USER MOD reduce.3.24.130724 H: found=0, std=0, add=318, rem=0, adj=14 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 :FLIP amide:sc= -3.09! C(o=-6.5!,f=-3.5!) USER MOD Set 1.2: A 202 THR OG1 : rot 165:sc= -0.365 USER MOD Single : A 191 SER OG : rot 85:sc= 0.0425 USER MOD Single : A 194 ASN : amide:sc= -1.53! C(o=-1.5!,f=-7.5!) USER MOD Single : A 198 ASN : amide:sc= -0.342 K(o=-0.34,f=-2.8!) USER MOD Single : A 203 ASN :FLIP amide:sc= -0.269 F(o=-2.6!,f=-0.27) USER MOD Single : A 212 SER OG : rot 180:sc= 0 USER MOD Single : A 213 ASN :FLIP amide:sc= -0.172 F(o=-1.7!,f=-0.17) 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= 0.00949 USER MOD Single : A 224 LYS NZ :NH3+ -125:sc= -1.03 (180deg=-3.23!) USER MOD Single : A 225 HIS : no HD1:sc= -2.65! C(o=-2.6!,f=-13!) USER MOD Single : A 229 LYS NZ :NH3+ -114:sc= -0.0965 (180deg=-1.76) USER MOD Single : A 230 THR OG1 : rot 180:sc= 0 USER MOD Single : A 231 LYS NZ :NH3+ 164:sc= -1.05 (180deg=-1.36) USER MOD Single : A 233 GLN : amide:sc= -2.01! C(o=-2!,f=-3.6!) USER MOD Single : A 235 THR OG1 : rot 53:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 18 N CYS A 189 -10.248 -12.566 -9.939 1.00 0.00 N ATOM 19 CA CYS A 189 -10.574 -12.469 -8.489 1.00 0.00 C ATOM 20 C CYS A 189 -10.850 -11.008 -8.133 1.00 0.00 C ATOM 21 O CYS A 189 -10.079 -10.124 -8.452 1.00 0.00 O ATOM 22 CB CYS A 189 -9.393 -12.981 -7.664 1.00 0.00 C ATOM 23 SG CYS A 189 -8.957 -14.652 -8.204 1.00 0.00 S ATOM 0 HA CYS A 189 -11.455 -13.073 -8.270 1.00 0.00 H new ATOM 0 HB2 CYS A 189 -8.538 -12.315 -7.781 1.00 0.00 H new ATOM 0 HB3 CYS A 189 -9.651 -12.985 -6.605 1.00 0.00 H new ATOM 28 N ALA A 190 -11.945 -10.751 -7.481 1.00 0.00 N ATOM 29 CA ALA A 190 -12.285 -9.350 -7.109 1.00 0.00 C ATOM 30 C ALA A 190 -11.214 -8.779 -6.176 1.00 0.00 C ATOM 31 O ALA A 190 -10.868 -7.616 -6.255 1.00 0.00 O ATOM 32 CB ALA A 190 -13.637 -9.335 -6.396 1.00 0.00 C ATOM 0 H ALA A 190 -12.624 -11.453 -7.187 1.00 0.00 H new ATOM 0 HA ALA A 190 -12.332 -8.740 -8.011 1.00 0.00 H new ATOM 0 HB1 ALA A 190 -13.892 -8.312 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 190 -14.403 -9.734 -7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 190 -13.581 -9.949 -5.497 1.00 0.00 H new ATOM 38 N SER A 191 -10.692 -9.576 -5.286 1.00 0.00 N ATOM 39 CA SER A 191 -9.656 -9.057 -4.348 1.00 0.00 C ATOM 40 C SER A 191 -8.277 -9.089 -5.018 1.00 0.00 C ATOM 41 O SER A 191 -7.321 -8.536 -4.511 1.00 0.00 O ATOM 42 CB SER A 191 -9.633 -9.922 -3.088 1.00 0.00 C ATOM 43 OG SER A 191 -8.997 -11.156 -3.382 1.00 0.00 O ATOM 0 H SER A 191 -10.936 -10.559 -5.167 1.00 0.00 H new ATOM 0 HA SER A 191 -9.897 -8.028 -4.082 1.00 0.00 H new ATOM 0 HB2 SER A 191 -9.102 -9.407 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 191 -10.649 -10.098 -2.734 1.00 0.00 H new ATOM 0 HG SER A 191 -8.027 -11.055 -3.287 1.00 0.00 H new ATOM 49 N CYS A 192 -8.164 -9.724 -6.155 1.00 0.00 N ATOM 50 CA CYS A 192 -6.846 -9.778 -6.854 1.00 0.00 C ATOM 51 C CYS A 192 -7.050 -10.269 -8.289 1.00 0.00 C ATOM 52 O CYS A 192 -6.625 -11.348 -8.651 1.00 0.00 O ATOM 53 CB CYS A 192 -5.906 -10.734 -6.113 1.00 0.00 C ATOM 54 SG CYS A 192 -6.602 -12.403 -6.127 1.00 0.00 S ATOM 0 H CYS A 192 -8.927 -10.207 -6.630 1.00 0.00 H new ATOM 0 HA CYS A 192 -6.405 -8.782 -6.870 1.00 0.00 H new ATOM 0 HB2 CYS A 192 -4.924 -10.735 -6.587 1.00 0.00 H new ATOM 0 HB3 CYS A 192 -5.764 -10.397 -5.086 1.00 0.00 H new ATOM 59 N PRO A 193 -7.702 -9.474 -9.095 1.00 0.00 N ATOM 60 CA PRO A 193 -7.980 -9.818 -10.523 1.00 0.00 C ATOM 61 C PRO A 193 -6.710 -10.168 -11.312 1.00 0.00 C ATOM 62 O PRO A 193 -6.764 -10.864 -12.306 1.00 0.00 O ATOM 63 CB PRO A 193 -8.618 -8.550 -11.095 1.00 0.00 C ATOM 64 CG PRO A 193 -9.136 -7.788 -9.920 1.00 0.00 C ATOM 65 CD PRO A 193 -8.255 -8.162 -8.729 1.00 0.00 C ATOM 0 HA PRO A 193 -8.614 -10.702 -10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 193 -7.888 -7.962 -11.651 1.00 0.00 H new ATOM 0 HB3 PRO A 193 -9.423 -8.796 -11.787 1.00 0.00 H new ATOM 0 HG2 PRO A 193 -9.098 -6.715 -10.108 1.00 0.00 H new ATOM 0 HG3 PRO A 193 -10.178 -8.040 -9.724 1.00 0.00 H new ATOM 0 HD2 PRO A 193 -7.466 -7.427 -8.569 1.00 0.00 H new ATOM 0 HD3 PRO A 193 -8.833 -8.215 -7.806 1.00 0.00 H new ATOM 73 N ASN A 194 -5.572 -9.690 -10.889 1.00 0.00 N ATOM 74 CA ASN A 194 -4.317 -10.002 -11.632 1.00 0.00 C ATOM 75 C ASN A 194 -3.643 -11.231 -11.020 1.00 0.00 C ATOM 76 O ASN A 194 -2.570 -11.625 -11.428 1.00 0.00 O ATOM 77 CB ASN A 194 -3.360 -8.811 -11.549 1.00 0.00 C ATOM 78 CG ASN A 194 -2.744 -8.746 -10.151 1.00 0.00 C ATOM 79 OD1 ASN A 194 -3.191 -9.422 -9.247 1.00 0.00 O ATOM 80 ND2 ASN A 194 -1.731 -7.952 -9.933 1.00 0.00 N ATOM 0 H ASN A 194 -5.456 -9.100 -10.065 1.00 0.00 H new ATOM 0 HA ASN A 194 -4.563 -10.203 -12.675 1.00 0.00 H new ATOM 0 HB2 ASN A 194 -2.575 -8.909 -12.299 1.00 0.00 H new ATOM 0 HB3 ASN A 194 -3.894 -7.886 -11.766 1.00 0.00 H new ATOM 0 HD21 ASN A 194 -1.315 -7.900 -9.003 1.00 0.00 H new ATOM 0 HD22 ASN A 194 -1.355 -7.384 -10.693 1.00 0.00 H new ATOM 87 N ASN A 195 -4.256 -11.841 -10.043 1.00 0.00 N ATOM 88 CA ASN A 195 -3.623 -13.036 -9.421 1.00 0.00 C ATOM 89 C ASN A 195 -4.703 -14.013 -8.958 1.00 0.00 C ATOM 90 O ASN A 195 -5.317 -13.834 -7.925 1.00 0.00 O ATOM 91 CB ASN A 195 -2.786 -12.591 -8.222 1.00 0.00 C ATOM 92 CG ASN A 195 -1.778 -13.686 -7.869 1.00 0.00 C ATOM 93 OD1 ASN A 195 -0.806 -13.416 -7.042 1.00 0.00 O flip ATOM 94 ND2 ASN A 195 -1.870 -14.793 -8.359 1.00 0.00 N flip ATOM 0 H ASN A 195 -5.158 -11.567 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 195 -2.985 -13.532 -10.152 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -2.264 -11.663 -8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -3.433 -12.389 -7.368 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -2.630 -15.003 -9.006 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -1.187 -15.513 -8.124 1.00 0.00 H new ATOM 101 N CYS A 196 -4.934 -15.048 -9.715 1.00 0.00 N ATOM 102 CA CYS A 196 -5.967 -16.044 -9.322 1.00 0.00 C ATOM 103 C CYS A 196 -5.371 -17.451 -9.399 1.00 0.00 C ATOM 104 O CYS A 196 -4.450 -17.707 -10.149 1.00 0.00 O ATOM 105 CB CYS A 196 -7.163 -15.941 -10.272 1.00 0.00 C ATOM 106 SG CYS A 196 -8.033 -14.379 -9.981 1.00 0.00 S ATOM 0 H CYS A 196 -4.451 -15.247 -10.591 1.00 0.00 H new ATOM 0 HA CYS A 196 -6.297 -15.845 -8.302 1.00 0.00 H new ATOM 0 HB2 CYS A 196 -6.825 -15.994 -11.307 1.00 0.00 H new ATOM 0 HB3 CYS A 196 -7.839 -16.781 -10.115 1.00 0.00 H new ATOM 111 N GLU A 197 -5.894 -18.368 -8.635 1.00 0.00 N ATOM 112 CA GLU A 197 -5.365 -19.759 -8.671 1.00 0.00 C ATOM 113 C GLU A 197 -6.535 -20.733 -8.511 1.00 0.00 C ATOM 114 O GLU A 197 -7.168 -20.789 -7.477 1.00 0.00 O ATOM 115 CB GLU A 197 -4.371 -19.954 -7.524 1.00 0.00 C ATOM 116 CG GLU A 197 -3.707 -21.329 -7.643 1.00 0.00 C ATOM 117 CD GLU A 197 -2.825 -21.577 -6.418 1.00 0.00 C ATOM 118 OE1 GLU A 197 -2.784 -20.713 -5.556 1.00 0.00 O ATOM 119 OE2 GLU A 197 -2.206 -22.628 -6.359 1.00 0.00 O ATOM 0 H GLU A 197 -6.666 -18.214 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 197 -4.858 -19.943 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 197 -3.614 -19.171 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 197 -4.885 -19.870 -6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 197 -4.467 -22.106 -7.720 1.00 0.00 H new ATOM 0 HG3 GLU A 197 -3.107 -21.378 -8.552 1.00 0.00 H new ATOM 127 N ASN A 198 -6.837 -21.494 -9.529 1.00 0.00 N ATOM 128 CA ASN A 198 -7.976 -22.449 -9.431 1.00 0.00 C ATOM 129 C ASN A 198 -9.219 -21.699 -8.942 1.00 0.00 C ATOM 130 O ASN A 198 -10.031 -22.232 -8.211 1.00 0.00 O ATOM 131 CB ASN A 198 -7.632 -23.567 -8.443 1.00 0.00 C ATOM 132 CG ASN A 198 -8.627 -24.717 -8.615 1.00 0.00 C ATOM 133 OD1 ASN A 198 -9.505 -24.653 -9.452 1.00 0.00 O ATOM 134 ND2 ASN A 198 -8.529 -25.772 -7.853 1.00 0.00 N ATOM 0 H ASN A 198 -6.344 -21.495 -10.422 1.00 0.00 H new ATOM 0 HA ASN A 198 -8.170 -22.886 -10.411 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -6.616 -23.921 -8.616 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -7.668 -23.189 -7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -9.189 -26.542 -7.961 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -7.792 -25.827 -7.150 1.00 0.00 H new ATOM 141 N GLY A 199 -9.370 -20.464 -9.336 1.00 0.00 N ATOM 142 CA GLY A 199 -10.555 -19.679 -8.888 1.00 0.00 C ATOM 143 C GLY A 199 -10.320 -19.207 -7.455 1.00 0.00 C ATOM 144 O GLY A 199 -11.226 -18.768 -6.774 1.00 0.00 O ATOM 0 H GLY A 199 -8.725 -19.965 -9.948 1.00 0.00 H new ATOM 0 HA2 GLY A 199 -10.712 -18.824 -9.546 1.00 0.00 H new ATOM 0 HA3 GLY A 199 -11.455 -20.291 -8.941 1.00 0.00 H new ATOM 148 N LEU A 200 -9.104 -19.306 -6.990 1.00 0.00 N ATOM 149 CA LEU A 200 -8.790 -18.877 -5.599 1.00 0.00 C ATOM 150 C LEU A 200 -7.825 -17.690 -5.638 1.00 0.00 C ATOM 151 O LEU A 200 -6.873 -17.677 -6.394 1.00 0.00 O ATOM 152 CB LEU A 200 -8.133 -20.042 -4.856 1.00 0.00 C ATOM 153 CG LEU A 200 -7.992 -19.701 -3.373 1.00 0.00 C ATOM 154 CD1 LEU A 200 -9.331 -19.927 -2.667 1.00 0.00 C ATOM 155 CD2 LEU A 200 -6.925 -20.605 -2.750 1.00 0.00 C ATOM 0 H LEU A 200 -8.310 -19.668 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 200 -9.706 -18.582 -5.088 1.00 0.00 H new ATOM 0 HB2 LEU A 200 -8.732 -20.945 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 200 -7.153 -20.251 -5.285 1.00 0.00 H new ATOM 0 HG LEU A 200 -7.699 -18.657 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 200 -9.230 -19.684 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 200 -10.091 -19.288 -3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 200 -9.626 -20.971 -2.773 1.00 0.00 H new ATOM 0 HD21 LEU A 200 -6.819 -20.367 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 200 -7.223 -21.648 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 200 -5.972 -20.445 -3.255 1.00 0.00 H new ATOM 167 N CYS A 