USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=11 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 Set 1.1: A 203 GLN : amide:sc= 1.03 K(o=1.7,f=-1.8) USER MOD Set 1.2: A 205 TYR OH : rot -35:sc= 0.675 USER MOD Single : A 186 MET CE :methyl -150:sc= -0.151 (180deg=-0.973) 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 180:sc= 0 USER MOD Single : A 195 HIS : no HD1:sc= -0.106 K(o=-0.11,f=-1.6) USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 211 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 214 HIS : no HD1:sc= -0.0237 X(o=-0.024,f=0) USER MOD Single : A 221 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD Single : A 224 SER OG : rot 180:sc= 0 USER MOD Single : A 227 TYR OH : rot 180:sc= 0 USER MOD Single : A 230 SER OG : rot -154:sc= 1.21 USER MOD Single : A 231 ASN : amide:sc= 0.464 X(o=0.46,f=0) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 234 THR OG1 : rot 180:sc= -0.069 USER MOD Single : A 236 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0749) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.641 1.008 -3.730 1.00 0.00 N ATOM 37 CA ILE A 182 -3.035 -0.276 -4.064 1.00 0.00 C ATOM 38 C ILE A 182 -1.623 -0.497 -3.516 1.00 0.00 C ATOM 39 O ILE A 182 -1.287 -1.614 -3.136 1.00 0.00 O ATOM 40 CB ILE A 182 -3.027 -0.500 -5.601 1.00 0.00 C ATOM 41 CG1 ILE A 182 -4.436 -0.822 -6.080 1.00 0.00 C ATOM 42 CG2 ILE A 182 -2.075 -1.621 -6.006 1.00 0.00 C ATOM 43 CD1 ILE A 182 -4.527 -1.107 -7.562 1.00 0.00 C ATOM 0 HA ILE A 182 -3.669 -1.009 -3.565 1.00 0.00 H new ATOM 0 HB ILE A 182 -2.676 0.419 -6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -4.808 -1.686 -5.530 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -5.092 0.015 -5.840 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -2.099 -1.746 -7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -1.062 -1.369 -5.692 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -2.383 -2.550 -5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -5.561 -1.328 -7.827 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -4.187 -0.236 -8.122 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -3.899 -1.963 -7.807 1.00 0.00 H new ATOM 55 N VAL A 183 -0.781 0.518 -3.508 1.00 0.00 N ATOM 56 CA VAL A 183 0.591 0.319 -3.047 1.00 0.00 C ATOM 57 C VAL A 183 0.717 0.298 -1.527 1.00 0.00 C ATOM 58 O VAL A 183 0.720 1.335 -0.882 1.00 0.00 O ATOM 59 CB VAL A 183 1.560 1.375 -3.628 1.00 0.00 C ATOM 60 CG1 VAL A 183 2.331 0.817 -4.801 1.00 0.00 C ATOM 61 CG2 VAL A 183 0.831 2.630 -4.046 1.00 0.00 C ATOM 0 H VAL A 183 -1.008 1.467 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 183 0.872 -0.666 -3.420 1.00 0.00 H new ATOM 0 HB VAL A 183 2.261 1.634 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 183 3.005 1.581 -5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 183 2.911 -0.048 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 183 1.635 0.515 -5.583 1.00 0.00 H new ATOM 0 HG21 VAL A 183 1.545 3.348 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 183 0.093 2.385 -4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 183 0.329 3.064 -3.182 1.00 0.00 H new ATOM 71 N VAL A 184 0.855 -0.891 -0.963 1.00 