USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=12 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 Set 1.1: A 30 ASN : amide:sc= -0.347 K(o=-1.6,f=-5.3!) USER MOD Set 1.2: A 31 SER OG : rot 180:sc= -1.21! USER MOD Set 2.1: A 17 SER OG : rot 140:sc= 0.41 USER MOD Set 2.2: A 21 GLN : amide:sc= -0.0478 X(o=0.36,f=0.15) USER MOD Set 3.1: A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.2: A 27 MET CE :methyl 160:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.28 K(o=-1.3,f=-2!) USER MOD Single : A 25 SER OG : rot -60:sc= 0.0225 USER MOD Single : A 33 HIS :FLIP no HE2:sc= -10! C(o=-11!,f=-10!) USER MOD Single : A 34 SER OG : rot 180:sc= -0.142 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= -1.91 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) USER MOD Single : A 55 THR OG1 : rot 173:sc= -0.961! USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 86 N PRO A 7 17.422 0.790 -0.888 1.00 0.00 N ATOM 87 CA PRO A 7 18.375 0.436 0.168 1.00 0.00 C ATOM 88 C PRO A 7 18.732 -1.045 0.102 1.00 0.00 C ATOM 89 O PRO A 7 17.881 -1.894 0.282 1.00 0.00 O ATOM 90 CB PRO A 7 17.642 0.739 1.490 1.00 0.00 C ATOM 91 CG PRO A 7 16.245 1.315 1.129 1.00 0.00 C ATOM 92 CD PRO A 7 16.119 1.298 -0.401 1.00 0.00 C ATOM 0 HA PRO A 7 19.307 0.993 0.070 1.00 0.00 H new ATOM 0 HB2 PRO A 7 17.540 -0.167 2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 7 18.208 1.453 2.087 1.00 0.00 H new ATOM 0 HG2 PRO A 7 15.455 0.718 1.585 1.00 0.00 H new ATOM 0 HG3 PRO A 7 16.139 2.330 1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 7 15.300 0.655 -0.722 1.00 0.00 H new ATOM 0 HD3 PRO A 7 15.913 2.295 -0.791 1.00 0.00 H new ATOM 100 N CYS A 8 19.989 -1.323 -0.162 1.00 0.00 N ATOM 101 CA CYS A 8 20.432 -2.744 -0.249 1.00 0.00 C ATOM 102 C CYS A 8 21.489 -3.059 0.794 1.00 0.00 C ATOM 103 O CYS A 8 21.734 -2.290 1.701 1.00 0.00 O ATOM 104 CB CYS A 8 21.046 -2.984 -1.637 1.00 0.00 C ATOM 105 SG CYS A 8 22.361 -1.856 -2.172 1.00 0.00 S ATOM 0 H CYS A 8 20.719 -0.629 -0.319 1.00 0.00 H new ATOM 0 HA CYS A 8 19.566 -3.383 -0.078 1.00 0.00 H new ATOM 0 HB2 CYS A 8 21.443 -3.999 -1.659 1.00 0.00 H new ATOM 0 HB3 CYS A 8 20.243 -2.939 -2.373 1.00 0.00 H new ATOM 110 N CYS A 9 22.091 -4.197 0.636 1.00 0.00 N ATOM 111 CA CYS A 9 23.145 -4.619 1.591 1.00 0.00 C ATOM 112 C CYS A 9 23.984 -5.753 1.000 1.00 0.00 C ATOM 113 O CYS A 9 23.807 -6.118 -0.139 1.00 0.00 O ATOM 114 CB CYS A 9 22.446 -5.136 2.846 1.00 0.00 C ATOM 115 SG CYS A 9 22.364 -4.028 4.280 1.00 0.00 S ATOM 0 H CYS A 9 21.898 -4.857 -0.117 1.00 0.00 H new ATOM 0 HA CYS A 9 23.801 -3.777 1.811 1.00 0.00 H new ATOM 0 HB2 CYS A 9 21.426 -5.409 2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 9 22.949 -6.052 3.157 1.00 0.00 H new ATOM 120 N ASP A 10 24.890 -6.282 1.792 1.00 0.00 N ATOM 121 CA ASP A 10 25.748 -7.395 1.292 1.00 0.00 C ATOM 122 C ASP A 10 25.774 -8.517 2.312 1.00 0.00 C ATOM 123 O ASP A 10 25.206 -9.571 2.102 1.00 0.00 O ATOM 124 CB ASP A 10 27.179 -6.868 1.102 1.00 0.00 C ATOM 125 CG ASP A 10 27.205 -5.870 -0.056 1.00 0.00 C ATOM 126 OD1 ASP A 10 26.381 -6.043 -0.939 1.00 0.00 O ATOM 127 OD2 ASP A 10 28.048 -4.990 0.008 1.00 0.00 O ATOM 0 H ASP A 10 25.068 -5.991 2.753 1.00 0.00 H new ATOM 0 HA ASP A 10 25.350 -7.768 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 10 27.526 -6.388 2.017 1.00 0.00 H new ATOM 0 HB3 ASP A 10 27.859 -7.695 0.898 1.00 0.00 H new ATOM 132 N GLN A 11 26.435 -8.268 3.401 1.00 0.00 N ATOM 133 CA GLN A 11 26.515 -9.300 4.460 1.00 0.00 C ATOM 134 C GLN A 11 25.209 -9.319 5.221 1.00 0.00 C ATOM 135 O GLN A 11 24.417 -8.416 5.090 1.00 0.00 O ATOM 136 CB GLN A 11 27.653 -8.923 5.419 1.00 0.00 C ATOM 137 CG GLN A 11 28.975 -8.908 4.644 1.00 0.00 C ATOM 138 CD GLN A 11 29.731 -10.216 4.894 1.00 0.00 C ATOM 139 OE1 GLN A 11 29.590 -11.177 4.165 1.00 0.00 O ATOM 140 NE2 GLN A 11 30.542 -10.293 5.915 1.00 0.00 N ATOM 0 H GLN A 11 26.923 -7.395 3.603 1.00 0.00 H new ATOM 0 HA GLN A 11 26.702 -10.281 4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 11 27.464 -7.944 5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 11 27.706 -9.638 6.240 1.00 0.00 H new ATOM 0 HG2 GLN A 11 28.782 -8.785 3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 11 29.583 -8.059 4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 11 30.665 -9.489 6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 11 31.053 -11.157 6.097 1.00 0.00 H new ATOM 149 N CYS A 12 24.987 -10.341 5.989 1.00 0.00 N ATOM 150 CA CYS A 12 23.711 -10.391 6.753 1.00 0.00 C ATOM 151 C CYS A 12 23.906 -11.079 8.104 1.00 0.00 C ATOM 152 O CYS A 12 24.462 -12.156 8.180 1.00 0.00 O ATOM 153 CB CYS A 12 22.697 -11.201 5.932 1.00 0.00 C ATOM 154 SG CYS A 12 21.210 -10.349 5.337 1.00 0.00 S ATOM 0 H CYS A 12 25.618 -11.131 6.122 1.00 0.00 H new ATOM 0 HA CYS A 12 23.361 -9.374 6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 12 23.218 -11.608 5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 12 22.377 -12.048 6.539 1.00 0.00 H new ATOM 159 N ALA A 13 23.444 -10.442 9.146 1.00 0.00 N ATOM 160 CA ALA A 13 23.591 -11.043 10.499 1.00 0.00 C ATOM 161 C ALA A 13 22.403 -10.675 11.378 1.00 0.00 C ATOM 162 O ALA A 13 21.916 -9.563 11.315 1.00 0.00 O ATOM 163 CB ALA A 13 24.868 -10.477 11.137 1.00 0.00 C ATOM 0 H ALA A 13 22.974 -9.537 9.118 1.00 0.00 H new ATOM 0 HA ALA A 13 23.642 -12.128 10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 13 24.998 -10.904 12.132 1.00 0.00 H new ATOM 0 HB2 ALA A 13 25.728 -10.732 10.518 1.00 0.00 H new ATOM 0 HB3 ALA A 13 24.786 -9.393 11.215 1.00 0.00 H new ATOM 169 N CYS A 14 21.953 -11.619 12.183 1.00 0.00 N ATOM 170 