USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 442 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 186 MET CE :methyl 178:sc= 0 (180deg=-0.00794) USER MOD Single : A 187 TYR OH : rot 180:sc= 0 USER MOD Single : A 190 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 192 THR OG1 : rot -111:sc= 1.26 USER MOD Single : A 195 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0.04) USER MOD Single : A 203 GLN : amide:sc= -0.906 K(o=-0.91,f=-3.7!) USER MOD Single : A 205 TYR OH : rot -103:sc= 1.56 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 ASN : amide:sc= -0.0348 X(o=-0.035,f=-0.035) USER MOD Single : A 214 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 221 LYS NZ :NH3+ 144:sc= -0.112 (180deg=-0.578) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot -170:sc= -0.683 USER MOD Single : A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 SER OG : rot 126:sc= 1.11 USER MOD Single : A 231 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= -0.0497 USER MOD Single : A 236 LYS NZ :NH3+ -167:sc=-0.00273 (180deg=-0.196) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.695 0.608 -5.379 1.00 0.00 N ATOM 37 CA ILE A 182 -3.150 1.006 -4.091 1.00 0.00 C ATOM 38 C ILE A 182 -1.972 0.126 -3.689 1.00 0.00 C ATOM 39 O ILE A 182 -1.993 -1.092 -3.881 1.00 0.00 O ATOM 40 CB ILE A 182 -4.224 0.980 -2.985 1.00 0.00 C ATOM 41 CG1 ILE A 182 -5.056 -0.302 -3.071 1.00 0.00 C ATOM 42 CG2 ILE A 182 -5.121 2.204 -3.086 1.00 0.00 C ATOM 43 CD1 ILE A 182 -6.175 -0.360 -2.052 1.00 0.00 C ATOM 0 HA ILE A 182 -2.797 2.031 -4.204 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.721 0.998 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -5.481 -0.385 -4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -4.401 -1.162 -2.930 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.873 2.170 -2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.519 3.106 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.614 2.215 -4.058 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -6.725 -1.294 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -5.755 -0.308 -1.047 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -6.851 0.481 -2.206 1.00 0.00 H new ATOM 55 N VAL A 183 -0.943 0.752 -3.138 1.00 0.00 N ATOM 56 CA VAL A 183 0.249 0.038 -2.716 1.00 0.00 C ATOM 57 C VAL A 183 0.499 0.237 -1.222 1.00 0.00 C ATOM 58 O VAL A 183 0.299 1.329 -0.698 1.00 0.00 O ATOM 59 CB VAL A 183 1.488 0.507 -3.520 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.294 0.251 -5.000 1.00 0.00 C ATOM 61 CG2 VAL A 183 1.762 1.984 -3.297 1.00 0.00 C ATOM 0 H VAL A 183 -0.911 1.758 -2.973 1.00 0.00 H new ATOM 0 HA VAL A 183 0.086 -1.022 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 183 2.344 -0.066 -3.163 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.175 0.588 -5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.148 -0.816 -5.169 1.00 0.00 H new ATOM 0 HG13 VAL A 183 0.419 0.797 -5.352 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.637 2.283 -3.874 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.899 2.567 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 183 1.947 2.164 -2.238 1.00 0.00 H new ATOM 71 N VAL A 184 0.944 -0.805 -0.535 1.00 0.00 N ATOM 72 CA VAL A 184 1.216 -0.692 0.890 1.00 0.00 C ATOM 73 C VAL A 184 2.728 -0.735 1.156 1.00 0.00 C ATOM 74 O VAL A 184 3.444 -1.628 0.682 1.00 0.00 O ATOM 75 CB VAL A 184 0.470 -1.776 1.718 1.00 0.00 C ATOM 76 CG1 VAL A 184 -1.012 -1.804 1.352 1.00 0.00 C ATOM 77 CG2 VAL A 184 1.082 -3.155 1.539 1.00 0.00 C ATOM 0 H VAL A 184 1.122 -1.726 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 184 0.834 0.274 1.219 1.00 0.00 H new ATOM 0 HB VAL A 184 0.574 -1.506 2.769 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -1.518 -2.569 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -1.457 -0.831 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -1.121 -2.032 0.292 1.00 0.00 H new ATOM 0 HG21 VAL A 184 0.528 -3.879 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 184 1.036 -3.440 0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 184 2.122 -3.136 1.864 1.00 0.00 H new ATOM 87 N ALA A 185 3.217 0.257 1.892 1.00 0.00 N ATOM 88 CA ALA A 185 4.641 0.356 2.210 1.00 0.00 C ATOM 89 C ALA A 185 5.024 -0.657 3.281 1.00 0.00 C ATOM 90 O ALA A 185 4.306 -0.831 4.265 1.00 0.00 O ATOM 91 CB ALA A 185 4.983 1.765 2.673 1.00 0.00 C ATOM 0 H ALA A 185 2.647 1.008 2.282 1.00 0.00 H new ATOM 0 HA ALA A 185 5.210 0.135 1.307 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.046 1.823 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.745 2.476 1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.403 2.006 3.563 1.00 0.00 H new ATOM 97 N MET A 186 6.158 -1.316 3.091 1.00 0.00 N ATOM 98 CA MET A 186 6.632 -2.308 4.049 1.00 0.00 C ATOM 99 C MET A 186 7.752 -1.745 4.908 1.00 0.00 C ATOM 100 O MET A 186 7.732 -1.872 6.131 1.00 0.00 O ATOM 101 CB MET A 186 7.118 -3.572 3.330 1.00 0.00 C ATOM 102 CG MET A 186 6.000 -4.381 2.692 1.00 0.00 C ATOM 103 SD MET A 186 4.827 -5.017 3.908 1.00 0.00 S ATOM 104 CE MET A 186 3.694 -5.908 2.855 1.00 0.00 C ATOM 0 H MET A 186 6.767 -1.183 2.284 1.00 0.00 H new ATOM 0 HA MET A 186 5.793 -2.569 4.694 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.834 -3.288 2.559 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.650 -4.203 4.042 1.00 0.00 H new ATOM 0 HG2 MET A 186 5.470 -3.758 1.972 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.430 -5.214 2.136 1.00 0.00 H new ATOM 0 HE1 MET A 186 2.930 -6.388 3.466 1.00 0.00 H new ATOM 0 HE2 MET A 186 3.220 -5.214 2.161 1.00 0.00 H new ATOM 0 HE3 MET A 186 4.239 -6.667 2.294 1.00 0.00 H new ATOM 114 N TYR A 187 8.731 -1.128 4.267 1.00 0.00 N ATOM 115 CA TYR A 187 9.862 -0.553 4.985 1.00 0.00 C ATOM 116 C TYR A 187 9.717 0.959 5.099 1.00 0.00 C ATOM 117 O TYR A 187 8.796 1.550 4.534 1.00 0.00 O ATOM 118 CB TYR A 187 11.175 -0.906 4.287 1.00 0.00 C ATOM 119 CG TYR A 187 11.405 -2.395 4.146 1.00 0.00 C ATOM 120 CD1 TYR A 187 11.431 -3.221 5.261 1.00 0.00 C ATOM 121 CD2 TYR A 187 11.594 -2.973 2.897 1.00 0.00 C ATOM 122 CE1 TYR A 187 11.636 -4.582 5.137 1.00 0.00 C ATOM 123 CE2 TYR A 187 11.800 -4.333 2.766 1.00 0.00 C ATOM 124 CZ TYR A 187 11.819 -5.134 3.889 1.00 0.00 C ATOM 125 OH TYR A 187 12.019 -6.489 3.768 1.00 0.00 O ATOM 0 H TYR A 187 8.768 -1.011 3.254 1.00 0.00 H new ATOM 0 HA TYR A 187 9.876 -0.975 5.990 1.00 0.00 H new ATOM 0 HB2 TYR A 187 11.184 -0.450 3.297 1.00 0.00 H new ATOM 0 HB3 TYR A 187 12.003 -0.470 4.847 1.00 0.00 H new ATOM 0 HD1 TYR A 187 11.289 -2.793 6.242 1.00 0.00 H new ATOM 0 HD2 TYR A 187 11.580 -2.350 2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 187 11.653 -5.210 6.015 1.00 0.00 H new ATOM 0 HE2 TYR