USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=12 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 Single : A 191 SER OG : rot 180:sc= 0 USER MOD Single : A 194 ASN : amide:sc= -0.131 K(o=-0.13,f=-2.2!) USER MOD Single : A 195 ASN : amide:sc= -3.14! C(o=-3.1!,f=-3.9!) USER MOD Single : A 198 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.4!) USER MOD Single : A 202 THR OG1 : rot 154:sc= -1.03 USER MOD Single : A 203 ASN :FLIP amide:sc= -2.03 F(o=-2.5,f=-2) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 ASN : amide:sc= -0.0202 K(o=-0.02,f=-1.9!) 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 -159:sc= -0.871 USER MOD Single : A 224 LYS NZ :NH3+ 157:sc= -0.093 (180deg=-0.636) USER MOD Single : A 225 HIS : no HD1:sc= -6.21! C(o=-6.2!,f=-18!) USER MOD Single : A 229 LYS NZ :NH3+ -118:sc= -0.121 (180deg=-1.15) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 176:sc= -2.41! (180deg=-2.68!) USER MOD Single : A 233 GLN : amide:sc= -1.21! C(o=-1.2!,f=-1.4!) USER MOD Single : A 235 THR OG1 : rot -160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 17.631 3.449 -6.456 1.00 0.00 N ATOM 19 CA CYS A 189 17.206 3.736 -5.057 1.00 0.00 C ATOM 20 C CYS A 189 16.187 4.877 -5.045 1.00 0.00 C ATOM 21 O CYS A 189 15.417 5.023 -4.115 1.00 0.00 O ATOM 22 CB CYS A 189 18.425 4.134 -4.227 1.00 0.00 C ATOM 23 SG CYS A 189 17.913 4.456 -2.519 1.00 0.00 S ATOM 0 HA CYS A 189 16.748 2.843 -4.632 1.00 0.00 H new ATOM 0 HB2 CYS A 189 19.170 3.339 -4.251 1.00 0.00 H new ATOM 0 HB3 CYS A 189 18.893 5.022 -4.651 1.00 0.00 H new ATOM 28 N ALA A 190 16.174 5.688 -6.066 1.00 0.00 N ATOM 29 CA ALA A 190 15.201 6.817 -6.101 1.00 0.00 C ATOM 30 C ALA A 190 13.778 6.259 -6.019 1.00 0.00 C ATOM 31 O ALA A 190 12.886 6.884 -5.481 1.00 0.00 O ATOM 32 CB ALA A 190 15.369 7.601 -7.405 1.00 0.00 C ATOM 0 H ALA A 190 16.792 5.619 -6.875 1.00 0.00 H new ATOM 0 HA ALA A 190 15.383 7.482 -5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 190 14.657 8.426 -7.428 1.00 0.00 H new ATOM 0 HB2 ALA A 190 16.383 7.996 -7.464 1.00 0.00 H new ATOM 0 HB3 ALA A 190 15.187 6.940 -8.253 1.00 0.00 H new ATOM 38 N SER A 191 13.557 5.084 -6.549 1.00 0.00 N ATOM 39 CA SER A 191 12.192 4.491 -6.493 1.00 0.00 C ATOM 40 C SER A 191 11.763 4.334 -5.033 1.00 0.00 C ATOM 41 O SER A 191 10.619 4.551 -4.684 1.00 0.00 O ATOM 42 CB SER A 191 12.212 3.117 -7.164 1.00 0.00 C ATOM 43 OG SER A 191 10.879 2.655 -7.336 1.00 0.00 O ATOM 0 H SER A 191 14.261 4.513 -7.016 1.00 0.00 H new ATOM 0 HA SER A 191 11.489 5.144 -7.011 1.00 0.00 H new ATOM 0 HB2 SER A 191 12.714 3.179 -8.129 1.00 0.00 H new ATOM 0 HB3 SER A 191 12.777 2.411 -6.555 1.00 0.00 H new ATOM 0 HG SER A 191 10.891 1.775 -7.767 1.00 0.00 H new ATOM 49 N CYS A 192 12.675 3.958 -4.177 1.00 0.00 N ATOM 50 CA CYS A 192 12.329 3.781 -2.738 1.00 0.00 C ATOM 51 C CYS A 192 13.330 4.547 -1.868 1.00 0.00 C ATOM 52 O CYS A 192 14.269 3.977 -1.348 1.00 0.00 O ATOM 53 CB CYS A 192 12.388 2.296 -2.380 1.00 0.00 C ATOM 54 SG CYS A 192 11.726 1.315 -3.751 1.00 0.00 S ATOM 0 H CYS A 192 13.648 3.765 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 192 11.324 4.164 -2.561 1.00 0.00 H new ATOM 0 HB2 CYS A 192 13.417 2.002 -2.173 1.00 0.00 H new ATOM 0 HB3 CYS A 192 11.813 2.107 -1.473 1.00 0.00 H new ATOM 59 N PRO A 193 13.136 5.831 -1.716 1.00 0.00 N ATOM 60 CA PRO A 193 14.042 6.683 -0.897 1.00 0.00 C ATOM 61 C PRO A 193 13.891 6.419 0.603 1.00 0.00 C ATOM 62 O PRO A 193 14.806 6.629 1.375 1.00 0.00 O ATOM 63 CB PRO A 193 13.622 8.113 -1.238 1.00 0.00 C ATOM 64 CG PRO A 193 12.222 8.020 -1.755 1.00 0.00 C ATOM 65 CD PRO A 193 12.029 6.604 -2.301 1.00 0.00 C ATOM 0 HA PRO A 193 15.090 6.480 -1.118 1.00 0.00 H new ATOM 0 HB2 PRO A 193 13.671 8.754 -0.358 1.00 0.00 H new ATOM 0 HB3 PRO A 193 14.286 8.547 -1.986 1.00 0.00 H new ATOM 0 HG2 PRO A 193 11.505 8.226 -0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 193 12.052 8.760 -2.537 1.00 0.00 H new ATOM 0 HD2 PRO A 193 11.062 6.195 -2.010 1.00 0.00 H new ATOM 0 HD3 PRO A 193 12.067 6.590 -3.390 1.00 0.00 H new ATOM 73 N ASN A 194 12.746 5.955 1.024 1.00 0.00 N ATOM 74 CA ASN A 194 12.541 5.676 2.473 1.00 0.00 C ATOM 75 C ASN A 194 12.947 4.232 2.776 1.00 0.00 C ATOM 76 O ASN A 194 12.927 3.798 3.909 1.00 0.00 O ATOM 77 CB ASN A 194 11.063 5.874 2.827 1.00 0.00 C ATOM 78 CG ASN A 194 10.910 5.954 4.347 1.00 0.00 C ATOM 79 OD1 ASN A 194 11.847 6.280 5.048 1.00 0.00 O ATOM 80 ND2 ASN A 194 9.759 5.664 4.888 1.00 0.00 N ATOM 0 H ASN A 194 11.943 5.757 0.426 1.00 0.00 H new ATOM 0 HA ASN A 194 13.152 6.358 3.064 1.00 0.00 H new ATOM 0 HB2 ASN A 194 10.686 6.786 2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 194 10.470 5.048 2.434 1.00 0.00 H new ATOM 0 HD21 ASN A 194 9.645 5.711 5.901 1.00 0.00 H new ATOM 0 HD22 ASN A 194 8.973 5.390 4.298 1.00 0.00 H new ATOM 87 N ASN A 195 13.309 3.479 1.772 1.00 0.00 N ATOM 88 CA ASN A 195 13.703 2.064 2.017 1.00 0.00 C ATOM 89 C ASN A 195 14.673 1.593 0.930 1.00 0.00 C