201 -8.058 -16.696 -4.828 1.00 0.00 N ATOM 168 CA CYS A 201 -7.149 -15.516 -4.820 1.00 0.00 C ATOM 169 C CYS A 201 -5.889 -15.866 -4.028 1.00 0.00 C ATOM 170 O CYS A 201 -5.958 -16.404 -2.941 1.00 0.00 O ATOM 171 CB CYS A 201 -7.858 -14.330 -4.162 1.00 0.00 C ATOM 172 SG CYS A 201 -6.761 -12.890 -4.174 1.00 0.00 S ATOM 0 H CYS A 201 -8.837 -16.649 -4.172 1.00 0.00 H new ATOM 0 HA CYS A 201 -6.879 -15.249 -5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 201 -8.781 -14.102 -4.696 1.00 0.00 H new ATOM 0 HB3 CYS A 201 -8.136 -14.581 -3.138 1.00 0.00 H new ATOM 177 N THR A 202 -4.737 -15.573 -4.567 1.00 0.00 N ATOM 178 CA THR A 202 -3.476 -15.903 -3.842 1.00 0.00 C ATOM 179 C THR A 202 -3.220 -14.862 -2.756 1.00 0.00 C ATOM 180 O THR A 202 -2.278 -14.961 -1.997 1.00 0.00 O ATOM 181 CB THR A 202 -2.304 -15.905 -4.826 1.00 0.00 C ATOM 182 OG1 THR A 202 -2.091 -14.585 -5.309 1.00 0.00 O ATOM 183 CG2 THR A 202 -2.617 -16.837 -5.998 1.00 0.00 C ATOM 0 H THR A 202 -4.614 -15.122 -5.473 1.00 0.00 H new ATOM 0 HA THR A 202 -3.572 -16.888 -3.386 1.00 0.00 H new ATOM 0 HB THR A 202 -1.405 -16.256 -4.319 1.00 0.00 H new ATOM 0 HG1 THR A 202 -1.216 -14.534 -5.747 1.00 0.00 H new ATOM 0 HG21 THR A 202 -1.781 -16.836 -6.697 1.00 0.00 H new ATOM 0 HG22 THR A 202 -2.778 -17.849 -5.625 1.00 0.00 H new ATOM 0 HG23 THR A 202 -3.516 -16.491 -6.508 1.00 0.00 H new ATOM 191 N ASN A 203 -4.050 -13.861 -2.675 1.00 0.00 N ATOM 192 CA ASN A 203 -3.849 -12.815 -1.635 1.00 0.00 C ATOM 193 C ASN A 203 -2.445 -12.225 -1.773 1.00 0.00 C ATOM 194 O ASN A 203 -1.832 -11.830 -0.802 1.00 0.00 O ATOM 195 CB ASN A 203 -4.004 -13.440 -0.249 1.00 0.00 C ATOM 196 CG ASN A 203 -4.226 -12.337 0.788 1.00 0.00 C ATOM 197 OD1 ASN A 203 -4.210 -11.089 0.409 1.00 0.00 O flip ATOM 198 ND2 ASN A 203 -4.411 -12.615 1.955 1.00 0.00 N flip ATOM 0 H ASN A 203 -4.857 -13.722 -3.283 1.00 0.00 H new ATOM 0 HA ASN A 203 -4.590 -12.026 -1.763 1.00 0.00 H new ATOM 0 HB2 ASN A 203 -4.845 -14.133 -0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 203 -3.114 -14.017 0.003 1.00 0.00 H new ATOM 0 HD21 ASN A 203 -4.423 -13.591 2.251 1.00 0.00 H new ATOM 0 HD22 ASN A 203 -4.554 -11.873 2.640 1.00 0.00 H new ATOM 239 N PHE A 207 2.054 -3.297 -5.022 1.00 0.00 N ATOM 240 CA PHE A 207 1.880 -1.939 -5.620 1.00 0.00 C ATOM 241 C PHE A 207 2.407 -0.893 -4.643 1.00 0.00 C ATOM 242 O PHE A 207 2.547 -1.149 -3.464 1.00 0.00 O ATOM 243 CB PHE A 207 0.398 -1.671 -5.871 1.00 0.00 C ATOM 244 CG PHE A 207 -0.337 -2.978 -5.932 1.00 0.00 C ATOM 245 CD1 PHE A 207 -0.019 -3.913 -6.920 1.00 0.00 C ATOM 246 CD2 PHE A 207 -1.334 -3.256 -4.997 1.00 0.00 C ATOM 247 CE1 PHE A 207 -0.705 -5.131 -6.973 1.00 0.00 C ATOM 248 CE2 PHE A 207 -2.018 -4.471 -5.047 1.00 0.00 C ATOM 249 CZ PHE A 207 -1.704 -5.412 -6.035 1.00 0.00 C ATOM 0 HA PHE A 207 2.427 -1.888 -6.562 1.00 0.00 H new ATOM 0 HB2 PHE A 207 -0.011 -1.047 -5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 207 0.268 -1.123 -6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 207 0.755 -3.696 -7.641 1.00 0.00 H new ATOM 0 HD2 PHE A 207 -1.576 -2.531 -4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 207 -0.463 -5.854 -7.738 1.00 0.00 H new ATOM 0 HE2 PHE A 207 -2.790 -4.686 -4.323 1.00 0.00 H new ATOM 0 HZ PHE A 207 -2.232 -6.353 -6.073 1.00 0.00 H new ATOM 259 N GLU A 208 2.690 0.286 -5.119 1.00 0.00 N ATOM 260 CA GLU A 208 3.193 1.348 -4.211 1.00 0.00 C ATOM 261 C GLU A 208 2.367 2.618 -4.415 1.00 0.00 C ATOM 262 O GLU A 208 1.969 2.943 -5.516 1.00 0.00 O ATOM 263 CB GLU A 208 4.665 1.622 -4.510 1.00 0.00 C ATOM 264 CG GLU A 208 5.196 2.672 -3.532 1.00 0.00 C ATOM 265 CD GLU A 208 6.666 2.958 -3.839 1.00 0.00 C ATOM 266 OE1 GLU A 208 7.237 3.802 -3.166 1.00 0.00 O ATOM 267 OE2 GLU A 208 7.199 2.326 -4.736 1.00 0.00 O ATOM 0 H GLU A 208 2.594 0.559 -6.097 1.00 0.00 H new ATOM 0 HA GLU A 208 3.099 1.023 -3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 208 5.243 0.702 -4.422 1.00 0.00 H new ATOM 0 HB3 GLU A 208 4.780 1.973 -5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 208 4.612 3.588 -3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 208 5.090 2.316 -2.507 1.00 0.00 H new ATOM 275 N ASP A 209 2.091 3.327 -3.355 1.00 0.00 N ATOM 276 CA ASP A 209 1.272 4.561 -3.480 1.00 0.00 C ATOM 277 C ASP A 209 2.055 5.626 -4.240 1.00 0.00 C ATOM 278 O ASP A 209 3.017 6.180 -3.747 1.00 0.00 O ATOM 279 CB ASP A 209 0.930 5.084 -2.086 1.00 0.00 C ATOM 280 CG ASP A 209 0.020 4.084 -1.372 1.00 0.00 C ATOM 281 OD1 ASP A 209 -0.618 3.300 -2.055 1.00 0.00 O ATOM 282 OD2 ASP A 209 -0.020 4.117 -0.152 1.00 0.00 O ATOM 0 H ASP A 209 2.398 3.103 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 209 0.355 4.331 -4.023 1.00 0.00 H new ATOM 0 HB2 ASP A 209 1.843 5.236 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 209 0.435 6.052 -2.161 1.00 0.00 H new ATOM 288 N LEU A 210 1.641 5.921 -5.437 1.00 0.00 N ATOM 289 CA LEU A 210 2.345 6.956 -6.238 