CA CYS A 14 20.792 -11.331 13.073 1.00 0.00 C ATOM 171 C CYS A 14 21.117 -11.614 14.525 1.00 0.00 C ATOM 172 O CYS A 14 21.885 -12.502 14.837 1.00 0.00 O ATOM 173 CB CYS A 14 19.604 -12.204 12.648 1.00 0.00 C ATOM 174 SG CYS A 14 18.106 -11.349 12.087 1.00 0.00 S ATOM 0 H CYS A 14 22.339 -12.560 12.256 1.00 0.00 H new ATOM 0 HA CYS A 14 20.548 -10.273 12.979 1.00 0.00 H new ATOM 0 HB2 CYS A 14 19.938 -12.862 11.846 1.00 0.00 H new ATOM 0 HB3 CYS A 14 19.334 -12.841 13.491 1.00 0.00 H new ATOM 179 N THR A 15 20.511 -10.843 15.387 1.00 0.00 N ATOM 180 CA THR A 15 20.747 -11.022 16.835 1.00 0.00 C ATOM 181 C THR A 15 19.564 -11.733 17.475 1.00 0.00 C ATOM 182 O THR A 15 18.423 -11.359 17.272 1.00 0.00 O ATOM 183 CB THR A 15 20.908 -9.633 17.463 1.00 0.00 C ATOM 184 OG1 THR A 15 22.302 -9.422 17.553 1.00 0.00 O ATOM 185 CG2 THR A 15 20.425 -9.621 18.916 1.00 0.00 C ATOM 0 H THR A 15 19.861 -10.096 15.143 1.00 0.00 H new ATOM 0 HA THR A 15 21.642 -11.624 16.996 1.00 0.00 H new ATOM 0 HB THR A 15 20.355 -8.901 16.874 1.00 0.00 H new ATOM 0 HG1 THR A 15 22.475 -8.542 17.949 1.00 0.00 H new ATOM 0 HG21 THR A 15 20.552 -8.622 19.333 1.00 0.00 H new ATOM 0 HG22 THR A 15 19.371 -9.898 18.951 1.00 0.00 H new ATOM 0 HG23 THR A 15 21.007 -10.335 19.499 1.00 0.00 H new ATOM 193 N LYS A 16 19.856 -12.747 18.236 1.00 0.00 N ATOM 194 CA LYS A 16 18.768 -13.500 18.899 1.00 0.00 C ATOM 195 C LYS A 16 17.963 -12.606 19.832 1.00 0.00 C ATOM 196 O LYS A 16 18.366 -12.352 20.951 1.00 0.00 O ATOM 197 CB LYS A 16 19.397 -14.629 19.721 1.00 0.00 C ATOM 198 CG LYS A 16 19.720 -15.803 18.798 1.00 0.00 C ATOM 199 CD LYS A 16 20.848 -16.629 19.419 1.00 0.00 C ATOM 200 CE LYS A 16 21.128 -17.848 18.538 1.00 0.00 C ATOM 201 NZ LYS A 16 21.995 -17.470 17.388 1.00 0.00 N ATOM 0 H LYS A 16 20.800 -13.084 18.425 1.00 0.00 H new ATOM 0 HA LYS A 16 18.096 -13.891 18.135 1.00 0.00 H new ATOM 0 HB2 LYS A 16 20.304 -14.276 20.211 1.00 0.00 H new ATOM 0 HB3 LYS A 16 18.713 -14.947 20.508 1.00 0.00 H new ATOM 0 HG2 LYS A 16 18.835 -16.423 18.653 1.00 0.00 H new ATOM 0 HG3 LYS A 16 20.018 -15.438 17.815 1.00 0.00 H new ATOM 0 HD2 LYS A 16 21.748 -16.022 19.516 1.00 0.00 H new ATOM 0 HD3 LYS A 16 20.570 -16.948 20.423 1.00 0.00 H new ATOM 0 HE2 LYS A 16 21.613 -18.626 19.127 1.00 0.00 H new ATOM 0 HE3 LYS A 16 20.189 -18.264 18.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 22.176 -18.308 16.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.518 -16.743 16.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 22.898 -17.094 17.743 1.00 0.00 H new ATOM 215 N SER A 17 16.839 -12.143 19.349 1.00 0.00 N ATOM 216 CA SER A 17 15.980 -11.263 20.184 1.00 0.00 C ATOM 217 C SER A 17 14.523 -11.693 20.065 1.00 0.00 C ATOM 218 O SER A 17 14.239 -12.808 19.672 1.00 0.00 O ATOM 219 CB SER A 17 16.130 -9.813 19.693 1.00 0.00 C ATOM 220 OG SER A 17 15.435 -9.044 20.662 1.00 0.00 O ATOM 0 H SER A 17 16.482 -12.338 18.413 1.00 0.00 H new ATOM 0 HA SER A 17 16.286 -11.337 21.228 1.00 0.00 H new ATOM 0 HB2 SER A 17 17.178 -9.520 19.629 1.00 0.00 H new ATOM 0 HB3 SER A 17 15.702 -9.683 18.699 1.00 0.00 H new ATOM 0 HG SER A 17 15.935 -8.221 20.846 1.00 0.00 H new ATOM 226 N ASN A 18 13.620 -10.813 20.398 1.00 0.00 N ATOM 227 CA ASN A 18 12.189 -11.186 20.302 1.00 0.00 C ATOM 228 C ASN A 18 11.285 -9.936 20.161 1.00 0.00 C ATOM 229 O ASN A 18 10.940 -9.331 21.156 1.00 0.00 O ATOM 230 CB ASN A 18 11.813 -11.893 21.613 1.00 0.00 C ATOM 231 CG ASN A 18 11.850 -13.408 21.403 1.00 0.00 C ATOM 232 OD1 ASN A 18 12.904 -14.009 21.322 1.00 0.00 O ATOM 233 ND2 ASN A 18 10.725 -14.063 21.312 1.00 0.00 N ATOM 0 H ASN A 18 13.810 -9.867 20.727 1.00 0.00 H new ATOM 0 HA ASN A 18 12.044 -11.819 19.427 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.506 -11.608 22.404 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.818 -11.584 21.933 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.733 -15.074 21.174 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.838 -13.564 21.379 1.00 0.00 H new ATOM 240 N PRO A 19 10.904 -9.555 18.931 1.00 0.00 N ATOM 241 CA PRO A 19 11.284 -10.238 17.672 1.00 0.00 C ATOM 242 C PRO A 19 12.797 -10.140 17.408 1.00 0.00 C ATOM 243 O PRO A 19 13.483 -9.367 18.041 1.00 0.00 O ATOM 244 CB PRO A 19 10.537 -9.462 16.569 1.00 0.00 C ATOM 245 CG PRO A 19 9.759 -8.302 17.249 1.00 0.00 C ATOM 246 CD PRO A 19 10.030 -8.389 18.757 1.00 0.00 C ATOM 0 HA PRO A 19 11.034 -11.298 17.711 1.00 0.00 H new ATOM 0 HB2 PRO A 19 11.240 -9.071 15.834 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.852 -10.121 16.036 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.085 -7.339 16.856 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.691 -8.385 17.046 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.509 -7.481 19.123 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.102 -8.507 19.316 1.00 0.00 H new ATOM 254 N PRO A 20 13.286 -10.929 16.456 1.00 0.00 N ATOM 255 CA PRO A 20 14.715 -10.926 16.109 1.00 0.00 C ATOM 256 C PRO A 20 15.149 -9.583 15.518 1.00 0.00 C ATOM 257 O PRO A 20 14.347 -8.866 14.953 1.00 0.00 O ATOM 258 CB PRO A 20 14.858 -12.012 15.023 1.00 0.00 C ATOM 259 CG PRO A 20 13.429 -12.521 14.679 1.00 0.00 C ATOM 260 CD PRO A 20 12.459 -11.873 15.678 1.00 0.00 C ATOM 0 HA PRO A 20 15.330 -11.103 16.991 1.00 0.00 H new ATOM 0 HB2 PRO A 20 15.344 -11.605 14.136 1.00 0.00 H new ATOM 0 HB3 PRO A 20 15.481 -12.832 15.380 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.162 -12.254 13.656 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.382 -13.608 14.748 1.00 0.00 H new ATOM 0 HD2 PRO A 20 11.649 -11.356 15.163 