ATOM 90 O ASN A 195 14.271 1.235 -0.160 1.00 0.00 O ATOM 91 CB ASN A 195 12.449 1.188 1.989 1.00 0.00 C ATOM 92 CG ASN A 195 11.206 2.074 2.096 1.00 0.00 C ATOM 93 OD1 ASN A 195 10.911 2.601 3.150 1.00 0.00 O ATOM 94 ND2 ASN A 195 10.459 2.260 1.042 1.00 0.00 N ATOM 0 H ASN A 195 13.348 3.781 0.799 1.00 0.00 H new ATOM 0 HA ASN A 195 14.193 1.988 2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 195 12.418 0.609 1.066 1.00 0.00 H new ATOM 0 HB3 ASN A 195 12.472 0.474 2.813 1.00 0.00 H new ATOM 0 HD21 ASN A 195 9.628 2.848 1.103 1.00 0.00 H new ATOM 0 HD22 ASN A 195 10.707 1.818 0.157 1.00 0.00 H new ATOM 101 N CYS A 196 15.947 1.579 1.217 1.00 0.00 N ATOM 102 CA CYS A 196 16.934 1.115 0.200 1.00 0.00 C ATOM 103 C CYS A 196 17.939 0.168 0.858 1.00 0.00 C ATOM 104 O CYS A 196 18.466 0.445 1.917 1.00 0.00 O ATOM 105 CB CYS A 196 17.681 2.315 -0.389 1.00 0.00 C ATOM 106 SG CYS A 196 16.923 2.783 -1.966 1.00 0.00 S ATOM 0 H CYS A 196 16.346 1.868 2.110 1.00 0.00 H new ATOM 0 HA CYS A 196 16.405 0.594 -0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 196 17.648 3.154 0.306 1.00 0.00 H new ATOM 0 HB3 CYS A 196 18.732 2.066 -0.538 1.00 0.00 H new ATOM 111 N GLU A 197 18.217 -0.943 0.235 1.00 0.00 N ATOM 112 CA GLU A 197 19.195 -1.900 0.818 1.00 0.00 C ATOM 113 C GLU A 197 20.019 -2.521 -0.312 1.00 0.00 C ATOM 114 O GLU A 197 19.516 -3.271 -1.123 1.00 0.00 O ATOM 115 CB GLU A 197 18.445 -2.996 1.578 1.00 0.00 C ATOM 116 CG GLU A 197 17.599 -2.360 2.683 1.00 0.00 C ATOM 117 CD GLU A 197 16.942 -3.455 3.525 1.00 0.00 C ATOM 118 OE1 GLU A 197 16.331 -3.117 4.525 1.00 0.00 O ATOM 119 OE2 GLU A 197 17.059 -4.612 3.154 1.00 0.00 O ATOM 0 H GLU A 197 17.808 -1.229 -0.654 1.00 0.00 H new ATOM 0 HA GLU A 197 19.858 -1.379 1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 197 17.808 -3.557 0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 197 19.152 -3.705 2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 197 18.224 -1.728 3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 197 16.835 -1.717 2.245 1.00 0.00 H new ATOM 127 N ASN A 198 21.281 -2.204 -0.374 1.00 0.00 N ATOM 128 CA ASN A 198 22.141 -2.763 -1.452 1.00 0.00 C ATOM 129 C ASN A 198 21.553 -2.387 -2.817 1.00 0.00 C ATOM 130 O ASN A 198 21.762 -3.067 -3.802 1.00 0.00 O ATOM 131 CB ASN A 198 22.193 -4.286 -1.319 1.00 0.00 C ATOM 132 CG ASN A 198 23.425 -4.821 -2.053 1.00 0.00 C ATOM 133 OD1 ASN A 198 24.188 -4.064 -2.618 1.00 0.00 O ATOM 134 ND2 ASN A 198 23.653 -6.106 -2.068 1.00 0.00 N ATOM 0 H ASN A 198 21.756 -1.579 0.278 1.00 0.00 H new ATOM 0 HA ASN A 198 23.149 -2.356 -1.366 1.00 0.00 H new ATOM 0 HB2 ASN A 198 22.232 -4.569 -0.267 1.00 0.00 H new ATOM 0 HB3 ASN A 198 21.288 -4.729 -1.735 1.00 0.00 H new ATOM 0 HD21 ASN A 198 24.471 -6.473 -2.554 1.00 0.00 H new ATOM 0 HD22 ASN A 198 23.013 -6.743 -1.594 1.00 0.00 H new ATOM 141 N GLY A 199 20.824 -1.303 -2.882 1.00 0.00 N ATOM 142 CA GLY A 199 20.229 -0.875 -4.181 1.00 0.00 C ATOM 143 C GLY A 199 18.957 -1.677 -4.460 1.00 0.00 C ATOM 144 O GLY A 199 18.434 -1.662 -5.557 1.00 0.00 O ATOM 0 H GLY A 199 20.615 -0.695 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 199 19.999 0.190 -4.152 1.00 0.00 H new ATOM 0 HA3 GLY A 199 20.948 -1.024 -4.987 1.00 0.00 H new ATOM 148 N LEU A 200 18.457 -2.380 -3.481 1.00 0.00 N ATOM 149 CA LEU A 200 17.222 -3.187 -3.697 1.00 0.00 C ATOM 150 C LEU A 200 16.065 -2.589 -2.894 1.00 0.00 C ATOM 151 O LEU A 200 16.210 -2.260 -1.732 1.00 0.00 O ATOM 152 CB LEU A 200 17.469 -4.624 -3.236 1.00 0.00 C ATOM 153 CG LEU A 200 16.268 -5.494 -3.608 1.00 0.00 C ATOM 154 CD1 LEU A 200 16.151 -5.577 -5.131 1.00 0.00 C ATOM 155 CD2 LEU A 200 16.458 -6.901 -3.034 1.00 0.00 C ATOM 0 H LEU A 200 18.850 -2.431 -2.541 1.00 0.00 H new ATOM 0 HA LEU A 200 16.967 -3.179 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 200 18.373 -5.016 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 200 17.629 -4.649 -2.158 1.00 0.00 H new ATOM 0 HG LEU A 200 15.360 -5.054 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 200 15.295 -6.197 -5.397 1.00 0.00 H new ATOM 0 HD12 LEU A 200 16.015 -4.576 -5.541 1.00 0.00 H new ATOM 0 HD13 LEU A 200 17.059 -6.017 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 200 15.602 -7.521 -3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 200 17.366 -7.342 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 200 16.541 -6.843 -1.949 1.00 0.00 H new ATOM 167 N CYS A 201 14.915 -2.452 -3.499 1.00 0.00 N ATOM 168 CA CYS A 201 13.752 -1.882 -2.760 1.00 0.00 C ATOM 169 C CYS A 201 13.268 -2.899 -1.725 1.00 0.00 C ATOM 170 O CYS A 201 13.359 -4.094 -1.925 1.00 0.00 O ATOM 171 CB CYS A 201 12.618 -1.581 -3.742 1.00 0.00 C ATOM 172 SG CYS A 201 11.398 -0.507 -2.944 1.00 0.00 S ATOM 0 H CYS A 201 14.731 -2.709 -4.469 1.00 0.00 H new ATOM 0 HA CYS A 201 14.053 -0.961 -2.261 1.00 0.00 H new ATOM 0 HB2 CYS A 201 13.015 -1.098 -4.635 1.00 0.00 H new ATOM 0 HB3 CYS A 201 12.146 -2.509 -4.064 1.00 0.00 H new ATOM 177 