USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 325 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 195 ASN : amide:sc= 0.91 K(o=0.81,f=-0.62!) USER MOD Set 1.2: A 202 THR OG1 : rot 130:sc= -0.104 USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= -0.0291 X(o=-0.029,f=-0.3) USER MOD Single : A 198 ASN : amide:sc= -0.239 K(o=-0.24,f=-2.5!) USER MOD Single : A 203 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 ASN : amide:sc=-0.00297 X(o=-0.003,f=0) USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 218 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 219 THR OG1 : rot 180:sc= 0 USER MOD Single : A 220 SER OG : rot 78:sc= 0.221 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 225 HIS : no HD1:sc= -10.7! C(o=-11!,f=-22!) USER MOD Single : A 229 LYS NZ :NH3+ 145:sc= -0.142 (180deg=-1.37!) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ -171:sc= -2.71 (180deg=-3.21!) USER MOD Single : A 233 GLN : amide:sc= -2.36! C(o=-2.4!,f=-4.6!) USER MOD Single : A 235 THR OG1 : rot 32:sc= -0.0556 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 -4.700 -20.543 -12.419 1.00 0.00 N ATOM 19 CA CYS A 189 -3.918 -19.277 -12.404 1.00 0.00 C ATOM 20 C CYS A 189 -4.606 -18.240 -13.295 1.00 0.00 C ATOM 21 O CYS A 189 -5.361 -18.576 -14.187 1.00 0.00 O ATOM 22 CB CYS A 189 -2.508 -19.555 -12.925 1.00 0.00 C ATOM 23 SG CYS A 189 -1.645 -20.658 -11.774 1.00 0.00 S ATOM 0 HA CYS A 189 -3.861 -18.890 -11.387 1.00 0.00 H new ATOM 0 HB2 CYS A 189 -2.557 -20.011 -13.914 1.00 0.00 H new ATOM 0 HB3 CYS A 189 -1.957 -18.620 -13.032 1.00 0.00 H new ATOM 28 N ALA A 190 -4.352 -16.982 -13.061 1.00 0.00 N ATOM 29 CA ALA A 190 -4.991 -15.923 -13.894 1.00 0.00 C ATOM 30 C ALA A 190 -4.198 -14.625 -13.752 1.00 0.00 C ATOM 31 O ALA A 190 -3.454 -14.241 -14.633 1.00 0.00 O ATOM 32 CB ALA A 190 -6.425 -15.696 -13.413 1.00 0.00 C ATOM 0 H ALA A 190 -3.729 -16.641 -12.329 1.00 0.00 H new ATOM 0 HA ALA A 190 -5.002 -16.234 -14.939 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -6.894 -14.922 -14.020 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -6.991 -16.623 -13.506 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -6.413 -15.381 -12.370 1.00 0.00 H new ATOM 38 N SER A 191 -4.343 -13.954 -12.643 1.00 0.00 N ATOM 39 CA SER A 191 -3.587 -12.689 -12.432 1.00 0.00 C ATOM 40 C SER A 191 -2.203 -13.032 -11.886 1.00 0.00 C ATOM 41 O SER A 191 -1.435 -12.166 -11.516 1.00 0.00 O ATOM 42 CB SER A 191 -4.328 -11.808 -11.428 1.00 0.00 C ATOM 43 OG SER A 191 -5.558 -11.377 -11.997 1.00 0.00 O ATOM 0 H SER A 191 -4.953 -14.228 -11.873 1.00 0.00 H new ATOM 0 HA SER A 191 -3.494 -12.151 -13.376 1.00 0.00 H new ATOM 0 HB2 SER A 191 -4.514 -12.363 -10.508 1.00 0.00 H new ATOM 0 HB3 SER A 191 -3.716 -10.946 -11.162 1.00 0.00 H new ATOM 0 HG SER A 191 -6.036 -10.813 -11.354 1.00 0.00 H new ATOM 49 N CYS A 192 -1.889 -14.297 -11.827 1.00 0.00 N ATOM 50 CA CYS A 192 -0.562 -14.722 -11.300 1.00 0.00 C ATOM 51 C CYS A 192 0.220 -15.429 -12.413 1.00 0.00 C ATOM 52 O CYS A 192 0.204 -16.637 -12.521 1.00 0.00 O ATOM 53 CB CYS A 192 -0.776 -15.688 -10.128 1.00 0.00 C ATOM 54 SG CYS A 192 -0.215 -14.919 -8.586 1.00 0.00 S ATOM 0 H CYS A 192 -2.499 -15.059 -12.123 1.00 0.00 H new ATOM 0 HA CYS A 192 -0.000 -13.852 -10.959 1.00 0.00 H new ATOM 0 HB2 CYS A 192 -1.831 -15.952 -10.050 1.00 0.00 H new ATOM 0 HB3 CYS A 192 -0.228 -16.614 -10.303 1.00 0.00 H new ATOM 59 N PRO A 193 0.893 -14.673 -13.242 1.00 0.00 N ATOM 60 CA PRO A 193 1.691 -15.226 -14.373 1.00 0.00 C ATOM 61 C PRO A 193 2.516 -16.444 -13.958 1.00 0.00 C ATOM 62 O PRO A 193 3.703 -16.353 -13.712 1.00 0.00 O ATOM 63 CB PRO A 193 2.596 -14.062 -14.772 1.00 0.00 C ATOM 64 CG PRO A 193 1.829 -12.836 -14.403 1.00 0.00 C ATOM 65 CD PRO A 193 0.973 -13.205 -13.188 1.00 0.00 C ATOM 0 HA PRO A 193 1.059 -15.582 -15.187 1.00 0.00 H new ATOM 0 HB2 PRO A 193 3.550 -14.105 -14.246 1.00 0.00 H new ATOM 0 HB3 PRO A 193 2.819 -14.082 -15.839 1.00 0.00 H new ATOM 0 HG2 PRO A 193 2.504 -12.013 -14.166 1.00 0.00 H new ATOM 0 HG3 PRO A 193 1.203 -12.506 -15.232 1.00 0.00 H new ATOM 0 HD2 PRO A 193 1.430 -12.864 -12.259 1.00 0.00 H new ATOM 0 HD3 PRO A 193 -0.016 -12.749 -13.243 1.00 0.00 H new ATOM 73 N ASN A 194 1.885 -17.583 -13.874 1.00 0.00 N ATOM 74 CA ASN A 194 2.607 -18.823 -13.471 1.00 0.00 C ATOM 75 C ASN A 194 3.125 -18.661 -12.040 1.00 0.00 C ATOM 76 O ASN A 194 4.189 -19.134 -11.695 1.00 0.00 O ATOM 77 CB ASN A 194 3.777 -19.073 -14.426 1.00 0.00 C ATOM 78 CG ASN A 194 3.273 -19.033 -15.871 1.00 0.00 C ATOM 79 OD1 ASN A 194 2.218 -19.557 -16.173 1.00 0.00 O ATOM 80 ND2 ASN A 194 3.986 -18.429 -16.781 1.00 0.00 N ATOM 0 H ASN A 194 0.892 -17.709 -14.069 1.00 0.00 H new ATOM 0 HA ASN A 194 1.928 -19.674 -13.516 1.00 0.00 H new ATOM 0 HB2 ASN A 194 4.549 -18.318 -14.278 1.00 0.00 H new ATOM 0 HB3 ASN A 194 4.232 -20.041 -14.215 1.00 0.00 H new ATOM 0 HD21 ASN A 194 3.659 -18.396 -17.747 1.00 0.00 H new ATOM 0 HD22 ASN A 194 4.871 -17.990 -16.527 1.00 0.00 H new ATOM 87 N ASN A 195 