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.000 -12.621 16.324 1.00 0.00 H new ATOM 268 N GLN A 21 16.417 -9.272 15.665 1.00 0.00 N ATOM 269 CA GLN A 21 16.939 -7.988 15.122 1.00 0.00 C ATOM 270 C GLN A 21 17.863 -8.309 13.963 1.00 0.00 C ATOM 271 O GLN A 21 18.412 -9.392 13.919 1.00 0.00 O ATOM 272 CB GLN A 21 17.741 -7.283 16.226 1.00 0.00 C ATOM 273 CG GLN A 21 16.968 -6.050 16.698 1.00 0.00 C ATOM 274 CD GLN A 21 15.641 -6.493 17.319 1.00 0.00 C ATOM 275 OE1 GLN A 21 14.624 -6.558 16.657 1.00 0.00 O ATOM 276 NE2 GLN A 21 15.606 -6.806 18.587 1.00 0.00 N ATOM 0 H GLN A 21 17.107 -9.855 16.138 1.00 0.00 H new ATOM 0 HA GLN A 21 16.124 -7.346 14.789 1.00 0.00 H new ATOM 0 HB2 GLN A 21 17.910 -7.963 17.061 1.00 0.00 H new ATOM 0 HB3 GLN A 21 18.721 -6.991 15.850 1.00 0.00 H new ATOM 0 HG2 GLN A 21 17.557 -5.495 17.428 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.784 -5.379 15.859 1.00 0.00 H new ATOM 0 HE21 GLN A 21 16.456 -6.754 19.149 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.729 -7.103 19.015 1.00 0.00 H new ATOM 285 N CYS A 22 18.045 -7.398 13.033 1.00 0.00 N ATOM 286 CA CYS A 22 18.957 -7.759 11.917 1.00 0.00 C ATOM 287 C CYS A 22 19.620 -6.591 11.219 1.00 0.00 C ATOM 288 O CYS A 22 18.977 -5.712 10.686 1.00 0.00 O ATOM 289 CB CYS A 22 18.154 -8.559 10.884 1.00 0.00 C ATOM 290 SG CYS A 22 18.721 -10.242 10.509 1.00 0.00 S ATOM 0 H CYS A 22 17.623 -6.470 13.001 1.00 0.00 H new ATOM 0 HA CYS A 22 19.770 -8.332 12.363 1.00 0.00 H new ATOM 0 HB2 CYS A 22 17.123 -8.620 11.233 1.00 0.00 H new ATOM 0 HB3 CYS A 22 18.143 -7.992 9.953 1.00 0.00 H new ATOM 295 N ARG A 23 20.923 -6.637 11.248 1.00 0.00 N ATOM 296 CA ARG A 23 21.743 -5.588 10.611 1.00 0.00 C ATOM 297 C ARG A 23 22.533 -6.258 9.497 1.00 0.00 C ATOM 298 O ARG A 23 23.089 -7.324 9.700 1.00 0.00 O ATOM 299 CB ARG A 23 22.708 -4.990 11.678 1.00 0.00 C ATOM 300 CG ARG A 23 24.181 -5.066 11.205 1.00 0.00 C ATOM 301 CD ARG A 23 25.079 -4.355 12.224 1.00 0.00 C ATOM 302 NE ARG A 23 24.297 -4.073 13.458 1.00 0.00 N ATOM 303 CZ ARG A 23 24.929 -3.845 14.577 1.00 0.00 C ATOM 304 NH1 ARG A 23 25.876 -2.946 14.597 1.00 0.00 N ATOM 305 NH2 ARG A 23 24.590 -4.522 15.639 1.00 0.00 N ATOM 0 H ARG A 23 21.459 -7.378 11.699 1.00 0.00 H new ATOM 0 HA ARG A 23 21.130 -4.782 10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 23 22.439 -3.952 11.874 1.00 0.00 H new ATOM 0 HB3 ARG A 23 22.596 -5.531 12.617 1.00 0.00 H new ATOM 0 HG2 ARG A 23 24.487 -6.107 11.097 1.00 0.00 H new ATOM 0 HG3 ARG A 23 24.285 -4.600 10.225 1.00 0.00 H new ATOM 0 HD2 ARG A 23 25.942 -4.977 12.461 1.00 0.00 H new ATOM 0 HD3 ARG A 23 25.462 -3.426 11.802 1.00 0.00 H new ATOM 0 HE ARG A 23 23.278 -4.058 13.430 1.00 0.00 H new ATOM 0 HH11 ARG A 23 26.112 -2.434 13.747 1.00 0.00 H new ATOM 0 HH12 ARG A 23 26.380 -2.755 15.463 1.00 0.00 H new ATOM 0 HH21 ARG A 23 23.843 -5.215 15.585 1.00 0.00 H new ATOM 0 HH22 ARG A 23 25.072 -4.359 16.523 1.00 0.00 H new ATOM 319 N CYS A 24 22.561 -5.648 8.342 1.00 0.00 N ATOM 320 CA CYS A 24 23.302 -6.244 7.226 1.00 0.00 C ATOM 321 C CYS A 24 24.431 -5.342 6.746 1.00 0.00 C ATOM 322 O CYS A 24 24.582 -4.229 7.209 1.00 0.00 O ATOM 323 CB CYS A 24 22.304 -6.446 6.106 1.00 0.00 C ATOM 324 SG CYS A 24 21.267 -5.039 5.645 1.00 0.00 S ATOM 0 H CYS A 24 22.098 -4.763 8.136 1.00 0.00 H new ATOM 0 HA CYS A 24 23.760 -7.181 7.544 1.00 0.00 H new ATOM 0 HB2 CYS A 24 22.853 -6.763 5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 24 21.647 -7.270 6.386 1.00 0.00 H new ATOM 329 N SER A 25 25.204 -5.848 5.816 1.00 0.00 N ATOM 330 CA SER A 25 26.336 -5.040 5.288 1.00 0.00 C ATOM 331 C SER A 25 27.073 -4.398 6.444 1.00 0.00 C ATOM 332 O SER A 25 27.465 -3.249 6.388 1.00 0.00 O ATOM 333 CB SER A 25 25.788 -3.946 4.372 1.00 0.00 C ATOM 334 OG SER A 25 26.884 -3.624 3.527 1.00 0.00 O ATOM 0 H SER A 25 25.098 -6.776 5.406 1.00 0.00 H new ATOM 0 HA SER A 25 27.017 -5.682 4.729 1.00 0.00 H new ATOM 0 HB2 SER A 25 24.931 -4.298 3.798 1.00 0.00 H new ATOM 0 HB3 SER A 25 25.455 -3.078 4.942 1.00 0.00 H new ATOM 0 HG SER A 25 27.632 -3.299 4.071 1.00 0.00 H new ATOM 340 N ASP A 26 27.227 -5.176 7.473 1.00 0.00 N ATOM 341 CA ASP A 26 27.923 -4.709 8.689 1.00 0.00 C ATOM 342 C ASP A 26 29.049 -3.722 8.371 1.00 0.00 C ATOM 343 O ASP A 26 28.996 -2.576 8.774 1.00 0.00 O ATOM 344 CB ASP A 26 28.512 -5.947 9.367 1.00 0.00 C ATOM 345 CG ASP A 26 27.636 -6.341 10.560 1.00 0.00 C ATOM 346 OD1 ASP A 26 26.594 -6.920 10.299 1.00 0.00 O ATOM 347 OD2 ASP A 26 28.058 -6.045 11.663 1.00 0.00 O ATOM 0 H ASP A 26 26.890 -6.138 7.519 1.00 0.00 H new ATOM 0 HA ASP A 26 27.215 -4.184 9.330 1.00 0.00 H new ATOM 0 HB2 ASP A 26 28.569 -6.771 8.656 1.00 0.00 H new ATOM 0 HB3 ASP A 26 29.529 -5.743 9.701 1.00 0.00 H new ATOM 352 N MET A 27 30.043 -4.179 7.655 1.00 0.00 N ATOM 353 CA MET A 27 31.173 -3.276 7.310 1.00 0.00 C ATOM 354 C MET A 27 31.037 -2.749 5.890 1.00 0.00 C ATOM 355 O MET A 27 30.388 -3.351 5.057 1.00 0.00 O ATOM 356 CB MET A 27 32.481 -4.072 7.395 1.00 0.00 C ATOM 357 CG MET A 27 32.270 -5.344 8.222 1.00 0.00 C ATOM 358 SD MET A 27 31.422 -6.729 7.417 1.00 0.00 S ATOM 359 CE MET A 27 31.893 -8.002 8.612 1.00 0.00 C ATOM 0 H MET A 27 30.119 -5.131 7.298 1.00 0.00 H new ATOM 0 HA MET A 27 31.169 -2.437 8.006 1.00 0.00 H new ATOM 0 HB2 MET A 27 32.823 -4.333 6.393 1.00 0.00 H new ATOM 0 HB3 MET A 27 33.260 -3.459 7.848 1.00 0.00 H new ATOM 0 HG2 MET A 27 33.246 -5.695 8.556 1.00 0.00 H new ATOM 0 HG3 MET A 27 31.705 -5.076 9.115 1.00 0.00 H new ATOM 0 HE1 MET A 27 31.212 -8.849 8.529 1.00 0.00 H new ATOM 0 HE2 MET A 27 32.911 -8.333 8.408 1.00 0.00 H new ATOM 0 HE3 