A 187 11.946 -4.767 1.788 1.00 0.00 H new ATOM 0 HH TYR A 187 12.130 -6.720 2.822 1.00 0.00 H new ATOM 135 N ASP A 188 10.632 1.583 5.831 1.00 0.00 N ATOM 136 CA ASP A 188 10.606 3.028 6.019 1.00 0.00 C ATOM 137 C ASP A 188 11.524 3.725 5.024 1.00 0.00 C ATOM 138 O ASP A 188 12.644 3.274 4.778 1.00 0.00 O ATOM 139 CB ASP A 188 11.015 3.389 7.456 1.00 0.00 C ATOM 140 CG ASP A 188 11.119 4.885 7.686 1.00 0.00 C ATOM 141 OD1 ASP A 188 12.100 5.499 7.223 1.00 0.00 O ATOM 142 OD2 ASP A 188 10.218 5.448 8.329 1.00 0.00 O ATOM 0 H ASP A 188 11.402 1.110 6.304 1.00 0.00 H new ATOM 0 HA ASP A 188 9.587 3.372 5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 188 10.287 2.970 8.151 1.00 0.00 H new ATOM 0 HB3 ASP A 188 11.975 2.925 7.682 1.00 0.00 H new ATOM 147 N PHE A 189 11.056 4.834 4.475 1.00 0.00 N ATOM 148 CA PHE A 189 11.847 5.608 3.530 1.00 0.00 C ATOM 149 C PHE A 189 11.537 7.085 3.706 1.00 0.00 C ATOM 150 O PHE A 189 10.391 7.449 3.962 1.00 0.00 O ATOM 151 CB PHE A 189 11.557 5.161 2.095 1.00 0.00 C ATOM 152 CG PHE A 189 12.461 5.782 1.068 1.00 0.00 C ATOM 153 CD1 PHE A 189 13.833 5.636 1.157 1.00 0.00 C ATOM 154 CD2 PHE A 189 11.933 6.503 0.009 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.664 6.200 0.209 1.00 0.00 C ATOM 156 CE2 PHE A 189 12.759 7.068 -0.940 1.00 0.00 C ATOM 157 CZ PHE A 189 14.127 6.915 -0.840 1.00 0.00 C ATOM 0 H PHE A 189 10.131 5.219 4.667 1.00 0.00 H new ATOM 0 HA PHE A 189 12.906 5.440 3.725 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.649 4.076 2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.523 5.406 1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.259 5.075 1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 189 10.863 6.624 -0.074 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.734 6.081 0.290 1.00 0.00 H new ATOM 0 HE2 PHE A 189 12.336 7.629 -1.760 1.00 0.00 H new ATOM 0 HZ PHE A 189 14.776 7.355 -1.583 1.00 0.00 H new ATOM 167 N GLN A 190 12.553 7.930 3.587 1.00 0.00 N ATOM 168 CA GLN A 190 12.363 9.367 3.752 1.00 0.00 C ATOM 169 C GLN A 190 12.174 10.061 2.410 1.00 0.00 C ATOM 170 O GLN A 190 12.664 9.597 1.382 1.00 0.00 O ATOM 171 CB GLN A 190 13.556 9.986 4.480 1.00 0.00 C ATOM 172 CG GLN A 190 14.877 9.813 3.750 1.00 0.00 C ATOM 173 CD GLN A 190 15.972 10.661 4.352 1.00 0.00 C ATOM 174 OE1 GLN A 190 16.344 10.484 5.511 1.00 0.00 O ATOM 175 NE2 GLN A 190 16.483 11.597 3.572 1.00 0.00 N ATOM 0 H GLN A 190 13.511 7.649 3.378 1.00 0.00 H new ATOM 0 HA GLN A 190 11.461 9.510 4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 190 13.369 11.050 4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 190 13.638 9.538 5.470 1.00 0.00 H new ATOM 0 HG2 GLN A 190 15.173 8.764 3.780 1.00 0.00 H new ATOM 0 HG3 GLN A 190 14.749 10.078 2.701 1.00 0.00 H new ATOM 0 HE21 GLN A 190 16.143 11.707 2.617 1.00 0.00 H new ATOM 0 HE22 GLN A 190 17.218 12.210 3.925 1.00 0.00 H new ATOM 184 N ALA A 191 11.481 11.187 2.437 1.00 0.00 N ATOM 185 CA ALA A 191 11.243 11.970 1.238 1.00 0.00 C ATOM 186 C ALA A 191 12.193 13.148 1.197 1.00 0.00 C ATOM 187 O ALA A 191 12.714 13.565 2.230 1.00 0.00 O ATOM 188 CB ALA A 191 9.807 12.466 1.191 1.00 0.00 C ATOM 0 H ALA A 191 11.071 11.581 3.284 1.00 0.00 H new ATOM 0 HA ALA A 191 11.416 11.332 0.371 1.00 0.00 H new ATOM 0 HB1 ALA A 191 9.653 13.050 0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 191 9.127 11.614 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 191 9.609 13.090 2.062 1.00 0.00 H new ATOM 194 N THR A 192 12.401 13.701 0.021 1.00 0.00 N ATOM 195 CA THR A 192 13.274 14.850 -0.118 1.00 0.00 C ATOM 196 C THR A 192 12.500 16.132 0.162 1.00 0.00 C ATOM 197 O THR A 192 12.879 16.927 1.026 1.00 0.00 O ATOM 198 CB THR A 192 13.882 14.870 -1.520 1.00 0.00 C ATOM 199 OG1 THR A 192 12.888 14.592 -2.498 1.00 0.00 O ATOM 200 CG2 THR A 192 14.998 13.860 -1.703 1.00 0.00 C ATOM 0 H THR A 192 11.980 13.376 -0.850 1.00 0.00 H new ATOM 0 HA THR A 192 14.084 14.779 0.607 1.00 0.00 H new ATOM 0 HB THR A 192 14.295 15.871 -1.645 1.00 0.00 H new ATOM 0 HG1 THR A 192 13.065 13.718 -2.905 1.00 0.00 H new ATOM 0 HG21 THR A 192 15.386 13.926 -2.720 1.00 0.00 H new ATOM 0 HG22 THR A 192 15.799 14.071 -0.995 1.00 0.00 H new ATOM 0 HG23 THR A 192 14.612 12.856 -1.527 1.00 0.00 H new ATOM 208 N GLU A 193 11.400 16.313 -0.561 1.00 0.00 N ATOM 209 CA GLU A 193 10.548 17.487 -0.400 1.00 0.00 C ATOM 210 C GLU A 193 9.218 17.289 -1.115 1.00 0.00 C ATOM 211 O GLU A 193 8.162 17.675 -0.607 1.00 0.00 O ATOM 212 CB GLU A 193 11.255 18.739 -0.941 1.00 0.00 C ATOM 213 CG GLU A 193 11.823 18.568 -2.343 1.00 0.00 C ATOM 214 CD GLU A 193 12.428 19.839 -2.883 1.00 0.00 C ATOM 215 OE1 GLU A 193 13.376 20.350 -2.265 1.00 0.00 O ATOM 216 OE2 GLU A 193 11.948 20.330 -3.921 1.00 0.00 O ATOM 0 H GLU A 193 11.075 15.656 -1.270 1.00 0.00 H new ATOM 0 HA GLU A 193 10.353 17.623 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 193 10.550 19.570 -0.944 1.00 0.00 H new ATOM 0 HB3 GLU A 193 12.064 19.010 -0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 193 12.582 17.786 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 193 11.031 18.234 -3.013 1.00 0.00 H new ATOM 223 N ALA A 194 9.282 16.681 -2.297 1.00 0.00 N ATOM 224 CA ALA A 194 8.093 16.424 -3.104 1.00 0.00 C ATOM 225 C ALA A 194 8.360 15.351 -4.155 1.00 0.00 C ATOM 226 O ALA A 194 7.453 14.603 -4.521 1.00 0.00 O ATOM 227 CB ALA A 194 7.610 17.703 -3.769 1.00 0.00 C ATOM 0 H ALA A 194 10.152 16.355 -2.719 1.00 0.00 H new ATOM 0 HA ALA A 194 7.312 16.059 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 194 6.723 17.490 -4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 194 7.365 18.440 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 194 8.395 18.097 -4.414 1.00 0.00 H new ATOM 233 N HIS A 195 9.604 15.290 -4.643 1.00 0.00 N ATOM 234 CA HIS A 195 9.990 14.305 -5.657 1.00 0.00 C ATOM 235 C HIS A 195 9.814 12.892 -5.118 1.00 0.00 C ATOM 236 O HIS A 195 9.277 12.018 -5.798 1.00 0.00 O ATOM 237 CB HIS A 195 11.450 14.507 -6.090 1.00 0.00 C ATOM 238 CG HIS A 195 11.926 13.501 -7.097 1.00 0.00 C ATOM 239 ND1 HIS A 195 11.518 13.498 -8.415 1.00 0.00 N ATOM 240 CD2 HIS A 195 12.757 12.442 -6.959 1.00 0.00 C ATOM 241 CE1 HIS A 195 12.081 12.477 -9.043 1.00 0.00 C ATOM 242 NE2 HIS A 195 12.838 11.820 -8.180 1.00 0.00 N ATOM 0 H HIS A 195 10.359 15.911 -4.352 1.00 0.00 H new ATOM 0 HA HIS A 195 9.343 14.446 -6.523 1.00 0.00 H new ATOM 0 HB2 HIS A 195 11.560 15.507 -6.509 1.00 0.00 H new ATOM 0 HB3 HIS A 195 12.091 14.458 -5.210 1.00 0.00 H new ATOM 0 HD2 HIS A 195 13.264 12.141 -6.054 1.00 0.00 H new ATOM 0 HE1 HIS A 195 11.945 12.224 -10.084 1.00 0.00 H new ATOM 0 HE2 HIS A 195 13.391 10.988 -8.388 1.00 0.00 H new ATOM 251 N ASP A 196 10.281 12.685 -3.893 1.00 