N THR A 202 12.756 -2.439 -0.615 1.00 0.00 N ATOM 178 CA THR A 202 12.272 -3.382 0.432 1.00 0.00 C ATOM 179 C THR A 202 10.741 -3.409 0.433 1.00 0.00 C ATOM 180 O THR A 202 10.119 -3.768 1.415 1.00 0.00 O ATOM 181 CB THR A 202 12.777 -2.929 1.800 1.00 0.00 C ATOM 182 OG1 THR A 202 12.186 -1.682 2.131 1.00 0.00 O ATOM 183 CG2 THR A 202 14.299 -2.779 1.764 1.00 0.00 C ATOM 0 H THR A 202 12.652 -1.450 -0.389 1.00 0.00 H new ATOM 0 HA THR A 202 12.650 -4.382 0.219 1.00 0.00 H new ATOM 0 HB THR A 202 12.506 -3.672 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 202 12.153 -1.584 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 202 14.656 -2.456 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 202 14.753 -3.737 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 202 14.574 -2.037 1.014 1.00 0.00 H new ATOM 191 N ASN A 203 10.129 -3.028 -0.654 1.00 0.00 N ATOM 192 CA ASN A 203 8.640 -3.029 -0.710 1.00 0.00 C ATOM 193 C ASN A 203 8.133 -4.470 -0.773 1.00 0.00 C ATOM 194 O ASN A 203 8.462 -5.216 -1.675 1.00 0.00 O ATOM 195 CB ASN A 203 8.181 -2.267 -1.951 1.00 0.00 C ATOM 196 CG ASN A 203 6.674 -2.015 -1.872 1.00 0.00 C ATOM 197 OD1 ASN A 203 5.926 -2.272 -2.910 1.00 0.00 O flip ATOM 198 ND2 ASN A 203 6.172 -1.579 -0.855 1.00 0.00 N flip ATOM 0 H ASN A 203 10.595 -2.716 -1.506 1.00 0.00 H new ATOM 0 HA ASN A 203 8.239 -2.546 0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 203 8.715 -1.320 -2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 203 8.418 -2.838 -2.849 1.00 0.00 H new ATOM 0 HD21 ASN A 203 6.756 -1.378 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 203 5.166 -1.414 -0.813 1.00 0.00 H new ATOM 239 N PHE A 207 2.605 -3.190 -5.570 1.00 0.00 N ATOM 240 CA PHE A 207 2.448 -1.751 -5.944 1.00 0.00 C ATOM 241 C PHE A 207 2.758 -0.848 -4.751 1.00 0.00 C ATOM 242 O PHE A 207 2.678 -1.253 -3.608 1.00 0.00 O ATOM 243 CB PHE A 207 1.006 -1.491 -6.378 1.00 0.00 C ATOM 244 CG PHE A 207 0.348 -2.795 -6.735 1.00 0.00 C ATOM 245 CD1 PHE A 207 0.752 -3.492 -7.876 1.00 0.00 C ATOM 246 CD2 PHE A 207 -0.672 -3.302 -5.925 1.00 0.00 C ATOM 247 CE1 PHE A 207 0.139 -4.706 -8.207 1.00 0.00 C ATOM 248 CE2 PHE A 207 -1.282 -4.513 -6.254 1.00 0.00 C ATOM 249 CZ PHE A 207 -0.882 -5.215 -7.395 1.00 0.00 C ATOM 0 HA PHE A 207 3.140 -1.532 -6.757 1.00 0.00 H new ATOM 0 HB2 PHE A 207 0.456 -1.001 -5.575 1.00 0.00 H new ATOM 0 HB3 PHE A 207 0.988 -0.816 -7.234 1.00 0.00 H new ATOM 0 HD1 PHE A 207 1.537 -3.094 -8.502 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -0.987 -2.758 -5.047 1.00 0.00 H new ATOM 0 HE1 PHE A 207 0.453 -5.249 -9.086 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.066 -4.909 -5.625 1.00 0.00 H new ATOM 0 HZ PHE A 207 -1.360 -6.149 -7.650 1.00 0.00 H new ATOM 259 N GLU A 208 3.087 0.386 -5.019 1.00 0.00 N ATOM 260 CA GLU A 208 3.376 1.345 -3.920 1.00 0.00 C ATOM 261 C GLU A 208 2.495 2.579 -4.115 1.00 0.00 C ATOM 262 O GLU A 208 2.220 2.982 -5.226 1.00 0.00 O ATOM 263 CB GLU A 208 4.847 1.755 -3.965 1.00 0.00 C ATOM 264 CG GLU A 208 5.725 0.519 -3.790 1.00 0.00 C ATOM 265 CD GLU A 208 7.193 0.940 -3.765 1.00 0.00 C ATOM 266 OE1 GLU A 208 8.031 0.087 -3.529 1.00 0.00 O ATOM 267 OE2 GLU A 208 7.456 2.110 -3.985 1.00 0.00 O ATOM 0 H GLU A 208 3.168 0.772 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 208 3.169 0.881 -2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 208 5.071 2.242 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 208 5.058 2.479 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 208 5.467 0.004 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 208 5.550 -0.183 -4.605 1.00 0.00 H new ATOM 275 N ASP A 209 2.044 3.185 -3.052 1.00 0.00 N ATOM 276 CA ASP A 209 1.181 4.387 -3.208 1.00 0.00 C ATOM 277 C ASP A 209 1.938 5.443 -4.003 1.00 0.00 C ATOM 278 O ASP A 209 2.869 6.052 -3.519 1.00 0.00 O ATOM 279 CB ASP A 209 0.813 4.948 -1.832 1.00 0.00 C ATOM 280 CG ASP A 209 1.904 4.590 -0.821 1.00 0.00 C ATOM 281 OD1 ASP A 209 1.614 4.612 0.364 1.00 0.00 O ATOM 282 OD2 ASP A 209 3.010 4.302 -1.248 1.00 0.00 O ATOM 0 H ASP A 209 2.234 2.903 -2.090 1.00 0.00 H new ATOM 0 HA ASP A 209 0.267 4.112 -3.734 1.00 0.00 H new ATOM 0 HB2 ASP A 209 0.697 6.030 -1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 209 -0.145 4.542 -1.507 1.00 0.00 H new ATOM 288 N LEU A 210 1.546 5.663 -5.225 1.00 0.00 N ATOM 289 CA LEU A 210 2.245 6.678 -6.056 1.00 0.00 C ATOM 290 C LEU A 210 2.105 8.048 -5.389 1.00 0.00 C ATOM 291 O LEU A 210 2.931 8.922 -5.562 1.00 0.00 O ATOM 292 CB LEU A 210 1.630 6.691 -7.459 1.00 0.00 C ATOM 293 CG LEU A 210 1.744 5.294 -8.083 1.00 0.00 C ATOM 294 CD1 LEU A 210 1.344 5.355 -9.558 1.00 0.00 C ATOM 295 CD2 LEU A 210 3.186 4.795 -7.973 1.00 0.00 C ATOM 0 H LEU A 210 0.772 5.183 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 210 3.304 6.435 -6.143 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.584 6.992 -7.406 1.00 0.00 H new ATOM 0 HB3 LEU A 210 2.141 7.423 -8.085 1.00 0.00 H new ATOM 0 HG LEU A 