MET A 27 31.840 -7.592 9.620 1.00 0.00 H new ATOM 369 N ARG A 28 31.655 -1.631 5.642 1.00 0.00 N ATOM 370 CA ARG A 28 31.584 -1.036 4.287 1.00 0.00 C ATOM 371 C ARG A 28 32.725 -0.051 4.081 1.00 0.00 C ATOM 372 O ARG A 28 33.352 0.382 5.025 1.00 0.00 O ATOM 373 CB ARG A 28 30.249 -0.282 4.130 1.00 0.00 C ATOM 374 CG ARG A 28 29.750 0.183 5.502 1.00 0.00 C ATOM 375 CD ARG A 28 28.509 1.061 5.322 1.00 0.00 C ATOM 376 NE ARG A 28 28.061 0.995 3.902 1.00 0.00 N ATOM 377 CZ ARG A 28 26.788 0.892 3.637 1.00 0.00 C ATOM 378 NH1 ARG A 28 26.063 1.975 3.607 1.00 0.00 N ATOM 379 NH2 ARG A 28 26.285 -0.290 3.405 1.00 0.00 N ATOM 0 H ARG A 28 32.206 -1.105 6.321 1.00 0.00 H new ATOM 0 HA ARG A 28 31.658 -1.836 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 28 30.381 0.576 3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 28 29.507 -0.931 3.664 1.00 0.00 H new ATOM 0 HG2 ARG A 28 29.512 -0.679 6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 28 30.533 0.742 6.016 1.00 0.00 H new ATOM 0 HD2 ARG A 28 27.711 0.723 5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 28 28.735 2.091 5.596 1.00 0.00 H new ATOM 0 HE ARG A 28 28.743 1.030 3.145 1.00 0.00 H new ATOM 0 HH11 ARG A 28 26.493 2.882 3.789 1.00 0.00 H new ATOM 0 HH12 ARG A 28 25.066 1.916 3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 28 26.885 -1.114 3.433 1.00 0.00 H new ATOM 0 HH22 ARG A 28 25.292 -0.389 3.196 1.00 0.00 H new ATOM 393 N LEU A 29 32.975 0.284 2.849 1.00 0.00 N ATOM 394 CA LEU A 29 34.073 1.239 2.561 1.00 0.00 C ATOM 395 C LEU A 29 33.746 2.609 3.142 1.00 0.00 C ATOM 396 O LEU A 29 32.939 2.718 4.031 1.00 0.00 O ATOM 397 CB LEU A 29 34.219 1.336 1.017 1.00 0.00 C ATOM 398 CG LEU A 29 35.687 1.129 0.568 1.00 0.00 C ATOM 399 CD1 LEU A 29 36.527 2.322 1.013 1.00 0.00 C ATOM 400 CD2 LEU A 29 36.271 -0.158 1.179 1.00 0.00 C ATOM 0 H LEU A 29 32.469 -0.061 2.033 1.00 0.00 H new ATOM 0 HA LEU A 29 35.003 0.895 3.013 1.00 0.00 H new ATOM 0 HB2 LEU A 29 33.584 0.587 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 29 33.869 2.311 0.679 1.00 0.00 H new ATOM 0 HG LEU A 29 35.707 1.040 -0.518 1.00 0.00 H new ATOM 0 HD11 LEU A 29 37.560 2.177 0.698 1.00 0.00 H new ATOM 0 HD12 LEU A 29 36.134 3.233 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 29 36.488 2.410 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 29 37.303 -0.282 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 29 36.243 -0.090 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 29 35.681 -1.015 0.854 1.00 0.00 H new ATOM 412 N ASN A 30 34.363 3.629 2.616 1.00 0.00 N ATOM 413 CA ASN A 30 34.093 4.989 3.139 1.00 0.00 C ATOM 414 C ASN A 30 32.752 5.531 2.641 1.00 0.00 C ATOM 415 O ASN A 30 32.300 5.201 1.563 1.00 0.00 O ATOM 416 CB ASN A 30 35.206 5.920 2.640 1.00 0.00 C ATOM 417 CG ASN A 30 34.991 6.214 1.153 1.00 0.00 C ATOM 418 OD1 ASN A 30 34.811 5.320 0.351 1.00 0.00 O ATOM 419 ND2 ASN A 30 35.006 7.454 0.744 1.00 0.00 N ATOM 0 H ASN A 30 35.037 3.578 1.852 1.00 0.00 H new ATOM 0 HA ASN A 30 34.059 4.942 4.227 1.00 0.00 H new ATOM 0 HB2 ASN A 30 35.202 6.849 3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 30 36.180 5.456 2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 30 34.867 7.667 -0.244 1.00 0.00 H new ATOM 0 HD22 ASN A 30 35.157 8.210 1.412 1.00 0.00 H new ATOM 426 N SER A 31 32.147 6.356 3.456 1.00 0.00 N ATOM 427 CA SER A 31 30.833 6.955 3.088 1.00 0.00 C ATOM 428 C SER A 31 29.733 5.912 3.010 1.00 0.00 C ATOM 429 O SER A 31 29.933 4.814 2.530 1.00 0.00 O ATOM 430 CB SER A 31 30.946 7.629 1.724 1.00 0.00 C ATOM 431 OG SER A 31 32.335 7.869 1.560 1.00 0.00 O ATOM 0 H SER A 31 32.510 6.641 4.365 1.00 0.00 H new ATOM 0 HA SER A 31 30.576 7.675 3.865 1.00 0.00 H new ATOM 0 HB2 SER A 31 30.558 6.989 0.932 1.00 0.00 H new ATOM 0 HB3 SER A 31 30.376 8.558 1.692 1.00 0.00 H new ATOM 0 HG SER A 31 32.492 8.304 0.696 1.00 0.00 H new ATOM 437 N CYS A 32 28.588 6.294 3.491 1.00 0.00 N ATOM 438 CA CYS A 32 27.420 5.372 3.478 1.00 0.00 C ATOM 439 C CYS A 32 26.458 5.765 2.352 1.00 0.00 C ATOM 440 O CYS A 32 26.831 6.499 1.456 1.00 0.00 O ATOM 441 CB CYS A 32 26.708 5.497 4.840 1.00 0.00 C ATOM 442 SG CYS A 32 27.387 6.683 6.015 1.00 0.00 S ATOM 0 H CYS A 32 28.408 7.212 3.896 1.00 0.00 H new ATOM 0 HA CYS A 32 27.747 4.346 3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 32 25.667 5.762 4.655 1.00 0.00 H new ATOM 0 HB3 CYS A 32 26.707 4.515 5.313 1.00 0.00 H new ATOM 447 N HIS A 33 25.241 5.274 2.411 1.00 0.00 N ATOM 448 CA HIS A 33 24.263 5.625 1.343 1.00 0.00 C ATOM 449 C HIS A 33 22.857 5.832 1.915 1.00 0.00 C ATOM 450 O HIS A 33 22.655 6.668 2.773 1.00 0.00 O ATOM 451 CB HIS A 33 24.231 4.498 0.297 1.00 0.00 C ATOM 452 CG HIS A 33 23.835 3.178 0.956 1.00 0.00 C ATOM 453 ND1 HIS A 33 23.658 1.932 0.386 1.00 0.00 N flip ATOM 454 CD2 HIS A 33 23.587 3.025 2.173 1.00 0.00 C flip ATOM 455 CE1 HIS A 33 23.291 1.051 1.345 1.00 0.00 C flip ATOM 456 NE2 HIS A 33 23.273 1.821 2.428 1.00 0.00 N flip ATOM 0 H HIS A 33 24.891 4.655 3.143 1.00 0.00 H new ATOM 0 HA HIS A 33 24.580 6.561 0.883 1.00 0.00 H new ATOM 0 HB2 HIS A 33 23.522 4.745 -0.493 1.00 0.00 H new ATOM 0 HB3 HIS A 33 25.210 4.399 -0.172 1.00 0.00 H new ATOM 0 HD1 HIS A 33 23.784 1.711 -0.602 1.00 0.00 H new ATOM 0 HD2 HIS A 33 23.634 3.813 2.910 1.00 0.00 H new ATOM 0 HE1 HIS A 33 23.070 -0.002 1.254 1.00 0.00 H new ATOM 464 N SER A 34 21.909 5.070 1.431 1.00 0.00 N ATOM 465 CA SER A 34 20.522 5.222 1.938 1.00 0.00 C ATOM 466 C SER A 34 20.210 4.289 3.101 1.00 0.00 C ATOM 467 O SER A 34 19.611 4.689 4.078 1.00 0.00 O ATOM 468 CB SER A 34 19.571 4.888 0.787 1.00 0.00 C ATOM 469 