0.00 N ATOM 252 CA ASP A 196 10.188 11.385 -3.245 1.00 0.00 C ATOM 253 C ASP A 196 9.057 11.393 -2.230 1.00 0.00 C ATOM 254 O ASP A 196 8.626 12.456 -1.778 1.00 0.00 O ATOM 255 CB ASP A 196 11.499 11.027 -2.527 1.00 0.00 C ATOM 256 CG ASP A 196 12.712 11.096 -3.423 1.00 0.00 C ATOM 257 OD1 ASP A 196 13.106 12.214 -3.811 1.00 0.00 O ATOM 258 OD2 ASP A 196 13.286 10.034 -3.726 1.00 0.00 O ATOM 0 H ASP A 196 10.730 13.405 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 196 9.995 10.640 -4.017 1.00 0.00 H new ATOM 0 HB2 ASP A 196 11.640 11.704 -1.685 1.00 0.00 H new ATOM 0 HB3 ASP A 196 11.417 10.021 -2.116 1.00 0.00 H new ATOM 263 N LEU A 197 8.599 10.209 -1.852 1.00 0.00 N ATOM 264 CA LEU A 197 7.538 10.082 -0.864 1.00 0.00 C ATOM 265 C LEU A 197 8.020 9.262 0.322 1.00 0.00 C ATOM 266 O LEU A 197 8.775 8.305 0.159 1.00 0.00 O ATOM 267 CB LEU A 197 6.300 9.414 -1.469 1.00 0.00 C ATOM 268 CG LEU A 197 5.138 9.187 -0.491 1.00 0.00 C ATOM 269 CD1 LEU A 197 4.674 10.498 0.127 1.00 0.00 C ATOM 270 CD2 LEU A 197 3.984 8.502 -1.193 1.00 0.00 C ATOM 0 H LEU A 197 8.946 9.321 -2.215 1.00 0.00 H new ATOM 0 HA LEU A 197 7.270 11.085 -0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 197 5.943 10.027 -2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.594 8.452 -1.889 1.00 0.00 H new ATOM 0 HG LEU A 197 5.497 8.543 0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 197 3.851 10.305 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 197 5.500 10.957 0.670 1.00 0.00 H new ATOM 0 HD13 LEU A 197 4.338 11.173 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 197 3.168 8.348 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 197 3.638 9.126 -2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 197 4.315 7.539 -1.581 1.00 0.00 H new ATOM 282 N ARG A 198 7.568 9.627 1.513 1.00 0.00 N ATOM 283 CA ARG A 198 7.939 8.897 2.707 1.00 0.00 C ATOM 284 C ARG A 198 7.156 7.603 2.793 1.00 0.00 C ATOM 285 O ARG A 198 5.931 7.595 2.649 1.00 0.00 O ATOM 286 CB ARG A 198 7.698 9.723 3.970 1.00 0.00 C ATOM 287 CG ARG A 198 8.844 10.653 4.319 1.00 0.00 C ATOM 288 CD ARG A 198 9.013 10.789 5.829 1.00 0.00 C ATOM 289 NE ARG A 198 9.192 9.490 6.492 1.00 0.00 N ATOM 290 CZ ARG A 198 8.215 8.832 7.122 1.00 0.00 C ATOM 291 NH1 ARG A 198 7.025 9.393 7.269 1.00 0.00 N ATOM 292 NH2 ARG A 198 8.435 7.622 7.621 1.00 0.00 N ATOM 0 H ARG A 198 6.947 10.420 1.674 1.00 0.00 H new ATOM 0 HA ARG A 198 9.005 8.679 2.640 1.00 0.00 H new ATOM 0 HB2 ARG A 198 6.790 10.312 3.840 1.00 0.00 H new ATOM 0 HB3 ARG A 198 7.522 9.047 4.807 1.00 0.00 H new ATOM 0 HG2 ARG A 198 9.768 10.274 3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 198 8.663 11.635 3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 198 9.874 11.423 6.040 1.00 0.00 H new ATOM 0 HD3 ARG A 198 8.139 11.289 6.246 1.00 0.00 H new ATOM 0 HE ARG A 198 10.119 9.065 6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 198 6.853 10.329 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 198 6.280 8.890 7.750 1.00 0.00 H new ATOM 0 HH21 ARG A 198 9.354 7.190 7.524 1.00 0.00 H new ATOM 0 HH22 ARG A 198 7.685 7.124 8.101 1.00 0.00 H new ATOM 306 N LEU A 199 7.853 6.515 3.034 1.00 0.00 N ATOM 307 CA LEU A 199 7.204 5.231 3.155 1.00 0.00 C ATOM 308 C LEU A 199 7.014 4.884 4.611 1.00 0.00 C ATOM 309 O LEU A 199 7.980 4.792 5.376 1.00 0.00 O ATOM 310 CB LEU A 199 7.990 4.133 2.438 1.00 0.00 C ATOM 311 CG LEU A 199 7.829 4.107 0.917 1.00 0.00 C ATOM 312 CD1 LEU A 199 6.377 4.304 0.533 1.00 0.00 C ATOM 313 CD2 LEU A 199 8.698 5.153 0.250 1.00 0.00 C ATOM 0 H LEU A 199 8.866 6.494 3.150 1.00 0.00 H new ATOM 0 HA LEU A 199 6.228 5.300 2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 199 9.048 4.252 2.674 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.681 3.167 2.837 1.00 0.00 H new ATOM 0 HG LEU A 199 8.156 3.128 0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 199 6.282 4.283 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 199 5.775 3.505 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 199 6.029 5.266 0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 199 8.559 5.107 -0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 199 8.417 6.143 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 199 9.744 4.963 0.490 1.00 0.00 H new ATOM 325 N GLU A 200 5.757 4.716 4.984 1.00 0.00 N ATOM 326 CA GLU A 200 5.389 4.393 6.344 1.00 0.00 C ATOM 327 C GLU A 200 5.101 2.912 6.448 1.00 0.00 C ATOM 328 O GLU A 200 4.319 2.374 5.665 1.00 0.00 O ATOM 329 CB GLU A 200 4.160 5.202 6.761 1.00 0.00 C ATOM 330 CG GLU A 200 3.893 5.204 8.259 1.00 0.00 C ATOM 331 CD GLU A 200 4.892 6.044 9.028 1.00 0.00 C ATOM 332 OE1 GLU A 200 5.672 6.783 8.391 1.00 0.00 O ATOM 333 OE2 GLU A 200 4.896 5.968 10.270 1.00 0.00 O ATOM 0 H GLU A 200 4.964 4.801 4.348 1.00 0.00 H new ATOM 0 HA GLU A 200 6.213 4.646 7.012 1.00 0.00 H new ATOM 0 HB2 GLU A 200 4.285 6.231 6.424 1.00 0.00 H new ATOM 0 HB3 GLU A 200 3.285 4.803 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 200 2.887 5.582 8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 200 3.923 4.180 8.631 1.00 0.00 H new ATOM 340 N ARG A 201 5.743 2.257 7.403 1.00 0.00 N ATOM 341 CA ARG A 201 5.569 0.824 7.604 1.00 0.00 C ATOM 342 C ARG A 201 4.111 0.486 7.920 1.00 0.00 C ATOM 343 O ARG A 201 3.662 0.626 9.059 1.00 0.00 O ATOM 344 CB ARG A 201 6.494 0.332 8.726 1.00 0.00 C ATOM 345 CG ARG A 201 7.960 0.657 8.479 1.00 0.00 C ATOM 346 CD ARG A 201 8.858 0.136 9.591 1.00 0.00 C ATOM 347 NE ARG A 201 10.260 0.490 9.354 1.00 0.00 N ATOM 348 CZ ARG A 201 11.265 0.107 10.139 1.00 0.00 C ATOM 349 NH1 ARG A 201 11.033 -0.657 11.197 1.00 0.00 N ATOM 350 NH2 ARG A 201 12.506 0.498 9.870 1.00 0.00 N ATOM 0 H ARG A 201 6.393 2.696 8.055 1.00 0.00 H new ATOM 0 HA ARG A 201 5.836 0.313 6.679 1.00 0.00 H new ATOM 0 HB2 ARG A 201 6.182 0.782 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 201 6.381 -0.747 8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 201 8.272 0.223 7.529 1.00 0.00 H new ATOM 0 HG3 ARG A 201 8.082 1.737 8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 201 8.533 0.548 10.546 1.00 0.00 H new ATOM 0 HD3 ARG A 201 8.761 -0.947 9.662 1.00 0.00 H new ATOM 0 HE ARG A 201 10.479 1.064 8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 201 10.081 -0.954 11.413 1.00 0.00 H new ATOM 0 HH12 ARG A 201 11.806 -0.948 11.795 1.00 0.00 H new ATOM 0 HH21 ARG A 201 12.690 1.092 9.061 1.00 0.00 H new ATOM 0 HH22 ARG A 201 13.275 0.204 10.472 1.00 0.00 H new ATOM 364 N GLY A 202 3.377 0.045 6.898 1.00 0.00 N ATOM 365 CA GLY A 202 1.980 -0.306 7.074 1.00 0.00 C ATOM 366 C GLY A 202 1.022 0.703 6.465 1.00 0.00 C ATOM 367 O GLY A 202 -0.194 0.537 6.561 1.00 0.00 O ATOM 0 H GLY A 202 3.729 -0.075 