0.00 N ATOM 72 CA VAL A 184 1.005 -1.035 0.478 1.00 0.00 C ATOM 73 C VAL A 184 2.487 -0.947 0.875 1.00 0.00 C ATOM 74 O VAL A 184 3.258 -1.873 0.627 1.00 0.00 O ATOM 75 CB VAL A 184 0.400 -2.375 0.962 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.508 -2.513 2.470 1.00 0.00 C ATOM 77 CG2 VAL A 184 -1.054 -2.502 0.520 1.00 0.00 C ATOM 0 H VAL A 184 0.866 -1.770 -1.480 1.00 0.00 H new ATOM 0 HA VAL A 184 0.464 -0.220 0.959 1.00 0.00 H new ATOM 0 HB VAL A 184 0.973 -3.182 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.075 -3.464 2.780 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.557 -2.479 2.764 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -0.030 -1.695 2.950 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -1.459 -3.451 0.871 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.635 -1.681 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -1.108 -2.464 -0.568 1.00 0.00 H new ATOM 87 N ALA A 185 2.881 0.170 1.489 1.00 0.00 N ATOM 88 CA ALA A 185 4.269 0.355 1.912 1.00 0.00 C ATOM 89 C ALA A 185 4.628 -0.674 2.975 1.00 0.00 C ATOM 90 O ALA A 185 3.860 -0.905 3.913 1.00 0.00 O ATOM 91 CB ALA A 185 4.505 1.764 2.441 1.00 0.00 C ATOM 0 H ALA A 185 2.264 0.954 1.703 1.00 0.00 H new ATOM 0 HA ALA A 185 4.911 0.214 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 185 5.546 1.868 2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.283 2.489 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 185 3.855 1.945 3.297 1.00 0.00 H new ATOM 97 N MET A 186 5.786 -1.294 2.818 1.00 0.00 N ATOM 98 CA MET A 186 6.243 -2.314 3.755 1.00 0.00 C ATOM 99 C MET A 186 7.168 -1.736 4.815 1.00 0.00 C ATOM 100 O MET A 186 6.920 -1.884 6.010 1.00 0.00 O ATOM 101 CB MET A 186 6.963 -3.443 3.011 1.00 0.00 C ATOM 102 CG MET A 186 6.061 -4.236 2.086 1.00 0.00 C ATOM 103 SD MET A 186 6.955 -5.486 1.150 1.00 0.00 S ATOM 104 CE MET A 186 8.049 -4.466 0.158 1.00 0.00 C ATOM 0 H MET A 186 6.430 -1.110 2.049 1.00 0.00 H new ATOM 0 HA MET A 186 5.358 -2.710 4.254 1.00 0.00 H new ATOM 0 HB2 MET A 186 7.782 -3.019 2.430 1.00 0.00 H new ATOM 0 HB3 MET A 186 7.407 -4.121 3.740 1.00 0.00 H new ATOM 0 HG2 MET A 186 5.279 -4.717 2.673 1.00 0.00 H new ATOM 0 HG3 MET A 186 5.567 -3.554 1.394 1.00 0.00 H new ATOM 0 HE1 MET A 186 8.257 -4.968 -0.787 1.00 0.00 H new ATOM 0 HE2 MET A 186 7.572 -3.506 -0.039 1.00 0.00 H new ATOM 0 HE3 MET A 186 8.983 -4.304 0.696 1.00 0.00 H new ATOM 114 N TYR A 187 8.248 -1.096 4.379 1.00 0.00 N ATOM 115 CA TYR A 187 9.214 -0.524 5.311 1.00 0.00 C ATOM 116 C TYR A 187 9.178 0.996 5.323 1.00 0.00 C ATOM 117 O TYR A 187 8.645 1.635 4.411 1.00 0.00 O ATOM 118 CB TYR A 187 10.631 -1.007 4.979 1.00 0.00 C ATOM 119 CG TYR A 187 10.943 -2.394 5.504 1.00 0.00 C ATOM 120 CD1 TYR A 187 10.191 -3.496 5.116 1.00 0.00 C ATOM 121 CD2 TYR A 187 11.985 -2.598 6.400 1.00 0.00 C ATOM 122 CE1 TYR A 187 10.466 -4.755 5.608 1.00 0.00 C ATOM 123 CE2 TYR A 187 12.269 -3.856 6.893 1.00 0.00 C ATOM 124 CZ TYR A 187 11.505 -4.930 6.494 1.00 0.00 C ATOM 125 OH TYR A 187 11.774 -6.183 6.991 1.00 0.00 O ATOM 0 H TYR A 187 8.476 -0.961 3.394 1.00 0.00 H new ATOM 0 HA TYR A 187 8.934 -0.868 6.307 1.00 0.00 H new ATOM 0 