OG SER A 34 18.802 3.797 1.277 1.00 0.00 O ATOM 0 H SER A 34 22.038 4.357 0.713 1.00 0.00 H new ATOM 0 HA SER A 34 20.404 6.243 2.300 1.00 0.00 H new ATOM 0 HB2 SER A 34 18.939 5.739 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 34 20.118 4.616 -0.116 1.00 0.00 H new ATOM 0 HG SER A 34 18.158 3.518 0.593 1.00 0.00 H new ATOM 475 N ALA A 35 20.624 3.076 2.976 1.00 0.00 N ATOM 476 CA ALA A 35 20.359 2.093 4.064 1.00 0.00 C ATOM 477 C ALA A 35 21.348 2.250 5.227 1.00 0.00 C ATOM 478 O ALA A 35 21.671 1.296 5.907 1.00 0.00 O ATOM 479 CB ALA A 35 20.488 0.676 3.462 1.00 0.00 C ATOM 0 H ALA A 35 21.135 2.712 2.172 1.00 0.00 H new ATOM 0 HA ALA A 35 19.359 2.264 4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.299 -0.067 4.237 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.762 0.555 2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 35 21.494 0.539 3.066 1.00 0.00 H new ATOM 485 N CYS A 36 21.794 3.455 5.454 1.00 0.00 N ATOM 486 CA CYS A 36 22.752 3.664 6.565 1.00 0.00 C ATOM 487 C CYS A 36 22.826 5.132 6.970 1.00 0.00 C ATOM 488 O CYS A 36 23.556 5.905 6.383 1.00 0.00 O ATOM 489 CB CYS A 36 24.141 3.215 6.094 1.00 0.00 C ATOM 490 SG CYS A 36 24.505 1.444 6.154 1.00 0.00 S ATOM 0 H CYS A 36 21.539 4.289 4.925 1.00 0.00 H new ATOM 0 HA CYS A 36 22.417 3.087 7.427 1.00 0.00 H new ATOM 0 HB2 CYS A 36 24.274 3.552 5.066 1.00 0.00 H new ATOM 0 HB3 CYS A 36 24.886 3.733 6.698 1.00 0.00 H new ATOM 495 N LYS A 37 22.065 5.489 7.966 1.00 0.00 N ATOM 496 CA LYS A 37 22.081 6.898 8.425 1.00 0.00 C ATOM 497 C LYS A 37 23.102 7.065 9.529 1.00 0.00 C ATOM 498 O LYS A 37 23.868 8.008 9.542 1.00 0.00 O ATOM 499 CB LYS A 37 20.688 7.257 8.968 1.00 0.00 C ATOM 500 CG LYS A 37 19.816 7.772 7.819 1.00 0.00 C ATOM 501 CD LYS A 37 18.476 8.247 8.379 1.00 0.00 C ATOM 502 CE LYS A 37 17.467 8.343 7.235 1.00 0.00 C ATOM 503 NZ LYS A 37 16.171 8.888 7.725 1.00 0.00 N ATOM 0 H LYS A 37 21.438 4.868 8.477 1.00 0.00 H new ATOM 0 HA LYS A 37 22.342 7.552 7.592 1.00 0.00 H new ATOM 0 HB2 LYS A 37 20.227 6.382 9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 37 20.772 8.017 9.745 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.319 8.590 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.657 6.982 7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.118 7.553 9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.592 9.217 8.862 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.862 8.984 6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.311 7.357 6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 15.498 8.946 6.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.787 8.262 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.322 9.837 8.122 1.00 0.00 H new ATOM 517 N SER A 38 23.086 6.142 10.429 1.00 0.00 N ATOM 518 CA SER A 38 24.041 6.194 11.561 1.00 0.00 C ATOM 519 C SER A 38 25.220 5.277 11.270 1.00 0.00 C ATOM 520 O SER A 38 25.317 4.195 11.803 1.00 0.00 O ATOM 521 CB SER A 38 23.324 5.699 12.823 1.00 0.00 C ATOM 522 OG SER A 38 22.496 6.790 13.201 1.00 0.00 O ATOM 0 H SER A 38 22.449 5.345 10.434 1.00 0.00 H new ATOM 0 HA SER A 38 24.399 7.214 11.701 1.00 0.00 H new ATOM 0 HB2 SER A 38 22.736 4.803 12.622 1.00 0.00 H new ATOM 0 HB3 SER A 38 24.033 5.445 13.611 1.00 0.00 H new ATOM 0 HG SER A 38 21.994 6.555 14.009 1.00 0.00 H new ATOM 528 N CYS A 39 26.086 5.725 10.411 1.00 0.00 N ATOM 529 CA CYS A 39 27.251 4.917 10.063 1.00 0.00 C ATOM 530 C CYS A 39 28.506 5.321 10.841 1.00 0.00 C ATOM 531 O CYS A 39 28.828 6.487 10.946 1.00 0.00 O ATOM 532 CB CYS A 39 27.522 5.168 8.594 1.00 0.00 C ATOM 533 SG CYS A 39 26.404 6.280 7.724 1.00 0.00 S ATOM 0 H CYS A 39 26.025 6.626 9.938 1.00 0.00 H new ATOM 0 HA CYS A 39 27.038 3.875 10.300 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.533 5.566 8.501 1.00 0.00 H new ATOM 0 HB3 CYS A 39 27.509 4.207 8.080 1.00 0.00 H new ATOM 538 N ILE A 40 29.187 4.341 11.377 1.00 0.00 N ATOM 539 CA ILE A 40 30.425 4.642 12.149 1.00 0.00 C ATOM 540 C ILE A 40 31.570 4.744 11.159 1.00 0.00 C ATOM 541 O ILE A 40 31.527 4.095 10.140 1.00 0.00 O ATOM 542 CB ILE A 40 30.697 3.469 13.101 1.00 0.00 C ATOM 543 CG1 ILE A 40 29.400 3.067 13.806 1.00 0.00 C ATOM 544 CG2 ILE A 40 31.756 3.896 14.154 1.00 0.00 C ATOM 545 CD1 ILE A 40 28.671 4.322 14.301 1.00 0.00 C ATOM 0 H ILE A 40 28.940 3.353 11.313 1.00 0.00 H new ATOM 0 HA ILE A 40 30.321 5.567 12.716 1.00 0.00 H new ATOM 0 HB ILE A 40 31.073 2.618 12.533 1.00 0.00 H new ATOM 0 HG12 ILE A 40 28.761 2.509 13.122 1.00 0.00 H new ATOM 0 HG13 ILE A 40 29.620 2.408 14.646 1.00 0.00 H new ATOM 0 HG21 ILE A 40 31.951 3.065 14.832 1.00 0.00 H new ATOM 0 HG22 ILE A 40 32.680 4.176 13.648 1.00 0.00 H new ATOM 0 HG23 ILE A 40 31.381 4.747 14.723 1.00 0.00 H new ATOM 0 HD11 ILE A 40 27.748 4.032 14.803 1.00 0.00 H new ATOM 0 HD12 ILE A 40 29.310 4.862 15.000 1.00 0.00 H new ATOM 0 HD13 ILE A 40 28.437 4.965 13.453 1.00 0.00 H new ATOM 557 N CYS A 41 32.580 5.534 11.439 1.00 0.00 N ATOM 558 CA CYS A 41 33.676 5.602 10.438 1.00 0.00 C ATOM 559 C CYS A 41 35.034 5.916 11.011 1.00 0.00 C ATOM 560 O CYS A 41 35.199 6.758 11.871 1.00 0.00 O ATOM 561 CB CYS A 41 33.346 6.675 9.409 1.00 0.00 C ATOM 562 SG CYS A 41 33.176 6.153 7.682 1.00 0.00 S ATOM 0 H CYS A 41 32.688 6.107 12.276 1.00 0.00 H new ATOM 0 HA CYS A 41 33.737 4.604 10.003 1.00 0.00 H new ATOM 0 HB2 CYS A 41 32.414 7.154 9.709 1.00 0.00 H new ATOM 0 HB3 CYS A 41 34.125 7.436 9.455 1.00 0.00 H new ATOM 567 N ALA A 42 35.984 5.200 10.493 1.00 0.00 N ATOM 568 CA ALA A 42 37.381 5.366 10.922 1.00 0.00 C ATOM 569 C ALA A 42 38.139 6.142 9.853 1.00 0.00 C ATOM 570 O ALA A 