210 1.081 4.611 -7.552 1.00 0.00 H new ATOM 0 HD11 LEU A 210 1.426 4.361 -9.999 1.00 0.00 H new ATOM 0 HD12 LEU A 210 0.315 5.705 -9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 210 2.005 6.042 -10.086 1.00 0.00 H new ATOM 0 HD21 LEU A 210 3.262 3.803 -8.417 1.00 0.00 H new ATOM 0 HD22 LEU A 210 3.849 5.481 -8.500 1.00 0.00 H new ATOM 0 HD23 LEU A 210 3.475 4.746 -6.923 1.00 0.00 H new ATOM 307 N LEU A 211 1.070 8.236 -4.612 1.00 0.00 N ATOM 308 CA LEU A 211 0.885 9.542 -3.914 1.00 0.00 C ATOM 309 C LEU A 211 1.115 9.351 -2.413 1.00 0.00 C ATOM 310 O LEU A 211 0.757 8.338 -1.842 1.00 0.00 O ATOM 311 CB LEU A 211 -0.535 10.060 -4.153 1.00 0.00 C ATOM 312 CG LEU A 211 -0.766 10.246 -5.653 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.231 10.606 -5.906 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.130 11.374 -6.175 1.00 0.00 C ATOM 0 H LEU A 211 0.345 7.541 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 211 1.600 10.266 -4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.263 9.357 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.681 11.006 -3.632 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.524 9.318 -6.171 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.394 10.738 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.871 9.804 -5.538 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.473 11.532 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -0.036 11.505 -7.244 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -0.111 12.301 -5.654 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.175 11.120 -5.999 1.00 0.00 H new ATOM 326 N SER A 212 1.712 10.315 -1.769 1.00 0.00 N ATOM 327 CA SER A 212 1.965 10.192 -0.306 1.00 0.00 C ATOM 328 C SER A 212 0.701 10.582 0.458 1.00 0.00 C ATOM 329 O SER A 212 0.651 10.523 1.669 1.00 0.00 O ATOM 330 CB SER A 212 3.109 11.124 0.089 1.00 0.00 C ATOM 331 OG SER A 212 2.680 12.472 -0.039 1.00 0.00 O ATOM 0 H SER A 212 2.036 11.184 -2.193 1.00 0.00 H new ATOM 0 HA SER A 212 2.234 9.164 -0.064 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.419 10.924 1.115 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.976 10.944 -0.546 1.00 0.00 H new ATOM 0 HG SER A 212 3.411 13.073 0.215 1.00 0.00 H new ATOM 337 N ASN A 213 -0.320 10.979 -0.249 1.00 0.00 N ATOM 338 CA ASN A 213 -1.584 11.374 0.424 1.00 0.00 C ATOM 339 C ASN A 213 -2.698 10.419 -0.001 1.00 0.00 C ATOM 340 O ASN A 213 -3.867 10.751 0.026 1.00 0.00 O ATOM 341 CB ASN A 213 -1.937 12.807 0.026 1.00 0.00 C ATOM 342 CG ASN A 213 -0.922 13.763 0.657 1.00 0.00 C ATOM 343 OD1 ASN A 213 -0.291 13.432 1.641 1.00 0.00 O ATOM 344 ND2 ASN A 213 -0.731 14.938 0.127 1.00 0.00 N ATOM 0 H ASN A 213 -0.331 11.046 -1.267 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.465 11.323 1.506 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -1.927 12.910 -1.059 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -2.945 13.053 0.360 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -0.052 15.579 0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -1.260 15.217 -0.699 1.00 0.00 H new ATOM 351 N CYS A 214 -2.339 9.230 -0.396 1.00 0.00 N ATOM 352 CA CYS A 214 -3.367 8.245 -0.827 1.00 0.00 C ATOM 353 C CYS A 214 -4.375 8.021 0.295 1.00 0.00 C ATOM 354 O CYS A 214 -5.569 8.012 0.071 1.00 0.00 O ATOM 355 CB CYS A 214 -2.681 6.929 -1.179 1.00 0.00 C ATOM 356 SG CYS A 214 -2.212 6.974 -2.920 1.00 0.00 S ATOM 0 H CYS A 214 -1.376 8.898 -0.439 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.895 8.627 -1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.801 6.782 -0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.351 6.090 -0.989 1.00 0.00 H new ATOM 361 N GLU A 215 -3.919 7.863 1.505 1.00 0.00 N ATOM 362 CA GLU A 215 -4.883 7.665 2.616 1.00 0.00 C ATOM 363 C GLU A 215 -5.829 8.863 2.630 1.00 0.00 C ATOM 364 O GLU A 215 -7.009 8.739 2.885 1.00 0.00 O ATOM 365 CB GLU A 215 -4.135 7.584 3.948 1.00 0.00 C ATOM 366 CG GLU A 215 -5.122 7.242 5.068 1.00 0.00 C ATOM 367 CD GLU A 215 -4.406 7.305 6.420 1.00 0.00 C ATOM 368 OE1 GLU A 215 -3.213 7.559 6.427 1.00 0.00 O ATOM 369 OE2 GLU A 215 -5.064 7.101 7.426 1.00 0.00 O ATOM 0 H GLU A 215 -2.934 7.862 1.769 1.00 0.00 H new ATOM 0 HA GLU A 215 -5.439 6.738 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -3.354 6.826 3.893 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.643 8.534 4.159 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.959 7.941 5.055 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -5.536 6.246 4.910 1.00 0.00 H new ATOM 377 N SER A 216 -5.313 10.027 2.336 1.00 0.00 N ATOM 378 CA SER A 216 -6.178 11.234 2.304 1.00 0.00 C ATOM 379 C SER A 216 -7.222 11.051 1.205 1.00 0.00 C ATOM 380 O SER A 216 -8.402 11.263 1.410 1.00 0.00 O ATOM 381 CB SER A 216 -5.328 12.467 2.000 1.00 0.00 C ATOM 382 OG SER A 216 -6.079 13.638 2.290 1.00 0.00 O ATOM 0 H SER A 216 -4.330 10.190 2.117 1.00 0.00 H new ATOM 0 HA SER A 216 -6.667 11.369 3.269 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.415 