USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=11 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= -0.207 K(o=-0.19,f=-2.5!) USER MOD Set 1.2: A 202 THR OG1 : rot -78:sc= 0.0187 USER MOD Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 198 ASN : amide:sc= -1.5 K(o=-1.5,f=-2.8!) USER MOD Single : A 203 ASN : amide:sc= -1.67! C(o=-1.7!,f=-6.4!) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 ASN : amide:sc=-0.00572 K(o=-0.0057,f=-1.7!) 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 180:sc= 0 USER MOD Single : A 224 LYS NZ :NH3+ -162:sc= -0.0748 (180deg=-0.582) USER MOD Single : A 225 HIS : no HD1:sc= -2.6! C(o=-2.6!,f=-13!) USER MOD Single : A 229 LYS NZ :NH3+ -124:sc= -1.62! (180deg=-5.17!) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ -161:sc= -2.31! (180deg=-3.17!) USER MOD Single : A 233 GLN : amide:sc= -1.9! C(o=-1.9!,f=-4.5!) USER MOD Single : A 235 THR OG1 : rot 39:sc= 0.448 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 15.633 2.971 0.526 1.00 0.00 N ATOM 19 CA CYS A 189 16.493 2.274 1.526 1.00 0.00 C ATOM 20 C CYS A 189 16.840 3.232 2.666 1.00 0.00 C ATOM 21 O CYS A 189 17.230 2.819 3.740 1.00 0.00 O ATOM 22 CB CYS A 189 17.781 1.794 0.851 1.00 0.00 C ATOM 23 SG CYS A 189 17.381 0.532 -0.383 1.00 0.00 S ATOM 0 HA CYS A 189 15.953 1.417 1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 189 18.290 2.633 0.377 1.00 0.00 H new ATOM 0 HB3 CYS A 189 18.464 1.386 1.596 1.00 0.00 H new ATOM 28 N ALA A 190 16.705 4.508 2.440 1.00 0.00 N ATOM 29 CA ALA A 190 17.031 5.498 3.504 1.00 0.00 C ATOM 30 C ALA A 190 16.554 4.988 4.872 1.00 0.00 C ATOM 31 O ALA A 190 17.265 4.285 5.563 1.00 0.00 O ATOM 32 CB ALA A 190 16.342 6.826 3.186 1.00 0.00 C ATOM 0 H ALA A 190 16.381 4.910 1.560 1.00 0.00 H new ATOM 0 HA ALA A 190 18.111 5.640 3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 190 16.578 7.554 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 190 16.693 7.197 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 190 15.263 6.676 3.146 1.00 0.00 H new ATOM 38 N SER A 191 15.365 5.351 5.272 1.00 0.00 N ATOM 39 CA SER A 191 14.849 4.902 6.602 1.00 0.00 C ATOM 40 C SER A 191 14.631 3.387 6.605 1.00 0.00 C ATOM 41 O SER A 191 14.705 2.743 7.632 1.00 0.00 O ATOM 42 CB SER A 191 13.522 5.606 6.890 1.00 0.00 C ATOM 43 OG SER A 191 12.534 5.130 5.983 1.00 0.00 O ATOM 0 H SER A 191 14.727 5.939 4.736 1.00 0.00 H new ATOM 0 HA SER A 191 15.580 5.154 7.370 1.00 0.00 H new ATOM 0 HB2 SER A 191 13.211 5.416 7.917 1.00 0.00 H new ATOM 0 HB3 SER A 191 13.639 6.685 6.786 1.00 0.00 H new ATOM 0 HG SER A 191 11.681 5.577 6.164 1.00 0.00 H new ATOM 49 N CYS A 192 14.360 2.813 5.466 1.00 0.00 N ATOM 50 CA CYS A 192 14.131 1.340 5.404 1.00 0.00 C ATOM 51 C CYS A 192 15.155 0.613 6.286 1.00 0.00 C ATOM 52 O CYS A 192 16.304 0.471 5.918 1.00 0.00 O ATOM 53 CB CYS A 192 14.288 0.873 3.958 1.00 0.00 C ATOM 54 SG CYS A 192 12.827 -0.069 3.457 1.00 0.00 S ATOM 0 H CYS A 192 14.287 3.300 4.573 1.00 0.00 H new ATOM 0 HA CYS A 192 13.127 1.114 5.763 1.00 0.00 H new ATOM 0 HB2 CYS A 192 14.421 1.732 3.301 1.00 0.00 H new ATOM 0 HB3 CYS A 192 15.181 0.256 3.860 1.00 0.00 H new ATOM 59 N PRO A 193 14.740 0.150 7.440 1.00 0.00 N ATOM 60 CA PRO A 193 15.636 -0.583 8.387 1.00 0.00 C ATOM 61 C PRO A 193 16.350 -1.765 7.719 1.00 0.00 C ATOM 62 O PRO A 193 16.139 -2.909 8.073 1.00 0.00 O ATOM 63 CB PRO A 193 14.692 -1.087 9.481 1.00 0.00 C ATOM 64 CG PRO A 193 13.488 -0.209 9.416 1.00 0.00 C ATOM 65 CD PRO A 193 13.374 0.279 7.974 1.00 0.00 C ATOM 0 HA PRO A 193 16.430 0.063 8.762 1.00 0.00 H new ATOM 0 HB2 PRO A 193 14.424 -2.131 9.316 1.00 0.00 H new ATOM 0 HB3 PRO A 193 15.165 -1.031 10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 193 12.593 -0.758 9.710 1.00 0.00 H new ATOM 0 HG3 PRO A 193 13.586 0.632 10.102 1.00 0.00 H new ATOM 0 HD2 PRO A 193 12.665 -0.323 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 193 13.025 1.310 7.929 1.00 0.00 H new ATOM 73 N ASN A 194 17.193 -1.497 6.762 1.00 0.00 N ATOM 74 CA ASN A 194 17.926 -2.601 6.073 1.00 0.00 C ATOM 75 C ASN A 194 16.920 -3.571 5.451 1.00 0.00 C ATOM 76 O ASN A 194 17.153 -4.761 5.379 1.00 0.00 O ATOM 77 CB ASN A 194 18.794 -3.349 7.088 1.00 0.00 C ATOM 78 CG ASN A 194 19.706 -2.355 7.808 1.00 0.00 C ATOM 79 OD1 ASN A 194 20.243 -1.453 7.197 1.00 0.00 O ATOM 80 ND2 ASN A 194 19.903 -2.484 9.092 1.00 0.00 N ATOM 0 H ASN A 194 17.408 -0.559 6.425 1.00 0.00 H new ATOM 0 HA ASN A 194 18.560 -2.183 5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 194 18.163 -3.869 7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 194 19.392 -4.107 6.583 1.00 0.00 H new ATOM 0 HD21 ASN A 194 20.509 -1.827 9.584 1.00 0.00 H new ATOM 0 HD22 ASN A 194 19.451 -3.242 9.604 1.00 0.00 H new ATOM 87 N ASN A 195 15.801 -3.073 5.003 1.00 0.00 N ATOM 88 CA ASN A 195 14.777 -3.964 4.389 1.00 0.00 C ATOM 89 C ASN A 195 15.023 -4.076 2.881 1.00 0.00 C ATOM 90 O ASN A 195 14.265 -4.700 2.166 1.00 0.00 O ATOM 91 CB ASN A 