42 38.267 5.679 8.721 1.00 0.00 O ATOM 571 CB ALA A 42 38.015 3.977 11.078 1.00 0.00 C ATOM 0 H ALA A 42 35.841 4.491 9.773 1.00 0.00 H new ATOM 0 HA ALA A 42 37.422 5.905 11.868 1.00 0.00 H new ATOM 0 HB1 ALA A 42 39.052 4.084 11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 42 37.463 3.407 11.826 1.00 0.00 H new ATOM 0 HB3 ALA A 42 37.981 3.452 10.123 1.00 0.00 H new ATOM 577 N LEU A 43 38.616 7.304 10.209 1.00 0.00 N ATOM 578 CA LEU A 43 39.365 8.115 9.218 1.00 0.00 C ATOM 579 C LEU A 43 40.613 7.379 8.753 1.00 0.00 C ATOM 580 O LEU A 43 41.650 7.446 9.384 1.00 0.00 O ATOM 581 CB LEU A 43 39.787 9.440 9.882 1.00 0.00 C ATOM 582 CG LEU A 43 38.674 10.500 9.724 1.00 0.00 C ATOM 583 CD1 LEU A 43 38.483 10.848 8.237 1.00 0.00 C ATOM 584 CD2 LEU A 43 37.355 9.958 10.298 1.00 0.00 C ATOM 0 H LEU A 43 38.519 7.720 11.135 1.00 0.00 H new ATOM 0 HA LEU A 43 38.725 8.300 8.356 1.00 0.00 H new ATOM 0 HB2 LEU A 43 39.993 9.275 10.939 1.00 0.00 H new ATOM 0 HB3 LEU A 43 40.710 9.803 9.430 1.00 0.00 H new ATOM 0 HG LEU A 43 38.964 11.400 10.267 1.00 0.00 H new ATOM 0 HD11 LEU A 43 37.696 11.596 8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 43 39.415 11.245 7.834 1.00 0.00 H new ATOM 0 HD13 LEU A 43 38.202 9.950 7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 43 36.573 10.709 10.184 1.00 0.00 H new ATOM 0 HD22 LEU A 43 37.070 9.053 9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 43 37.486 9.727 11.355 1.00 0.00 H new ATOM 596 N SER A 44 40.481 6.688 7.654 1.00 0.00 N ATOM 597 CA SER A 44 41.637 5.931 7.107 1.00 0.00 C ATOM 598 C SER A 44 41.737 6.132 5.599 1.00 0.00 C ATOM 599 O SER A 44 40.985 6.896 5.023 1.00 0.00 O ATOM 600 CB SER A 44 41.424 4.437 7.398 1.00 0.00 C ATOM 601 OG SER A 44 40.082 4.356 7.858 1.00 0.00 O ATOM 0 H SER A 44 39.620 6.616 7.112 1.00 0.00 H new ATOM 0 HA SER A 44 42.555 6.288 7.573 1.00 0.00 H new ATOM 0 HB2 SER A 44 41.575 3.832 6.504 1.00 0.00 H new ATOM 0 HB3 SER A 44 42.125 4.075 8.150 1.00 0.00 H new ATOM 0 HG SER A 44 39.864 3.424 8.067 1.00 0.00 H new ATOM 607 N TYR A 45 42.656 5.439 4.984 1.00 0.00 N ATOM 608 CA TYR A 45 42.815 5.583 3.515 1.00 0.00 C ATOM 609 C TYR A 45 43.254 4.245 2.872 1.00 0.00 C ATOM 610 O TYR A 45 44.418 3.905 2.930 1.00 0.00 O ATOM 611 CB TYR A 45 43.933 6.609 3.264 1.00 0.00 C ATOM 612 CG TYR A 45 43.630 7.895 4.031 1.00 0.00 C ATOM 613 CD1 TYR A 45 44.027 8.036 5.345 1.00 0.00 C ATOM 614 CD2 TYR A 45 42.961 8.935 3.420 1.00 0.00 C ATOM 615 CE1 TYR A 45 43.759 9.199 6.036 1.00 0.00 C ATOM 616 CE2 TYR A 45 42.692 10.099 4.110 1.00 0.00 C ATOM 617 CZ TYR A 45 43.090 10.240 5.424 1.00 0.00 C ATOM 618 OH TYR A 45 42.826 11.406 6.113 1.00 0.00 O ATOM 0 H TYR A 45 43.297 4.785 5.433 1.00 0.00 H new ATOM 0 HA TYR A 45 41.864 5.893 3.082 1.00 0.00 H new ATOM 0 HB2 TYR A 45 44.893 6.201 3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 45 44.014 6.820 2.198 1.00 0.00 H new ATOM 0 HD1 TYR A 45 44.551 7.230 5.836 1.00 0.00 H new ATOM 0 HD2 TYR A 45 42.645 8.837 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 45 44.075 9.296 7.064 1.00 0.00 H new ATOM 0 HE2 TYR A 45 42.167 10.905 3.619 1.00 0.00 H new ATOM 0 HH TYR A 45 42.349 12.031 5.528 1.00 0.00 H new ATOM 628 N PRO A 46 42.329 3.492 2.266 1.00 0.00 N ATOM 629 CA PRO A 46 40.892 3.834 2.155 1.00 0.00 C ATOM 630 C PRO A 46 40.215 3.925 3.523 1.00 0.00 C ATOM 631 O PRO A 46 40.579 3.222 4.444 1.00 0.00 O ATOM 632 CB PRO A 46 40.272 2.654 1.376 1.00 0.00 C ATOM 633 CG PRO A 46 41.413 1.658 1.037 1.00 0.00 C ATOM 634 CD PRO A 46 42.706 2.217 1.643 1.00 0.00 C ATOM 0 HA PRO A 46 40.762 4.803 1.673 1.00 0.00 H new ATOM 0 HB2 PRO A 46 39.502 2.165 1.973 1.00 0.00 H new ATOM 0 HB3 PRO A 46 39.791 3.009 0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 46 41.194 0.671 1.444 1.00 0.00 H new ATOM 0 HG3 PRO A 46 41.514 1.543 -0.042 1.00 0.00 H new ATOM 0 HD2 PRO A 46 43.124 1.529 2.378 1.00 0.00 H new ATOM 0 HD3 PRO A 46 43.467 2.365 0.876 1.00 0.00 H new ATOM 642 N ALA A 47 39.239 4.790 3.631 1.00 0.00 N ATOM 643 CA ALA A 47 38.533 4.931 4.925 1.00 0.00 C ATOM 644 C ALA A 47 37.615 3.742 5.130 1.00 0.00 C ATOM 645 O ALA A 47 37.203 3.126 4.174 1.00 0.00 O ATOM 646 CB ALA A 47 37.681 6.206 4.873 1.00 0.00 C ATOM 0 H ALA A 47 38.907 5.397 2.882 1.00 0.00 H new ATOM 0 HA ALA A 47 39.255 4.982 5.740 1.00 0.00 H new ATOM 0 HB1 ALA A 47 37.152 6.329 5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 47 38.326 7.068 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 47 36.959 6.128 4.060 1.00 0.00 H new ATOM 652 N GLN A 48 37.310 3.435 6.365 1.00 0.00 N ATOM 653 CA GLN A 48 36.404 2.266 6.623 1.00 0.00 C ATOM 654 C GLN A 48 35.175 2.711 7.396 1.00 0.00 C ATOM 655 O GLN A 48 35.265 3.574 8.248 1.00 0.00 O ATOM 656 CB GLN A 48 37.168 1.229 7.462 1.00 0.00 C ATOM 657 CG GLN A 48 38.393 0.747 6.681 1.00 0.00 C ATOM 658 CD GLN A 48 38.948 -0.518 7.343 1.00 0.00 C ATOM 659 OE1 GLN A 48 39.470 -0.480 8.440 1.00 0.00 O ATOM 660 NE2 GLN A 48 38.856 -1.657 6.711 1.00 0.00 N ATOM 0 H GLN A 48 37.640 3.930 7.194 1.00 0.00 H new ATOM 0 HA GLN A 48 36.090 1.838 5.671 1.00 0.00 H new ATOM 0 HB2 GLN A 48 37.477 1.669 8.410 1.00 0.00 H new ATOM 0 HB3 GLN A 48 36.519 0.386 7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 48 38.121 0.540 5.646 1.00 0.00 H new ATOM 0 HG3 GLN A 48 39.156 1.526 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 48 38.419 -1.695 5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 48 39.221 -2.508 7.138 1.00 0.00 H new ATOM 669 N CYS A 49 34.037 2.121 7.086 1.00 0.00 N ATOM 670 CA CYS A 49 32.800 2.518 7.811 1.00 0.00 C ATOM 671 C CYS A 49 31.931 1.332 8.183 