HB2 TYR A 187 10.763 -1.000 3.897 1.00 0.00 H new ATOM 0 HB3 TYR A 187 11.352 -0.301 5.393 1.00 0.00 H new ATOM 0 HD1 TYR A 187 9.378 -3.365 4.418 1.00 0.00 H new ATOM 0 HD2 TYR A 187 12.584 -1.757 6.717 1.00 0.00 H new ATOM 0 HE1 TYR A 187 9.869 -5.600 5.299 1.00 0.00 H new ATOM 0 HE2 TYR A 187 13.085 -3.997 7.587 1.00 0.00 H new ATOM 0 HH TYR A 187 12.538 -6.135 7.602 1.00 0.00 H new ATOM 135 N ASP A 188 9.771 1.560 6.371 1.00 0.00 N ATOM 136 CA ASP A 188 9.853 3.004 6.552 1.00 0.00 C ATOM 137 C ASP A 188 10.873 3.594 5.586 1.00 0.00 C ATOM 138 O ASP A 188 11.926 2.999 5.346 1.00 0.00 O ATOM 139 CB ASP A 188 10.247 3.320 8.000 1.00 0.00 C ATOM 140 CG ASP A 188 10.365 4.800 8.267 1.00 0.00 C ATOM 141 OD1 ASP A 188 9.325 5.480 8.290 1.00 0.00 O ATOM 142 OD2 ASP A 188 11.500 5.280 8.444 1.00 0.00 O ATOM 0 H ASP A 188 10.210 1.025 7.121 1.00 0.00 H new ATOM 0 HA ASP A 188 8.880 3.449 6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 188 9.505 2.892 8.675 1.00 0.00 H new ATOM 0 HB3 ASP A 188 11.198 2.838 8.226 1.00 0.00 H new ATOM 147 N PHE A 189 10.565 4.755 5.030 1.00 0.00 N ATOM 148 CA PHE A 189 11.471 5.395 4.084 1.00 0.00 C ATOM 149 C PHE A 189 11.445 6.910 4.229 1.00 0.00 C ATOM 150 O PHE A 189 10.387 7.510 4.427 1.00 0.00 O ATOM 151 CB PHE A 189 11.103 4.994 2.651 1.00 0.00 C ATOM 152 CG PHE A 189 11.995 5.592 1.599 1.00 0.00 C ATOM 153 CD1 PHE A 189 13.358 5.344 1.601 1.00 0.00 C ATOM 154 CD2 PHE A 189 11.466 6.400 0.607 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.177 5.893 0.633 1.00 0.00 C ATOM 156 CE2 PHE A 189 12.280 6.953 -0.364 1.00 0.00 C ATOM 157 CZ PHE A 189 13.638 6.700 -0.351 1.00 0.00 C ATOM 0 H PHE A 189 9.704 5.271 5.213 1.00 0.00 H new ATOM 0 HA PHE A 189 12.483 5.055 4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.139 3.908 2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.074 5.295 2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 189 13.785 4.715 2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 189 10.405 6.601 0.592 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.238 5.692 0.645 1.00 0.00 H new ATOM 0 HE2 PHE A 189 11.855 7.582 -1.132 1.00 0.00 H new ATOM 0 HZ PHE A 189 14.277 7.132 -1.108 1.00 0.00 H new ATOM 167 N GLN A 190 12.612 7.525 4.121 1.00 0.00 N ATOM 168 CA GLN A 190 12.735 8.969 4.227 1.00 0.00 C ATOM 169 C GLN A 190 13.116 9.554 2.877 1.00 0.00 C ATOM 170 O GLN A 190 13.958 8.999 2.173 1.00 0.00 O ATOM 171 CB GLN A 190 13.792 9.346 5.274 1.00 0.00 C ATOM 172 CG GLN A 190 13.926 10.843 5.508 1.00 0.00 C ATOM 173 CD GLN A 190 14.929 11.171 6.596 1.00 0.00 C ATOM 174 OE1 GLN A 190 16.107 10.841 6.486 1.00 0.00 O ATOM 175 NE2 GLN A 190 14.467 11.829 7.647 1.00 0.00 N ATOM 0 H GLN A 190 13.495 7.041 3.958 1.00 0.00 H new ATOM 0 HA GLN A 190 11.774 9.377 4.541 1.00 0.00 H new ATOM 0 HB2 GLN A 190 13.542 8.862 6.218 1.00 0.00 H new ATOM 0 HB3 GLN A 190 14.758 8.950 4.959 1.00 0.00 H new ATOM 0 HG2 GLN A 190 14.230 11.327 4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 190 12.953 11.254 5.778 1.00 0.00 H new ATOM 0 HE21 GLN A 190 13.480 12.083 7.696 1.00 0.00 H new ATOM 0 HE22 GLN A 190 15.098 12.082 8.408 1.00 0.00 H new ATOM 184 N