1.00 0.00 C ATOM 290 C LEU A 210 2.203 8.321 -5.553 1.00 0.00 C ATOM 291 O LEU A 210 3.023 9.199 -5.730 1.00 0.00 O ATOM 292 CB LEU A 210 1.754 6.988 -7.651 1.00 0.00 C ATOM 293 CG LEU A 210 2.360 5.849 -8.477 1.00 0.00 C ATOM 294 CD1 LEU A 210 2.155 4.521 -7.745 1.00 0.00 C ATOM 295 CD2 LEU A 210 1.676 5.784 -9.845 1.00 0.00 C ATOM 0 H LEU A 210 0.841 5.488 -5.898 1.00 0.00 H new ATOM 0 HA LEU A 210 3.406 6.717 -6.308 1.00 0.00 H new ATOM 0 HB2 LEU A 210 0.670 6.884 -7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 210 1.963 7.947 -8.124 1.00 0.00 H new ATOM 0 HG LEU A 210 3.426 6.031 -8.612 1.00 0.00 H new ATOM 0 HD11 LEU A 210 2.586 3.711 -8.333 1.00 0.00 H new ATOM 0 HD12 LEU A 210 2.644 4.563 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 210 1.089 4.342 -7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 210 2.109 4.973 -10.430 1.00 0.00 H new ATOM 0 HD22 LEU A 210 0.609 5.605 -9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 210 1.822 6.728 -10.370 1.00 0.00 H new ATOM 307 N LEU A 211 1.174 8.503 -4.763 1.00 0.00 N ATOM 308 CA LEU A 211 0.991 9.809 -4.058 1.00 0.00 C ATOM 309 C LEU A 211 1.235 9.623 -2.557 1.00 0.00 C ATOM 310 O LEU A 211 0.943 8.587 -1.993 1.00 0.00 O ATOM 311 CB LEU A 211 -0.433 10.323 -4.276 1.00 0.00 C ATOM 312 CG LEU A 211 -0.711 10.448 -5.775 1.00 0.00 C ATOM 313 CD1 LEU A 211 -2.099 11.052 -5.988 1.00 0.00 C ATOM 314 CD2 LEU A 211 0.341 11.356 -6.415 1.00 0.00 C ATOM 0 H LEU A 211 0.454 7.805 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 211 1.703 10.531 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -1.150 9.641 -3.819 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -0.559 11.291 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 211 -0.669 9.461 -6.235 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -2.297 11.141 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -2.850 10.407 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -2.141 12.039 -5.528 1.00 0.00 H new ATOM 0 HD21 LEU A 211 0.143 11.445 -7.483 1.00 0.00 H new ATOM 0 HD22 LEU A 211 0.299 12.343 -5.954 1.00 0.00 H new ATOM 0 HD23 LEU A 211 1.332 10.928 -6.264 1.00 0.00 H new ATOM 326 N SER A 212 1.773 10.622 -1.907 1.00 0.00 N ATOM 327 CA SER A 212 2.043 10.511 -0.443 1.00 0.00 C ATOM 328 C SER A 212 0.772 10.829 0.348 1.00 0.00 C ATOM 329 O SER A 212 0.764 10.790 1.563 1.00 0.00 O ATOM 330 CB SER A 212 3.137 11.502 -0.050 1.00 0.00 C ATOM 331 OG SER A 212 2.581 12.808 0.033 1.00 0.00 O ATOM 0 H SER A 212 2.038 11.512 -2.328 1.00 0.00 H new ATOM 0 HA SER A 212 2.365 9.494 -0.217 1.00 0.00 H new ATOM 0 HB2 SER A 212 3.573 11.219 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 212 3.942 11.483 -0.785 1.00 0.00 H new ATOM 0 HG SER A 212 3.280 13.446 0.287 1.00 0.00 H new ATOM 337 N ASN A 213 -0.298 11.146 -0.326 1.00 0.00 N ATOM 338 CA ASN A 213 -1.563 11.466 0.391 1.00 0.00 C ATOM 339 C ASN A 213 -2.636 10.443 0.018 1.00 0.00 C ATOM 340 O ASN A 213 -3.818 10.697 0.146 1.00 0.00 O ATOM 341 CB ASN A 213 -2.033 12.868 -0.002 1.00 0.00 C ATOM 342 CG ASN A 213 -1.399 13.907 0.928 1.00 0.00 C ATOM 343 OD1 ASN A 213 -0.474 13.538 1.773 1.00 0.00 O flip ATOM 344 ND2 ASN A 213 -1.751 15.069 0.883 1.00 0.00 N flip ATOM 0 H ASN A 213 -0.351 11.197 -1.343 1.00 0.00 H new ATOM 0 HA ASN A 213 -1.388 11.431 1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 213 -1.759 13.077 -1.036 1.00 0.00 H new ATOM 0 HB3 ASN A 213 -3.120 12.928 0.058 1.00 0.00 H new ATOM 0 HD21 ASN A 213 -2.473 15.358 0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 213 -1.324 15.756 1.505 1.00 0.00 H new ATOM 351 N CYS A 214 -2.239 9.289 -0.441 1.00 0.00 N ATOM 352 CA CYS A 214 -3.244 8.258 -0.819 1.00 0.00 C ATOM 353 C CYS A 214 -4.165 7.979 0.365 1.00 0.00 C ATOM 354 O CYS A 214 -5.360 7.833 0.208 1.00 0.00 O ATOM 355 CB CYS A 214 -2.526 6.973 -1.220 1.00 0.00 C ATOM 356 SG CYS A 214 -1.835 7.175 -2.877 1.00 0.00 S ATOM 0 H CYS A 214 -1.265 9.016 -0.570 1.00 0.00 H new ATOM 0 HA CYS A 214 -3.837 8.622 -1.658 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -1.733 6.747 -0.507 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -3.220 6.133 -1.202 1.00 0.00 H new ATOM 361 N GLU A 215 -3.629 7.918 1.551 1.00 0.00 N ATOM 362 CA GLU A 215 -4.500 7.666 2.728 1.00 0.00 C ATOM 363 C GLU A 215 -5.525 8.794 2.809 1.00 0.00 C ATOM 364 O GLU A 215 -6.678 8.581 3.128 1.00 0.00 O ATOM 365 CB GLU A 215 -3.656 7.647 4.003 1.00 0.00 C ATOM 366 CG GLU A 215 -4.525 7.192 5.179 1.00 0.00 C ATOM 367 CD GLU A 215 -3.715 7.266 6.474 1.00 0.00 C ATOM 368 OE1 GLU A 215 -4.258 6.918 7.509 1.00 0.00 O ATOM 369 OE2 GLU A 215 -2.566 7.669 6.408 1.00 0.00 O ATOM 0 H GLU A 215 -2.636 8.031 1.754 1.00 0.00 H new ATOM 0 HA GLU A 215 -5.001 6.703 2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 215 -2.808 6.974 3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 215 -3.250 8.639 4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 215 -5.410 7.823 5.255 1.00 0.00 H new ATOM 0 HG3 GLU A 215 -4.873 6.172 5.014 1.00 0.00 H new ATOM 377 N SER A 216 -5.109 9.995 2.509 1.00 0.00 N ATOM 378 CA SER A 216 -6.052 11.146 2.549 1.00 0.00 C ATOM 379 C SER A 216 -7.158 10.927 1.516 1.00 0.00 C ATOM 380 O SER A 216 -8.324 11.139 1.783 1.00 0.00 O ATOM 381 CB SER A 216 -5.292 12.427 2.209 1.00 0.00 C ATOM 382 OG SER A 216 -6.140 13.548 2.427 1.00 0.00 O ATOM 0 H SER A 216 -4.154 10.228 2.237 1.00 0.00 H new ATOM 0 HA SER A 216 -6.490 11.230 3.543 1.00 0.00 H new ATOM 0 HB2 SER A 216 -4.397 12.508 2.826 1.00 0.00 H new ATOM 0 HB3 SER A 216 -4.962 12.403 1.171 1.00 0.00 H new ATOM 0 HG SER A 216 -5.655 14.372 2.211 1.00 0.00 H new ATOM 388 N LEU A 217 -6.797 10.504 0.333 1.00 0.00 N ATOM 389 CA LEU A 217 -7.822 10.269 -0.721 1.00 0.00 C ATOM 390 C LEU A 217 -8.761 9.151 -0.272 1.00 0.00 C ATOM 391 O LEU A 217 -9.940 9.163 -0.563 1.00 0.00 O ATOM 392 CB LEU A 217 -7.134 9.859 -2.025 1.00 0.00 C ATOM 393 CG LEU A 217 -6.133 10.938 -2.442 1.00 0.00 C ATOM 394 CD1 LEU A 217 -5.441 10.511 -3.738 1.00 0.00 C ATOM 395 CD2 LEU A 217 -6.867 12.260 -2.674 1.00 0.00 C ATOM 0 H LEU A 217 -5.835 10.312 0.053 1.00 0.00 H new ATOM 0 HA LEU A 217 -8.391 11.184 -0.884 1.00 0.00 H new ATOM 0 HB2 LEU A 217 -6.622 8.906 -1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 217 -7.877 9.716 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 217 -5.392 11.069 -1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 217 -4.727 11.277 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 217 -4.916 9.569 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 217 -6.186 10.382 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 217 -6.151 13.026 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 217 -7.608 12.131 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 217 -7.365 12.566 -1.754 1.00 0.00 H new ATOM 407 N LYS A 218 -8.249 8.184 0.437 1.00 0.00 N ATOM 408 CA LYS A 218 -9.118 7.069 0.903 1.00 0.00 C ATOM 409 C LYS A 218 -10.257 7.619 1.753 1.00 0.00 C ATOM 410 O LYS A 218 -11.389 7.196 1.646 1.00 0.00 O ATOM 411 CB LYS A 218 -8.296 6.103 1.741 1.00 0.00 C ATOM 412 CG LYS A 218 -9.205 4.984 2.245 1.00 0.00 C ATOM 413 CD LYS A 218 -8.361 3.753 2.545 1.00 0.00 C ATOM 414 CE LYS A 218 -7.111 4.172 3.317 1.00 0.00 C ATOM 415 NZ LYS A 218 -6.535 2.985 4.006 1.00 0.00 N ATOM 0 H LYS A 218 -7.269 8.118 0.713 1.00 0.00 H new ATOM 0 HA LYS A 218 -9.529 6.552 0.036 1.00 0.00 H new ATOM 0 HB2 LYS A 218 -7.482 5.688 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 218 -7.842 6.627 2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 218 -9.734 5.305 3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 218 -9.961 4.748 1.496 1.00 0.00 H new ATOM 0 HD2 LYS A 218 -8.939 3.035 3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 218 -8.079 3.256 1.617 1.00 0.00 H new ATOM 0 HE2 LYS A 218 -6.377 4.603 2.636 1.00 0.00 H new ATOM 0 HE3 LYS A 218 -7.361 4.943 4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 218 -5.684 3.268 4.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 218 -7.236 2.593 4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 218 -6.282 2.263 3.301 1.00 0.00 H new ATOM 429 N THR A 219 -9.965 8.559 2.599 1.00 0.00 N ATOM 430 CA THR A 219 -11.025 9.136 3.459 1.00 0.00 C ATOM 431 C THR A 219 -12.121 9.737 2.576 1.00 0.00 C ATOM 432 O THR A 219 -13.263 9.848 2.977 1.00 0.00 O ATOM 433 CB THR A 219 -10.416 10.218 4.350 1.00 0.00 C ATOM 434 OG1 THR A 219 -9.350 9.661 5.107 1.00 0.00 O ATOM 435 CG2 THR A 219 -11.482 10.764 5.297 1.00 0.00 C ATOM 0 H THR A 219 -9.034 8.954 2.732 1.00 0.00 H new ATOM 0 HA THR A 219 -11.460 8.358 4.087 1.00 0.00 H new ATOM 0 HB THR A 219 -10.037 11.029 3.728 1.00 0.00 H new ATOM 0 HG1 THR A 219 -8.957 10.354 5.678 1.00 0.00 H new ATOM 0 HG21 THR A 219 -11.045 11.535 5.931 1.00 0.00 H new ATOM 0 HG22 THR A 219 -12.300 11.192 4.717 1.00 0.00 H new ATOM 0 HG23 THR A 219 -11.864 9.955 5.920 1.00 0.00 H new ATOM 443 N SER A 220 -11.779 10.136 1.381 1.00 0.00 N ATOM 444 CA SER A 220 -12.800 10.737 0.479 1.00 0.00 C ATOM 445 C SER A 220 -13.193 9.738 -0.616 1.00 0.00 C ATOM 446 O SER A 220 -14.311 9.263 -0.661 1.00 0.00 O ATOM 447 CB SER A 220 -12.223 11.996 -0.168 1.00 0.00 C ATOM 448 OG SER A 220 -10.818 12.045 0.058 1.00 0.00 O ATOM 0 H SER A 220 -10.838 10.072 0.992 1.00 0.00 H new ATOM 0 HA SER A 220 -13.685 10.991 1.062 1.00 0.00 H new ATOM 0 HB2 SER A 220 -12.430 11.995 -1.238 1.00 0.00 H new ATOM 0 HB3 SER A 220 -12.700 12.883 0.248 1.00 0.00 H new ATOM 0 HG SER A 220 -10.448 12.851 -0.358 1.00 0.00 H new ATOM 454 N ALA A 221 -12.290 9.429 -1.506 1.00 0.00 N ATOM 455 CA ALA A 221 -12.623 8.475 -2.604 1.00 0.00 C ATOM 456 C ALA A 221 -12.894 7.078 -2.032 1.00 0.00 C ATOM 457 O ALA A 221 -13.738 6.356 -2.522 1.00 0.00 O ATOM 458 CB ALA A 221 -11.455 8.407 -3.586 1.00 0.00 C ATOM 0 H ALA A 221 -11.338 9.794 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 