12.450 2.596 1.00 0.00 H new ATOM 0 HB3 SER A 216 -5.025 12.465 0.953 1.00 0.00 H new ATOM 0 HG SER A 216 -5.536 14.431 2.098 1.00 0.00 H new ATOM 388 N LEU A 217 -6.797 10.633 0.042 1.00 0.00 N ATOM 389 CA LEU A 217 -7.763 10.408 -1.066 1.00 0.00 C ATOM 390 C LEU A 217 -8.713 9.292 -0.646 1.00 0.00 C ATOM 391 O LEU A 217 -9.883 9.295 -0.964 1.00 0.00 O ATOM 392 CB LEU A 217 -7.014 9.989 -2.336 1.00 0.00 C ATOM 393 CG LEU A 217 -5.971 11.048 -2.695 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.318 10.684 -4.029 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.647 12.416 -2.818 1.00 0.00 C ATOM 0 H LEU A 217 -5.822 10.438 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.316 11.325 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.529 9.025 -2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.717 9.864 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.212 11.088 -1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.574 11.437 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.835 9.711 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -6.079 10.644 -4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -5.901 13.169 -3.074 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.407 12.378 -3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.115 12.677 -1.869 1.00 0.00 H new ATOM 407 N LYS A 218 -8.205 8.339 0.081 1.00 0.00 N ATOM 408 CA LYS A 218 -9.053 7.212 0.545 1.00 0.00 C ATOM 409 C LYS A 218 -10.230 7.758 1.351 1.00 0.00 C ATOM 410 O LYS A 218 -11.377 7.460 1.084 1.00 0.00 O ATOM 411 CB LYS A 218 -8.206 6.317 1.439 1.00 0.00 C ATOM 412 CG LYS A 218 -8.924 4.989 1.659 1.00 0.00 C ATOM 413 CD LYS A 218 -7.907 3.942 2.102 1.00 0.00 C ATOM 414 CE LYS A 218 -8.526 2.551 1.988 1.00 0.00 C ATOM 415 NZ LYS A 218 -9.039 2.131 3.319 1.00 0.00 N ATOM 0 H LYS A 218 -7.230 8.293 0.376 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.433 6.650 -0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.232 6.144 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -8.025 6.807 2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.701 5.102 2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -9.416 4.670 0.740 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -7.011 4.005 1.484 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -7.599 4.131 3.130 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -9.337 2.560 1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -7.783 1.838 1.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -9.461 1.184 3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -8.255 2.108 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -9.760 2.807 3.642 1.00 0.00 H new ATOM 429 N THR A 219 -9.945 8.560 2.335 1.00 0.00 N ATOM 430 CA THR A 219 -11.032 9.138 3.171 1.00 0.00 C ATOM 431 C THR A 219 -11.849 10.145 2.355 1.00 0.00 C ATOM 432 O THR A 219 -13.045 10.273 2.533 1.00 0.00 O ATOM 433 CB THR A 219 -10.415 9.838 4.383 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.583 8.922 5.082 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.528 10.331 5.307 1.00 0.00 C ATOM 0 H THR A 219 -9.001 8.842 2.598 1.00 0.00 H new ATOM 0 HA THR A 219 -11.693 8.338 3.504 1.00 0.00 H new ATOM 0 HB THR A 219 -9.819 10.688 4.051 1.00 0.00 H new ATOM 0 HG1 THR A 219 -9.185 9.368 5.858 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.089 10.830 6.171 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.165 11.032 4.768 1.00 0.00 H new ATOM 0 HG23 THR A 219 -12.125 9.483 5.642 1.00 0.00 H new ATOM 443 N SER A 220 -11.218 10.872 1.472 1.00 0.00 N ATOM 444 CA SER A 220 -11.972 11.875 0.664 1.00 0.00 C ATOM 445 C SER A 220 -12.589 11.201 -0.562 1.00 0.00 C ATOM 446 O SER A 220 -13.518 11.708 -1.158 1.00 0.00 O ATOM 447 CB SER A 220 -11.022 12.982 0.208 1.00 0.00 C ATOM 448 OG SER A 220 -10.193 12.486 -0.836 1.00 0.00 O ATOM 0 H SER A 220 -10.219 10.816 1.276 1.00 0.00 H new ATOM 0 HA SER A 220 -12.766 12.301 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 220 -11.590 13.844 -0.141 1.00 0.00 H new ATOM 0 HB3 SER A 220 -10.411 13.320 1.044 1.00 0.00 H new ATOM 0 HG SER A 220 -9.387 13.040 -0.905 1.00 0.00 H new ATOM 454 N ALA A 221 -12.082 10.063 -0.941 1.00 0.00 N ATOM 455 CA ALA A 221 -12.638 9.355 -2.126 1.00 0.00 C ATOM 456 C ALA A 221 -13.003 7.925 -1.728 1.00 0.00 C ATOM 457 O ALA A 221 -14.139 7.625 -1.416 1.00 0.00 O ATOM 458 CB ALA A 221 -11.594 9.329 -3.248 1.00 0.00 C ATOM 0 H ALA A 221 -11.304 9.591 -0.480 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.528 9.875 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -12.004 8.810 -4.114 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.334 10.350 -3.526 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.701 8.808 -2.902 1.00 0.00 H new ATOM 464 N GLY A 222 -12.047 7.041 -1.741 1.00 0.00 N ATOM 465 CA GLY A 222 -12.326 5.631 -1.366 1.00 0.00 C ATOM 466 C GLY A 222 -11.487 4.707 -2.244 1.00 0.00 C ATOM 467 O GLY A 222 -11.322 