ALA A 191 12.517 10.686 2.530 1.00 0.00 N ATOM 185 CA ALA A 191 12.829 11.346 1.268 1.00 0.00 C ATOM 186 C ALA A 191 14.229 11.933 1.339 1.00 0.00 C ATOM 187 O ALA A 191 14.526 12.719 2.237 1.00 0.00 O ATOM 188 CB ALA A 191 11.813 12.438 0.965 1.00 0.00 C ATOM 0 H ALA A 191 11.818 11.163 3.099 1.00 0.00 H new ATOM 0 HA ALA A 191 12.784 10.612 0.464 1.00 0.00 H new ATOM 0 HB1 ALA A 191 12.065 12.917 0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 191 10.817 12.000 0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 191 11.828 13.180 1.763 1.00 0.00 H new ATOM 194 N THR A 192 15.095 11.547 0.415 1.00 0.00 N ATOM 195 CA THR A 192 16.457 12.052 0.422 1.00 0.00 C ATOM 196 C THR A 192 16.517 13.449 -0.189 1.00 0.00 C ATOM 197 O THR A 192 17.303 14.288 0.252 1.00 0.00 O ATOM 198 CB THR A 192 17.406 11.078 -0.298 1.00 0.00 C ATOM 199 OG1 THR A 192 18.709 11.627 -0.416 1.00 0.00 O ATOM 200 CG2 THR A 192 16.950 10.685 -1.683 1.00 0.00 C ATOM 0 H THR A 192 14.882 10.894 -0.340 1.00 0.00 H new ATOM 0 HA THR A 192 16.791 12.129 1.457 1.00 0.00 H new ATOM 0 HB THR A 192 17.406 10.185 0.328 1.00 0.00 H new ATOM 0 HG1 THR A 192 19.293 10.988 -0.876 1.00 0.00 H new ATOM 0 HG21 THR A 192 17.673 9.997 -2.123 1.00 0.00 H new ATOM 0 HG22 THR A 192 15.977 10.198 -1.621 1.00 0.00 H new ATOM 0 HG23 THR A 192 16.871 11.576 -2.306 1.00 0.00 H new ATOM 208 N GLU A 193 15.680 13.705 -1.186 1.00 0.00 N ATOM 209 CA GLU A 193 15.653 15.013 -1.825 1.00 0.00 C ATOM 210 C GLU A 193 14.263 15.637 -1.756 1.00 0.00 C ATOM 211 O GLU A 193 13.935 16.320 -0.784 1.00 0.00 O ATOM 212 CB GLU A 193 16.124 14.903 -3.273 1.00 0.00 C ATOM 213 CG GLU A 193 17.572 14.468 -3.392 1.00 0.00 C ATOM 214 CD GLU A 193 18.011 14.288 -4.823 1.00 0.00 C ATOM 215 OE1 GLU A 193 17.934 15.262 -5.597 1.00 0.00 O ATOM 216 OE2 GLU A 193 18.437 13.170 -5.170 1.00 0.00 O ATOM 0 H GLU A 193 15.016 13.030 -1.567 1.00 0.00 H new ATOM 0 HA GLU A 193 16.335 15.668 -1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 193 15.491 14.190 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 193 15.998 15.868 -3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 193 18.210 15.209 -2.911 1.00 0.00 H new ATOM 0 HG3 GLU A 193 17.711 13.531 -2.853 1.00 0.00 H new ATOM 223 N ALA A 194 13.454 15.400 -2.782 1.00 0.00 N ATOM 224 CA ALA A 194 12.097 15.944 -2.839 1.00 0.00 C ATOM 225 C ALA A 194 11.215 15.115 -3.761 1.00 0.00 C ATOM 226 O ALA A 194 9.999 15.060 -3.584 1.00 0.00 O ATOM 227 CB ALA A 194 12.118 17.395 -3.297 1.00 0.00 C ATOM 0 H ALA A 194 13.713 14.833 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 194 11.678 15.901 -1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 194 11.099 17.780 -3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 194 12.706 17.989 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 194 12.564 17.457 -4.290 1.00 0.00 H new ATOM 233 N HIS A 195 11.834 14.463 -4.741 1.00 0.00 N ATOM 234 CA HIS A 195 11.095 13.624 -5.680 1.00 0.00 C ATOM 235 C HIS A 195 10.613 12.361 -4.976 1.00 0.00 C ATOM 236 O HIS A 195 9.694 11.689 -5.448 1.00 0.00 O ATOM 237 CB HIS A 195 11.961 13.248 -6.895 1.00 0.00 C ATOM 238 CG HIS A 195 13.212 12.503 -6.543 