2.370 -17.998 -11.204 1.00 0.00 N ATOM 88 CA ASN A 195 2.799 -17.805 -9.789 1.00 0.00 C ATOM 89 C ASN A 195 1.684 -18.280 -8.853 1.00 0.00 C ATOM 90 O ASN A 195 1.121 -17.508 -8.101 1.00 0.00 O ATOM 91 CB ASN A 195 3.077 -16.320 -9.535 1.00 0.00 C ATOM 92 CG ASN A 195 3.627 -16.136 -8.119 1.00 0.00 C ATOM 93 OD1 ASN A 195 2.935 -15.657 -7.242 1.00 0.00 O ATOM 94 ND2 ASN A 195 4.853 -16.499 -7.854 1.00 0.00 N ATOM 0 H ASN A 195 1.471 -17.580 -11.442 1.00 0.00 H new ATOM 0 HA ASN A 195 3.706 -18.381 -9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 195 3.793 -15.943 -10.266 1.00 0.00 H new ATOM 0 HB3 ASN A 195 2.161 -15.742 -9.658 1.00 0.00 H new ATOM 0 HD21 ASN A 195 5.228 -16.380 -6.913 1.00 0.00 H new ATOM 0 HD22 ASN A 195 5.436 -16.901 -8.588 1.00 0.00 H new ATOM 101 N CYS A 196 1.356 -19.546 -8.894 1.00 0.00 N ATOM 102 CA CYS A 196 0.274 -20.063 -8.008 1.00 0.00 C ATOM 103 C CYS A 196 0.854 -21.089 -7.029 1.00 0.00 C ATOM 104 O CYS A 196 1.846 -21.736 -7.304 1.00 0.00 O ATOM 105 CB CYS A 196 -0.811 -20.734 -8.858 1.00 0.00 C ATOM 106 SG CYS A 196 -1.438 -19.560 -10.089 1.00 0.00 S ATOM 0 H CYS A 196 1.790 -20.241 -9.501 1.00 0.00 H new ATOM 0 HA CYS A 196 -0.159 -19.232 -7.451 1.00 0.00 H new ATOM 0 HB2 CYS A 196 -0.404 -21.614 -9.355 1.00 0.00 H new ATOM 0 HB3 CYS A 196 -1.626 -21.077 -8.220 1.00 0.00 H new ATOM 111 N GLU A 197 0.232 -21.250 -5.894 1.00 0.00 N ATOM 112 CA GLU A 197 0.726 -22.240 -4.894 1.00 0.00 C ATOM 113 C GLU A 197 -0.438 -22.662 -3.999 1.00 0.00 C ATOM 114 O GLU A 197 -0.901 -21.903 -3.172 1.00 0.00 O ATOM 115 CB GLU A 197 1.826 -21.610 -4.034 1.00 0.00 C ATOM 116 CG GLU A 197 2.405 -22.673 -3.098 1.00 0.00 C ATOM 117 CD GLU A 197 3.462 -22.041 -2.192 1.00 0.00 C ATOM 118 OE1 GLU A 197 3.655 -20.840 -2.287 1.00 0.00 O ATOM 119 OE2 GLU A 197 4.058 -22.769 -1.416 1.00 0.00 O ATOM 0 H GLU A 197 -0.603 -20.735 -5.614 1.00 0.00 H new ATOM 0 HA GLU A 197 1.134 -23.108 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 197 2.612 -21.201 -4.670 1.00 0.00 H new ATOM 0 HB3 GLU A 197 1.421 -20.780 -3.455 1.00 0.00 H new ATOM 0 HG2 GLU A 197 1.610 -23.112 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 197 2.847 -23.482 -3.680 1.00 0.00 H new ATOM 127 N ASN A 198 -0.921 -23.862 -4.160 1.00 0.00 N ATOM 128 CA ASN A 198 -2.061 -24.315 -3.317 1.00 0.00 C ATOM 129 C ASN A 198 -3.218 -23.331 -3.488 1.00 0.00 C ATOM 130 O ASN A 198 -3.977 -23.078 -2.572 1.00 0.00 O ATOM 131 CB ASN A 198 -1.629 -24.346 -1.850 1.00 0.00 C ATOM 132 CG ASN A 198 -2.626 -25.175 -1.040 1.00 0.00 C ATOM 133 OD1 ASN A 198 -3.533 -25.764 -1.591 1.00 0.00 O ATOM 134 ND2 ASN A 198 -2.496 -25.242 0.257 1.00 0.00 N ATOM 0 H ASN A 198 -0.578 -24.545 -4.835 1.00 0.00 H new ATOM 0 HA ASN A 198 -2.375 -25.314 -3.619 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -0.630 -24.773 -1.763 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -1.577 -23.332 -1.454 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -3.157 -25.790 0.808 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -1.734 -24.747 0.719 1.00 0.00 H new ATOM 141 N GLY A 199 -3.352 -22.767 -4.657 1.00 0.00 N ATOM 142 CA GLY A 199 -4.452 -21.791 -4.898 1.00 0.00 C ATOM 143 C GLY A 199 -4.048 -20.435 -4.318 1.00 0.00 C ATOM 144 O GLY A 199 -4.791 -19.475 -4.374 1.00 0.00 O ATOM 0 H GLY A 199 -2.745 -22.941 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 199 -4.648 -21.701 -5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 199 -5.374 -22.140 -4.433 1.00 0.00 H new ATOM 148 N LEU A 200 -2.874 -20.354 -3.755 1.00 0.00 N ATOM 149 CA LEU A 200 -2.412 -19.071 -3.160 1.00 0.00 C ATOM 150 C LEU A 200 -1.269 -18.494 -3.998 1.00 0.00 C ATOM 151 O LEU A 200 -0.418 -19.213 -4.485 1.00 0.00 O ATOM 152 CB LEU A 200 -1.912 -19.335 -1.737 1.00 0.00 C ATOM 153 CG LEU A 200 -3.015 -20.015 -0.921 1.00 0.00 C ATOM 154 CD1 LEU A 200 -2.521 -20.262 0.504 1.00 0.00 C ATOM 155 CD2 LEU A 200 -4.248 -19.112 -0.876 1.00 0.00 C ATOM 0 H LEU A 200 -2.212 -21.127 -3.682 1.00 0.00 H new ATOM 0 HA LEU A 200 -3.237 -18.359 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -1.024 -19.967 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -1.621 -18.397 -1.263 1.00 0.00 H new ATOM 0 HG LEU A 200 -3.273 -20.965 -1.388 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -3.308 -20.746 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -1.642 -20.905 0.478 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -2.261 -19.311 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -5.033 -19.596 -0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -3.986 -18.162 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -4.605 -18.933 -1.890 1.00 0.00 H new ATOM 167 N CYS A 201 -1.235 -17.199 -4.159 1.00 0.00 N ATOM 168 CA CYS A 201 -0.139 -16.573 -4.952 1.00 0.00 C ATOM 169 C CYS A 201 1.022 -16.246 -4.012 1.00 0.00 C ATOM 170 O CYS A 201 0.826 -15.978 -2.843 1.00 0.00 O ATOM 171 CB CYS A 201 -0.649 -15.281 -5.602 1.00 0.00 C ATOM 172 SG CYS A 201 -1.461 -15.666 -7.178 1.00 0.00 S ATOM 0 H CYS