1.00 0.00 C ATOM 672 O CYS A 49 32.077 0.245 7.661 1.00 0.00 O ATOM 673 CB CYS A 49 31.994 3.477 6.921 1.00 0.00 C ATOM 674 SG CYS A 49 31.479 5.053 7.646 1.00 0.00 S ATOM 0 H CYS A 49 33.921 1.398 6.376 1.00 0.00 H new ATOM 0 HA CYS A 49 33.101 2.999 8.741 1.00 0.00 H new ATOM 0 HB2 CYS A 49 32.589 3.693 6.034 1.00 0.00 H new ATOM 0 HB3 CYS A 49 31.099 2.953 6.585 1.00 0.00 H new ATOM 679 N PHE A 50 31.051 1.584 9.110 1.00 0.00 N ATOM 680 CA PHE A 50 30.130 0.533 9.585 1.00 0.00 C ATOM 681 C PHE A 50 28.713 1.073 9.628 1.00 0.00 C ATOM 682 O PHE A 50 28.502 2.257 9.501 1.00 0.00 O ATOM 683 CB PHE A 50 30.553 0.164 11.012 1.00 0.00 C ATOM 684 CG PHE A 50 30.452 -1.344 11.213 1.00 0.00 C ATOM 685 CD1 PHE A 50 29.241 -1.925 11.535 1.00 0.00 C ATOM 686 CD2 PHE A 50 31.578 -2.142 11.113 1.00 0.00 C ATOM 687 CE1 PHE A 50 29.157 -3.282 11.757 1.00 0.00 C ATOM 688 CE2 PHE A 50 31.491 -3.499 11.335 1.00 0.00 C ATOM 689 CZ PHE A 50 30.280 -4.069 11.658 1.00 0.00 C ATOM 0 H PHE A 50 30.934 2.491 9.562 1.00 0.00 H new ATOM 0 HA PHE A 50 30.166 -0.330 8.920 1.00 0.00 H new ATOM 0 HB2 PHE A 50 31.575 0.496 11.194 1.00 0.00 H new ATOM 0 HB3 PHE A 50 29.918 0.679 11.733 1.00 0.00 H new ATOM 0 HD1 PHE A 50 28.355 -1.312 11.613 1.00 0.00 H new ATOM 0 HD2 PHE A 50 32.530 -1.699 10.860 1.00 0.00 H new ATOM 0 HE1 PHE A 50 28.207 -3.729 12.009 1.00 0.00 H new ATOM 0 HE2 PHE A 50 32.374 -4.116 11.256 1.00 0.00 H new ATOM 0 HZ PHE A 50 30.212 -5.133 11.833 1.00 0.00 H new ATOM 699 N CYS A 51 27.775 0.189 9.794 1.00 0.00 N ATOM 700 CA CYS A 51 26.345 0.614 9.854 1.00 0.00 C ATOM 701 C CYS A 51 25.684 0.034 11.095 1.00 0.00 C ATOM 702 O CYS A 51 25.492 -1.162 11.185 1.00 0.00 O ATOM 703 CB CYS A 51 25.626 0.069 8.610 1.00 0.00 C ATOM 704 SG CYS A 51 24.125 0.929 8.070 1.00 0.00 S ATOM 0 H CYS A 51 27.933 -0.814 9.892 1.00 0.00 H new ATOM 0 HA CYS A 51 26.286 1.702 9.890 1.00 0.00 H new ATOM 0 HB2 CYS A 51 26.334 0.076 7.782 1.00 0.00 H new ATOM 0 HB3 CYS A 51 25.367 -0.973 8.800 1.00 0.00 H new ATOM 709 N VAL A 52 25.338 0.883 12.036 1.00 0.00 N ATOM 710 CA VAL A 52 24.688 0.347 13.268 1.00 0.00 C ATOM 711 C VAL A 52 23.179 0.311 13.110 1.00 0.00 C ATOM 712 O VAL A 52 22.472 -0.171 13.974 1.00 0.00 O ATOM 713 CB VAL A 52 25.051 1.239 14.470 1.00 0.00 C ATOM 714 CG1 VAL A 52 26.502 0.968 14.878 1.00 0.00 C ATOM 715 CG2 VAL A 52 24.905 2.705 14.084 1.00 0.00 C ATOM 0 H VAL A 52 25.474 1.893 12.005 1.00 0.00 H new ATOM 0 HA VAL A 52 25.047 -0.669 13.434 1.00 0.00 H new ATOM 0 HB VAL A 52 24.383 1.015 15.302 1.00 0.00 H new ATOM 0 HG11 VAL A 52 26.764 1.597 15.729 1.00 0.00 H new ATOM 0 HG12 VAL A 52 26.612 -0.081 15.154 1.00 0.00 H new ATOM 0 HG13 VAL A 52 27.163 1.194 14.042 1.00 0.00 H new ATOM 0 HG21 VAL A 52 25.163 3.333 14.937 1.00 0.00 H new ATOM 0 HG22 VAL A 52 25.573 2.931 13.252 1.00 0.00 H new ATOM 0 HG23 VAL A 52 23.875 2.902 13.786 1.00 0.00 H new ATOM 725 N ASP A 53 22.705 0.821 12.008 1.00 0.00 N ATOM 726 CA ASP A 53 21.240 0.818 11.787 1.00 0.00 C ATOM 727 C ASP A 53 20.766 -0.601 11.528 1.00 0.00 C ATOM 728 O ASP A 53 21.389 -1.334 10.786 1.00 0.00 O ATOM 729 CB ASP A 53 20.930 1.680 10.562 1.00 0.00 C ATOM 730 CG ASP A 53 19.459 2.101 10.595 1.00 0.00 C ATOM 731 OD1 ASP A 53 18.643 1.209 10.758 1.00 0.00 O ATOM 732 OD2 ASP A 53 19.234 3.293 10.455 1.00 0.00 O ATOM 0 H ASP A 53 23.264 1.234 11.261 1.00 0.00 H new ATOM 0 HA ASP A 53 20.733 1.213 12.667 1.00 0.00 H new ATOM 0 HB2 ASP A 53 21.572 2.561 10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 53 21.140 1.123 9.649 1.00 0.00 H new ATOM 737 N ILE A 54 19.669 -0.959 12.143 1.00 0.00 N ATOM 738 CA ILE A 54 19.132 -2.328 11.953 1.00 0.00 C ATOM 739 C ILE A 54 17.762 -2.325 11.304 1.00 0.00 C ATOM 740 O ILE A 54 17.121 -1.302 11.165 1.00 0.00 O ATOM 741 CB ILE A 54 18.991 -2.987 13.327 1.00 0.00 C ATOM 742 CG1 ILE A 54 18.916 -1.919 14.427 1.00 0.00 C ATOM 743 CG2 ILE A 54 20.225 -3.886 13.578 1.00 0.00 C ATOM 744 CD1 ILE A 54 18.281 -2.518 15.694 1.00 0.00 C ATOM 0 H ILE A 54 19.127 -0.360 12.766 1.00 0.00 H new ATOM 0 HA ILE A 54 19.821 -2.866 11.303 1.00 0.00 H new ATOM 0 HB ILE A 54 18.077 -3.580 13.348 1.00 0.00 H new ATOM 0 HG12 ILE A 54 19.915 -1.545 14.652 1.00 0.00 H new ATOM 0 HG13 ILE A 54 18.328 -1.069 14.082 1.00 0.00 H new ATOM 0 HG21 ILE A 54 20.136 -4.361 14.555 1.00 0.00 H new ATOM 0 HG22 ILE A 54 20.280 -4.652 12.805 1.00 0.00 H new ATOM 0 HG23 ILE A 54 21.129 -3.278 13.551 1.00 0.00 H new ATOM 0 HD11 ILE A 54 18.230 -1.755 16.471 1.00 0.00 H new ATOM 0 HD12 ILE A 54 17.275 -2.870 15.465 1.00 0.00 H new ATOM 0 HD13 ILE A 54 18.887 -3.354 16.045 1.00 0.00 H new ATOM 756 N THR A 55 17.351 -3.495 10.924 1.00 0.00 N ATOM 757 CA THR A 55 16.037 -3.661 10.276 1.00 0.00 C ATOM 758 C THR A 55 15.379 -4.941 10.797 1.00 0.00 C ATOM 759 O THR A 55 15.938 -5.609 11.653 1.00 0.00 O ATOM 760 CB THR A 55 16.264 -3.771 8.760 1.00 0.00 C ATOM 761 OG1 THR A 55 15.113 -4.407 8.243 1.00 0.00 O ATOM 762 CG2 THR A 55 17.413 -4.740 8.453 1.00 0.00 C ATOM 0 H THR A 55 17.883 -4.358 11.039 1.00 0.00 H new ATOM 0 HA THR A 55 15.388 -2.813 10.496 1.00 0.00 H new ATOM 0 HB THR A 55 16.473 -2.783 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.146 -4.398 7.264 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.557 -4.803 7.374 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.329 -4.378 8.921 1.00 0.00 H new ATOM 0 HG23 THR A 55 17.171 -5.728 8.845 1.00 0.00 H new ATOM 770 N ASP A 56 14.216 -5.262 10.280 1.00 0.00 N ATOM 771 CA ASP A 56 13.519 -6.497 10.746 1.00 0.00 C ATOM 772 C ASP A 56 13.462 -7.569 9.656 1.00 0.00 C ATOM 773 O ASP A 56 12.482 -8.278 9.548 