1.00 0.00 C ATOM 239 ND1 HIS A 195 14.359 13.126 -6.111 1.00 0.00 N ATOM 240 CD2 HIS A 195 13.469 11.175 -6.506 1.00 0.00 C ATOM 241 CE1 HIS A 195 15.269 12.213 -5.821 1.00 0.00 C ATOM 242 NE2 HIS A 195 14.754 11.015 -6.046 1.00 0.00 N ATOM 0 H HIS A 195 12.840 14.499 -4.905 1.00 0.00 H new ATOM 0 HA HIS A 195 10.237 14.192 -6.039 1.00 0.00 H new ATOM 0 HB2 HIS A 195 11.367 12.639 -7.577 1.00 0.00 H new ATOM 0 HB3 HIS A 195 12.231 14.158 -7.432 1.00 0.00 H new ATOM 0 HD2 HIS A 195 12.788 10.385 -6.787 1.00 0.00 H new ATOM 0 HE1 HIS A 195 16.267 12.412 -5.460 1.00 0.00 H new ATOM 0 HE2 HIS A 195 15.230 10.124 -5.902 1.00 0.00 H new ATOM 251 N ASP A 196 11.251 12.054 -3.849 1.00 0.00 N ATOM 252 CA ASP A 196 10.914 10.880 -3.057 1.00 0.00 C ATOM 253 C ASP A 196 9.741 11.172 -2.137 1.00 0.00 C ATOM 254 O ASP A 196 9.390 12.334 -1.906 1.00 0.00 O ATOM 255 CB ASP A 196 12.103 10.466 -2.188 1.00 0.00 C ATOM 256 CG ASP A 196 13.421 10.555 -2.910 1.00 0.00 C ATOM 257 OD1 ASP A 196 13.699 9.683 -3.754 1.00 0.00 O ATOM 258 OD2 ASP A 196 14.168 11.518 -2.640 1.00 0.00 O ATOM 0 H ASP A 196 12.013 12.611 -3.463 1.00 0.00 H new ATOM 0 HA ASP A 196 10.654 10.079 -3.749 1.00 0.00 H new ATOM 0 HB2 ASP A 196 12.137 11.101 -1.303 1.00 0.00 H new ATOM 0 HB3 ASP A 196 11.954 9.443 -1.841 1.00 0.00 H new ATOM 263 N LEU A 197 9.161 10.118 -1.589 1.00 0.00 N ATOM 264 CA LEU A 197 8.050 10.254 -0.662 1.00 0.00 C ATOM 265 C LEU A 197 8.360 9.478 0.612 1.00 0.00 C ATOM 266 O LEU A 197 8.986 8.423 0.560 1.00 0.00 O ATOM 267 CB LEU A 197 6.752 9.752 -1.303 1.00 0.00 C ATOM 268 CG LEU A 197 5.525 10.649 -1.091 1.00 0.00 C ATOM 269 CD1 LEU A 197 4.999 10.534 0.333 1.00 0.00 C ATOM 270 CD2 LEU A 197 5.857 12.093 -1.427 1.00 0.00 C ATOM 0 H LEU A 197 9.442 9.155 -1.771 1.00 0.00 H new ATOM 0 HA LEU A 197 7.913 11.306 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.916 9.637 -2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.530 8.761 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 197 4.738 10.309 -1.765 1.00 0.00 H new ATOM 0 HD11 LEU A 197 4.130 11.181 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 197 4.713 9.501 0.533 1.00 0.00 H new ATOM 0 HD13 LEU A 197 5.777 10.838 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 197 4.975 12.715 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 197 6.665 12.440 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 197 6.169 12.162 -2.469 1.00 0.00 H new ATOM 282 N ARG A 198 7.944 10.011 1.753 1.00 0.00 N ATOM 283 CA ARG A 198 8.197 9.365 3.041 1.00 0.00 C ATOM 284 C ARG A 198 7.241 8.206 3.289 1.00 0.00 C ATOM 285 O ARG A 198 6.042 8.412 3.458 1.00 0.00 O ATOM 286 CB ARG A 198 8.084 10.375 4.184 1.00 0.00 C ATOM 287 CG ARG A 198 9.293 11.275 4.328 1.00 0.00 C ATOM 288 CD ARG A 198 9.839 11.202 5.746 1.00 0.00 C ATOM 289 NE ARG A 198 10.034 9.818 6.181 1.00 0.00 N ATOM 290 CZ ARG A 198 10.416 9.474 7.413 1.00 0.00 C ATOM 291 NH1 ARG A 198 10.675 10.408 8.319 1.00 0.00 N ATOM 292 NH2 ARG A 198 10.537 8.193 7.740 1.00 0.00 N ATOM 0 H ARG A 198 7.429 10.889 1.816 1.00 0.00 H new ATOM 0 HA ARG A 198 9.212 8.969 3.006 1.00 0.00 H new ATOM 0 HB2 ARG A 198 7.200 10.993 