221 -13.518 8.824 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 221 -11.695 7.711 -4.389 1.00 0.00 H new ATOM 0 HB2 ALA A 221 -11.274 9.397 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 221 -10.561 8.065 -3.065 1.00 0.00 H new ATOM 464 N GLY A 222 -12.191 6.685 -1.002 1.00 0.00 N ATOM 465 CA GLY A 222 -12.430 5.330 -0.418 1.00 0.00 C ATOM 466 C GLY A 222 -11.502 4.302 -1.072 1.00 0.00 C ATOM 467 O GLY A 222 -11.671 3.110 -0.909 1.00 0.00 O ATOM 0 H GLY A 222 -11.467 7.238 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 222 -12.258 5.354 0.658 1.00 0.00 H new ATOM 0 HA3 GLY A 222 -13.470 5.039 -0.568 1.00 0.00 H new ATOM 471 N CYS A 223 -10.524 4.749 -1.806 1.00 0.00 N ATOM 472 CA CYS A 223 -9.588 3.793 -2.464 1.00 0.00 C ATOM 473 C CYS A 223 -10.332 2.989 -3.529 1.00 0.00 C ATOM 474 O CYS A 223 -9.898 2.893 -4.661 1.00 0.00 O ATOM 475 CB CYS A 223 -9.008 2.840 -1.416 1.00 0.00 C ATOM 476 SG CYS A 223 -9.601 1.158 -1.728 1.00 0.00 S ATOM 0 H CYS A 223 -10.331 5.735 -1.980 1.00 0.00 H new ATOM 0 HA CYS A 223 -8.779 4.351 -2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 223 -7.919 2.865 -1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 223 -9.302 3.160 -0.416 1.00 0.00 H new ATOM 481 N LYS A 224 -11.449 2.411 -3.188 1.00 0.00 N ATOM 482 CA LYS A 224 -12.204 1.621 -4.194 1.00 0.00 C ATOM 483 C LYS A 224 -12.386 2.471 -5.451 1.00 0.00 C ATOM 484 O LYS A 224 -12.656 1.967 -6.522 1.00 0.00 O ATOM 485 CB LYS A 224 -13.573 1.235 -3.631 1.00 0.00 C ATOM 486 CG LYS A 224 -14.257 0.262 -4.591 1.00 0.00 C ATOM 487 CD LYS A 224 -15.586 -0.201 -3.992 1.00 0.00 C ATOM 488 CE LYS A 224 -16.576 0.965 -3.964 1.00 0.00 C ATOM 489 NZ LYS A 224 -16.422 1.717 -2.686 1.00 0.00 N ATOM 0 H LYS A 224 -11.869 2.452 -2.259 1.00 0.00 H new ATOM 0 HA LYS A 224 -11.654 0.712 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 224 -13.459 0.776 -2.649 1.00 0.00 H new ATOM 0 HB3 LYS A 224 -14.188 2.125 -3.497 1.00 0.00 H new ATOM 0 HG2 LYS A 224 -14.429 0.745 -5.553 1.00 0.00 H new ATOM 0 HG3 LYS A 224 -13.611 -0.596 -4.776 1.00 0.00 H new ATOM 0 HD2 LYS A 224 -15.994 -1.023 -4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 224 -15.428 -0.580 -2.982 1.00 0.00 H new ATOM 0 HE2 LYS A 224 -16.399 1.627 -4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 224 -17.596 0.592 -4.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 224 -17.341 1.772 -2.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 224 -15.738 1.226 -2.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 224 -16.079 2.678 -2.888 1.00 0.00 H new ATOM 503 N HIS A 225 -12.241 3.761 -5.323 1.00 0.00 N ATOM 504 CA HIS A 225 -12.407 4.650 -6.506 1.00 0.00 C ATOM 505 C HIS A 225 -11.374 4.270 -7.571 1.00 0.00 C ATOM 506 O HIS A 225 -10.297 3.796 -7.269 1.00 0.00 O ATOM 507 CB HIS A 225 -12.200 6.104 -6.082 1.00 0.00 C ATOM 508 CG HIS A 225 -12.631 7.020 -7.192 1.00 0.00 C ATOM 509 ND1 HIS A 225 -11.987 7.047 -8.420 1.00 0.00 N ATOM 510 CD2 HIS A 225 -13.640 7.947 -7.274 1.00 0.00 C ATOM 511 CE1 HIS A 225 -12.610 7.964 -9.182 1.00 0.00 C ATOM 512 NE2 HIS A 225 -13.620 8.540 -8.530 1.00 0.00 N ATOM 0 H HIS A 225 -12.015 4.238 -4.450 1.00 0.00 H new ATOM 0 HA HIS A 225 -13.410 4.535 -6.916 1.00 0.00 H new ATOM 0 HB2 HIS A 225 -12.774 6.315 -5.180 1.00 0.00 H new ATOM 0 HB3 HIS A 225 -11.151 6.277 -5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 225 -14.340 8.179 -6.485 1.00 0.00 H new ATOM 0 HE1 HIS A 225 -12.327 8.204 -10.196 1.00 0.00 H new ATOM 0 HE2 HIS A 225 -14.247 9.264 -8.880 1.00 0.00 H new ATOM 521 N GLU A 226 -11.706 4.461 -8.817 1.00 0.00 N ATOM 522 CA GLU A 226 -10.766 4.098 -9.915 1.00 0.00 C ATOM 523 C GLU A 226 -9.479 4.931 -9.836 1.00 0.00 C ATOM 524 O GLU A 226 -8.404 4.453 -10.142 1.00 0.00 O ATOM 525 CB GLU A 226 -11.459 4.352 -11.255 1.00 0.00 C ATOM 526 CG GLU A 226 -12.679 3.435 -11.374 1.00 0.00 C ATOM 527 CD GLU A 226 -13.348 3.640 -12.735 1.00 0.00 C ATOM 528 OE1 GLU A 226 -14.242 2.873 -13.053 1.00 0.00 O ATOM 529 OE2 GLU A 226 -12.956 4.559 -13.434 1.00 0.00 O ATOM 0 H GLU A 226 -12.595 4.856 -9.125 1.00 0.00 H new ATOM 0 HA GLU A 226 -10.495 3.047 -9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 226 -11.765 5.396 -11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 226 -10.767 4.165 -12.077 1.00 0.00 H new ATOM 0 HG2 GLU A 226 -12.376 2.394 -11.260 1.00 0.00 H new ATOM 0 HG3 GLU A 226 -13.387 3.650 -10.574 1.00 0.00 H new ATOM 537 N LEU A 227 -9.571 6.172 -9.444 1.00 0.00 N ATOM 538 CA LEU A 227 -8.347 7.023 -9.365 1.00 0.00 C ATOM 539 C LEU A 227 -7.299 6.372 -8.457 1.00 0.00 C ATOM 540 O LEU A 227 -6.151 6.231 -8.828 1.00 0.00 O ATOM 541 CB LEU A 227 -8.719 8.397 -8.809 1.00 0.00 C ATOM 542 CG LEU A 227 -8.745 9.422 -9.946 1.00 0.00 C ATOM 543 CD1 LEU A 227 -9.635 8.910 -11.079 1.00 0.00 C ATOM 544 CD2 LEU A 227 -9.297 10.750 -9.420 1.00 0.00 C ATOM 0 H LEU A 227 -10.439 6.634 -9.175 1.00 0.00 H