195 13.387 -3.374 4.635 1.00 0.00 C ATOM 92 CG ASN A 195 12.324 -4.461 4.459 1.00 0.00 C ATOM 93 OD1 ASN A 195 12.641 -5.632 4.384 1.00 0.00 O ATOM 94 ND2 ASN A 195 11.067 -4.120 4.391 1.00 0.00 N ATOM 0 H ASN A 195 15.551 -2.085 5.036 1.00 0.00 H new ATOM 0 HA ASN A 195 14.843 -4.956 4.837 1.00 0.00 H new ATOM 0 HB2 ASN A 195 13.331 -2.958 5.641 1.00 0.00 H new ATOM 0 HB3 ASN A 195 13.201 -2.555 3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 195 10.350 -4.836 4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 195 10.801 -3.137 4.454 1.00 0.00 H new ATOM 101 N CYS A 196 16.069 -3.469 2.388 1.00 0.00 N ATOM 102 CA CYS A 196 16.345 -3.542 0.924 1.00 0.00 C ATOM 103 C CYS A 196 17.067 -4.850 0.592 1.00 0.00 C ATOM 104 O CYS A 196 18.218 -5.035 0.930 1.00 0.00 O ATOM 105 CB CYS A 196 17.226 -2.357 0.514 1.00 0.00 C ATOM 106 SG CYS A 196 16.274 -0.821 0.634 1.00 0.00 S ATOM 0 H CYS A 196 16.741 -2.928 2.932 1.00 0.00 H new ATOM 0 HA CYS A 196 15.401 -3.506 0.380 1.00 0.00 H new ATOM 0 HB2 CYS A 196 18.104 -2.304 1.158 1.00 0.00 H new ATOM 0 HB3 CYS A 196 17.586 -2.495 -0.505 1.00 0.00 H new ATOM 111 N GLU A 197 16.407 -5.755 -0.083 1.00 0.00 N ATOM 112 CA GLU A 197 17.073 -7.039 -0.444 1.00 0.00 C ATOM 113 C GLU A 197 18.150 -6.749 -1.487 1.00 0.00 C ATOM 114 O GLU A 197 19.258 -7.243 -1.415 1.00 0.00 O ATOM 115 CB GLU A 197 16.043 -8.005 -1.035 1.00 0.00 C ATOM 116 CG GLU A 197 16.692 -9.373 -1.245 1.00 0.00 C ATOM 117 CD GLU A 197 15.698 -10.307 -1.938 1.00 0.00 C ATOM 118 OE1 GLU A 197 16.053 -11.453 -2.168 1.00 0.00 O ATOM 119 OE2 GLU A 197 14.600 -9.862 -2.228 1.00 0.00 O ATOM 0 H GLU A 197 15.441 -5.661 -0.398 1.00 0.00 H new ATOM 0 HA GLU A 197 17.518 -7.490 0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 197 15.187 -8.095 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 197 15.668 -7.619 -1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 197 17.594 -9.271 -1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 197 16.996 -9.794 -0.287 1.00 0.00 H new ATOM 127 N ASN A 198 17.824 -5.937 -2.451 1.00 0.00 N ATOM 128 CA ASN A 198 18.809 -5.580 -3.505 1.00 0.00 C ATOM 129 C ASN A 198 18.673 -4.087 -3.800 1.00 0.00 C ATOM 130 O ASN A 198 18.860 -3.641 -4.913 1.00 0.00 O ATOM 131 CB ASN A 198 18.520 -6.387 -4.775 1.00 0.00 C ATOM 132 CG ASN A 198 18.626 -7.881 -4.464 1.00 0.00 C ATOM 133 OD1 ASN A 198 19.411 -8.283 -3.629 1.00 0.00 O ATOM 134 ND2 ASN A 198 17.864 -8.726 -5.106 1.00 0.00 N ATOM 0 H ASN A 198 16.908 -5.501 -2.554 1.00 0.00 H new ATOM 0 HA ASN A 198 19.821 -5.806 -3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 198 17.524 -6.152 -5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 198 19.227 -6.117 -5.559 1.00 0.00 H new ATOM 0 HD21 ASN A 198 17.928 -9.724 -4.906 1.00 0.00 H new ATOM 0 HD22 ASN A 198 17.205 -8.388 -5.807 1.00 0.00 H new ATOM 141 N GLY A 199 18.333 -3.315 -2.802 1.00 0.00 N ATOM 142 CA GLY A 199 18.164 -1.850 -3.010 1.00 0.00 C ATOM 143 C GLY A 199 16.672 -1.520 -3.066 1.00 0.00 C ATOM 144 O GLY A 199 16.283 -0.383 -3.252 1.00 0.00 O ATOM 0 H GLY A 199 18.165 -3.639 -1.849 1.00 0.00 H new ATOM 0 HA2 GLY A 199 18.641 -1.298 -2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 199 18.652 -1.543 -3.935 1.00 0.00 H new ATOM 148 N LEU A 200 15.832 -2.510 -2.910 1.00 0.00 N ATOM 149 CA LEU A 200 14.361 -2.263 -2.956 1.00 0.00 C ATOM 150 C LEU A 200 13.715 -2.767 -1.662 1.00 0.00 C ATOM 151 O LEU A 200 13.954 -3.877 -1.234 1.00 0.00 O ATOM 152 CB LEU A 200 13.763 -3.017 -4.145 1.00 0.00 C ATOM 153 CG LEU A 200 12.312 -2.580 -4.350 1.00 0.00 C ATOM 154 CD1 LEU A 200 12.275 -1.129 -4.834 1.00 0.00 C ATOM 155 CD2 LEU A 200 11.651 -3.480 -5.397 1.00 0.00 C ATOM 0 H LEU A 200 16.102 -3.481 -2.752 1.00 0.00 H new ATOM 0 HA LEU A 200 14.174 -1.194 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 200 14.344 -2.818 -5.045 1.00 0.00 H new ATOM 0 HB3 LEU A 200 13.809 -4.092 -3.968 1.00 0.00 H new ATOM 0 HG LEU A 200 11.774 -2.661 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 200 11.240 -0.820 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 200 12.745 -0.485 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 200 12.814 -1.046 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 200 10.617 -3.169 -5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 200 12.191 -3.399 -6.340 1.00 0.00 H new ATOM 0 HD23 LEU A 200 11.674 -4.514 -5.054 1.00 0.00 H new ATOM 167 N CYS A 201 12.889 -1.967 -1.038 1.00 0.00 N ATOM 168 CA CYS A 201 12.230 -2.418 0.223 1.00 0.00 C ATOM 169 C CYS A 201 11.129 -3.427 -0.112 1.00 0.00 C ATOM 170 O CYS A 201 10.410 -3.277 -1.079 1.00 0.00 O ATOM 171 CB CYS A 201 11.606 -1.214 0.937 1.00 0.00 C ATOM 172 SG CYS A 201 12.905 -0.057 1.439 1.00 0.00 S ATOM 0 H CYS A 201 12.644 -1.026 -1.346 1.00 0.00 H new ATOM 0 HA CYS A 201 12.973 -2.883 0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 201 10.897 -0.715 0.276 1.00 0.00 H new ATOM 0 HB3 CYS A 201 11.046 -1.548 1.811 1.00 0.00 H new ATOM 