1.00 0.00 O ATOM 774 CB ASP A 56 12.080 -6.117 11.127 1.00 0.00 C ATOM 775 CG ASP A 56 12.110 -5.067 12.240 1.00 0.00 C ATOM 776 OD1 ASP A 56 13.176 -4.918 12.815 1.00 0.00 O ATOM 777 OD2 ASP A 56 11.066 -4.472 12.452 1.00 0.00 O ATOM 0 H ASP A 56 13.726 -4.727 9.563 1.00 0.00 H new ATOM 0 HA ASP A 56 14.072 -6.905 11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.553 -5.726 10.257 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.535 -7.000 11.460 1.00 0.00 H new ATOM 782 N PHE A 57 14.505 -7.681 8.867 1.00 0.00 N ATOM 783 CA PHE A 57 14.475 -8.723 7.793 1.00 0.00 C ATOM 784 C PHE A 57 15.729 -8.729 6.913 1.00 0.00 C ATOM 785 O PHE A 57 15.757 -9.392 5.895 1.00 0.00 O ATOM 786 CB PHE A 57 13.277 -8.437 6.894 1.00 0.00 C ATOM 787 CG PHE A 57 13.037 -6.930 6.829 1.00 0.00 C ATOM 788 CD1 PHE A 57 13.905 -6.112 6.127 1.00 0.00 C ATOM 789 CD2 PHE A 57 11.944 -6.362 7.462 1.00 0.00 C ATOM 790 CE1 PHE A 57 13.683 -4.752 6.060 1.00 0.00 C ATOM 791 CE2 PHE A 57 11.725 -5.002 7.394 1.00 0.00 C ATOM 792 CZ PHE A 57 12.594 -4.199 6.693 1.00 0.00 C ATOM 0 H PHE A 57 15.352 -7.114 8.916 1.00 0.00 H new ATOM 0 HA PHE A 57 14.417 -9.694 8.285 1.00 0.00 H new ATOM 0 HB2 PHE A 57 13.457 -8.831 5.894 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.391 -8.941 7.280 1.00 0.00 H new ATOM 0 HD1 PHE A 57 14.762 -6.541 5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 57 11.258 -6.989 8.013 1.00 0.00 H new ATOM 0 HE1 PHE A 57 14.365 -4.121 5.510 1.00 0.00 H new ATOM 0 HE2 PHE A 57 10.871 -4.567 7.892 1.00 0.00 H new ATOM 0 HZ PHE A 57 12.421 -3.134 6.639 1.00 0.00 H new ATOM 802 N CYS A 58 16.738 -8.008 7.300 1.00 0.00 N ATOM 803 CA CYS A 58 17.970 -7.992 6.467 1.00 0.00 C ATOM 804 C CYS A 58 17.640 -7.553 5.047 1.00 0.00 C ATOM 805 O CYS A 58 17.117 -8.316 4.258 1.00 0.00 O ATOM 806 CB CYS A 58 18.563 -9.418 6.418 1.00 0.00 C ATOM 807 SG CYS A 58 20.271 -9.660 6.989 1.00 0.00 S ATOM 0 H CYS A 58 16.766 -7.436 8.144 1.00 0.00 H new ATOM 0 HA CYS A 58 18.685 -7.295 6.904 1.00 0.00 H new ATOM 0 HB2 CYS A 58 17.919 -10.067 7.012 1.00 0.00 H new ATOM 0 HB3 CYS A 58 18.504 -9.767 5.387 1.00 0.00 H new ATOM 812 N TYR A 59 17.935 -6.327 4.753 1.00 0.00 N ATOM 813 CA TYR A 59 17.644 -5.824 3.389 1.00 0.00 C ATOM 814 C TYR A 59 18.123 -6.827 2.349 1.00 0.00 C ATOM 815 O TYR A 59 19.016 -7.608 2.607 1.00 0.00 O ATOM 816 CB TYR A 59 18.377 -4.484 3.179 1.00 0.00 C ATOM 817 CG TYR A 59 17.733 -3.415 4.071 1.00 0.00 C ATOM 818 CD1 TYR A 59 16.420 -3.037 3.870 1.00 0.00 C ATOM 819 CD2 TYR A 59 18.445 -2.828 5.100 1.00 0.00 C ATOM 820 CE1 TYR A 59 15.830 -2.091 4.682 1.00 0.00 C ATOM 821 CE2 TYR A 59 17.853 -1.883 5.913 1.00 0.00 C ATOM 822 CZ TYR A 59 16.540 -1.508 5.710 1.00 0.00 C ATOM 823 OH TYR A 59 15.947 -0.566 6.527 1.00 0.00 O ATOM 0 H TYR A 59 18.361 -5.654 5.390 1.00 0.00 H new ATOM 0 HA TYR A 59 16.569 -5.683 3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.434 -4.591 3.423 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.321 -4.184 2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 59 15.850 -3.486 3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.473 -3.111 5.269 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.803 -1.804 4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.421 -1.433 6.714 1.00 0.00 H new ATOM 0 HH TYR A 59 16.593 -0.262 7.198 1.00 0.00 H new ATOM 833 N GLU A 60 17.522 -6.799 1.190 1.00 0.00 N ATOM 834 CA GLU A 60 17.947 -7.755 0.137 1.00 0.00 C ATOM 835 C GLU A 60 19.392 -7.450 -0.325 1.00 0.00 C ATOM 836 O GLU A 60 19.845 -6.329 -0.211 1.00 0.00 O ATOM 837 CB GLU A 60 17.002 -7.603 -1.066 1.00 0.00 C ATOM 838 CG GLU A 60 15.833 -8.582 -0.916 1.00 0.00 C ATOM 839 CD GLU A 60 14.653 -8.097 -1.763 1.00 0.00 C ATOM 840 OE1 GLU A 60 14.184 -7.012 -1.466 1.00 0.00 O ATOM 841 OE2 GLU A 60 14.289 -8.841 -2.659 1.00 0.00 O ATOM 0 H GLU A 60 16.766 -6.164 0.932 1.00 0.00 H new ATOM 0 HA GLU A 60 17.912 -8.768 0.538 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.630 -6.580 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 60 17.540 -7.800 -1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 60 16.137 -9.580 -1.233 1.00 0.00 H new ATOM 0 HG3 GLU A 60 15.538 -8.656 0.131 1.00 0.00 H new ATOM 848 N PRO A 61 20.099 -8.460 -0.841 1.00 0.00 N ATOM 849 CA PRO A 61 21.479 -8.266 -1.309 1.00 0.00 C ATOM 850 C PRO A 61 21.536 -7.317 -2.505 1.00 0.00 C ATOM 851 O PRO A 61 20.681 -7.353 -3.367 1.00 0.00 O ATOM 852 CB PRO A 61 21.942 -9.666 -1.766 1.00 0.00 C ATOM 853 CG PRO A 61 20.708 -10.610 -1.697 1.00 0.00 C ATOM 854 CD PRO A 61 19.585 -9.840 -0.987 1.00 0.00 C ATOM 0 HA PRO A 61 22.100 -7.835 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO A 61 22.339 -9.627 -2.780 1.00 0.00 H new ATOM 0 HB3 PRO A 61 22.743 -10.034 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 61 20.396 -10.909 -2.698 1.00 0.00 H new ATOM 0 HG3 PRO A 61 20.952 -11.523 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 61 18.664 -9.858 -1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 61 19.357 -10.281 -0.017 1.00 0.00 H new ATOM 862 N CYS A 62 22.540 -6.485 -2.536 1.00 0.00 N ATOM 863 CA CYS A 62 22.658 -5.537 -3.669 1.00 0.00 C ATOM 864 C CYS A 62 23.247 -6.242 -4.853 1.00 0.00 C ATOM 865 O CYS A 62 23.423 -5.687 -5.920 1.00 0.00 O ATOM 866 CB CYS A 62 23.591 -4.407 -3.264 1.00 0.00 C ATOM 867 SG CYS A 62 23.158 -2.736 -3.810 1.00 0.00 S ATOM 0 H CYS A 62 23.275 -6.423 -1.832 1.00 0.00 H new ATOM 0 HA CYS A 62 21.673 -5.147 -3.925 1.00 0.00 H new ATOM 0 HB2 CYS A 62 23.659 -4.399 -2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 62 24.586 -4.639 -3.644 1.00 0.00 H new