A 201 -1.919 -16.547 -3.775 1.00 0.00 H new ATOM 0 HA CYS A 201 0.194 -17.259 -5.731 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -1.349 -14.779 -4.934 1.00 0.00 H new ATOM 0 HB3 CYS A 201 0.181 -14.594 -5.768 1.00 0.00 H new ATOM 177 N THR A 202 2.230 -16.264 -4.505 1.00 0.00 N ATOM 178 CA THR A 202 3.391 -15.949 -3.626 1.00 0.00 C ATOM 179 C THR A 202 3.548 -14.430 -3.537 1.00 0.00 C ATOM 180 O THR A 202 4.384 -13.922 -2.817 1.00 0.00 O ATOM 181 CB THR A 202 4.661 -16.567 -4.214 1.00 0.00 C ATOM 182 OG1 THR A 202 4.960 -15.941 -5.454 1.00 0.00 O ATOM 183 CG2 THR A 202 4.450 -18.067 -4.436 1.00 0.00 C ATOM 0 H THR A 202 2.463 -16.482 -5.474 1.00 0.00 H new ATOM 0 HA THR A 202 3.224 -16.360 -2.630 1.00 0.00 H new ATOM 0 HB THR A 202 5.489 -16.419 -3.521 1.00 0.00 H new ATOM 0 HG1 THR A 202 5.899 -15.660 -5.461 1.00 0.00 H new ATOM 0 HG21 THR A 202 5.357 -18.504 -4.855 1.00 0.00 H new ATOM 0 HG22 THR A 202 4.222 -18.547 -3.484 1.00 0.00 H new ATOM 0 HG23 THR A 202 3.621 -18.219 -5.127 1.00 0.00 H new ATOM 191 N ASN A 203 2.741 -13.704 -4.260 1.00 0.00 N ATOM 192 CA ASN A 203 2.826 -12.218 -4.223 1.00 0.00 C ATOM 193 C ASN A 203 1.421 -11.626 -4.363 1.00 0.00 C ATOM 194 O ASN A 203 0.931 -11.420 -5.456 1.00 0.00 O ATOM 195 CB ASN A 203 3.702 -11.726 -5.374 1.00 0.00 C ATOM 196 CG ASN A 203 3.732 -10.198 -5.368 1.00 0.00 C ATOM 197 OD1 ASN A 203 4.314 -9.592 -4.490 1.00 0.00 O ATOM 198 ND2 ASN A 203 3.121 -9.546 -6.318 1.00 0.00 N ATOM 0 H ASN A 203 2.022 -14.079 -4.879 1.00 0.00 H new ATOM 0 HA ASN A 203 3.263 -11.903 -3.276 1.00 0.00 H new ATOM 0 HB2 ASN A 203 4.713 -12.121 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 203 3.312 -12.090 -6.325 1.00 0.00 H new ATOM 0 HD21 ASN A 203 3.131 -8.526 -6.325 1.00 0.00 H new ATOM 0 HD22 ASN A 203 2.633 -10.056 -7.054 1.00 0.00 H new ATOM 239 N PHE A 207 2.380 -3.077 -5.460 1.00 0.00 N ATOM 240 CA PHE A 207 2.170 -1.691 -5.966 1.00 0.00 C ATOM 241 C PHE A 207 2.660 -0.711 -4.916 1.00 0.00 C ATOM 242 O PHE A 207 2.847 -1.057 -3.767 1.00 0.00 O ATOM 243 CB PHE A 207 0.687 -1.409 -6.183 1.00 0.00 C ATOM 244 CG PHE A 207 -0.003 -2.641 -6.676 1.00 0.00 C ATOM 245 CD1 PHE A 207 0.273 -3.135 -7.950 1.00 0.00 C ATOM 246 CD2 PHE A 207 -0.926 -3.286 -5.855 1.00 0.00 C ATOM 247 CE1 PHE A 207 -0.380 -4.282 -8.409 1.00 0.00 C ATOM 248 CE2 PHE A 207 -1.582 -4.432 -6.310 1.00 0.00 C ATOM 249 CZ PHE A 207 -1.309 -4.933 -7.587 1.00 0.00 C ATOM 0 HA PHE A 207 2.709 -1.586 -6.908 1.00 0.00 H new ATOM 0 HB2 PHE A 207 0.232 -1.076 -5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 207 0.564 -0.601 -6.904 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.990 -2.632 -8.581 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.134 -2.900 -4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -0.169 -4.666 -9.396 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.300 -4.931 -5.676 1.00 0.00 H new ATOM 0 HZ PHE A 207 -1.814 -5.821 -7.939 1.00 0.00 H new ATOM 259 N GLU A 208 2.840 0.515 -5.295 1.00 0.00 N ATOM 260 CA GLU A 208 3.283 1.526 -4.313 1.00 0.00 C ATOM 261 C GLU A 208 2.425 2.777 -4.489 1.00 0.00 C ATOM 262 O GLU A 208 2.090 3.158 -5.594 1.00 0.00 O ATOM 263 CB GLU A 208 4.755 1.854 -4.537 1.00 0.00 C ATOM 264 CG GLU A 208 5.241 2.778 -3.422 1.00 0.00 C ATOM 265 CD GLU A 208 6.680 3.203 -3.710 1.00 0.00 C ATOM 266 OE1 GLU A 208 7.257 3.878 -2.873 1.00 0.00 O ATOM 267 OE2 GLU A 208 7.180 2.845 -4.762 1.00 0.00 O ATOM 0 H GLU A 208 2.699 0.860 -6.244 1.00 0.00 H new ATOM 0 HA GLU A 208 3.169 1.143 -3.299 1.00 0.00 H new ATOM 0 HB2 GLU A 208 5.346 0.938 -4.550 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.889 2.333 -5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.597 3.655 -3.354 1.00 0.00 H new ATOM 0 HG3 GLU A 208 5.186 2.267 -2.461 1.00 0.00 H new ATOM 275 N ASP A 209 2.050 3.409 -3.415 1.00 0.00 N ATOM 276 CA ASP A 209 1.199 4.621 -3.535 1.00 0.00 C ATOM 277 C ASP A 209 1.964 5.699 -4.291 1.00 0.00 C ATOM 278 O ASP A 209 2.939 6.241 -3.811 1.00 0.00 O ATOM 279 CB ASP A 209 0.839 5.130 -2.141 1.00 0.00 C ATOM 280 CG ASP A 209 -0.036 4.094 -1.440 1.00 0.00 C ATOM 281 OD1 ASP A 209 -0.542 3.220 -2.123 1.00 0.00 O ATOM 282 OD2 ASP A 209 -0.185 4.190 -0.234 1.00 0.00 O ATOM 0 H ASP A 209 2.295 3.140 -2.462 1.00 0.00 H new ATOM 0 HA ASP A 209 0.285 4.376 -4.076 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.744 5.311 -1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.311 6.081 -2.213 1.00 0.00 H new ATOM 288 N LEU A 210 1.522 6.016 -5.471 1.00 0.00 N ATOM 289 CA LEU A 210 2.207 7.060 -6.271 1.00 0.00 C ATOM 290 C LEU A 210 2.096 8.406 -5.553 1.00 0.00 C ATOM 291 O LEU A 210 2.927 9.278 -5.716 1.00 0.00 O ATOM 292 CB LEU A 210 1.556 7.131 -7.647 1.00 0.00 C ATOM 293 CG LEU A 210 2.306 6.203 -8.599 1.00 0.00 C ATOM 294 CD1 LEU A 210 2.349 4.793 -8.008 1.00 0.00 C ATOM 295 CD2 LEU A 210 1.587 6.170 -9.949 1.00 0.00 C ATOM 0 H LEU A 210 0.709 5.593 -5.919 1.00 0.00 H new ATOM 0 HA LEU A 210 3.263 6.816 -6.387 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.508 