177 N THR A 202 10.988 -4.453 0.683 1.00 0.00 N ATOM 178 CA THR A 202 9.928 -5.463 0.408 1.00 0.00 C ATOM 179 C THR A 202 8.635 -5.038 1.107 1.00 0.00 C ATOM 180 O THR A 202 7.617 -5.693 1.006 1.00 0.00 O ATOM 181 CB THR A 202 10.374 -6.830 0.934 1.00 0.00 C ATOM 182 OG1 THR A 202 10.491 -6.775 2.350 1.00 0.00 O ATOM 183 CG2 THR A 202 11.724 -7.201 0.317 1.00 0.00 C ATOM 0 H THR A 202 11.559 -4.635 1.508 1.00 0.00 H new ATOM 0 HA THR A 202 9.756 -5.532 -0.666 1.00 0.00 H new ATOM 0 HB THR A 202 9.636 -7.585 0.661 1.00 0.00 H new ATOM 0 HG1 THR A 202 11.329 -6.328 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 202 12.040 -8.174 0.692 1.00 0.00 H new ATOM 0 HG22 THR A 202 11.629 -7.244 -0.768 1.00 0.00 H new ATOM 0 HG23 THR A 202 12.466 -6.450 0.587 1.00 0.00 H new ATOM 191 N ASN A 203 8.670 -3.941 1.817 1.00 0.00 N ATOM 192 CA ASN A 203 7.448 -3.464 2.524 1.00 0.00 C ATOM 193 C ASN A 203 6.625 -2.589 1.578 1.00 0.00 C ATOM 194 O ASN A 203 5.647 -1.983 1.966 1.00 0.00 O ATOM 195 CB ASN A 203 7.860 -2.649 3.754 1.00 0.00 C ATOM 196 CG ASN A 203 8.403 -1.289 3.306 1.00 0.00 C ATOM 197 OD1 ASN A 203 8.609 -1.064 2.131 1.00 0.00 O ATOM 198 ND2 ASN A 203 8.651 -0.368 4.198 1.00 0.00 N ATOM 0 H ASN A 203 9.495 -3.354 1.937 1.00 0.00 H new ATOM 0 HA ASN A 203 6.848 -4.318 2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 203 7.005 -2.511 4.416 1.00 0.00 H new ATOM 0 HB3 ASN A 203 8.619 -3.187 4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 203 9.017 0.538 3.907 1.00 0.00 H new ATOM 0 HD22 ASN A 203 8.479 -0.555 5.186 1.00 0.00 H new ATOM 239 N PHE A 207 2.060 -3.349 -4.812 1.00 0.00 N ATOM 240 CA PHE A 207 1.649 -2.003 -5.302 1.00 0.00 C ATOM 241 C PHE A 207 2.388 -0.900 -4.552 1.00 0.00 C ATOM 242 O PHE A 207 2.856 -1.079 -3.446 1.00 0.00 O ATOM 243 CB PHE A 207 0.154 -1.822 -5.072 1.00 0.00 C ATOM 244 CG PHE A 207 -0.614 -2.577 -6.117 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.579 -2.149 -7.446 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.359 -3.701 -5.757 1.00 0.00 C ATOM 247 CE1 PHE A 207 -1.294 -2.853 -8.423 1.00 0.00 C ATOM 248 CE2 PHE A 207 -2.074 -4.403 -6.729 1.00 0.00 C ATOM 249 CZ PHE A 207 -2.042 -3.983 -8.063 1.00 0.00 C ATOM 0 HA PHE A 207 1.890 -1.936 -6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 207 -0.117 -2.180 -4.079 1.00 0.00 H new ATOM 0 HB3 PHE A 207 -0.104 -0.764 -5.111 1.00 0.00 H new ATOM 0 HD1 PHE A 207 -0.002 -1.278 -7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.382 -4.027 -4.728 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -1.269 -2.526 -9.452 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.653 -5.271 -6.451 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.593 -4.529 -8.815 1.00 0.00 H new ATOM 259 N GLU A 208 2.477 0.252 -5.156 1.00 0.00 N ATOM 260 CA GLU A 208 3.159 1.395 -4.498 1.00 0.00 C ATOM 261 C GLU A 208 2.285 2.640 -4.647 1.00 0.00 C ATOM 262 O GLU A 208 1.720 2.890 -5.693 1.00 0.00 O ATOM 263 CB GLU A 208 4.518 1.634 -5.159 1.00 0.00 C ATOM 264 CG GLU A 208 5.264 2.734 -4.403 1.00 0.00 C ATOM 265 CD GLU A 208 6.582 3.038 -5.117 1.00 0.00 C ATOM 266 OE1 GLU A 208 6.878 2.360 -6.086 1.00 0.00 O ATOM 267 OE2 GLU A 208 7.271 3.947 -4.683 1.00 0.00 O ATOM 0 H GLU A 208 2.103 0.450 -6.084 1.00 0.00 H new ATOM 0 HA GLU A 208 3.314 1.177 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 208 5.103 0.714 -5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.382 1.922 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.651 3.634 -4.350 1.00 0.00 H new ATOM 0 HG3 GLU A 208 5.458 2.419 -3.378 1.00 0.00 H new ATOM 275 N ASP A 209 2.157 3.418 -3.611 1.00 0.00 N ATOM 276 CA ASP A 209 1.305 4.635 -3.704 1.00 0.00 C ATOM 277 C ASP A 209 2.057 5.738 -4.443 1.00 0.00 C ATOM 278 O ASP A 209 3.038 6.268 -3.960 1.00 0.00 O ATOM 279 CB ASP A 209 0.946 5.115 -2.298 1.00 0.00 C ATOM 280 CG ASP A 209 0.021 4.096 -1.629 1.00 0.00 C ATOM 281 OD1 ASP A 209 -0.112 4.151 -0.419 1.00 0.00 O ATOM 282 OD2 ASP A 209 -0.542 3.280 -2.342 1.00 0.00 O ATOM 0 H ASP A 209 2.603 3.265 -2.707 1.00 0.00 H new ATOM 0 HA ASP A 209 0.393 4.394 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.851 5.244 -1.705 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.456 6.088 -2.349 1.00 0.00 H new ATOM 288 N LEU A 210 1.594 6.099 -5.607 1.00 0.00 N ATOM 289 CA LEU A 210 2.266 7.179 -6.376 1.00 0.00 C ATOM 290 C LEU A 210 2.156 8.495 -5.600 1.00 0.00 C ATOM 291 O LEU A 210 2.986 9.372 -5.730 1.00 0.00 O ATOM 292 CB LEU A 210 1.603 7.313 -7.751 1.00 0.00 C ATOM 293 CG LEU A 210 2.130 6.211 -8.676 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.892 4.844 -8.031 1.00 0.00 C ATOM 295 CD2 LEU A 210 1.396 6.272 -10.019 1.00 0.00 C ATOM 0 H LEU A 210 0.776 5.690 -6.059 1.00 0.00 H new ATOM 0 HA LEU A 210 3.320 6.937 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.520 7.236 -7.655 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.816 8.294 -8.176 1.00 0.00 H new ATOM 0 HG LEU A 210 3.198 6.358 -8.838 1.00 