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 198 7.931 9.836 5.119 1.00 0.00 H new ATOM 0 HG2 ARG A 198 10.064 10.976 3.618 1.00 0.00 H new ATOM 0 HG3 ARG A 198 9.020 12.303 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 198 10.787 11.737 5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 198 9.152 11.704 6.427 1.00 0.00 H new ATOM 0 HE ARG A 198 9.868 9.074 5.504 1.00 0.00 H new ATOM 0 HH11 ARG A 198 10.583 11.394 8.076 1.00 0.00 H new ATOM 0 HH12 ARG A 198 10.967 10.140 9.259 1.00 0.00 H new ATOM 0 HH21 ARG A 198 10.338 7.469 7.049 1.00 0.00 H new ATOM 0 HH22 ARG A 198 10.829 7.932 8.682 1.00 0.00 H new ATOM 306 N LEU A 199 7.784 6.991 3.328 1.00 0.00 N ATOM 307 CA LEU A 199 6.980 5.792 3.560 1.00 0.00 C ATOM 308 C LEU A 199 7.009 5.377 5.016 1.00 0.00 C ATOM 309 O LEU A 199 7.906 5.764 5.768 1.00 0.00 O ATOM 310 CB LEU A 199 7.494 4.613 2.727 1.00 0.00 C ATOM 311 CG LEU A 199 7.053 4.573 1.268 1.00 0.00 C ATOM 312 CD1 LEU A 199 7.705 5.678 0.457 1.00 0.00 C ATOM 313 CD2 LEU A 199 7.363 3.208 0.680 1.00 0.00 C ATOM 0 H LEU A 199 8.780 6.810 3.202 1.00 0.00 H new ATOM 0 HA LEU A 199 5.961 6.044 3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 199 8.584 4.624 2.755 1.00 0.00 H new ATOM 0 HB3 LEU A 199 7.172 3.689 3.207 1.00 0.00 H new ATOM 0 HG LEU A 199 5.977 4.742 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.367 5.618 -0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 199 7.428 6.647 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 199 8.788 5.564 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 199 7.047 3.181 -0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 199 8.435 3.021 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 199 6.829 2.441 1.241 1.00 0.00 H new ATOM 325 N GLU A 200 6.031 4.564 5.395 1.00 0.00 N ATOM 326 CA GLU A 200 5.930 4.054 6.753 1.00 0.00 C ATOM 327 C GLU A 200 5.561 2.580 6.724 1.00 0.00 C ATOM 328 O GLU A 200 5.040 2.081 5.722 1.00 0.00 O ATOM 329 CB GLU A 200 4.887 4.831 7.567 1.00 0.00 C ATOM 330 CG GLU A 200 5.124 6.333 7.614 1.00 0.00 C ATOM 331 CD GLU A 200 4.229 7.018 8.617 1.00 0.00 C ATOM 332 OE1 GLU A 200 2.997 6.852 8.533 1.00 0.00 O ATOM 333 OE2 GLU A 200 4.759 7.706 9.507 1.00 0.00 O ATOM 0 H GLU A 200 5.290 4.242 4.772 1.00 0.00 H new ATOM 0 HA GLU A 200 6.900 4.182 7.233 1.00 0.00 H new ATOM 0 HB2 GLU A 200 3.900 4.643 7.145 1.00 0.00 H new ATOM 0 HB3 GLU A 200 4.876 4.444 8.586 1.00 0.00 H new ATOM 0 HG2 GLU A 200 6.166 6.527 7.867 1.00 0.00 H new ATOM 0 HG3 GLU A 200 4.951 6.758 6.625 1.00 0.00 H new ATOM 340 N ARG A 201 5.829 1.891 7.821 1.00 0.00 N ATOM 341 CA ARG A 201 5.524 0.470 7.925 1.00 0.00 C ATOM 342 C ARG A 201 4.019 0.239 8.022 1.00 0.00 C ATOM 343 O ARG A 201 3.428 0.405 9.088 1.00 0.00 O ATOM 344 CB ARG A 201 6.222 -0.133 9.148 1.00 0.00 C ATOM 345 CG ARG A 201 7.744 -0.079 9.077 1.00 0.00 C ATOM 346 CD ARG A 201 8.365 -0.376 10.431 1.00 0.00 C ATOM 347 NE ARG A 201 7.885 -1.636 10.988 1.00 0.00 N ATOM 348 CZ ARG A 201 8.157 -2.044 12.225 1.00 0.00 C ATOM 349 NH1 ARG A 201 8.899 -1.287 13.017 1.00 0.00 N ATOM 350 NH2 ARG A 201 7.678 -3.198 12.665 1.00 0.00 N ATOM 0 H ARG A 201 6.258 2.292 8.655 1.00 0.00 H new