6.838 -7.583 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.579 8.154 -8.022 1.00 0.00 H new ATOM 0 HG LEU A 210 3.323 6.569 -8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 210 2.884 4.130 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 210 2.861 4.817 -7.046 1.00 0.00 H new ATOM 0 HD13 LEU A 210 1.332 4.426 -7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 210 2.122 5.508 -10.630 1.00 0.00 H new ATOM 0 HD22 LEU A 210 0.570 5.804 -9.811 1.00 0.00 H new ATOM 0 HD23 LEU A 210 1.557 7.175 -10.370 1.00 0.00 H new ATOM 307 N LEU A 211 1.079 8.575 -4.751 1.00 0.00 N ATOM 308 CA LEU A 211 0.918 9.857 -4.006 1.00 0.00 C ATOM 309 C LEU A 211 1.154 9.601 -2.516 1.00 0.00 C ATOM 310 O LEU A 211 0.820 8.553 -2.001 1.00 0.00 O ATOM 311 CB LEU A 211 -0.498 10.404 -4.207 1.00 0.00 C ATOM 312 CG LEU A 211 -0.789 10.557 -5.701 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.129 11.267 -5.887 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.318 11.385 -6.357 1.00 0.00 C ATOM 0 H LEU A 211 0.352 7.880 -4.580 1.00 0.00 H new ATOM 0 HA LEU A 211 1.638 10.585 -4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.225 9.731 -3.753 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.600 11.367 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.829 9.571 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.338 11.377 -6.951 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.920 10.679 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.087 12.252 -5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.109 11.493 -7.421 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.359 12.371 -5.893 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.276 10.882 -6.224 1.00 0.00 H new ATOM 326 N SER A 212 1.725 10.542 -1.818 1.00 0.00 N ATOM 327 CA SER A 212 1.977 10.334 -0.363 1.00 0.00 C ATOM 328 C SER A 212 0.711 10.667 0.430 1.00 0.00 C ATOM 329 O SER A 212 0.681 10.566 1.639 1.00 0.00 O ATOM 330 CB SER A 212 3.127 11.232 0.097 1.00 0.00 C ATOM 331 OG SER A 212 2.675 12.577 0.184 1.00 0.00 O ATOM 0 H SER A 212 2.027 11.443 -2.189 1.00 0.00 H new ATOM 0 HA SER A 212 2.247 9.292 -0.190 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.497 10.898 1.066 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.959 11.162 -0.603 1.00 0.00 H new ATOM 0 HG SER A 212 3.412 13.151 0.480 1.00 0.00 H new ATOM 337 N ASN A 213 -0.333 11.061 -0.243 1.00 0.00 N ATOM 338 CA ASN A 213 -1.596 11.398 0.467 1.00 0.00 C ATOM 339 C ASN A 213 -2.671 10.362 0.127 1.00 0.00 C ATOM 340 O ASN A 213 -3.846 10.581 0.331 1.00 0.00 O ATOM 341 CB ASN A 213 -2.057 12.787 0.030 1.00 0.00 C ATOM 342 CG ASN A 213 -1.080 13.834 0.564 1.00 0.00 C ATOM 343 OD1 ASN A 213 -0.420 14.514 -0.198 1.00 0.00 O ATOM 344 ND2 ASN A 213 -0.958 13.993 1.853 1.00 0.00 N ATOM 0 H ASN A 213 -0.365 11.164 -1.257 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.427 11.391 1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.107 12.841 -1.058 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -3.061 12.985 0.406 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -0.309 14.688 2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -1.512 13.422 2.492 1.00 0.00 H new ATOM 351 N CYS A 214 -2.277 9.233 -0.394 1.00 0.00 N ATOM 352 CA CYS A 214 -3.283 8.193 -0.749 1.00 0.00 C ATOM 353 C CYS A 214 -4.169 7.898 0.454 1.00 0.00 C ATOM 354 O CYS A 214 -5.373 7.783 0.332 1.00 0.00 O ATOM 355 CB CYS A 214 -2.569 6.916 -1.182 1.00 0.00 C ATOM 356 SG CYS A 214 -2.198 7.021 -2.946 1.00 0.00 S ATOM 0 H CYS A 214 -1.307 8.986 -0.589 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.901 8.559 -1.569 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.650 6.786 -0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.195 6.047 -0.980 1.00 0.00 H new ATOM 361 N GLU A 215 -3.598 7.788 1.618 1.00 0.00 N ATOM 362 CA GLU A 215 -4.437 7.521 2.812 1.00 0.00 C ATOM 363 C GLU A 215 -5.456 8.652 2.924 1.00 0.00 C ATOM 364 O GLU A 215 -6.601 8.448 3.277 1.00 0.00 O ATOM 365 CB GLU A 215 -3.553 7.482 4.060 1.00 0.00 C ATOM 366 CG GLU A 215 -4.393 7.066 5.269 1.00 0.00 C ATOM 367 CD GLU A 215 -3.551 7.195 6.540 1.00 0.00 C ATOM 368 OE1 GLU A 215 -4.051 6.851 7.598 1.00 0.00 O ATOM 369 OE2 GLU A 215 -2.419 7.642 6.435 1.00 0.00 O ATOM 0 H GLU A 215 -2.596 7.871 1.792 1.00 0.00 H new ATOM 0 HA GLU A 215 -4.947 6.562 2.722 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.732 6.779 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.107 8.461 4.233 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.281 7.694 5.342 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -4.738 6.039 5.150 1.00 0.00 H new ATOM 377 N SER A 216 -5.043 9.848 2.601 1.00 0.00 N ATOM 378 CA SER A 216 -5.973 11.007 2.656 1.00 0.00 C ATOM 379 C SER A 216 -7.028 10.873 1.552 1.00 0.00 C ATOM 380 O SER A 216 -8.187 11.177 1.746 1.00 0.00 O ATOM 381 CB SER A 216 -5.177 12.297 2.448 1.00 0.00 C ATOM 382 OG SER A 216 -4.277 12.475 3.535 1.00 0.00 O ATOM 0 H SER A 216 -4.094 10.071 2.300 