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 202 1.800 -1.283 6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.768 -0.400 8.139 1.00 0.00 H new ATOM 371 N GLN A 203 1.550 1.753 5.838 1.00 0.00 N ATOM 372 CA GLN A 203 0.700 2.776 5.228 1.00 0.00 C ATOM 373 C GLN A 203 0.392 2.423 3.779 1.00 0.00 C ATOM 374 O GLN A 203 1.250 1.901 3.065 1.00 0.00 O ATOM 375 CB GLN A 203 1.383 4.143 5.276 1.00 0.00 C ATOM 376 CG GLN A 203 0.441 5.313 5.036 1.00 0.00 C ATOM 377 CD GLN A 203 -0.537 5.531 6.178 1.00 0.00 C ATOM 378 OE1 GLN A 203 -1.317 4.644 6.519 1.00 0.00 O ATOM 379 NE2 GLN A 203 -0.497 6.711 6.782 1.00 0.00 N ATOM 0 H GLN A 203 2.552 1.918 5.739 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.230 2.817 5.795 1.00 0.00 H new ATOM 0 HB2 GLN A 203 1.859 4.266 6.249 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.176 4.168 4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 203 1.027 6.220 4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 203 -0.116 5.141 4.115 1.00 0.00 H new ATOM 0 HE21 GLN A 203 0.165 7.422 6.470 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -1.128 6.908 7.559 1.00 0.00 H new ATOM 388 N GLU A 204 -0.824 2.728 3.348 1.00 0.00 N ATOM 389 CA GLU A 204 -1.237 2.457 1.982 1.00 0.00 C ATOM 390 C GLU A 204 -1.314 3.750 1.173 1.00 0.00 C ATOM 391 O GLU A 204 -1.811 4.768 1.651 1.00 0.00 O ATOM 392 CB GLU A 204 -2.579 1.716 1.976 1.00 0.00 C ATOM 393 CG GLU A 204 -3.621 2.321 2.903 1.00 0.00 C ATOM 394 CD GLU A 204 -4.841 1.439 3.053 1.00 0.00 C ATOM 395 OE1 GLU A 204 -4.683 0.292 3.516 1.00 0.00 O ATOM 396 OE2 GLU A 204 -5.951 1.887 2.715 1.00 0.00 O ATOM 0 H GLU A 204 -1.542 3.164 3.927 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.491 1.818 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -2.973 1.706 0.960 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -2.411 0.678 2.263 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -3.176 2.491 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -3.925 3.294 2.518 1.00 0.00 H new ATOM 403 N TYR A 205 -0.804 3.698 -0.048 1.00 0.00 N ATOM 404 CA TYR A 205 -0.791 4.851 -0.940 1.00 0.00 C ATOM 405 C TYR A 205 -1.428 4.490 -2.273 1.00 0.00 C ATOM 406 O TYR A 205 -1.582 3.315 -2.596 1.00 0.00 O ATOM 407 CB TYR A 205 0.650 5.313 -1.190 1.00 0.00 C ATOM 408 CG TYR A 205 1.460 5.542 0.063 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.091 6.509 0.985 1.00 0.00 C ATOM 410 CD2 TYR A 205 2.600 4.790 0.325 1.00 0.00 C ATOM 411 CE1 TYR A 205 1.834 6.725 2.129 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.342 5.000 1.468 1.00 0.00 C ATOM 413 CZ TYR A 205 2.954 5.968 2.364 1.00 0.00 C ATOM 414 OH TYR A 205 3.701 6.184 3.495 1.00 0.00 O ATOM 0 H TYR A 205 -0.388 2.858 -0.449 1.00 0.00 H new ATOM 0 HA TYR A 205 -1.356 5.654 -0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.156 4.567 -1.803 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.627 6.238 -1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.207 7.104 0.806 1.00 0.00 H new ATOM 0 HD2 TYR A 205 2.909 4.030 -0.377 1.00 0.00 H new ATOM 0 HE1 TYR A 205 1.535 7.486 2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 205 4.224 4.407 1.659 1.00 0.00 H new ATOM 0 HH TYR A 205 4.512 6.683 3.261 1.00 0.00 H new ATOM 424 N ILE A 206 -1.780 5.498 -3.055 1.00 0.00 N ATOM 425 CA ILE A 206 -2.380 5.267 -4.362 1.00 0.00 C ATOM 426 C ILE A 206 -1.369 5.609 -5.449 1.00 0.00 C ATOM 427 O ILE A 206 -1.105 6.782 -5.721 1.00 0.00 O ATOM 428 CB ILE A 206 -3.666 6.102 -4.582 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.490 6.215 -3.298 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.509 5.468 -5.673 1.00 0.00 C ATOM 431 CD1 ILE A 206 -4.064 7.357 -2.399 1.00 0.00 C ATOM 0 H ILE A 206 -1.662 6.481 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.660 4.215 -4.410 1.00 0.00 H new ATOM 0 HB ILE A 206 -3.366 7.106 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.540 6.344 -3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.412 5.280 -2.744 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -5.412 6.059 -5.824 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.938 5.434 -6.601 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.783 4.455 -5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.693 7.374 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -3.023 7.220 -2.105 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -4.168 8.300 -2.935 1.00 0.00 H new ATOM 443 N ILE A 207 -0.786 4.580 -6.047 1.00 0.00 N ATOM 444 CA ILE A 207 0.219 4.761 -7.083 1.00 0.00 C ATOM 445 C ILE A 207 -0.344 5.442 -8.336 1.00 0.00 C ATOM 446 O ILE A 207 -1.381 5.046 -8.871 1.00 0.00 O ATOM 447 CB ILE A 207 0.884 3.409 -7.444 1.00 0.00 C ATOM 448 CG1 ILE A 207 1.672 3.511 -8.749 1.00 0.00 C ATOM 449 CG2 ILE A 207 -0.143 2.295 -7.523 1.00 0.00 C ATOM 450 CD1 ILE A 207 2.331 2.212 -9.167 1.00 0.00 C ATOM 0 H ILE A 207 -0.994 3.605 -5.830 1.00 0.00 H new ATOM 0 HA ILE A 207 0.978 5.428 -6.675 1.00 0.00 H new ATOM 0 HB ILE A 207 1.585 3.166 -6.645 1.00 0.00 H new ATOM 0 HG12 ILE A 207 1.001 3.840 -9.543 1.00 0.00 H new ATOM 0 HG13 ILE A 207 2.438 4.278 -8.641 1.00 0.00 H new ATOM 0 HG21 ILE A 207 0.354 1.359 -7.778 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -0.641 2.190 -6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -0.881 2.534 -8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 207 2.872 2.362 -10.101 1.00 0.00 H new ATOM 0 HD12 ILE A 207 3.028 1.892 -8.392 1.00 0.00 H new ATOM 0 HD13 ILE A 207 1.568 1.446 -9.308 1.00 0.00 H new ATOM 462 N LEU A 208 0.361 6.477 -8.786 1.00 0.00 N ATOM 463 CA LEU A 208 -0.022 7.243 -9.965 1.00 0.00 C ATOM 464 C LEU A 208 0.855 6.890 -11.156 1.00 0.00 C ATOM 465 O LEU A 208 0.380 6.831 -12.289 1.00 0.00 O ATOM 466 CB LEU A 208 0.083 8.754 -9.701 1.00 0.00 C ATOM 467 CG LEU A 208 1.111 9.168 -8.640 1.00 0.00 C ATOM 468 CD1 LEU A 208 1.686 10.535 -8.927 1.00 0.00 C ATOM 469 CD2 LEU A 208 0.460 9.191 -7.275 1.00 0.00 C ATOM 0 H LEU A 208 1.217 6.808 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.057 6.986 -10.190 1.00 0.00 H new ATOM 0 HB2 LEU A 208 0.332 9.253 -10.638 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -0.897 9.121 -9.395 1.00 0.00 H new ATOM 0 HG LEU A 208 1.920 8.437 -8.664 1.00 0.00 H new ATOM 0 HD11 LEU A 208 2.410 10.795 -8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 208 2.180 10.525 -9.899 1.00 0.00 H new ATOM 0 HD13 LEU A 208 0.884 11.273 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 208 1.195 9.486 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -0.363 9.906 -7.276 1.00 0.00 H new ATOM 0 HD23 LEU A 208 0.078 8.198 -7.037 1.00 0.00 H new ATOM 481 N GLU A 209 2.141 6.678 -10.901 1.00 0.00 N ATOM 482 CA GLU A 209 3.077 6.358 -11.969 