ATOM 0 HA ARG A 201 5.891 -0.021 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.890 0.396 10.041 1.00 0.00 H new ATOM 0 HB3 ARG A 201 5.909 -1.171 9.258 1.00 0.00 H new ATOM 0 HG2 ARG A 201 8.103 -0.800 8.343 1.00 0.00 H new ATOM 0 HG3 ARG A 201 8.061 0.907 8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 201 9.450 -0.413 10.332 1.00 0.00 H new ATOM 0 HD3 ARG A 201 8.136 0.436 11.121 1.00 0.00 H new ATOM 0 HE ARG A 201 7.310 -2.237 10.397 1.00 0.00 H new ATOM 0 HH11 ARG A 201 9.260 -0.395 12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 201 9.110 -1.595 13.966 1.00 0.00 H new ATOM 0 HH21 ARG A 201 7.099 -3.776 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 201 7.888 -3.509 13.614 1.00 0.00 H new ATOM 364 N GLY A 202 3.401 -0.140 6.910 1.00 0.00 N ATOM 365 CA GLY A 202 1.971 -0.382 6.909 1.00 0.00 C ATOM 366 C GLY A 202 1.177 0.774 6.339 1.00 0.00 C ATOM 367 O GLY A 202 -0.052 0.793 6.422 1.00 0.00 O ATOM 0 H GLY A 202 3.863 -0.284 6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 202 1.760 -1.281 6.330 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.640 -0.575 7.929 1.00 0.00 H new ATOM 371 N GLN A 203 1.873 1.741 5.758 1.00 0.00 N ATOM 372 CA GLN A 203 1.216 2.903 5.172 1.00 0.00 C ATOM 373 C GLN A 203 0.795 2.599 3.737 1.00 0.00 C ATOM 374 O GLN A 203 1.631 2.469 2.852 1.00 0.00 O ATOM 375 CB GLN A 203 2.152 4.115 5.215 1.00 0.00 C ATOM 376 CG GLN A 203 1.556 5.387 4.632 1.00 0.00 C ATOM 377 CD GLN A 203 2.468 6.585 4.784 1.00 0.00 C ATOM 378 OE1 GLN A 203 3.627 6.552 4.365 1.00 0.00 O ATOM 379 NE2 GLN A 203 1.955 7.652 5.378 1.00 0.00 N ATOM 0 H GLN A 203 2.890 1.745 5.679 1.00 0.00 H new ATOM 0 HA GLN A 203 0.323 3.136 5.752 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.437 4.303 6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 203 3.065 3.873 4.672 1.00 0.00 H new ATOM 0 HG2 GLN A 203 1.342 5.231 3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.605 5.595 5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 203 0.991 7.637 5.710 1.00 0.00 H new ATOM 0 HE22 GLN A 203 2.524 8.489 5.503 1.00 0.00 H new ATOM 388 N GLU A 204 -0.504 2.474 3.516 1.00 0.00 N ATOM 389 CA GLU A 204 -1.018 2.171 2.187 1.00 0.00 C ATOM 390 C GLU A 204 -1.065 3.425 1.320 1.00 0.00 C ATOM 391 O GLU A 204 -1.363 4.517 1.803 1.00 0.00 O ATOM 392 CB GLU A 204 -2.397 1.520 2.288 1.00 0.00 C ATOM 393 CG GLU A 204 -2.393 0.235 3.100 1.00 0.00 C ATOM 394 CD GLU A 204 -3.756 -0.406 3.181 1.00 0.00 C ATOM 395 OE1 GLU A 204 -4.677 0.220 3.737 1.00 0.00 O ATOM 396 OE2 GLU A 204 -3.911 -1.536 2.685 1.00 0.00 O ATOM 0 H GLU A 204 -1.220 2.577 4.235 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.340 1.465 1.708 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -3.093 2.226 2.741 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -2.766 1.307 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -1.691 -0.469 2.655 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -2.035 0.448 4.107 1.00 0.00 H new ATOM 403 N TYR A 205 -0.743 3.253 0.044 1.00 0.00 N ATOM 404 CA TYR A 205 -0.712 4.345 -0.924 1.00 0.00 C ATOM 405 C TYR A 205 -1.575 4.041 -2.141 1.00 0.00 C ATOM 406 O TYR A 205 -1.974 