1.00 0.00 H new ATOM 0 HA SER A 216 -6.470 11.033 3.626 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.626 12.250 1.509 1.00 0.00 H new ATOM 0 HB3 SER A 216 -5.854 13.148 2.378 1.00 0.00 H new ATOM 0 HG SER A 216 -3.764 13.300 3.404 1.00 0.00 H new ATOM 388 N LEU A 217 -6.628 10.425 0.388 1.00 0.00 N ATOM 389 CA LEU A 217 -7.600 10.278 -0.735 1.00 0.00 C ATOM 390 C LEU A 217 -8.612 9.176 -0.413 1.00 0.00 C ATOM 391 O LEU A 217 -9.774 9.273 -0.754 1.00 0.00 O ATOM 392 CB LEU A 217 -6.848 9.916 -2.018 1.00 0.00 C ATOM 393 CG LEU A 217 -5.804 10.993 -2.330 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.150 10.691 -3.680 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.478 12.365 -2.387 1.00 0.00 C ATOM 0 H LEU A 217 -5.669 10.155 0.168 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.129 11.221 -0.872 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.361 8.947 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.549 9.825 -2.848 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.045 10.997 -1.548 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.407 11.456 -3.904 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.665 9.716 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -5.911 10.686 -4.460 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -5.732 13.128 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.239 12.364 -3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -6.944 12.582 -1.426 1.00 0.00 H new ATOM 407 N LYS A 218 -8.188 8.127 0.237 1.00 0.00 N ATOM 408 CA LYS A 218 -9.141 7.030 0.569 1.00 0.00 C ATOM 409 C LYS A 218 -10.293 7.618 1.386 1.00 0.00 C ATOM 410 O LYS A 218 -11.451 7.345 1.143 1.00 0.00 O ATOM 411 CB LYS A 218 -8.419 5.966 1.402 1.00 0.00 C ATOM 412 CG LYS A 218 -9.205 4.647 1.378 1.00 0.00 C ATOM 413 CD LYS A 218 -10.271 4.637 2.481 1.00 0.00 C ATOM 414 CE LYS A 218 -9.607 4.822 3.847 1.00 0.00 C ATOM 415 NZ LYS A 218 -10.272 3.940 4.847 1.00 0.00 N ATOM 0 H LYS A 218 -7.228 7.982 0.551 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.523 6.575 -0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.415 5.806 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.308 6.312 2.429 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.679 4.517 0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -8.523 3.808 1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -10.994 5.434 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -10.821 3.696 2.459 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -8.546 4.581 3.783 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -9.679 5.864 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -9.821 4.066 5.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -11.279 4.190 4.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -10.181 2.948 4.550 1.00 0.00 H new ATOM 429 N THR A 219 -9.969 8.431 2.350 1.00 0.00 N ATOM 430 CA THR A 219 -11.015 9.063 3.203 1.00 0.00 C ATOM 431 C THR A 219 -11.878 10.009 2.360 1.00 0.00 C ATOM 432 O THR A 219 -13.049 10.197 2.622 1.00 0.00 O ATOM 433 CB THR A 219 -10.327 9.852 4.320 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.471 8.981 5.047 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.375 10.444 5.264 1.00 0.00 C ATOM 0 H THR A 219 -9.011 8.689 2.587 1.00 0.00 H new ATOM 0 HA THR A 219 -11.656 8.292 3.630 1.00 0.00 H new ATOM 0 HB THR A 219 -9.744 10.663 3.883 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.026 9.482 5.763 1.00 0.00 H new ATOM 0 HG21 THR A 219 -10.877 11.004 6.056 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.032 11.111 4.706 1.00 0.00 H new ATOM 0 HG23 THR A 219 -11.964 9.639 5.704 1.00 0.00 H new ATOM 443 N SER A 220 -11.303 10.624 1.361 1.00 0.00 N ATOM 444 CA SER A 220 -12.092 11.574 0.522 1.00 0.00 C ATOM 445 C SER A 220 -12.678 10.852 -0.696 1.00 0.00 C ATOM 446 O SER A 220 -13.824 11.048 -1.047 1.00 0.00 O ATOM 447 CB SER A 220 -11.179 12.706 0.057 1.00 0.00 C ATOM 448 OG SER A 220 -10.471 13.224 1.175 1.00 0.00 O ATOM 0 H SER A 220 -10.326 10.511 1.090 1.00 0.00 H new ATOM 0 HA SER A 220 -12.913 11.978 1.115 1.00 0.00 H new ATOM 0 HB2 SER A 220 -10.479 12.340 -0.694 1.00 0.00 H new ATOM 0 HB3 SER A 220 -11.767 13.494 -0.413 1.00 0.00 H new ATOM 0 HG SER A 220 -9.736 12.619 1.406 1.00 0.00 H new ATOM 454 N ALA A 221 -11.907 10.027 -1.352 1.00 0.00 N ATOM 455 CA ALA A 221 -12.442 9.309 -2.548 1.00 0.00 C ATOM 456 C ALA A 221 -12.864 7.891 -2.158 1.00 0.00 C ATOM 457 O ALA A 221 -14.026 7.543 -2.216 1.00 0.00 O ATOM 458 CB ALA A 221 -11.363 9.242 -3.633 1.00 0.00 C ATOM 0 H ALA A 221 -10.937 9.819 -1.115 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.308 9.849 -2.930 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.755 8.718 -4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.071 10.253 -3.918 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.494 8.708 -3.249 1.00 0.00 H new ATOM 464 N GLY A 222 -11.929 7.068 -1.763 1.00 0.00 N ATOM 465 CA GLY A 222 -12.276 5.670 -1.371 1.00 0.00 C ATOM 466 C GLY A 