1.00 0.00 C ATOM 483 C GLU A 209 3.898 5.117 -11.671 1.00 0.00 C ATOM 484 O GLU A 209 4.158 4.784 -10.518 1.00 0.00 O ATOM 485 CB GLU A 209 4.040 7.520 -12.207 1.00 0.00 C ATOM 486 CG GLU A 209 3.368 8.811 -12.629 1.00 0.00 C ATOM 487 CD GLU A 209 4.368 9.824 -13.121 1.00 0.00 C ATOM 488 OE1 GLU A 209 5.078 9.524 -14.102 1.00 0.00 O ATOM 489 OE2 GLU A 209 4.449 10.915 -12.532 1.00 0.00 O ATOM 0 H GLU A 209 2.556 6.722 -9.970 1.00 0.00 H new ATOM 0 HA GLU A 209 2.472 6.172 -12.856 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.606 7.701 -11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 209 4.758 7.230 -12.974 1.00 0.00 H new ATOM 0 HG2 GLU A 209 2.643 8.604 -13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 209 2.814 9.226 -11.787 1.00 0.00 H new ATOM 496 N LYS A 210 4.346 4.476 -12.737 1.00 0.00 N ATOM 497 CA LYS A 210 5.194 3.303 -12.641 1.00 0.00 C ATOM 498 C LYS A 210 6.226 3.382 -13.750 1.00 0.00 C ATOM 499 O LYS A 210 6.068 2.770 -14.805 1.00 0.00 O ATOM 500 CB LYS A 210 4.385 2.000 -12.737 1.00 0.00 C ATOM 501 CG LYS A 210 5.234 0.741 -12.559 1.00 0.00 C ATOM 502 CD LYS A 210 4.392 -0.506 -12.334 1.00 0.00 C ATOM 503 CE LYS A 210 3.590 -0.881 -13.569 1.00 0.00 C ATOM 504 NZ LYS A 210 2.659 -2.012 -13.301 1.00 0.00 N ATOM 0 H LYS A 210 4.131 4.756 -13.694 1.00 0.00 H new ATOM 0 HA LYS A 210 5.682 3.288 -11.667 1.00 0.00 H new ATOM 0 HB2 LYS A 210 3.602 2.011 -11.979 1.00 0.00 H new ATOM 0 HB3 LYS A 210 3.889 1.960 -13.707 1.00 0.00 H new ATOM 0 HG2 LYS A 210 5.857 0.600 -13.442 1.00 0.00 H new ATOM 0 HG3 LYS A 210 5.907 0.878 -11.713 1.00 0.00 H new ATOM 0 HD2 LYS A 210 5.041 -1.337 -12.057 1.00 0.00 H new ATOM 0 HD3 LYS A 210 3.713 -0.339 -11.498 1.00 0.00 H new ATOM 0 HE2 LYS A 210 3.022 -0.016 -13.910 1.00 0.00 H new ATOM 0 HE3 LYS A 210 4.271 -1.154 -14.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 2.130 -2.239 -14.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 3.203 -2.846 -13.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 1.993 -1.743 -12.549 1.00 0.00 H new ATOM 518 N ASN A 211 7.274 4.164 -13.507 1.00 0.00 N ATOM 519 CA ASN A 211 8.342 4.346 -14.486 1.00 0.00 C ATOM 520 C ASN A 211 8.975 3.005 -14.799 1.00 0.00 C ATOM 521 O ASN A 211 9.276 2.692 -15.952 1.00 0.00 O ATOM 522 CB ASN A 211 9.403 5.308 -13.948 1.00 0.00 C ATOM 523 CG ASN A 211 8.821 6.649 -13.558 1.00 0.00 C ATOM 524 OD1 ASN A 211 8.299 7.379 -14.400 1.00 0.00 O ATOM 525 ND2 ASN A 211 8.893 6.974 -12.278 1.00 0.00 N ATOM 0 H ASN A 211 7.407 4.683 -12.639 1.00 0.00 H new ATOM 0 HA ASN A 211 7.918 4.771 -15.396 1.00 0.00 H new ATOM 0 HB2 ASN A 211 9.890 4.860 -13.081 1.00 0.00 H new ATOM 0 HB3 ASN A 211 10.173 5.456 -14.705 1.00 0.00 H new ATOM 0 HD21 ASN A 211 8.507 7.861 -11.954 1.00 0.00 H new ATOM 0 HD22 ASN A 211 9.335 6.338 -11.614 1.00 0.00 H new ATOM 532 N ASP A 212 9.137 2.213 -13.752 1.00 0.00 N ATOM 533 CA ASP A 212 9.692 0.879 -13.852 1.00 0.00 C ATOM 534 C ASP A 212 9.097 0.052 -12.729 1.00 0.00 C ATOM 535 O ASP A 212 8.364 0.585 -11.898 1.00 0.00 O ATOM 536 CB ASP A 212 11.215 0.918 -13.736 1.00 0.00 C ATOM 537 CG ASP A 212 11.879 -0.164 -14.549 1.00 0.00 C ATOM 538 OD1 ASP A 212 11.638 -1.354 -14.274 1.00 0.00 O ATOM 539 OD2 ASP A 212 12.636 0.176 -15.475 1.00 0.00 O ATOM 0 H ASP A 212 8.884 2.483 -12.802 1.00 0.00 H new ATOM 0 HA ASP A 212 9.450 0.440 -14.820 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.577 1.892 -14.066 1.00 0.00 H new ATOM 0 HB3 ASP A 212 11.500 0.810 -12.690 1.00 0.00 H new ATOM 544 N LEU A 213 9.408 -1.230 -12.677 1.00 0.00 N ATOM 545 CA LEU A 213 8.877 -2.066 -11.611 1.00 0.00 C ATOM 546 C LEU A 213 9.655 -1.822 -10.323 1.00 0.00 C ATOM 547 O LEU A 213 9.263 -2.275 -9.250 1.00 0.00 O ATOM 548 CB LEU A 213 8.937 -3.544 -11.990 1.00 0.00 C ATOM 549 CG LEU A 213 8.344 -3.894 -13.357 1.00 0.00 C ATOM 550 CD1 LEU A 213 8.479 -5.381 -13.624 1.00 0.00 C ATOM 551 CD2 LEU A 213 6.884 -3.473 -13.437 1.00 0.00 C ATOM 0 H LEU A 213 10.012 -1.710 -13.344 1.00 0.00 H new ATOM 0 HA LEU A 213 7.832 -1.799 -11.456 1.00 0.00 H new ATOM 0 HB2 LEU A 213 9.979 -3.865 -11.971 1.00 0.00 H new ATOM 0 HB3 LEU A 213 8.413 -4.119 -11.227 1.00 0.00 H new ATOM 0 HG LEU A 213 8.899 -3.348 -14.120 1.00 0.00 H new ATOM 0 HD11 LEU A 213 8.053 -5.616 -14.600 1.00 0.00 H new ATOM 0 HD12 LEU A 213 9.533 -5.659 -13.612 1.00 0.00 H new ATOM 0 HD13 LEU A 213 7.948 -5.939 -12.853 1.00 0.00 H new ATOM 0 HD21 LEU A 213 6.484 -3.732 -14.417 1.00 0.00 H new ATOM 0 HD22 LEU A 213 6.314 -3.989 -12.665 1.00 0.00 H new ATOM 0 HD23 LEU A 213 6.807 -2.396 -13.286 1.00 0.00 H new ATOM 563 N HIS A 214 10.761 -1.100 -10.448 1.00 0.00 N ATOM 564 CA HIS A 214 11.610 -0.778 -9.311 1.00 0.00 C ATOM 565 C HIS A 214 11.231 0.577 -8.723 1.00 0.00 C ATOM 566 O HIS A 214 11.115 0.727 -7.507 1.00 0.00 O ATOM 567 CB HIS A 214 13.081 -0.755 -9.739 1.00 0.00 C ATOM 568 CG HIS A 214 13.550 -2.033 -10.369 1.00 0.00 C ATOM 569 ND1 HIS A 214 13.625 -3.227 -9.682 1.00 0.00 N ATOM 570 CD2 HIS A 214 13.960 -2.304 -11.634 1.00 0.00 C ATOM 571 CE1 HIS A 214 14.061 -4.175 -10.494 1.00 0.00 C ATOM 572 NE2 HIS A 214 14.272 -3.642 -11.685 1.00 0.00 N ATOM 0 H HIS A 214 11.093 -0.723 -11.336 1.00 0.00 H new ATOM 0 HA HIS A 214 11.466 -1.546 -8.551 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.232 0.063 -10.444 1.00 0.00 H new ATOM 0 HB3 HIS A 214 13.700 -0.543 -8.867 1.00 0.00 H new ATOM 0 HD2 HIS A 214 14.028 -1.599 -12.449 1.00 0.00 H new ATOM 0 HE1 HIS A 214 14.218 -5.210 -10.229 1.00 0.00 H new ATOM 0 HE2 HIS A 214 14.611 -4.142 -12.507 1.00 0.00 H new ATOM 581 N TRP A 215 11.050 1.563 -9.595 1.00 0.00 N ATOM 582 CA TRP A 215 10.700 2.911 -9.164 1.00 0.00 C ATOM 583 C TRP A 215 9.261 3.274 -9.516 1.00 0.00 C ATOM 584 O TRP A 215 8.927 3.466 -10.688 1.00 0.00 O ATOM 585 CB TRP A 215 11.636 3.941 -9.790 1.00 0.00 C ATOM 586 CG TRP A 215 13.039 3.871 -9.272 1.00 0.00 C ATOM 587 CD1 TRP A 215 14.068 3.115 -9.756 1.00 0.00 C ATOM 588 CD2 TRP A 215 13.551 4.562 -8.133 1.00 0.00 C ATOM 589 NE1 TRP A 215 15.201 3.330 -9.005 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.906 4.211 -7.999 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.993 5.458 -7.222 1.00 0.00 C ATOM 592 CZ2 TRP A 215 15.711 4.727 -6.987 1.00 0.00 C ATOM 593 CZ3 TRP A 215 13.786 5.960 -6.215 1.00 0.00 C ATOM 594 CH2 TRP A 215 15.135 5.597 -6.103 1.00 0.00 C ATOM 0 H TRP A 215 11.140 1.454 -10.605 1.00 0.00 H new ATOM 0 HA TRP A 215 10.804 2.925 -8.079 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.649 3.798 -10.870 1.00 0.00 H new ATOM 0 HB3 TRP A 215 11.239 4.939 -9.606 1.00 0.00 H new ATOM 0 HD1 TRP A 215 14.002 2.447 -10.602 1.00 0.00 H new ATOM 0 HE1 TRP A 215 16.112 2.903 -9.171 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.957 5.753 -7.