4.937 -3.425 1.00 0.00 O ATOM 0 H GLY A 222 -11.079 7.237 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.090 5.468 -0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.386 5.411 -1.493 1.00 0.00 H new ATOM 471 N CYS A 223 -10.952 3.664 -1.677 1.00 0.00 N ATOM 472 CA CYS A 223 -10.124 2.730 -2.479 1.00 0.00 C ATOM 473 C CYS A 223 -10.946 2.183 -3.640 1.00 0.00 C ATOM 474 O CYS A 223 -10.467 2.056 -4.750 1.00 0.00 O ATOM 475 CB CYS A 223 -9.650 1.587 -1.588 1.00 0.00 C ATOM 476 SG CYS A 223 -8.030 2.020 -0.927 1.00 0.00 S ATOM 0 H CYS A 223 -11.054 3.419 -0.692 1.00 0.00 H new ATOM 0 HA CYS A 223 -9.258 3.257 -2.879 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -10.359 1.419 -0.777 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.592 0.660 -2.158 1.00 0.00 H new ATOM 481 N LYS A 224 -12.185 1.872 -3.401 1.00 0.00 N ATOM 482 CA LYS A 224 -13.039 1.350 -4.496 1.00 0.00 C ATOM 483 C LYS A 224 -13.015 2.348 -5.652 1.00 0.00 C ATOM 484 O LYS A 224 -13.257 2.005 -6.792 1.00 0.00 O ATOM 485 CB LYS A 224 -14.473 1.184 -3.994 1.00 0.00 C ATOM 486 CG LYS A 224 -15.300 0.468 -5.061 1.00 0.00 C ATOM 487 CD LYS A 224 -16.747 0.336 -4.586 1.00 0.00 C ATOM 488 CE LYS A 224 -17.535 -0.508 -5.589 1.00 0.00 C ATOM 489 NZ LYS A 224 -17.017 -1.905 -5.573 1.00 0.00 N ATOM 0 H LYS A 224 -12.643 1.957 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 224 -12.665 0.382 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -14.482 0.613 -3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -14.908 2.158 -3.773 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -15.264 1.024 -5.998 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -14.880 -0.518 -5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -16.777 -0.128 -3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -17.201 1.322 -4.488 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -18.595 -0.498 -5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -17.442 -0.085 -6.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -17.751 -2.552 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -16.176 -1.971 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -16.761 -2.169 -4.600 1.00 0.00 H new ATOM 503 N HIS A 225 -12.722 3.587 -5.362 1.00 0.00 N ATOM 504 CA HIS A 225 -12.679 4.615 -6.439 1.00 0.00 C ATOM 505 C HIS A 225 -11.545 4.272 -7.411 1.00 0.00 C ATOM 506 O HIS A 225 -10.487 3.827 -7.013 1.00 0.00 O ATOM 507 CB HIS A 225 -12.437 5.989 -5.809 1.00 0.00 C ATOM 508 CG HIS A 225 -12.631 7.060 -6.844 1.00 0.00 C ATOM 509 ND1 HIS A 225 -12.084 6.964 -8.114 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.306 8.256 -6.813 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.435 8.074 -8.789 1.00 0.00 C ATOM 512 NE2 HIS A 225 -13.179 8.891 -8.041 1.00 0.00 N ATOM 0 H HIS A 225 -12.511 3.931 -4.425 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.624 4.633 -6.983 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -13.124 6.145 -4.977 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.427 6.041 -5.402 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -13.851 8.643 -5.965 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.150 8.278 -9.810 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -13.572 9.792 -8.314 1.00 0.00 H new ATOM 521 N GLU A 226 -11.771 4.452 -8.684 1.00 0.00 N ATOM 522 CA GLU A 226 -10.723 4.113 -9.689 1.00 0.00 C ATOM 523 C GLU A 226 -9.501 5.027 -9.533 1.00 0.00 C ATOM 524 O GLU A 226 -8.379 4.613 -9.753 1.00 0.00 O ATOM 525 CB GLU A 226 -11.306 4.269 -11.094 1.00 0.00 C ATOM 526 CG GLU A 226 -12.440 3.258 -11.285 1.00 0.00 C ATOM 527 CD GLU A 226 -12.973 3.347 -12.716 1.00 0.00 C ATOM 528 OE1 GLU A 226 -12.662 4.319 -13.382 1.00 0.00 O ATOM 529 OE2 GLU A 226 -13.679 2.438 -13.122 1.00 0.00 O ATOM 0 H GLU A 226 -12.639 4.820 -9.073 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.403 3.083 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -11.680 5.283 -11.235 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -10.530 4.108 -11.842 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -12.079 2.249 -11.083 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -13.242 3.458 -10.575 1.00 0.00 H new ATOM 537 N LEU A 227 -9.698 6.264 -9.164 1.00 0.00 N ATOM 538 CA LEU A 227 -8.530 7.181 -9.009 1.00 0.00 C ATOM 539 C LEU A 227 -7.489 6.530 -8.098 1.00 0.00 C ATOM 540 O LEU A 227 -6.330 6.435 -8.439 1.00 0.00 O ATOM 541 CB LEU A 227 -8.990 8.500 -8.388 1.00 0.00 C ATOM 542 CG LEU A 227 -9.441 9.456 -9.495 1.00 0.00 C ATOM 543 CD1 LEU A 227 -10.385 10.509 -8.909 1.00 0.00 C ATOM 544 CD2 LEU A 227 -8.219 10.157 -10.090 1.00 0.00 C ATOM 0 H LEU A 227 -10.609 6.678 -8.964 1.00 0.00 H new ATOM 0 HA LEU A 227 -8.092 7.374 -9.988 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.809 8.320 -7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -8.178 8.947 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 227 -9.957 8.891 -10.271 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -10.706 