222 -11.561 4.683 -2.300 1.00 0.00 C ATOM 467 O GLY A 222 -11.313 4.969 -3.454 1.00 0.00 O ATOM 0 H GLY A 222 -10.939 7.304 -1.695 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -11.984 5.488 -0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.354 5.523 -1.428 1.00 0.00 H new ATOM 471 N CYS A 223 -11.221 3.524 -1.799 1.00 0.00 N ATOM 472 CA CYS A 223 -10.510 2.514 -2.642 1.00 0.00 C ATOM 473 C CYS A 223 -11.357 2.124 -3.852 1.00 0.00 C ATOM 474 O CYS A 223 -10.842 1.880 -4.925 1.00 0.00 O ATOM 475 CB CYS A 223 -10.235 1.264 -1.806 1.00 0.00 C ATOM 476 SG CYS A 223 -8.992 1.643 -0.550 1.00 0.00 S ATOM 0 H CYS A 223 -11.405 3.232 -0.839 1.00 0.00 H new ATOM 0 HA CYS A 223 -9.575 2.951 -2.992 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -11.154 0.921 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.886 0.454 -2.447 1.00 0.00 H new ATOM 481 N LYS A 224 -12.645 2.053 -3.697 1.00 0.00 N ATOM 482 CA LYS A 224 -13.505 1.669 -4.850 1.00 0.00 C ATOM 483 C LYS A 224 -13.356 2.702 -5.967 1.00 0.00 C ATOM 484 O LYS A 224 -13.735 2.465 -7.097 1.00 0.00 O ATOM 485 CB LYS A 224 -14.965 1.582 -4.403 1.00 0.00 C ATOM 486 CG LYS A 224 -15.120 0.432 -3.406 1.00 0.00 C ATOM 487 CD LYS A 224 -16.593 0.292 -3.016 1.00 0.00 C ATOM 488 CE LYS A 224 -16.749 -0.839 -1.999 1.00 0.00 C ATOM 489 NZ LYS A 224 -17.344 -0.301 -0.746 1.00 0.00 N ATOM 0 H LYS A 224 -13.141 2.243 -2.826 1.00 0.00 H new ATOM 0 HA LYS A 224 -13.194 0.694 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -15.273 2.521 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -15.612 1.421 -5.265 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -14.759 -0.497 -3.847 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -14.514 0.620 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -16.958 1.228 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -17.196 0.085 -3.900 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -17.384 -1.625 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -15.779 -1.290 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -17.450 -1.070 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -16.722 0.434 -0.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -18.277 0.110 -0.953 1.00 0.00 H new ATOM 503 N HIS A 225 -12.806 3.847 -5.666 1.00 0.00 N ATOM 504 CA HIS A 225 -12.635 4.884 -6.722 1.00 0.00 C ATOM 505 C HIS A 225 -11.519 4.447 -7.672 1.00 0.00 C ATOM 506 O HIS A 225 -10.448 4.056 -7.251 1.00 0.00 O ATOM 507 CB HIS A 225 -12.258 6.221 -6.082 1.00 0.00 C ATOM 508 CG HIS A 225 -12.263 7.301 -7.131 1.00 0.00 C ATOM 509 ND1 HIS A 225 -11.964 7.044 -8.462 1.00 0.00 N ATOM 510 CD2 HIS A 225 -12.536 8.645 -7.062 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.064 8.207 -9.133 1.00 0.00 C ATOM 512 NE2 HIS A 225 -12.410 9.210 -8.325 1.00 0.00 N ATOM 0 H HIS A 225 -12.469 4.108 -4.739 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.569 5.001 -7.271 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.963 6.468 -5.288 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.272 6.151 -5.622 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -12.807 9.180 -6.164 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -11.886 8.314 -10.193 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -12.552 10.187 -8.581 1.00 0.00 H new ATOM 521 N GLU A 226 -11.765 4.502 -8.950 1.00 0.00 N ATOM 522 CA GLU A 226 -10.726 4.081 -9.934 1.00 0.00 C ATOM 523 C GLU A 226 -9.447 4.912 -9.754 1.00 0.00 C ATOM 524 O GLU A 226 -8.353 4.434 -9.979 1.00 0.00 O ATOM 525 CB GLU A 226 -11.269 4.274 -11.350 1.00 0.00 C ATOM 526 CG GLU A 226 -10.251 3.748 -12.362 1.00 0.00 C ATOM 527 CD GLU A 226 -10.743 4.036 -13.781 1.00 0.00 C ATOM 528 OE1 GLU A 226 -10.035 3.691 -14.713 1.00 0.00 O ATOM 529 OE2 GLU A 226 -11.818 4.596 -13.911 1.00 0.00 O ATOM 0 H GLU A 226 -12.643 4.821 -9.359 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.484 3.031 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -12.216 3.746 -11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -11.468 5.330 -11.534 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -9.283 4.221 -12.199 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -10.109 2.676 -12.226 1.00 0.00 H new ATOM 537 N LEU A 227 -9.570 6.152 -9.360 1.00 0.00 N ATOM 538 CA LEU A 227 -8.354 7.001 -9.181 1.00 0.00 C ATOM 539 C LEU A 227 -7.375 6.333 -8.215 1.00 0.00 C ATOM 540 O LEU A 227 -6.197 6.242 -8.484 1.00 0.00 O ATOM 541 CB LEU A 227 -8.763 8.362 -8.618 1.00 0.00 C ATOM 542 CG LEU A 227 -9.141 9.296 -9.769 1.00 0.00 C ATOM 543 CD1 LEU A 227 -9.989 10.451 -9.233 1.00 0.00 C ATOM 544 CD2 LEU A 227 -7.869 9.859 -10.410 1.00 0.00 C ATOM 0 H LEU A 227 -10.456 6.613 -9.155 1.00 0.00 H new ATOM 0 HA LEU A 227 -7.869 7.127 -10.149 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.606 8.247 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -7.943 8.791 -8.042 1.00 0.00 H new ATOM 0 HG LEU A 227 -9.710 8.739 -10.513 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -10.258 11.116 -10.054 