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.752 4.450 -6.903 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 13.361 6.646 -5.498 1.00 0.00 H new ATOM 0 HH2 TRP A 215 15.731 6.012 -5.304 1.00 0.00 H new ATOM 605 N TRP A 216 8.424 3.401 -8.497 1.00 0.00 N ATOM 606 CA TRP A 216 7.031 3.782 -8.695 1.00 0.00 C ATOM 607 C TRP A 216 6.817 5.212 -8.219 1.00 0.00 C ATOM 608 O TRP A 216 7.767 5.920 -7.893 1.00 0.00 O ATOM 609 CB TRP A 216 6.079 2.868 -7.908 1.00 0.00 C ATOM 610 CG TRP A 216 6.083 1.430 -8.314 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.606 0.884 -9.447 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.486 0.352 -7.586 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.384 -0.474 -9.461 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.693 -0.823 -8.331 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.795 0.266 -6.373 1.00 0.00 C ATOM 616 CZ2 TRP A 216 5.240 -2.066 -7.902 1.00 0.00 C ATOM 617 CZ3 TRP A 216 4.343 -0.972 -5.947 1.00 0.00 C ATOM 618 CH2 TRP A 216 4.565 -2.123 -6.713 1.00 0.00 C ATOM 0 H TRP A 216 8.684 3.246 -7.523 1.00 0.00 H new ATOM 0 HA TRP A 216 6.814 3.690 -9.759 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.336 2.929 -6.851 1.00 0.00 H new ATOM 0 HB3 TRP A 216 5.065 3.254 -8.012 1.00 0.00 H new ATOM 0 HD1 TRP A 216 7.119 1.436 -10.221 1.00 0.00 H new ATOM 0 HE1 TRP A 216 6.685 -1.116 -10.194 1.00 0.00 H new ATOM 0 HE3 TRP A 216 4.617 1.150 -5.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 5.415 -2.956 -8.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 3.811 -1.051 -5.010 1.00 0.00 H new ATOM 0 HH2 TRP A 216 4.196 -3.074 -6.359 1.00 0.00 H new ATOM 629 N ARG A 217 5.559 5.606 -8.144 1.00 0.00 N ATOM 630 CA ARG A 217 5.172 6.924 -7.662 1.00 0.00 C ATOM 631 C ARG A 217 3.762 6.832 -7.103 1.00 0.00 C ATOM 632 O ARG A 217 2.840 6.476 -7.828 1.00 0.00 O ATOM 633 CB ARG A 217 5.235 7.985 -8.764 1.00 0.00 C ATOM 634 CG ARG A 217 4.927 9.378 -8.243 1.00 0.00 C ATOM 635 CD ARG A 217 5.226 10.455 -9.264 1.00 0.00 C ATOM 636 NE ARG A 217 5.111 11.792 -8.668 1.00 0.00 N ATOM 637 CZ ARG A 217 5.089 12.924 -9.369 1.00 0.00 C ATOM 638 NH1 ARG A 217 5.064 12.883 -10.695 1.00 0.00 N ATOM 639 NH2 ARG A 217 5.060 14.094 -8.733 1.00 0.00 N ATOM 0 H ARG A 217 4.771 5.019 -8.417 1.00 0.00 H new ATOM 0 HA ARG A 217 5.875 7.233 -6.889 1.00 0.00 H new ATOM 0 HB2 ARG A 217 6.228 7.979 -9.214 1.00 0.00 H new ATOM 0 HB3 ARG A 217 4.526 7.730 -9.552 1.00 0.00 H new ATOM 0 HG2 ARG A 217 3.876 9.432 -7.959 1.00 0.00 H new ATOM 0 HG3 ARG A 217 5.511 9.563 -7.342 1.00 0.00 H new ATOM 0 HD2 ARG A 217 6.231 10.315 -9.661 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.536 10.367 -10.104 1.00 0.00 H new ATOM 0 HE ARG A 217 5.044 11.858 -7.652 1.00 0.00 H new ATOM 0 HH11 ARG A 217 5.062 11.984 -11.177 1.00 0.00 H new ATOM 0 HH12 ARG A 217 5.047 13.750 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 217 5.055 14.120 -7.713 1.00 0.00 H new ATOM 0 HH22 ARG A 217 5.043 14.964 -9.266 1.00 0.00 H new ATOM 653 N ALA A 218 3.592 7.121 -5.820 1.00 0.00 N ATOM 654 CA ALA A 218 2.269 7.034 -5.206 1.00 0.00 C ATOM 655 C ALA A 218 1.908 8.297 -4.438 1.00 0.00 C ATOM 656 O ALA A 218 2.776 9.092 -4.090 1.00 0.00 O ATOM 657 CB ALA A 218 2.166 5.805 -4.303 1.00 0.00 C ATOM 0 H ALA A 218 4.339 7.414 -5.190 1.00 0.00 H new ATOM 0 HA ALA A 218 1.548 6.931 -6.017 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.172 5.763 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.338 4.905 -4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 218 2.915 5.870 -3.513 1.00 0.00 H new ATOM 663 N ARG A 219 0.610 8.478 -4.206 1.00 0.00 N ATOM 664 CA ARG A 219 0.088 9.647 -3.500 1.00 0.00 C ATOM 665 C ARG A 219 -0.482 9.229 -2.148 1.00 0.00 C ATOM 666 O ARG A 219 -1.031 8.137 -2.009 1.00 0.00 O ATOM 667 CB ARG A 219 -0.997 10.331 -4.364 1.00 0.00 C ATOM 668 CG ARG A 219 -1.407 11.732 -3.933 1.00 0.00 C ATOM 669 CD ARG A 219 -2.425 11.720 -2.794 1.00 0.00 C ATOM 670 NE ARG A 219 -3.588 10.869 -3.068 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.537 11.161 -3.962 1.00 0.00 C ATOM 672 NH1 ARG A 219 -4.457 12.265 -4.679 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.574 10.350 -4.131 1.00 0.00 N ATOM 0 H ARG A 219 -0.110 7.819 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 219 0.896 10.357 -3.325 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -0.638 10.379 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -1.885 9.698 -4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -0.522 12.285 -3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -1.828 12.262 -4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -1.937 11.375 -1.883 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.764 12.739 -2.608 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.678 9.999 -2.543 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -3.669 12.900 -4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -5.184 12.484 -5.360 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.650 9.497 -3.576 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -6.295 10.579 -4.815 1.00 0.00 H new ATOM 687 N ASP A 220 -0.349 10.103 -1.157 1.00 0.00 N ATOM 688 CA ASP A 220 -0.853 9.830 0.185 1.00 0.00 C ATOM 689 C ASP A 220 -1.884 10.876 0.604 1.00 0.00 C ATOM 690 O ASP A 220 -3.086 10.608 0.638 1.00 0.00 O ATOM 691 CB ASP A 220 0.305 9.825 1.188 1.00 0.00 C ATOM 692 CG ASP A 220 -0.121 9.413 2.583 1.00 0.00 C ATOM 693 OD1 ASP A 220 -1.304 9.076 2.774 1.00 0.00 O ATOM 694 OD2 ASP A 220 0.736 9.421 3.486 1.00 0.00 O ATOM 0 H ASP A 220 0.105 11.011 -1.258 1.00 0.00 H new ATOM 0 HA ASP A 220 -1.333 8.851 0.174 1.00 0.00 H new ATOM 0 HB2 ASP A 220 1.081 9.145 0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 220 0.748 10.820 1.228 1.00 0.00 H new ATOM 699 N LYS A 221 -1.397 12.062 0.942 1.00 0.00 N ATOM 700 CA LYS A 221 -2.251 13.158 1.387 1.00 0.00 C ATOM 701 C LYS A 221 -2.771 13.992 0.216 1.00 0.00 C ATOM 702 O LYS A 221 -3.419 13.473 -0.689 1.00 0.00 O ATOM 703 CB LYS A 221 -1.467 14.047 2.348 1.00 0.00 C ATOM 704 CG LYS A 221 -0.914 13.297 3.552 1.00 0.00 C ATOM 705 CD LYS A 221 -0.152 14.217 4.498 1.00 0.00 C ATOM 706 CE LYS A 221 -1.077 15.210 5.179 1.00 0.00 C ATOM 707 NZ LYS A 221 -2.204 14.526 5.877 1.00 0.00 N ATOM 0 H LYS A 221 -0.404 12.292 0.916 1.00 0.00 H new ATOM 0 HA LYS A 221 -3.117 12.728 1.890 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -0.642 14.513 1.809 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -2.114 14.852 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -1.734 12.822 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -0.253 12.500 3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 