0.00 H new ATOM 0 HD11 LEU A 210 2.267 4.061 -8.690 1.00 0.00 H new ATOM 0 HD12 LEU A 210 2.415 4.796 -7.076 1.00 0.00 H new ATOM 0 HD13 LEU A 210 0.824 4.700 -7.867 1.00 0.00 H new ATOM 0 HD21 LEU A 210 1.772 5.487 -10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 210 0.328 6.128 -9.857 1.00 0.00 H new ATOM 0 HD23 LEU A 210 1.565 7.244 -10.482 1.00 0.00 H new ATOM 307 N LEU A 211 1.138 8.637 -4.790 1.00 0.00 N ATOM 308 CA LEU A 211 0.979 9.895 -4.001 1.00 0.00 C ATOM 309 C LEU A 211 1.208 9.601 -2.517 1.00 0.00 C ATOM 310 O LEU A 211 0.864 8.546 -2.023 1.00 0.00 O ATOM 311 CB LEU A 211 -0.432 10.455 -4.200 1.00 0.00 C ATOM 312 CG LEU A 211 -0.700 10.639 -5.693 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.034 11.362 -5.888 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.424 11.470 -6.315 1.00 0.00 C ATOM 0 H LEU A 211 0.411 7.937 -4.641 1.00 0.00 H new ATOM 0 HA LEU A 211 1.709 10.629 -4.343 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.168 9.777 -3.768 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.533 11.408 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.741 9.663 -6.176 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.225 11.493 -6.953 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.836 10.771 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -1.993 12.338 -5.404 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.233 11.601 -7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.466 12.446 -5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.375 10.956 -6.178 1.00 0.00 H new ATOM 326 N SER A 212 1.790 10.526 -1.803 1.00 0.00 N ATOM 327 CA SER A 212 2.045 10.302 -0.352 1.00 0.00 C ATOM 328 C SER A 212 0.770 10.589 0.444 1.00 0.00 C ATOM 329 O SER A 212 0.728 10.416 1.646 1.00 0.00 O ATOM 330 CB SER A 212 3.153 11.245 0.117 1.00 0.00 C ATOM 331 OG SER A 212 2.629 12.564 0.216 1.00 0.00 O ATOM 0 H SER A 212 2.100 11.429 -2.163 1.00 0.00 H new ATOM 0 HA SER A 212 2.348 9.267 -0.193 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.540 10.920 1.083 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.987 11.223 -0.584 1.00 0.00 H new ATOM 0 HG SER A 212 3.334 13.174 0.518 1.00 0.00 H new ATOM 337 N ASN A 213 -0.270 11.025 -0.215 1.00 0.00 N ATOM 338 CA ASN A 213 -1.540 11.325 0.504 1.00 0.00 C ATOM 339 C ASN A 213 -2.609 10.303 0.113 1.00 0.00 C ATOM 340 O ASN A 213 -3.791 10.560 0.217 1.00 0.00 O ATOM 341 CB ASN A 213 -2.017 12.730 0.133 1.00 0.00 C ATOM 342 CG ASN A 213 -1.042 13.766 0.696 1.00 0.00 C ATOM 343 OD1 ASN A 213 -0.272 13.469 1.588 1.00 0.00 O ATOM 344 ND2 ASN A 213 -1.040 14.979 0.211 1.00 0.00 N ATOM 0 H ASN A 213 -0.294 11.186 -1.222 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.367 11.271 1.579 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -2.083 12.829 -0.951 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -3.017 12.903 0.531 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -0.393 15.675 0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -1.686 15.230 -0.538 1.00 0.00 H new ATOM 351 N CYS A 214 -2.208 9.149 -0.338 1.00 0.00 N ATOM 352 CA CYS A 214 -3.212 8.125 -0.735 1.00 0.00 C ATOM 353 C CYS A 214 -4.138 7.830 0.443 1.00 0.00 C ATOM 354 O CYS A 214 -5.338 7.713 0.284 1.00 0.00 O ATOM 355 CB CYS A 214 -2.497 6.844 -1.160 1.00 0.00 C ATOM 356 SG CYS A 214 -1.900 7.042 -2.853 1.00 0.00 S ATOM 0 H CYS A 214 -1.233 8.871 -0.449 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.802 8.503 -1.570 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.664 6.637 -0.488 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.177 5.994 -1.097 1.00 0.00 H new ATOM 361 N GLU A 215 -3.604 7.726 1.626 1.00 0.00 N ATOM 362 CA GLU A 215 -4.477 7.458 2.796 1.00 0.00 C ATOM 363 C GLU A 215 -5.503 8.586 2.883 1.00 0.00 C ATOM 364 O GLU A 215 -6.661 8.375 3.182 1.00 0.00 O ATOM 365 CB GLU A 215 -3.629 7.433 4.069 1.00 0.00 C ATOM 366 CG GLU A 215 -4.484 6.965 5.246 1.00 0.00 C ATOM 367 CD GLU A 215 -3.676 7.087 6.539 1.00 0.00 C ATOM 368 OE1 GLU A 215 -4.213 6.759 7.584 1.00 0.00 O ATOM 369 OE2 GLU A 215 -2.534 7.509 6.462 1.00 0.00 O ATOM 0 H GLU A 215 -2.609 7.814 1.831 1.00 0.00 H new ATOM 0 HA GLU A 215 -4.979 6.496 2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.777 6.766 3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.228 8.426 4.270 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.391 7.566 5.313 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -4.796 5.932 5.095 1.00 0.00 H new ATOM 377 N SER A 216 -5.076 9.789 2.604 1.00 0.00 N ATOM 378 CA SER A 216 -6.009 10.948 2.646 1.00 0.00 C ATOM 379 C SER A 216 -7.092 10.766 1.582 1.00 0.00 C ATOM 380 O SER A 216 -8.257 11.028 1.814 1.00 0.00 O ATOM 381 CB SER A 216 -5.231 12.231 2.358 1.00 0.00 C ATOM 382 OG SER A 216 -6.057 13.355 2.630 1.00 0.00 O ATOM 0 H SER A 216 -4.116 10.018 2.348 1.00 0.00 H new ATOM 0 HA SER A 216 -6.471 11.011 3.631 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.332 12.270 2.972 