11.189 -9.698 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -11.257 10.017 -8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -9.866 11.072 -8.133 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -8.538 10.838 -10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -7.707 10.720 -9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -7.540 9.413 -10.506 1.00 0.00 H new ATOM 556 N LEU A 228 -7.900 6.067 -6.953 1.00 0.00 N ATOM 557 CA LEU A 228 -6.940 5.404 -6.026 1.00 0.00 C ATOM 558 C LEU A 228 -6.455 4.110 -6.665 1.00 0.00 C ATOM 559 O LEU A 228 -5.386 3.613 -6.370 1.00 0.00 O ATOM 560 CB LEU A 228 -7.638 5.087 -4.699 1.00 0.00 C ATOM 561 CG LEU A 228 -7.585 6.308 -3.777 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.694 7.289 -4.152 1.00 0.00 C ATOM 563 CD2 LEU A 228 -7.777 5.853 -2.330 1.00 0.00 C ATOM 0 H LEU A 228 -8.862 6.118 -6.617 1.00 0.00 H new ATOM 0 HA LEU A 228 -6.095 6.066 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.674 4.804 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -7.155 4.236 -4.218 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.619 6.802 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.651 8.156 -3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.561 7.612 -5.185 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.663 6.801 -4.047 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -7.740 6.719 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -8.744 5.360 -2.229 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -6.984 5.156 -2.060 1.00 0.00 H new ATOM 575 N LYS A 229 -7.257 3.551 -7.519 1.00 0.00 N ATOM 576 CA LYS A 229 -6.892 2.273 -8.173 1.00 0.00 C ATOM 577 C LYS A 229 -5.740 2.472 -9.162 1.00 0.00 C ATOM 578 O LYS A 229 -5.206 1.515 -9.684 1.00 0.00 O ATOM 579 CB LYS A 229 -8.110 1.734 -8.917 1.00 0.00 C ATOM 580 CG LYS A 229 -7.946 0.232 -9.146 1.00 0.00 C ATOM 581 CD LYS A 229 -8.098 -0.501 -7.810 1.00 0.00 C ATOM 582 CE LYS A 229 -9.111 -1.635 -7.966 1.00 0.00 C ATOM 583 NZ LYS A 229 -8.567 -2.665 -8.894 1.00 0.00 N ATOM 0 H LYS A 229 -8.162 3.931 -7.795 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.569 1.567 -7.408 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -9.015 1.928 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -8.223 2.248 -9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.693 -0.123 -9.856 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -6.968 0.023 -9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -7.135 -0.900 -7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.429 0.193 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -9.325 -2.082 -6.995 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -10.053 -1.245 -8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -9.183 -2.741 -9.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -7.610 -2.391 -9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -8.527 -3.584 -8.408 1.00 0.00 H new ATOM 597 N THR A 230 -5.361 3.689 -9.457 1.00 0.00 N ATOM 598 CA THR A 230 -4.254 3.881 -10.442 1.00 0.00 C ATOM 599 C THR A 230 -2.978 4.403 -9.754 1.00 0.00 C ATOM 600 O THR A 230 -1.885 4.051 -10.150 1.00 0.00 O ATOM 601 CB THR A 230 -4.710 4.834 -11.555 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.994 4.543 -12.746 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.461 6.283 -11.157 1.00 0.00 C ATOM 0 H THR A 230 -5.761 4.543 -9.068 1.00 0.00 H new ATOM 0 HA THR A 230 -4.010 2.915 -10.884 1.00 0.00 H new ATOM 0 HB THR A 230 -5.779 4.695 -11.719 1.00 0.00 H new ATOM 0 HG1 THR A 230 -4.285 5.149 -13.459 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.791 6.943 -11.960 1.00 0.00 H new ATOM 0 HG22 THR A 230 -5.017 6.511 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.396 6.433 -10.978 1.00 0.00 H new ATOM 611 N LYS A 231 -3.090 5.206 -8.725 1.00 0.00 N ATOM 612 CA LYS A 231 -1.849 5.690 -8.034 1.00 0.00 C ATOM 613 C LYS A 231 -1.837 5.159 -6.600 1.00 0.00 C ATOM 614 O LYS A 231 -0.795 4.991 -5.997 1.00 0.00 O ATOM 615 CB LYS A 231 -1.786 7.225 -7.997 1.00 0.00 C ATOM 616 CG LYS A 231 -3.151 7.833 -8.285 1.00 0.00 C ATOM 617 CD LYS A 231 -4.112 7.482 -7.155 1.00 0.00 C ATOM 618 CE LYS A 231 -5.276 8.476 -7.157 1.00 0.00 C ATOM 619 NZ LYS A 231 -5.652 8.799 -8.561 1.00 0.00 N ATOM 0 H LYS A 231 -3.970 5.544 -8.337 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.986 5.325 -8.590 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.436 7.555 -7.019 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -1.063 7.581 -8.731 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.066 8.915 -8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.535 7.458 -9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.486 6.466 -7.282 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.593 7.514 -6.197 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -6.130 8.053 -6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -4.992 9.385 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -6.486 9.421 -8.