4.337 13.641 1.00 0.00 C ATOM 744 CD1 ILE A 54 20.249 -3.341 15.843 1.00 0.00 C ATOM 0 H ILE A 54 18.847 -0.051 12.890 1.00 0.00 H new ATOM 0 HA ILE A 54 19.468 -2.702 11.728 1.00 0.00 H new ATOM 0 HB ILE A 54 18.047 -2.449 14.416 1.00 0.00 H new ATOM 0 HG12 ILE A 54 21.044 -2.705 13.934 1.00 0.00 H new ATOM 0 HG13 ILE A 54 20.225 -1.435 14.820 1.00 0.00 H new ATOM 0 HG21 ILE A 54 18.820 -4.829 14.614 1.00 0.00 H new ATOM 0 HG22 ILE A 54 17.894 -4.588 13.113 1.00 0.00 H new ATOM 0 HG23 ILE A 54 19.671 -4.675 13.058 1.00 0.00 H new ATOM 0 HD11 ILE A 54 21.171 -3.121 16.380 1.00 0.00 H new ATOM 0 HD12 ILE A 54 19.395 -3.108 16.478 1.00 0.00 H new ATOM 0 HD13 ILE A 54 20.227 -4.398 15.578 1.00 0.00 H new ATOM 756 N THR A 55 17.030 -3.126 11.312 1.00 0.00 N ATOM 757 CA THR A 55 15.646 -3.192 10.791 1.00 0.00 C ATOM 758 C THR A 55 15.000 -4.511 11.217 1.00 0.00 C ATOM 759 O THR A 55 15.488 -5.172 12.122 1.00 0.00 O ATOM 760 CB THR A 55 15.694 -3.123 9.262 1.00 0.00 C ATOM 761 OG1 THR A 55 14.350 -2.982 8.859 1.00 0.00 O ATOM 762 CG2 THR A 55 16.139 -4.463 8.661 1.00 0.00 C ATOM 0 H THR A 55 17.605 -3.943 11.108 1.00 0.00 H new ATOM 0 HA THR A 55 15.061 -2.361 11.186 1.00 0.00 H new ATOM 0 HB THR A 55 16.370 -2.327 8.950 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.159 -3.610 8.131 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.164 -4.384 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 55 17.134 -4.715 9.029 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.436 -5.244 8.952 1.00 0.00 H new ATOM 770 N ASP A 56 13.923 -4.876 10.554 1.00 0.00 N ATOM 771 CA ASP A 56 13.231 -6.153 10.911 1.00 0.00 C ATOM 772 C ASP A 56 13.036 -7.053 9.692 1.00 0.00 C ATOM 773 O ASP A 56 11.979 -7.620 9.509 1.00 0.00 O ATOM 774 CB ASP A 56 11.848 -5.805 11.469 1.00 0.00 C ATOM 775 CG ASP A 56 12.006 -5.036 12.781 1.00 0.00 C ATOM 776 OD1 ASP A 56 12.704 -4.037 12.742 1.00 0.00 O ATOM 777 OD2 ASP A 56 11.420 -5.491 13.749 1.00 0.00 O ATOM 0 H ASP A 56 13.500 -4.349 9.790 1.00 0.00 H new ATOM 0 HA ASP A 56 13.845 -6.685 11.638 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.294 -5.205 10.748 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.272 -6.715 11.636 1.00 0.00 H new ATOM 782 N PHE A 57 14.054 -7.172 8.884 1.00 0.00 N ATOM 783 CA PHE A 57 13.915 -8.041 7.679 1.00 0.00 C ATOM 784 C PHE A 57 15.221 -8.180 6.893 1.00 0.00 C ATOM 785 O PHE A 57 15.333 -9.039 6.039 1.00 0.00 O ATOM 786 CB PHE A 57 12.841 -7.444 6.754 1.00 0.00 C ATOM 787 CG PHE A 57 13.036 -5.931 6.634 1.00 0.00 C ATOM 788 CD1 PHE A 57 13.959 -5.410 5.744 1.00 0.00 C ATOM 789 CD2 PHE A 57 12.270 -5.062 7.393 1.00 0.00 C ATOM 790 CE1 PHE A 57 14.111 -4.043 5.616 1.00 0.00 C ATOM 791 CE2 PHE A 57 12.424 -3.698 7.263 1.00 0.00 C ATOM 792 CZ PHE A 57 13.344 -3.189 6.376 1.00 0.00 C ATOM 0 H PHE A 57 14.959 -6.716 9.001 1.00 0.00 H new ATOM 0 HA PHE A 57 13.635 -9.035 8.026 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.900 -7.906 5.769 1.00 0.00 H new ATOM 0 HB3 PHE A 57 11.848 -7.661 7.148 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.564 -6.076 5.146 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.547 -5.456 8.092 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.833 -3.644 4.919 1.00 0.00 H new ATOM 0 HE2 PHE A 57 11.821 -3.028 7.858 1.00 0.00 H new ATOM 0 HZ PHE A 57 13.464 -2.120 6.276 1.00 0.00 H new ATOM 802 N CYS A 58 16.183 -7.349 7.179 1.00 0.00 N ATOM 803 CA CYS A 58 17.462 -7.452 6.439 1.00 0.00 C ATOM 804 C CYS A 58 17.262 -7.282 4.948 1.00 0.00 C ATOM 805 O CYS A 58 16.755 -8.159 4.276 1.00 0.00 O ATOM 806 CB CYS A 58 18.087 -8.834 6.693 1.00 0.00 C ATOM 807 SG CYS A 58 19.776 -8.878 7.310 