1.00 0.00 H new ATOM 0 HB3 SER A 216 -4.907 12.247 1.317 1.00 0.00 H new ATOM 0 HG SER A 216 -5.559 14.179 2.447 1.00 0.00 H new ATOM 388 N LEU A 217 -6.719 10.317 0.413 1.00 0.00 N ATOM 389 CA LEU A 217 -7.730 10.121 -0.663 1.00 0.00 C ATOM 390 C LEU A 217 -8.766 9.104 -0.197 1.00 0.00 C ATOM 391 O LEU A 217 -9.949 9.259 -0.423 1.00 0.00 O ATOM 392 CB LEU A 217 -7.038 9.601 -1.925 1.00 0.00 C ATOM 393 CG LEU A 217 -5.972 10.600 -2.374 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.377 10.147 -3.706 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.609 11.982 -2.549 1.00 0.00 C ATOM 0 H LEU A 217 -5.760 10.079 0.159 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.219 11.070 -0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.582 8.631 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.770 9.454 -2.719 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.185 10.652 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.617 10.860 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.924 9.163 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -6.165 10.095 -4.457 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -5.849 12.695 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.396 11.927 -3.302 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.036 12.308 -1.601 1.00 0.00 H new ATOM 407 N LYS A 218 -8.331 8.071 0.464 1.00 0.00 N ATOM 408 CA LYS A 218 -9.289 7.050 0.958 1.00 0.00 C ATOM 409 C LYS A 218 -10.304 7.717 1.879 1.00 0.00 C ATOM 410 O LYS A 218 -11.487 7.456 1.820 1.00 0.00 O ATOM 411 CB LYS A 218 -8.525 5.988 1.735 1.00 0.00 C ATOM 412 CG LYS A 218 -9.511 4.975 2.307 1.00 0.00 C ATOM 413 CD LYS A 218 -8.788 3.653 2.535 1.00 0.00 C ATOM 414 CE LYS A 218 -7.454 3.919 3.233 1.00 0.00 C ATOM 415 NZ LYS A 218 -7.011 2.690 3.950 1.00 0.00 N ATOM 0 H LYS A 218 -7.351 7.890 0.683 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.807 6.590 0.116 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.810 5.488 1.082 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -7.953 6.451 2.540 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.927 5.343 3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -10.346 4.834 1.621 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -9.403 2.989 3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -8.619 3.149 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -6.702 4.216 2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -7.559 4.745 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -6.104 2.873 4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -7.725 2.425 4.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -6.895 1.913 3.268 1.00 0.00 H new ATOM 429 N THR A 219 -9.846 8.583 2.731 1.00 0.00 N ATOM 430 CA THR A 219 -10.773 9.274 3.660 1.00 0.00 C ATOM 431 C THR A 219 -11.758 10.128 2.859 1.00 0.00 C ATOM 432 O THR A 219 -12.858 10.395 3.296 1.00 0.00 O ATOM 433 CB THR A 219 -9.970 10.162 4.612 1.00 0.00 C ATOM 434 OG1 THR A 219 -8.988 9.373 5.272 1.00 0.00 O ATOM 435 CG2 THR A 219 -10.908 10.780 5.648 1.00 0.00 C ATOM 0 H THR A 219 -8.864 8.844 2.825 1.00 0.00 H new ATOM 0 HA THR A 219 -11.328 8.536 4.239 1.00 0.00 H new ATOM 0 HB THR A 219 -9.483 10.957 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 219 -8.470 9.939 5.882 1.00 0.00 H new ATOM 0 HG21 THR A 219 -10.335 11.413 6.326 1.00 0.00 H new ATOM 0 HG22 THR A 219 -11.663 11.381 5.142 1.00 0.00 H new ATOM 0 HG23 THR A 219 -11.395 9.988 6.216 1.00 0.00 H new ATOM 443 N SER A 220 -11.369 10.571 1.691 1.00 0.00 N ATOM 444 CA SER A 220 -12.284 11.417 0.874 1.00 0.00 C ATOM 445 C SER A 220 -12.834 10.610 -0.302 1.00 0.00 C ATOM 446 O SER A 220 -13.984 10.218 -0.314 1.00 0.00 O ATOM 447 CB SER A 220 -11.514 12.625 0.341 1.00 0.00 C ATOM 448 OG SER A 220 -11.489 13.641 1.335 1.00 0.00 O ATOM 0 H SER A 220 -10.459 10.383 1.270 1.00 0.00 H new ATOM 0 HA SER A 220 -13.113 11.751 1.497 1.00 0.00 H new ATOM 0 HB2 SER A 220 -10.497 12.335 0.075 1.00 0.00 H new ATOM 0 HB3 SER A 220 -11.986 13.000 -0.567 1.00 0.00 H new ATOM 0 HG SER A 220 -10.994 14.417 0.997 1.00 0.00 H new ATOM 454 N ALA A 221 -12.028 10.371 -1.298 1.00 0.00 N ATOM 455 CA ALA A 221 -12.513 9.601 -2.478 1.00 0.00 C ATOM 456 C ALA A 221 -12.885 8.181 -2.055 1.00 0.00 C ATOM 457 O ALA A 221 -13.857 7.619 -2.517 1.00 0.00 O ATOM 458 CB ALA A 221 -11.408 9.531 -3.534 1.00 0.00 C ATOM 0 H ALA A 221 -11.056 10.675 -1.347 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.389 10.101 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.764 8.968 -4.396 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.138 10.540 -3.846 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.533 9.035 -3.113 1.00 0.00 H new ATOM 464 N GLY A 222 -12.105 7.589 -1.196 1.00 0.00 N ATOM 465 CA GLY A 222 -12.399 6.199 -0.765 1.00 0.00 C ATOM 466 C GLY A 222 -11.650 5.254 -1.696 1.00 0.00 C ATOM 467 O GLY A 222 -11.279 5.625 -2.792 1.00 0.00 O ATOM 0 H GLY A 222 -11.277 8.009 -0.775 