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -10.895 10.055 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -9.419 11.006 -8.488 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -8.139 10.524 -11.230 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -7.301 10.414 -9.664 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -7.261 9.039 -10.793 1.00 0.00 H new ATOM 556 N LEU A 228 -7.853 5.859 -7.097 1.00 0.00 N ATOM 557 CA LEU A 228 -6.948 5.190 -6.121 1.00 0.00 C ATOM 558 C LEU A 228 -6.436 3.894 -6.730 1.00 0.00 C ATOM 559 O LEU A 228 -5.391 3.388 -6.372 1.00 0.00 O ATOM 560 CB LEU A 228 -7.705 4.883 -4.825 1.00 0.00 C ATOM 561 CG LEU A 228 -7.701 6.116 -3.915 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.801 7.083 -4.353 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.956 5.680 -2.469 1.00 0.00 C ATOM 0 H LEU A 228 -8.833 5.906 -6.817 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.111 5.850 -5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.730 4.591 -5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -7.240 4.041 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.733 6.613 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.795 7.959 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.624 7.394 -5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.769 6.587 -4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.954 6.555 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.924 5.183 -2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -7.172 4.991 -2.153 1.00 0.00 H new ATOM 575 N LYS A 229 -7.186 3.343 -7.633 1.00 0.00 N ATOM 576 CA LYS A 229 -6.782 2.068 -8.265 1.00 0.00 C ATOM 577 C LYS A 229 -5.602 2.288 -9.218 1.00 0.00 C ATOM 578 O LYS A 229 -5.076 1.344 -9.771 1.00 0.00 O ATOM 579 CB LYS A 229 -7.969 1.500 -9.041 1.00 0.00 C ATOM 580 CG LYS A 229 -8.036 -0.013 -8.836 1.00 0.00 C ATOM 581 CD LYS A 229 -8.399 -0.316 -7.380 1.00 0.00 C ATOM 582 CE LYS A 229 -9.538 -1.336 -7.340 1.00 0.00 C ATOM 583 NZ LYS A 229 -9.218 -2.471 -8.250 1.00 0.00 N ATOM 0 H LYS A 229 -8.072 3.727 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.472 1.368 -7.489 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.895 1.965 -8.702 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.867 1.730 -10.102 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.778 -0.449 -9.505 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -7.077 -0.467 -9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -7.529 -0.705 -6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.699 0.600 -6.871 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.679 -1.700 -6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -10.473 -0.865 -7.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -9.583 -3.356 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -9.660 -2.308 -9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -8.187 -2.543 -8.366 1.00 0.00 H new ATOM 597 N THR A 230 -5.184 3.512 -9.439 1.00 0.00 N ATOM 598 CA THR A 230 -4.044 3.727 -10.382 1.00 0.00 C ATOM 599 C THR A 230 -2.836 4.365 -9.673 1.00 0.00 C ATOM 600 O THR A 230 -1.712 4.191 -10.099 1.00 0.00 O ATOM 601 CB THR A 230 -4.507 4.587 -11.567 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.719 4.276 -12.707 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.366 6.073 -11.247 1.00 0.00 C ATOM 0 H THR A 230 -5.574 4.354 -9.017 1.00 0.00 H new ATOM 0 HA THR A 230 -3.718 2.756 -10.756 1.00 0.00 H new ATOM 0 HB THR A 230 -5.557 4.372 -11.765 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.012 4.822 -13.466 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.700 6.662 -12.101 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.975 6.317 -10.377 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.322 6.302 -11.034 1.00 0.00 H new ATOM 611 N LYS A 231 -3.034 5.073 -8.593 1.00 0.00 N ATOM 612 CA LYS A 231 -1.860 5.673 -7.880 1.00 0.00 C ATOM 613 C LYS A 231 -1.907 5.270 -6.404 1.00 0.00 C ATOM 614 O LYS A 231 -0.927 5.378 -5.694 1.00 0.00 O ATOM 615 CB LYS A 231 -1.861 7.203 -7.996 1.00 0.00 C ATOM 616 CG LYS A 231 -3.269 7.707 -8.262 1.00 0.00 C ATOM 617 CD LYS A 231 -4.153 7.347 -7.077 1.00 0.00 C ATOM 618 CE LYS A 231 -5.372 8.264 -7.064 1.00 0.00 C ATOM 619 NZ LYS A 231 -5.002 9.556 -6.425 1.00 0.00 N ATOM 0 H LYS A 231 -3.945 5.262 -8.175 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.947 5.299 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.476 7.645 -7.077 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.197 7.514 -8.802 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.261 8.787 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.663 7.261 -9.175 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.467 6.306 -7.145 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.595 7.451 -6.147 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.725 8.435 -8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -6.190 7.795 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.858 10.126 -6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.543 9.372 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.346 10.074 -7.044 1.00 0.00 H new ATOM 633 N CYS A 232 -3.033 4.798 -5.938 1.00 0.00 N ATOM 634 CA CYS A 232 -3.134 4.375 -4.508 1.00 0.00 C ATOM 635 C CYS A 232 -3.338 2.865 -4.442 1.00 0.00 C ATOM 636 O CYS A 232 -3.741 2.323 -3.432 1.00 0.00 O ATOM 637 CB CYS A 232 -4.312 5.074 -3.836 1.00 0.00 C ATOM 638 SG CYS A 232 -4.014 6.855 -3.813 1.00 0.00 S ATOM 0 H CYS A 232 -3.887 4.687 -6.484 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.215 4.648 -3.989 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.235 4.855 -4.373 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.439 4.702 -2.819 1.00 0.00 H new ATOM 643 N GLN A 233 -3.059 2.181 -5.511 1.00 0.00 N ATOM 644 CA GLN A 233 -3.233 0.704 -5.519 1.00 0.00 C ATOM 645 C GLN A 233 -2.556 0.108 -4.286 1.00 0.00 C ATOM 646 O GLN A 233 -3.036 -0.839 -3.701 1.00 0.00 O ATOM 647 CB GLN A 233 -2.574 0.145 -6.779 1.00 0.00 C ATOM 648 CG GLN A 233 -3.343 0.628 -8.007 1.00 0.00 C ATOM 649 CD GLN A 233 -2.577 0.240 -9.272 1.00 0.00 C ATOM 650 OE1 GLN A 233 -1.517 -0.349 -9.198 1.00 0.00 O ATOM 651 NE2 GLN A 233 -3.067 0.557 -10.438 1.00 0.00 N ATOM 0 H GLN A 233 -2.716 2.582 -6.384 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.293 0.450 -5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.535 0.470 -6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.566 -0.944 -6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -4.339 0.186 -8.022 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.474 1.709 -7.965 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.957 1.051 -10.500 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -2.560 0.310 -11.288 1.00 0.00 H new ATOM 660 N ALA A 234 -1.443 0.653 -3.886 1.00 0.00 N ATOM 661 CA ALA A 234 -0.744 0.107 -2.692 1.00 0.00 C ATOM 662 C ALA A 234 -1.498 0.491 -1.419 1.00 0.00 C ATOM 663 O ALA A 234 -1.580 -0.277 -0.483 1.00 0.00 O ATOM 664 CB ALA A 234 0.674 0.667 -2.634 1.00 0.00 C ATOM 0 H ALA A 234 -0.989 1.450 -4.332 1.00 0.00 H new ATOM 0 HA ALA A 234 -0.707 -0.980 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 234 1.187 0.268 -1.759 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.216 0.380 -3.535 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.633 1.754 -2.566 1.00 0.00 H new ATOM 670 N THR A 235 -2.049 1.670 -1.373 1.00 0.00 N ATOM 671 CA THR A 235 -2.794 2.093 -0.155 1.00 0.00 C ATOM 672 C THR A 235 -4.002 1.177 0.035 1.00 0.00 C ATOM 673 O THR A 235 -4.438 0.928 1.141 1.00 0.00 O ATOM 674 CB THR A 235 -3.247 3.549 -0.319 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.361 4.400 0.396 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.670 3.726 0.215 1.00 0.00 C ATOM 0 H THR A 235 -2.016 2.359 -2.125 1.00 0.00 H new ATOM 0 HA THR A 235 -2.152 2.021 0.723 1.00 0.00 H new ATOM 0 HB THR A 235 -3.235 3.808 -1.378 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.461 4.012 0.393 1.00 0.00 H new ATOM 0 HG21 THR A 235 -4.978 4.764 0.092 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.350 3.078 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 235 -4.697 3.462 1.272 1.00 0.00 H new ATOM 684 N CYS A 236 -4.544 0.673 -1.038 1.00 0.00 N ATOM 685 CA CYS A 236 -5.723 -0.228 -0.926 1.00 0.00 C ATOM 686 C CYS A 236 -5.296 -1.678 -1.171 1.00 0.00 C ATOM 687 O CYS A 236 -5.526 -2.545 -0.354 1.00 0.00 O ATOM 688 CB CYS A 236 -6.762 0.185 -1.966 1.00 0.00 C ATOM 689 SG CYS A 236 -7.300 1.878 -1.624 1.00 0.00 S ATOM 0 H CYS A 236 -4.220 0.847 -1.989 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.149 -0.151 0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -6.338 0.120 -2.968 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -7.614 -0.494 -1.936 1.00 0.00 H new ATOM 694 N LEU A 237 -4.679 -1.954 -2.286 1.00 0.00 N ATOM 695 CA LEU A 237 -4.248 -3.351 -2.559 1.00 0.00 C ATOM 696 C LEU A 237 -3.151 -3.742 -1.566 1.00 0.00 C ATOM 697 O LEU A 237 -3.052 -4.879 -1.152 1.00 0.00 O ATOM 698 CB LEU A 237 -3.733 -3.469 -3.993 1.00 0.00 C ATOM 699 CG LEU A 237 -4.799 -2.953 -4.967 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.400 -3.285 -6.407 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.137 -3.617 -4.654 1.00 0.00 C ATOM 0 H LEU A 237 -4.456 -1.277 -3.015 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.097 -4.025 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -2.813 -2.896 -4.108 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -3.492 -4.508 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 237 -4.886 -1.872 -4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.164 -2.914 -7.091 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.445 -2.812 -6.638 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.306 -4.365 -6.519 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -6.896 -3.251 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.041 -4.698 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -6.432 -3.377 -3.632 1.00 0.00 H new