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.859 9.281 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -5.874 7.921 -9.072 1.00 0.00 H new ATOM 633 N CYS A 232 -2.989 4.895 -6.050 1.00 0.00 N ATOM 634 CA CYS A 232 -3.056 4.379 -4.655 1.00 0.00 C ATOM 635 C CYS A 232 -3.230 2.861 -4.679 1.00 0.00 C ATOM 636 O CYS A 232 -3.675 2.255 -3.725 1.00 0.00 O ATOM 637 CB CYS A 232 -4.241 5.019 -3.940 1.00 0.00 C ATOM 638 SG CYS A 232 -3.983 6.803 -3.869 1.00 0.00 S ATOM 0 H CYS A 232 -3.892 5.015 -6.509 1.00 0.00 H new ATOM 0 HA CYS A 232 -2.134 4.626 -4.128 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -5.167 4.792 -4.468 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.340 4.612 -2.934 1.00 0.00 H new ATOM 643 N GLN A 233 -2.880 2.249 -5.769 1.00 0.00 N ATOM 644 CA GLN A 233 -3.018 0.770 -5.877 1.00 0.00 C ATOM 645 C GLN A 233 -2.448 0.109 -4.622 1.00 0.00 C ATOM 646 O GLN A 233 -2.923 -0.917 -4.183 1.00 0.00 O ATOM 647 CB GLN A 233 -2.243 0.305 -7.108 1.00 0.00 C ATOM 648 CG GLN A 233 -2.913 0.880 -8.356 1.00 0.00 C ATOM 649 CD GLN A 233 -2.057 0.594 -9.590 1.00 0.00 C ATOM 650 OE1 GLN A 233 -0.944 0.119 -9.478 1.00 0.00 O ATOM 651 NE2 GLN A 233 -2.535 0.873 -10.773 1.00 0.00 N ATOM 0 H GLN A 233 -2.502 2.709 -6.597 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.068 0.494 -5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.206 0.637 -7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.227 -0.784 -7.155 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -3.903 0.442 -8.481 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.052 1.955 -8.241 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.469 1.272 -10.864 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -1.974 0.692 -11.605 1.00 0.00 H new ATOM 660 N ALA A 234 -1.439 0.685 -4.037 1.00 0.00 N ATOM 661 CA ALA A 234 -0.852 0.076 -2.814 1.00 0.00 C ATOM 662 C ALA A 234 -1.754 0.347 -1.613 1.00 0.00 C ATOM 663 O ALA A 234 -2.049 -0.535 -0.834 1.00 0.00 O ATOM 664 CB ALA A 234 0.523 0.679 -2.566 1.00 0.00 C ATOM 0 H ALA A 234 -0.996 1.548 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 234 -0.762 -1.001 -2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 234 0.958 0.236 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.168 0.477 -3.421 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.429 1.756 -2.429 1.00 0.00 H new ATOM 670 N THR A 235 -2.202 1.558 -1.456 1.00 0.00 N ATOM 671 CA THR A 235 -3.090 1.869 -0.307 1.00 0.00 C ATOM 672 C THR A 235 -4.380 1.068 -0.465 1.00 0.00 C ATOM 673 O THR A 235 -5.169 0.948 0.451 1.00 0.00 O ATOM 674 CB THR A 235 -3.391 3.372 -0.291 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.417 4.036 0.499 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.784 3.631 0.291 1.00 0.00 C ATOM 0 H THR A 235 -1.992 2.344 -2.072 1.00 0.00 H new ATOM 0 HA THR A 235 -2.609 1.602 0.634 1.00 0.00 H new ATOM 0 HB THR A 235 -3.362 3.751 -1.313 1.00 0.00 H new ATOM 0 HG1 THR A 235 -2.762 4.910 0.776 1.00 0.00 H new ATOM 0 HG21 THR A 235 -4.983 4.703 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.533 3.126 -0.319 1.00 0.00 H new ATOM 0 HG23 THR A 235 -4.829 3.249 1.311 1.00 0.00 H new ATOM 684 N CYS A 236 -4.608 0.540 -1.638 1.00 0.00 N ATOM 685 CA CYS A 236 -5.855 -0.234 -1.884 1.00 0.00 C ATOM 686 C CYS A 236 -5.541 -1.685 -2.258 1.00 0.00 C ATOM 687 O CYS A 236 -5.902 -2.605 -1.553 1.00 0.00 O ATOM 688 CB CYS A 236 -6.607 0.434 -3.029 1.00 0.00 C ATOM 689 SG CYS A 236 -6.897 2.161 -2.588 1.00 0.00 S ATOM 0 H CYS A 236 -3.980 0.613 -2.439 1.00 0.00 H new ATOM 0 HA CYS A 236 -6.457 -0.246 -0.975 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -6.029 0.370 -3.951 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -7.553 -0.076 -3.210 1.00 0.00 H new ATOM 694 N LEU A 237 -4.899 -1.902 -3.371 1.00 0.00 N ATOM 695 CA LEU A 237 -4.599 -3.300 -3.792 1.00 0.00 C ATOM 696 C LEU A 237 -3.690 -3.997 -2.770 1.00 0.00 C ATOM 697 O LEU A 237 -3.769 -5.195 -2.585 1.00 0.00 O ATOM 698 CB LEU A 237 -3.934 -3.296 -5.168 1.00 0.00 C ATOM 699 CG LEU A 237 -4.833 -2.582 -6.174 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.180 -2.613 -7.558 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.180 -3.298 -6.238 1.00 0.00 C ATOM 0 H LEU A 237 -4.570 -1.175 -4.006 1.00 0.00 H new ATOM 0 HA LEU A 237 -5.537 -3.852 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -2.966 -2.797 -5.113 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -3.747 -4.319 -5.495 1.00 0.00 H new ATOM 0 HG LEU A 237 -4.977 -1.547 -5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -4.823 -2.103 -8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.214 -2.111 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.038 -3.648 -7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -6.827 -2.793 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.028 -4.331 -6.551 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -6.648 -3.282 -5.254 1.00 0.00 H new