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.086 6.045 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.471 6.005 -0.806 1.00 0.00 H new ATOM 471 N CYS A 223 -11.421 4.041 -1.288 1.00 0.00 N ATOM 472 CA CYS A 223 -10.695 3.106 -2.178 1.00 0.00 C ATOM 473 C CYS A 223 -11.687 2.527 -3.186 1.00 0.00 C ATOM 474 O CYS A 223 -12.670 3.156 -3.524 1.00 0.00 O ATOM 475 CB CYS A 223 -10.059 1.989 -1.345 1.00 0.00 C ATOM 476 SG CYS A 223 -8.357 2.451 -0.941 1.00 0.00 S ATOM 0 H CYS A 223 -11.703 3.661 -0.385 1.00 0.00 H new ATOM 0 HA CYS A 223 -9.901 3.629 -2.710 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -10.632 1.828 -0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -10.073 1.051 -1.900 1.00 0.00 H new ATOM 481 N LYS A 224 -11.443 1.352 -3.681 1.00 0.00 N ATOM 482 CA LYS A 224 -12.386 0.769 -4.673 1.00 0.00 C ATOM 483 C LYS A 224 -12.737 1.846 -5.703 1.00 0.00 C ATOM 484 O LYS A 224 -13.759 1.785 -6.360 1.00 0.00 O ATOM 485 CB LYS A 224 -13.656 0.297 -3.962 1.00 0.00 C ATOM 486 CG LYS A 224 -13.305 -0.830 -2.988 1.00 0.00 C ATOM 487 CD LYS A 224 -14.586 -1.413 -2.387 1.00 0.00 C ATOM 488 CE LYS A 224 -14.221 -2.457 -1.329 1.00 0.00 C ATOM 489 NZ LYS A 224 -13.372 -3.516 -1.944 1.00 0.00 N ATOM 0 H LYS A 224 -10.638 0.771 -3.446 1.00 0.00 H new ATOM 0 HA LYS A 224 -11.925 -0.084 -5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -14.115 1.127 -3.425 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -14.386 -0.053 -4.692 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -12.747 -1.610 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -12.660 -0.450 -2.195 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -15.185 -0.620 -1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -15.193 -1.869 -3.169 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -13.689 -1.983 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -15.126 -2.899 -0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -13.376 -4.360 -1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -13.749 -3.762 -2.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -12.398 -3.166 -2.044 1.00 0.00 H new ATOM 503 N HIS A 225 -11.892 2.831 -5.846 1.00 0.00 N ATOM 504 CA HIS A 225 -12.159 3.920 -6.828 1.00 0.00 C ATOM 505 C HIS A 225 -11.114 3.839 -7.943 1.00 0.00 C ATOM 506 O HIS A 225 -9.952 3.586 -7.695 1.00 0.00 O ATOM 507 CB HIS A 225 -12.059 5.276 -6.123 1.00 0.00 C ATOM 508 CG HIS A 225 -12.498 6.374 -7.053 1.00 0.00 C ATOM 509 ND1 HIS A 225 -12.003 6.494 -8.342 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.370 7.422 -6.886 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.575 7.579 -8.897 1.00 0.00 C ATOM 512 NE2 HIS A 225 -13.414 8.177 -8.051 1.00 0.00 N ATOM 0 H HIS A 225 -11.023 2.928 -5.321 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.158 3.810 -7.249 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.681 5.276 -5.228 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.033 5.452 -5.799 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -13.934 7.627 -5.988 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.379 7.922 -9.902 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -13.971 9.014 -8.223 1.00 0.00 H new ATOM 521 N GLU A 226 -11.516 4.032 -9.169 1.00 0.00 N ATOM 522 CA GLU A 226 -10.542 3.943 -10.296 1.00 0.00 C ATOM 523 C GLU A 226 -9.360 4.890 -10.057 1.00 0.00 C ATOM 524 O GLU A 226 -8.226 4.558 -10.343 1.00 0.00 O ATOM 525 CB GLU A 226 -11.242 4.327 -11.601 1.00 0.00 C ATOM 526 CG GLU A 226 -10.301 4.077 -12.783 1.00 0.00 C ATOM 527 CD GLU A 226 -10.958 4.575 -14.073 1.00 0.00 C ATOM 528 OE1 GLU A 226 -12.076 5.057 -13.996 1.00 0.00 O ATOM 529 OE2 GLU A 226 -10.332 4.466 -15.114 1.00 0.00 O ATOM 0 H GLU A 226 -12.475 4.247 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.168 2.921 -10.360 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -12.155 3.744 -11.721 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -11.535 5.376 -11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -9.354 4.592 -12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -10.076 3.014 -12.864 1.00 0.00 H new ATOM 537 N LEU A 227 -9.610 6.065 -9.541 1.00 0.00 N ATOM 538 CA LEU A 227 -8.489 7.019 -9.297 1.00 0.00 C ATOM 539 C LEU A 227 -7.445 6.374 -8.389 1.00 0.00 C ATOM 540 O LEU A 227 -6.283 6.297 -8.726 1.00 0.00 O ATOM 541 CB LEU A 227 -9.025 8.286 -8.631 1.00 0.00 C ATOM 542 CG LEU A 227 -9.619 9.207 -9.697 1.00 0.00 C ATOM 543 CD1 LEU A 227 -10.432 10.313 -9.025 1.00 0.00 C ATOM 544 CD2 LEU A 227 -8.486 9.836 -10.512 1.00 0.00 C ATOM 0 H LEU A 227 -10.536 6.403 -9.280 1.00 0.00 H new ATOM 0 HA LEU A 227 -8.029 7.275 -10.251 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.784 8.029 -7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -8.223 8.797 -8.099 1.00 0.00 H new ATOM 0 HG LEU A 227 -10.268 8.628 -10.354 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -10.854 10.968 -9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -11.238 9.869 