new ATOM 0 HA LEU A 227 -7.927 7.129 -10.365 1.00 0.00 H new ATOM 0 HB2 LEU A 227 -9.694 8.352 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 227 -7.999 8.700 -8.049 1.00 0.00 H new ATOM 0 HG LEU A 227 -7.733 9.572 -10.323 1.00 0.00 H new ATOM 0 HD11 LEU A 227 -9.652 9.641 -11.887 1.00 0.00 H new ATOM 0 HD12 LEU A 227 -9.241 7.965 -11.453 1.00 0.00 H new ATOM 0 HD13 LEU A 227 -10.648 8.758 -10.706 1.00 0.00 H new ATOM 0 HD21 LEU A 227 -9.316 11.481 -10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 227 -10.308 10.600 -9.042 1.00 0.00 H new ATOM 0 HD23 LEU A 227 -8.660 11.116 -8.615 1.00 0.00 H new ATOM 556 N LEU A 228 -7.678 5.971 -7.276 1.00 0.00 N ATOM 557 CA LEU A 228 -6.693 5.328 -6.361 1.00 0.00 C ATOM 558 C LEU A 228 -6.227 4.014 -6.968 1.00 0.00 C ATOM 559 O LEU A 228 -5.176 3.496 -6.642 1.00 0.00 O ATOM 560 CB LEU A 228 -7.337 5.065 -4.995 1.00 0.00 C ATOM 561 CG LEU A 228 -7.322 6.354 -4.165 1.00 0.00 C ATOM 562 CD1 LEU A 228 -8.698 7.009 -4.231 1.00 0.00 C ATOM 563 CD2 LEU A 228 -6.977 6.044 -2.702 1.00 0.00 C ATOM 0 H LEU A 228 -8.624 6.060 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 228 -5.840 5.993 -6.227 1.00 0.00 H new ATOM 0 HB2 LEU A 228 -8.361 4.716 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 228 -6.796 4.277 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 228 -6.567 7.028 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 228 -8.693 7.926 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 228 -8.940 7.244 -5.268 1.00 0.00 H new ATOM 0 HD13 LEU A 228 -9.446 6.325 -3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 228 -6.970 6.969 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 228 -7.722 5.364 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 228 -5.993 5.578 -2.651 1.00 0.00 H new ATOM 575 N LYS A 229 -7.021 3.461 -7.831 1.00 0.00 N ATOM 576 CA LYS A 229 -6.670 2.167 -8.458 1.00 0.00 C ATOM 577 C LYS A 229 -5.498 2.333 -9.433 1.00 0.00 C ATOM 578 O LYS A 229 -5.035 1.371 -10.011 1.00 0.00 O ATOM 579 CB LYS A 229 -7.894 1.638 -9.209 1.00 0.00 C ATOM 580 CG LYS A 229 -7.918 0.112 -9.135 1.00 0.00 C ATOM 581 CD LYS A 229 -8.170 -0.312 -7.686 1.00 0.00 C ATOM 582 CE LYS A 229 -9.304 -1.339 -7.645 1.00 0.00 C ATOM 583 NZ LYS A 229 -9.666 -1.628 -6.229 1.00 0.00 N ATOM 0 H LYS A 229 -7.911 3.857 -8.133 1.00 0.00 H new ATOM 0 HA LYS A 229 -6.369 1.464 -7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 229 -8.806 2.048 -8.774 1.00 0.00 H new ATOM 0 HB3 LYS A 229 -7.863 1.962 -10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 229 -8.698 -0.284 -9.785 1.00 0.00 H new ATOM 0 HG3 LYS A 229 -6.971 -0.297 -9.488 1.00 0.00 H new ATOM 0 HD2 LYS A 229 -7.263 -0.739 -7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 229 -8.430 0.557 -7.081 1.00 0.00 H new ATOM 0 HE2 LYS A 229 -10.173 -0.958 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 229 -8.996 -2.256 -8.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 229 -9.428 -2.615 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 229 -9.137 -0.992 -5.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 229 -10.686 -1.479 -6.094 1.00 0.00 H new ATOM 597 N THR A 230 -5.021 3.535 -9.649 1.00 0.00 N ATOM 598 CA THR A 230 -3.894 3.704 -10.612 1.00 0.00 C ATOM 599 C THR A 230 -2.667 4.338 -9.931 1.00 0.00 C ATOM 600 O THR A 230 -1.545 4.077 -10.318 1.00 0.00 O ATOM 601 CB THR A 230 -4.366 4.544 -11.808 1.00 0.00 C ATOM 602 OG1 THR A 230 -3.643 4.155 -12.967 1.00 0.00 O ATOM 603 CG2 THR A 230 -4.143 6.030 -11.552 1.00 0.00 C ATOM 0 H THR A 230 -5.357 4.391 -9.208 1.00 0.00 H new ATOM 0 HA THR A 230 -3.585 2.722 -10.971 1.00 0.00 H new ATOM 0 HB THR A 230 -5.433 4.373 -11.953 1.00 0.00 H new ATOM 0 HG1 THR A 230 -3.942 4.688 -13.733 1.00 0.00 H new ATOM 0 HG21 THR A 230 -4.485 6.603 -12.414 1.00 0.00 H new ATOM 0 HG22 THR A 230 -4.703 6.335 -10.668 1.00 0.00 H new ATOM 0 HG23 THR A 230 -3.081 6.216 -11.391 1.00 0.00 H new ATOM 611 N LYS A 231 -2.850 5.143 -8.913 1.00 0.00 N ATOM 612 CA LYS A 231 -1.659 5.743 -8.228 1.00 0.00 C ATOM 613 C LYS A 231 -1.668 5.349 -6.747 1.00 0.00 C ATOM 614 O LYS A 231 -0.647 5.365 -6.088 1.00 0.00 O ATOM 615 CB LYS A 231 -1.662 7.274 -8.338 1.00 0.00 C ATOM 616 CG LYS A 231 -3.061 7.790 -8.648 1.00 0.00 C ATOM 617 CD LYS A 231 -3.991 7.448 -7.492 1.00 0.00 C ATOM 618 CE LYS A 231 -5.216 8.361 -7.547 1.00 0.00 C ATOM 619 NZ LYS A 231 -4.817 9.742 -7.160 1.00 0.00 N ATOM 0 H LYS A 231 -3.757 5.409 -8.530 1.00 0.00 H new ATOM 0 HA LYS A 231 -0.762 5.363 -8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 231 -1.307 7.711 -7.405 1.00 0.00 H new ATOM 0 HB3 LYS A 231 -0.972 7.588 -9.121 1.00 0.00 H new ATOM 0 HG2 LYS A 231 -3.037 8.869 -8.804 1.00 0.00 H new ATOM 0 HG3 LYS A 231 -3.430 7.343 -9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 231 -4.298 6.404 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 231 -3.471 7.573 -6.542 1.00 0.00 H new ATOM 0 HE2 LYS A 231 -5.640 8.360 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 231 -5.990 7.992 -6.