221 0.361 13.620 5.252 1.00 0.00 H new ATOM 0 HD3 LYS A 221 0.615 14.756 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 221 -0.510 15.802 5.897 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -1.475 15.903 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 -2.430 15.037 6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 -3.040 14.514 5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 -1.929 13.550 6.106 1.00 0.00 H new ATOM 721 N TYR A 222 -2.483 15.286 0.242 1.00 0.00 N ATOM 722 CA TYR A 222 -2.908 16.191 -0.813 1.00 0.00 C ATOM 723 C TYR A 222 -1.685 16.811 -1.472 1.00 0.00 C ATOM 724 O TYR A 222 -1.393 17.997 -1.302 1.00 0.00 O ATOM 725 CB TYR A 222 -3.857 17.282 -0.268 1.00 0.00 C ATOM 726 CG TYR A 222 -3.488 17.822 1.103 1.00 0.00 C ATOM 727 CD1 TYR A 222 -3.751 17.089 2.258 1.00 0.00 C ATOM 728 CD2 TYR A 222 -2.872 19.058 1.244 1.00 0.00 C ATOM 729 CE1 TYR A 222 -3.410 17.575 3.505 1.00 0.00 C ATOM 730 CE2 TYR A 222 -2.528 19.548 2.488 1.00 0.00 C ATOM 731 CZ TYR A 222 -2.799 18.804 3.614 1.00 0.00 C ATOM 732 OH TYR A 222 -2.459 19.289 4.852 1.00 0.00 O ATOM 0 H TYR A 222 -1.952 15.734 0.989 1.00 0.00 H new ATOM 0 HA TYR A 222 -3.465 15.624 -1.559 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -3.879 18.111 -0.975 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -4.867 16.875 -0.223 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -4.230 16.124 2.177 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -2.658 19.647 0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -3.622 16.994 4.390 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -2.048 20.511 2.577 1.00 0.00 H new ATOM 0 HH TYR A 222 -2.036 20.167 4.754 1.00 0.00 H new ATOM 742 N GLY A 223 -0.954 15.990 -2.211 1.00 0.00 N ATOM 743 CA GLY A 223 0.247 16.460 -2.867 1.00 0.00 C ATOM 744 C GLY A 223 1.450 15.621 -2.496 1.00 0.00 C ATOM 745 O GLY A 223 2.547 15.831 -3.011 1.00 0.00 O ATOM 0 H GLY A 223 -1.172 15.006 -2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 223 0.105 16.436 -3.947 1.00 0.00 H new ATOM 0 HA3 GLY A 223 0.429 17.499 -2.593 1.00 0.00 H new ATOM 749 N SER A 224 1.243 14.664 -1.595 1.00 0.00 N ATOM 750 CA SER A 224 2.310 13.774 -1.161 1.00 0.00 C ATOM 751 C SER A 224 2.440 12.636 -2.157 1.00 0.00 C ATOM 752 O SER A 224 2.174 11.478 -1.839 1.00 0.00 O ATOM 753 CB SER A 224 2.006 13.224 0.233 1.00 0.00 C ATOM 754 OG SER A 224 1.515 14.245 1.078 1.00 0.00 O ATOM 0 H SER A 224 0.342 14.487 -1.151 1.00 0.00 H new ATOM 0 HA SER A 224 3.248 14.326 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 224 1.272 12.421 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 224 2.909 12.792 0.664 1.00 0.00 H new ATOM 0 HG SER A 224 1.476 13.916 2.000 1.00 0.00 H new ATOM 760 N GLU A 225 2.831 12.982 -3.366 1.00 0.00 N ATOM 761 CA GLU A 225 2.986 12.014 -4.432 1.00 0.00 C ATOM 762 C GLU A 225 4.395 12.077 -4.997 1.00 0.00 C ATOM 763 O GLU A 225 4.829 13.121 -5.486 1.00 0.00 O ATOM 764 CB GLU A 225 1.952 12.278 -5.527 1.00 0.00 C ATOM 765 CG GLU A 225 1.472 13.720 -5.561 1.00 0.00 C ATOM 766 CD GLU A 225 0.363 13.943 -6.560 1.00 0.00 C ATOM 767 OE1 GLU A 225 0.556 13.617 -7.746 1.00 0.00 O ATOM 768 OE2 GLU A 225 -0.699 14.452 -6.160 1.00 0.00 O ATOM 0 H GLU A 225 3.050 13.941 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 225 2.823 11.013 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.384 12.022 -6.495 1.00 0.00 H new ATOM 0 HB3 GLU A 225 1.096 11.620 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 225 1.124 14.006 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 225 2.311 14.372 -5.805 1.00 0.00 H new ATOM 775 N GLY A 226 5.109 10.966 -4.921 1.00 0.00 N ATOM 776 CA GLY A 226 6.469 10.937 -5.416 1.00 0.00 C ATOM 777 C GLY A 226 7.012 9.541 -5.622 1.00 0.00 C ATOM 778 O GLY A 226 6.312 8.551 -5.387 1.00 0.00 O ATOM 0 H GLY A 226 4.774 10.087 -4.527 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.514 11.478 -6.361 1.00 0.00 H new ATOM 0 HA3 GLY A 226 7.113 11.468 -4.715 1.00 0.00 H new ATOM 782 N TYR A 227 8.258 9.481 -6.080 1.00 0.00 N ATOM 783 CA TYR A 227 8.947 8.223 -6.357 1.00 0.00 C ATOM 784 C TYR A 227 9.045 7.340 -5.124 1.00 0.00 C ATOM 785 O TYR A 227 9.340 7.807 -4.026 1.00 0.00 O ATOM 786 CB TYR A 227 10.347 8.494 -6.905 1.00 0.00 C ATOM 787 CG TYR A 227 10.352 8.908 -8.354 1.00 0.00 C ATOM 788 CD1 TYR A 227 9.496 9.896 -8.814 1.00 0.00 C ATOM 789 CD2 TYR A 227 11.209 8.307 -9.264 1.00 0.00 C ATOM 790 CE1 TYR A 227 9.490 10.276 -10.134 1.00 0.00 C ATOM 791 CE2 TYR A 227 11.214 8.683 -10.592 1.00 0.00 C ATOM 792 CZ TYR A 227 10.350 9.668 -11.021 1.00 0.00 C ATOM 793 OH TYR A 227 10.350 10.045 -12.343 1.00 0.00 O ATOM 0 H TYR A 227 8.823 10.309 -6.271 1.00 0.00 H new ATOM 0 HA TYR A 227 8.356 7.692 -7.103 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.817 9.277 -6.309 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.955 7.597 -6.789 1.00 0.00 H new ATOM 0 HD1 TYR A 227 8.821 10.376 -8.121 1.00 0.00 H new ATOM 0 HD2 TYR A 227 11.883 7.533 -8.928 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.815 11.047 -10.474 1.00 0.00 H new ATOM 0 HE2 TYR A 227 11.889 8.209 -11.289 1.00 0.00 H new ATOM 0 HH TYR A 227 11.016 9.519 -12.833 1.00 0.00 H new ATOM 803 N ILE A 228 8.790 6.055 -5.329 1.00 0.00 N ATOM 804 CA ILE A 228 8.834 5.073 -4.260 1.00 0.00 C ATOM 805 C ILE A 228 9.560 3.818 -4.708 1.00 0.00 C ATOM 806 O ILE A 228 9.201 3.219 -5.724 1.00 0.00 O ATOM 807 CB ILE A 228 7.417 4.641 -3.839 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.583 5.844 -3.393 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.477 3.608 -2.733 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.222 5.472 -2.855 1.00 0.00 C ATOM 0 H ILE A 228 8.547 5.667 -6.240 1.00 0.00 H new ATOM 0 HA ILE A 228 9.353 5.547 -3.427 1.00 0.00 H new ATOM 0 HB ILE A 228 6.935 4.194 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 228 7.131 6.390 -2.625 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.457 6.521 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.465 3.317 -2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 228 8.022 2.731 -3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 228 7.987 4.031 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.689 6.375 -2.559 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.655 4.952 -3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 228 5.339 4.819 -1.990 1.00 0.00 H new ATOM 822 N PRO A 229 10.554 3.364 -3.942 1.00 0.00 N ATOM 823 CA PRO A 229 11.260 2.142 -4.261 1.00 0.00 C ATOM 824 C PRO A 229 10.392 0.942 -3.926 1.00 0.00 C ATOM 825 O PRO A 229 10.239 0.597 -2.756 1.00 0.00 O ATOM 826 CB PRO A 229 12.499 2.156 -3.357 1.00 0.00 C ATOM 827 CG PRO A 229 12.429 3.428 -2.565 1.00 