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -9.784 10.892 -8.367 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -8.907 10.493 -11.273 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -7.839 10.413 -9.851 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -7.904 9.050 -10.993 1.00 0.00 H new ATOM 556 N LEU A 228 -7.847 5.898 -7.244 1.00 0.00 N ATOM 557 CA LEU A 228 -6.866 5.255 -6.332 1.00 0.00 C ATOM 558 C LEU A 228 -6.351 3.977 -6.980 1.00 0.00 C ATOM 559 O LEU A 228 -5.300 3.469 -6.642 1.00 0.00 O ATOM 560 CB LEU A 228 -7.521 4.933 -4.986 1.00 0.00 C ATOM 561 CG LEU A 228 -7.605 6.206 -4.138 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.873 6.977 -4.496 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.641 5.831 -2.655 1.00 0.00 C ATOM 0 H LEU A 228 -8.808 5.927 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.035 5.938 -6.154 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.518 4.523 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -6.943 4.172 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.733 6.829 -4.336 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.931 7.882 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.849 7.246 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.745 6.354 -4.300 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.701 6.737 -2.052 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.512 5.206 -2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -6.735 5.282 -2.396 1.00 0.00 H new ATOM 575 N LYS A 229 -7.101 3.448 -7.899 1.00 0.00 N ATOM 576 CA LYS A 229 -6.693 2.191 -8.571 1.00 0.00 C ATOM 577 C LYS A 229 -5.528 2.444 -9.538 1.00 0.00 C ATOM 578 O LYS A 229 -5.043 1.529 -10.173 1.00 0.00 O ATOM 579 CB LYS A 229 -7.884 1.635 -9.347 1.00 0.00 C ATOM 580 CG LYS A 229 -7.722 0.124 -9.522 1.00 0.00 C ATOM 581 CD LYS A 229 -7.901 -0.567 -8.165 1.00 0.00 C ATOM 582 CE LYS A 229 -9.021 -1.605 -8.252 1.00 0.00 C ATOM 583 NZ LYS A 229 -9.390 -2.048 -6.877 1.00 0.00 N ATOM 0 H LYS A 229 -7.989 3.837 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.366 1.476 -7.816 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.811 1.852 -8.816 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.954 2.119 -10.321 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.457 -0.252 -10.234 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -6.737 -0.103 -9.931 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -6.970 -1.049 -7.867 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.137 0.172 -7.399 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.889 -1.179 -8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -8.696 -2.459 -8.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -9.300 -3.082 -6.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -8.755 -1.600 -6.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -10.372 -1.772 -6.675 1.00 0.00 H new ATOM 597 N THR A 230 -5.080 3.668 -9.680 1.00 0.00 N ATOM 598 CA THR A 230 -3.958 3.921 -10.634 1.00 0.00 C ATOM 599 C THR A 230 -2.758 4.574 -9.925 1.00 0.00 C ATOM 600 O THR A 230 -1.624 4.336 -10.291 1.00 0.00 O ATOM 601 CB THR A 230 -4.448 4.798 -11.796 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.646 4.548 -12.941 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.360 6.276 -11.431 1.00 0.00 C ATOM 0 H THR A 230 -5.435 4.487 -9.187 1.00 0.00 H new ATOM 0 HA THR A 230 -3.621 2.963 -11.031 1.00 0.00 H new ATOM 0 HB THR A 230 -5.489 4.552 -12.006 1.00 0.00 H new ATOM 0 HG1 THR A 230 -3.956 5.105 -13.686 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.712 6.879 -12.268 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.980 6.472 -10.556 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.325 6.535 -11.207 1.00 0.00 H new ATOM 611 N LYS A 231 -2.977 5.377 -8.914 1.00 0.00 N ATOM 612 CA LYS A 231 -1.815 6.007 -8.206 1.00 0.00 C ATOM 613 C LYS A 231 -1.810 5.565 -6.737 1.00 0.00 C ATOM 614 O LYS A 231 -0.814 5.674 -6.051 1.00 0.00 O ATOM 615 CB LYS A 231 -1.898 7.538 -8.279 1.00 0.00 C ATOM 616 CG LYS A 231 -3.346 7.978 -8.451 1.00 0.00 C ATOM 617 CD LYS A 231 -4.153 7.498 -7.252 1.00 0.00 C ATOM 618 CE LYS A 231 -5.348 8.428 -7.035 1.00 0.00 C ATOM 619 NZ LYS A 231 -4.857 9.822 -6.859 1.00 0.00 N ATOM 0 H LYS A 231 -3.897 5.623 -8.550 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.895 5.685 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.482 7.976 -7.371 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.298 7.903 -9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.403 9.063 -8.534 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.758 7.566 -9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.498 6.478 -7.418 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.525 7.481 -6.361 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -6.026 8.373 -7.887 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.913 8.115 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.595 10.395 -6.