1.00 0.00 S ATOM 0 H CYS A 58 16.138 -6.613 7.884 1.00 0.00 H new ATOM 0 HA CYS A 58 18.116 -6.656 6.794 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.454 -9.364 7.405 1.00 0.00 H new ATOM 0 HB3 CYS A 58 18.055 -9.395 5.759 1.00 0.00 H new ATOM 812 N TYR A 59 17.651 -6.144 4.461 1.00 0.00 N ATOM 813 CA TYR A 59 17.501 -5.885 3.012 1.00 0.00 C ATOM 814 C TYR A 59 18.093 -7.052 2.225 1.00 0.00 C ATOM 815 O TYR A 59 18.577 -8.003 2.805 1.00 0.00 O ATOM 816 CB TYR A 59 18.262 -4.592 2.633 1.00 0.00 C ATOM 817 CG TYR A 59 18.224 -3.589 3.798 1.00 0.00 C ATOM 818 CD1 TYR A 59 19.016 -3.769 4.919 1.00 0.00 C ATOM 819 CD2 TYR A 59 17.405 -2.480 3.735 1.00 0.00 C ATOM 820 CE1 TYR A 59 18.985 -2.856 5.952 1.00 0.00 C ATOM 821 CE2 TYR A 59 17.376 -1.569 4.770 1.00 0.00 C ATOM 822 CZ TYR A 59 18.165 -1.749 5.886 1.00 0.00 C ATOM 823 OH TYR A 59 18.134 -0.838 6.922 1.00 0.00 O ATOM 0 H TYR A 59 18.065 -5.385 5.002 1.00 0.00 H new ATOM 0 HA TYR A 59 16.443 -5.773 2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.296 -4.830 2.383 1.00 0.00 H new ATOM 0 HB3 TYR A 59 17.814 -4.146 1.745 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.663 -4.631 4.985 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.781 -2.324 2.867 1.00 0.00 H new ATOM 0 HE1 TYR A 59 19.608 -3.009 6.820 1.00 0.00 H new ATOM 0 HE2 TYR A 59 16.729 -0.707 4.706 1.00 0.00 H new ATOM 0 HH TYR A 59 17.502 -0.120 6.708 1.00 0.00 H new ATOM 833 N GLU A 60 18.064 -6.960 0.925 1.00 0.00 N ATOM 834 CA GLU A 60 18.626 -8.071 0.114 1.00 0.00 C ATOM 835 C GLU A 60 20.101 -7.803 -0.260 1.00 0.00 C ATOM 836 O GLU A 60 20.517 -6.659 -0.350 1.00 0.00 O ATOM 837 CB GLU A 60 17.805 -8.172 -1.180 1.00 0.00 C ATOM 838 CG GLU A 60 16.656 -9.159 -0.968 1.00 0.00 C ATOM 839 CD GLU A 60 15.849 -9.281 -2.262 1.00 0.00 C ATOM 840 OE1 GLU A 60 15.921 -8.341 -3.035 1.00 0.00 O ATOM 841 OE2 GLU A 60 15.208 -10.308 -2.403 1.00 0.00 O ATOM 0 H GLU A 60 17.681 -6.176 0.397 1.00 0.00 H new ATOM 0 HA GLU A 60 18.581 -8.992 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 60 17.413 -7.192 -1.454 1.00 0.00 H new ATOM 0 HB3 GLU A 60 18.439 -8.504 -2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 60 17.048 -10.134 -0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 60 16.014 -8.818 -0.156 1.00 0.00 H new ATOM 848 N PRO A 61 20.877 -8.870 -0.479 1.00 0.00 N ATOM 849 CA PRO A 61 22.287 -8.719 -0.843 1.00 0.00 C ATOM 850 C PRO A 61 22.417 -7.896 -2.107 1.00 0.00 C ATOM 851 O PRO A 61 21.454 -7.694 -2.819 1.00 0.00 O ATOM 852 CB PRO A 61 22.789 -10.155 -1.105 1.00 0.00 C ATOM 853 CG PRO A 61 21.578 -11.112 -0.917 1.00 0.00 C ATOM 854 CD PRO A 61 20.405 -10.267 -0.400 1.00 0.00 C ATOM 0 HA PRO A 61 22.857 -8.214 -0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 61 23.194 -10.242 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 61 23.593 -10.413 -0.415 1.00 0.00 H new ATOM 0 HG2 PRO A 61 21.319 -11.594 -1.860 1.00 0.00 H new ATOM 0 HG3 PRO A 61 21.821 -11.905 -0.210 1.00 0.00 H new ATOM 0 HD2 PRO A 61 19.512 -10.417 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 61 20.144 -10.538 0.623 1.00 0.00 H new ATOM 862 N CYS A 62 23.596 -7.429 -2.370 1.00 0.00 N ATOM 863 CA CYS A 62 23.781 -6.615 -3.593 1.00 0.00 C ATOM 864 C CYS A 62 25.241 -6.259 -3.812 1.00 0.00 C ATOM 865 O CYS A 62 26.124 -6.772 -3.155 1.00 0.00 O ATOM 866 CB CYS A 62 22.933 -5.329 -3.434 1.00 0.00 C ATOM 867 SG CYS A 62 23.693 -3.705 -3.710 1.00 0.00 S ATOM 0 H CYS A 62 24.430 -7.572 -1.801 1.00 0.00 H new ATOM 0 HA CYS A 62 23.460 -7.187 -4.464 1.00 0.00 H new ATOM 0 HB2 CYS A 62 22.087 -5.412 -4.116 1.00 0.00 H new ATOM 0 HB3 CYS A 62 22.528 -5.330 -2.422 1.00 0.00 H new