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 231 -5.558 10.412 -7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 231 -4.690 9.791 -6.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 231 -3.923 9.990 -7.631 1.00 0.00 H new ATOM 633 N CYS A 232 -2.809 4.997 -6.220 1.00 0.00 N ATOM 634 CA CYS A 232 -2.881 4.604 -4.780 1.00 0.00 C ATOM 635 C CYS A 232 -3.213 3.116 -4.673 1.00 0.00 C ATOM 636 O CYS A 232 -3.773 2.656 -3.698 1.00 0.00 O ATOM 637 CB CYS A 232 -3.960 5.427 -4.081 1.00 0.00 C ATOM 638 SG CYS A 232 -3.464 7.163 -4.068 1.00 0.00 S ATOM 0 H CYS A 232 -3.696 4.964 -6.723 1.00 0.00 H new ATOM 0 HA CYS A 232 -1.920 4.792 -4.302 1.00 0.00 H new ATOM 0 HB2 CYS A 232 -4.913 5.312 -4.597 1.00 0.00 H new ATOM 0 HB3 CYS A 232 -4.104 5.070 -3.061 1.00 0.00 H new ATOM 643 N GLN A 233 -2.867 2.365 -5.677 1.00 0.00 N ATOM 644 CA GLN A 233 -3.153 0.903 -5.665 1.00 0.00 C ATOM 645 C GLN A 233 -2.607 0.269 -4.383 1.00 0.00 C ATOM 646 O GLN A 233 -3.190 -0.649 -3.843 1.00 0.00 O ATOM 647 CB GLN A 233 -2.476 0.269 -6.880 1.00 0.00 C ATOM 648 CG GLN A 233 -3.099 0.850 -8.149 1.00 0.00 C ATOM 649 CD GLN A 233 -2.363 0.319 -9.379 1.00 0.00 C ATOM 650 OE1 GLN A 233 -1.328 -0.305 -9.264 1.00 0.00 O ATOM 651 NE2 GLN A 233 -2.860 0.551 -10.562 1.00 0.00 N ATOM 0 H GLN A 233 -2.393 2.703 -6.515 1.00 0.00 H new ATOM 0 HA GLN A 233 -4.230 0.737 -5.702 1.00 0.00 H new ATOM 0 HB2 GLN A 233 -1.404 0.467 -6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 233 -2.601 -0.814 -6.860 1.00 0.00 H new ATOM 0 HG2 GLN A 233 -4.154 0.582 -8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 233 -3.047 1.938 -8.125 1.00 0.00 H new ATOM 0 HE21 GLN A 233 -3.730 1.076 -10.656 1.00 0.00 H new ATOM 0 HE22 GLN A 233 -2.379 0.208 -11.393 1.00 0.00 H new ATOM 660 N ALA A 234 -1.502 0.744 -3.882 1.00 0.00 N ATOM 661 CA ALA A 234 -0.951 0.146 -2.634 1.00 0.00 C ATOM 662 C ALA A 234 -1.886 0.460 -1.471 1.00 0.00 C ATOM 663 O ALA A 234 -2.108 -0.355 -0.596 1.00 0.00 O ATOM 664 CB ALA A 234 0.431 0.724 -2.347 1.00 0.00 C ATOM 0 H ALA A 234 -0.961 1.513 -4.277 1.00 0.00 H new ATOM 0 HA ALA A 234 -0.867 -0.934 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 234 0.828 0.282 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 234 1.099 0.499 -3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 234 0.355 1.804 -2.224 1.00 0.00 H new ATOM 670 N THR A 235 -2.439 1.640 -1.456 1.00 0.00 N ATOM 671 CA THR A 235 -3.366 2.016 -0.358 1.00 0.00 C ATOM 672 C THR A 235 -4.713 1.327 -0.576 1.00 0.00 C ATOM 673 O THR A 235 -5.382 0.942 0.361 1.00 0.00 O ATOM 674 CB THR A 235 -3.552 3.535 -0.352 1.00 0.00 C ATOM 675 OG1 THR A 235 -2.623 4.120 0.549 1.00 0.00 O ATOM 676 CG2 THR A 235 -4.978 3.882 0.079 1.00 0.00 C ATOM 0 H THR A 235 -2.287 2.362 -2.161 1.00 0.00 H new ATOM 0 HA THR A 235 -2.953 1.701 0.600 1.00 0.00 H new ATOM 0 HB THR A 235 -3.380 3.924 -1.355 1.00 0.00 H new ATOM 0 HG1 THR A 235 -1.719 3.809 0.334 1.00 0.00 H new ATOM 0 HG21 THR A 235 -5.104 4.965 0.081 1.00 0.00 H new ATOM 0 HG22 THR A 235 -5.687 3.435 -0.618 1.00 0.00 H new ATOM 0 HG23 THR A 235 -5.160 3.493 1.081 1.00 0.00 H new ATOM 684 N CYS A 236 -5.119 1.175 -1.805 1.00 0.00 N ATOM 685 CA CYS A 236 -6.425 0.516 -2.082 1.00 0.00 C ATOM 686 C CYS A 236 -6.226 -0.989 -2.286 1.00 0.00 C ATOM 687 O CYS A 236 -6.731 -1.801 -1.538 1.00 0.00 O ATOM 688 CB CYS A 236 -7.028 1.113 -3.354 1.00 0.00 C ATOM 689 SG CYS A 236 -8.768 0.631 -3.494 1.00 0.00 S ATOM 0 H CYS A 236 -4.602 1.479 -2.630 1.00 0.00 H new ATOM 0 HA CYS A 236 -7.091 0.679 -1.235 1.00 0.00 H new ATOM 0 HB2 CYS A 236 -6.943 2.199 -3.332 1.00 0.00 H new ATOM 0 HB3 CYS A 236 -6.474 0.767 -4.227 1.00 0.00 H new ATOM 694 N LEU A 237 -5.508 -1.362 -3.309 1.00 0.00 N ATOM 695 CA LEU A 237 -5.289 -2.808 -3.585 1.00 0.00 C ATOM 696 C LEU A 237 -4.469 -3.456 -2.463 1.00 0.00 C ATOM 697 O LEU A 237 -4.629 -4.625 -2.169 1.00 0.00 O ATOM 698 CB LEU A 237 -4.569 -2.962 -4.924 1.00 0.00 C ATOM 699 CG LEU A 237 -5.400 -2.307 -6.023 1.00 0.00 C ATOM 700 CD1 LEU A 237 -4.691 -2.476 -7.369 1.00 0.00 C ATOM 701 CD2 LEU A 237 -6.766 -2.987 -6.082 1.00 0.00 C ATOM 0 H LEU A 237 -5.062 -0.724 -3.968 1.00 0.00 H new ATOM 0 HA LEU A 237 -6.254 -3.312 -3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 237 -3.583 -2.501 -4.874 1.00 0.00 H new ATOM 0 HB3 LEU A 237 -4.416 -4.018 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 237 -5.522 -1.245 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 237 -5.285 -2.008 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 237 -3.710 -2.003 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 237 -4.573 -3.537 -7.587 1.00 0.00 H new ATOM 0 HD21 LEU A 237 -7.368 -2.526 -6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 237 -6.636 -4.047 -6.301 1.00 0.00 H new ATOM 0 HD23 LEU A 237 -7.270 -2.874 -5.122 1.00 0.00 H new