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.004 9.817 -6.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -4.629 10.230 -7.788 1.00 0.00 H new ATOM 633 N CYS A 232 -2.918 5.065 -6.253 1.00 0.00 N ATOM 634 CA CYS A 232 -2.984 4.610 -4.833 1.00 0.00 C ATOM 635 C CYS A 232 -3.301 3.116 -4.797 1.00 0.00 C ATOM 636 O CYS A 232 -3.869 2.608 -3.850 1.00 0.00 O ATOM 637 CB CYS A 232 -4.082 5.380 -4.102 1.00 0.00 C ATOM 638 SG CYS A 232 -3.598 7.115 -3.942 1.00 0.00 S ATOM 0 H CYS A 232 -3.782 4.952 -6.783 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.027 4.793 -4.345 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.021 5.302 -4.649 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.251 4.946 -3.116 1.00 0.00 H new ATOM 643 N GLN A 233 -2.942 2.411 -5.831 1.00 0.00 N ATOM 644 CA GLN A 233 -3.222 0.949 -5.881 1.00 0.00 C ATOM 645 C GLN A 233 -2.694 0.266 -4.620 1.00 0.00 C ATOM 646 O GLN A 233 -3.281 -0.674 -4.125 1.00 0.00 O ATOM 647 CB GLN A 233 -2.531 0.362 -7.110 1.00 0.00 C ATOM 648 CG GLN A 233 -3.177 0.937 -8.370 1.00 0.00 C ATOM 649 CD GLN A 233 -2.354 0.547 -9.598 1.00 0.00 C ATOM 650 OE1 GLN A 233 -1.274 0.006 -9.472 1.00 0.00 O ATOM 651 NE2 GLN A 233 -2.817 0.812 -10.791 1.00 0.00 N ATOM 0 H GLN A 233 -2.463 2.786 -6.650 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.298 0.785 -5.940 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.467 0.598 -7.092 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.616 -0.725 -7.106 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -4.196 0.563 -8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.241 2.022 -8.294 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.724 1.266 -10.897 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -2.271 0.564 -11.616 1.00 0.00 H new ATOM 660 N ALA A 234 -1.590 0.718 -4.095 1.00 0.00 N ATOM 661 CA ALA A 234 -1.046 0.071 -2.872 1.00 0.00 C ATOM 662 C ALA A 234 -1.905 0.429 -1.663 1.00 0.00 C ATOM 663 O ALA A 234 -2.100 -0.371 -0.771 1.00 0.00 O ATOM 664 CB ALA A 234 0.393 0.534 -2.640 1.00 0.00 C ATOM 0 H ALA A 234 -1.045 1.501 -4.457 1.00 0.00 H new ATOM 0 HA ALA A 234 -1.059 -1.011 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 234 0.788 0.058 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.007 0.258 -3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.411 1.617 -2.514 1.00 0.00 H new ATOM 670 N THR A 235 -2.422 1.620 -1.618 1.00 0.00 N ATOM 671 CA THR A 235 -3.263 2.011 -0.458 1.00 0.00 C ATOM 672 C THR A 235 -4.564 1.205 -0.477 1.00 0.00 C ATOM 673 O THR A 235 -5.167 0.958 0.548 1.00 0.00 O ATOM 674 CB THR A 235 -3.566 3.506 -0.537 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.599 4.222 0.217 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.962 3.785 0.019 1.00 0.00 C ATOM 0 H THR A 235 -2.300 2.338 -2.332 1.00 0.00 H new ATOM 0 HA THR A 235 -2.733 1.803 0.471 1.00 0.00 H new ATOM 0 HB THR A 235 -3.529 3.827 -1.578 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.717 3.814 0.089 1.00 0.00 H new ATOM 0 HG21 THR A 235 -5.171 4.853 -0.041 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.702 3.237 -0.565 1.00 0.00 H new ATOM 0 HG23 THR A 235 -5.010 3.464 1.059 1.00 0.00 H new ATOM 684 N CYS A 236 -5.005 0.797 -1.635 1.00 0.00 N ATOM 685 CA CYS A 236 -6.268 0.011 -1.713 1.00 0.00 C ATOM 686 C CYS A 236 -5.953 -1.474 -1.916 1.00 0.00 C ATOM 687 O CYS A 236 -6.324 -2.311 -1.117 1.00 0.00 O ATOM 688 CB CYS A 236 -7.105 0.518 -2.890 1.00 0.00 C ATOM 689 SG CYS A 236 -7.380 2.295 -2.702 1.00 0.00 S ATOM 0 H CYS A 236 -4.546 0.974 -2.529 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.823 0.132 -0.783 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -6.593 0.315 -3.830 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -8.059 -0.008 -2.927 1.00 0.00 H new ATOM 694 N LEU A 237 -5.287 -1.811 -2.986 1.00 0.00 N ATOM 695 CA LEU A 237 -4.968 -3.245 -3.243 1.00 0.00 C ATOM 696 C LEU A 237 -4.023 -3.785 -2.161 1.00 0.00 C ATOM 697 O LEU A 237 -4.136 -4.922 -1.751 1.00 0.00 O ATOM 698 CB LEU A 237 -4.333 -3.383 -4.628 1.00 0.00 C ATOM 699 CG LEU A 237 -5.275 -2.779 -5.682 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.787 -3.142 -7.084 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.691 -3.329 -5.499 1.00 0.00 C ATOM 0 H LEU A 237 -4.950 -1.157 -3.693 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.887 -3.830 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.369 -2.874 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -4.145 -4.433 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.282 -1.696 -5.559 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.459 -2.711 -7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.782 -2.748 -7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.772 -4.226 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.350 -2.895 -6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.678 -4.413 -5.611 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -7.056 -3.072 -4.505 1.00 0.00 H new