0.00 C ATOM 828 CD PRO A 229 11.031 3.964 -2.693 1.00 0.00 C ATOM 0 HA PRO A 229 11.518 2.077 -5.318 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.509 1.288 -2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.413 2.117 -3.950 1.00 0.00 H new ATOM 0 HG2 PRO A 229 12.674 3.242 -1.519 1.00 0.00 H new ATOM 0 HG3 PRO A 229 13.153 4.152 -2.938 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.410 3.675 -1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 229 11.020 5.053 -2.740 1.00 0.00 H new ATOM 836 N SER A 230 9.810 0.323 -4.946 1.00 0.00 N ATOM 837 CA SER A 230 8.952 -0.846 -4.752 1.00 0.00 C ATOM 838 C SER A 230 9.673 -1.934 -3.951 1.00 0.00 C ATOM 839 O SER A 230 9.035 -2.821 -3.385 1.00 0.00 O ATOM 840 CB SER A 230 8.491 -1.394 -6.106 1.00 0.00 C ATOM 841 OG SER A 230 7.750 -2.594 -5.951 1.00 0.00 O ATOM 0 H SER A 230 9.915 0.610 -5.919 1.00 0.00 H new ATOM 0 HA SER A 230 8.077 -0.535 -4.181 1.00 0.00 H new ATOM 0 HB2 SER A 230 7.878 -0.649 -6.613 1.00 0.00 H new ATOM 0 HB3 SER A 230 9.358 -1.579 -6.740 1.00 0.00 H new ATOM 0 HG SER A 230 6.883 -2.503 -6.399 1.00 0.00 H new ATOM 847 N ASN A 231 10.996 -1.836 -3.855 1.00 0.00 N ATOM 848 CA ASN A 231 11.772 -2.785 -3.070 1.00 0.00 C ATOM 849 C ASN A 231 11.336 -2.706 -1.604 1.00 0.00 C ATOM 850 O ASN A 231 11.478 -3.657 -0.837 1.00 0.00 O ATOM 851 CB ASN A 231 13.272 -2.500 -3.209 1.00 0.00 C ATOM 852 CG ASN A 231 14.127 -3.440 -2.387 1.00 0.00 C ATOM 853 OD1 ASN A 231 14.010 -4.660 -2.494 1.00 0.00 O ATOM 854 ND2 ASN A 231 15.005 -2.873 -1.572 1.00 0.00 N ATOM 0 H ASN A 231 11.550 -1.110 -4.310 1.00 0.00 H new ATOM 0 HA ASN A 231 11.590 -3.794 -3.441 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.557 -2.581 -4.258 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.472 -1.473 -2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 231 15.619 -3.453 -1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 231 15.067 -1.856 -1.516 1.00 0.00 H new ATOM 861 N TYR A 232 10.775 -1.559 -1.242 1.00 0.00 N ATOM 862 CA TYR A 232 10.274 -1.308 0.100 1.00 0.00 C ATOM 863 C TYR A 232 8.749 -1.353 0.118 1.00 0.00 C ATOM 864 O TYR A 232 8.145 -1.385 1.189 1.00 0.00 O ATOM 865 CB TYR A 232 10.687 0.091 0.587 1.00 0.00 C ATOM 866 CG TYR A 232 12.168 0.340 0.757 1.00 0.00 C ATOM 867 CD1 TYR A 232 13.115 -0.656 0.557 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.610 1.596 1.144 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.461 -0.401 0.734 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.951 1.857 1.326 1.00 0.00 C ATOM 871 CZ TYR A 232 14.873 0.856 1.120 1.00 0.00 C ATOM 872 OH TYR A 232 16.209 1.112 1.307 1.00 0.00 O ATOM 0 H TYR A 232 10.655 -0.771 -1.879 1.00 0.00 H new ATOM 0 HA TYR A 232 10.695 -2.078 0.747 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.297 0.826 -0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 232 10.199 0.276 1.544 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.795 -1.643 0.259 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.890 2.385 1.306 1.00 0.00 H new ATOM 0 HE1 TYR A 232 15.187 -1.183 0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.277 2.841 1.629 1.00 0.00 H new ATOM 0 HH TYR A 232 16.328 2.047 1.577 1.00 0.00 H new ATOM 882 N VAL A 233 8.125 -1.281 -1.061 1.00 0.00 N ATOM 883 CA VAL A 233 6.665 -1.235 -1.143 1.00 0.00 C ATOM 884 C VAL A 233 6.067 -2.179 -2.187 1.00 0.00 C ATOM 885 O VAL A 233 6.399 -2.121 -3.368 1.00 0.00 O ATOM 886 CB VAL A 233 6.200 0.202 -1.473 1.00 0.00 C ATOM 887 CG1 VAL A 233 4.689 0.305 -1.527 1.00 0.00 C ATOM 888 CG2 VAL A 233 6.758 1.188 -0.469 1.00 0.00 C ATOM 0 H VAL A 233 8.603 -1.254 -1.962 1.00 0.00 H new ATOM 0 HA VAL A 233 6.309 -1.562 -0.166 1.00 0.00 H new ATOM 0 HB VAL A 233 6.585 0.449 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 233 4.402 1.330 -1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 233 4.306 -0.364 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 233 4.270 0.023 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 233 6.419 2.193 -0.719 1.00 0.00 H new ATOM 0 HG22 VAL A 233 6.410 0.926 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 233 7.847 1.156 -0.494 1.00 0.00 H new ATOM 898 N THR A 234 5.127 -2.990 -1.744 1.00 0.00 N ATOM 899 CA THR A 234 4.409 -3.892 -2.620 1.00 0.00 C ATOM 900 C THR A 234 3.015 -3.325 -2.827 1.00 0.00 C ATOM 901 O THR A 234 2.700 -2.267 -2.286 1.00 0.00 O ATOM 902 CB THR A 234 4.364 -5.295 -2.001 1.00 0.00 C ATOM 903 OG1 THR A 234 3.806 -6.233 -2.909 1.00 0.00 O ATOM 904 CG2 THR A 234 3.566 -5.360 -0.716 1.00 0.00 C ATOM 0 H THR A 234 4.840 -3.042 -0.767 1.00 0.00 H new ATOM 0 HA THR A 234 4.908 -3.982 -3.585 1.00 0.00 H new ATOM 0 HB THR A 234 5.402 -5.541 -1.775 1.00 0.00 H new ATOM 0 HG1 THR A 234 3.789 -7.120 -2.493 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.576 -6.380 -0.333 1.00 0.00 H new ATOM 0 HG22 THR A 234 4.009 -4.691 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 234 2.538 -5.055 -0.910 1.00 0.00 H new ATOM 912 N GLY A 235 2.176 -4.015 -3.576 1.00 0.00 N ATOM 913 CA GLY A 235 0.826 -3.535 -3.765 1.00 0.00 C ATOM 914 C GLY A 235 0.013 -3.855 -2.540 1.00 0.00 C ATOM 915 O GLY A 235 0.467 -3.641 -1.423 1.00 0.00 O ATOM 0 H GLY A 235 2.400 -4.889 -4.052 1.00 0.00 H new ATOM 0 HA2 GLY A 235 0.831 -2.460 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 235 0.381 -4.001 -4.644 1.00 0.00 H new ATOM 919 N LYS A 236 -1.150 -4.425 -2.714 1.00 0.00 N ATOM 920 CA LYS A 236 -1.934 -4.809 -1.561 1.00 0.00 C ATOM 921 C LYS A 236 -1.745 -6.310 -1.339 1.00 0.00 C ATOM 922 O LYS A 236 -2.640 -7.006 -0.847 1.00 0.00 O ATOM 923 CB LYS A 236 -3.404 -4.401 -1.748 1.00 0.00 C ATOM 924 CG LYS A 236 -4.257 -4.510 -0.491 1.00 0.00 C ATOM 925 CD LYS A 236 -5.568 -3.747 -0.654 1.00 0.00 C ATOM 926 CE LYS A 236 -6.441 -3.849 0.585 1.00 0.00 C ATOM 927 NZ LYS A 236 -6.829 -5.252 0.871 1.00 0.00 N ATOM 0 H LYS A 236 -1.572 -4.632 -3.619 1.00 0.00 H new ATOM 0 HA LYS A 236 -1.597 -4.287 -0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.439 -3.372 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.845 -5.025 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -4.466 -5.558 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -3.706 -4.115 0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -5.354 -2.699 -0.862 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -6.111 -4.138 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -5.906 -3.438 1.441 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -7.338 -3.244 0.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -7.591 -5.264 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -7.161 -5.706 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -6.007 -5.771 1.239 1.00 0.00 H new