2.901 -2.383 1.00 0.00 O ATOM 407 CB TYR A 205 0.709 4.571 -1.453 1.00 0.00 C ATOM 408 CG TYR A 205 1.658 5.305 -0.548 1.00 0.00 C ATOM 409 CD1 TYR A 205 2.115 4.741 0.634 1.00 0.00 C ATOM 410 CD2 TYR A 205 2.136 6.554 -0.909 1.00 0.00 C ATOM 411 CE1 TYR A 205 3.022 5.406 1.429 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.035 7.226 -0.115 1.00 0.00 C ATOM 413 CZ TYR A 205 3.475 6.648 1.048 1.00 0.00 C ATOM 414 OH TYR A 205 4.377 7.314 1.828 1.00 0.00 O ATOM 0 H TYR A 205 -0.494 2.347 -0.352 1.00 0.00 H new ATOM 0 HA TYR A 205 -1.084 5.223 -0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.144 3.599 -1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 205 0.639 5.122 -2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 205 1.755 3.768 0.935 1.00 0.00 H new ATOM 0 HD2 TYR A 205 1.797 7.007 -1.829 1.00 0.00 H new ATOM 0 HE1 TYR A 205 3.375 4.956 2.345 1.00 0.00 H new ATOM 0 HE2 TYR A 205 3.392 8.203 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 205 4.193 7.128 2.772 1.00 0.00 H new ATOM 424 N ILE A 206 -1.795 5.067 -2.942 1.00 0.00 N ATOM 425 CA ILE A 206 -2.543 4.936 -4.172 1.00 0.00 C ATOM 426 C ILE A 206 -1.565 5.124 -5.333 1.00 0.00 C ATOM 427 O ILE A 206 -1.137 6.242 -5.610 1.00 0.00 O ATOM 428 CB ILE A 206 -3.667 5.999 -4.275 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.490 6.091 -2.980 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.579 5.691 -5.445 1.00 0.00 C ATOM 431 CD1 ILE A 206 -3.917 7.045 -1.939 1.00 0.00 C ATOM 0 H ILE A 206 -1.459 6.012 -2.756 1.00 0.00 H new ATOM 0 HA ILE A 206 -3.015 3.954 -4.200 1.00 0.00 H new ATOM 0 HB ILE A 206 -3.187 6.964 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.503 6.409 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.567 5.096 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -5.363 6.446 -5.504 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -4.000 5.696 -6.369 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -5.031 4.709 -5.305 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.558 7.050 -1.058 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -2.916 6.718 -1.658 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -3.866 8.051 -2.356 1.00 0.00 H new ATOM 443 N ILE A 207 -1.173 4.025 -5.973 1.00 0.00 N ATOM 444 CA ILE A 207 -0.203 4.059 -7.065 1.00 0.00 C ATOM 445 C ILE A 207 -0.695 4.891 -8.257 1.00 0.00 C ATOM 446 O ILE A 207 -1.805 4.701 -8.755 1.00 0.00 O ATOM 447 CB ILE A 207 0.170 2.613 -7.480 1.00 0.00 C ATOM 448 CG1 ILE A 207 0.962 2.569 -8.784 1.00 0.00 C ATOM 449 CG2 ILE A 207 -1.066 1.733 -7.575 1.00 0.00 C ATOM 450 CD1 ILE A 207 2.368 3.113 -8.660 1.00 0.00 C ATOM 0 H ILE A 207 -1.516 3.091 -5.751 1.00 0.00 H new ATOM 0 HA ILE A 207 0.696 4.560 -6.706 1.00 0.00 H new ATOM 0 HB ILE A 207 0.816 2.220 -6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 207 1.010 1.538 -9.135 1.00 0.00 H new ATOM 0 HG13 ILE A 207 0.427 3.139 -9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -0.773 0.725 -7.868 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -1.564 1.699 -6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -1.748 2.143 -8.319 1.00 0.00 H new ATOM 0 HD11 ILE A 207 2.869 3.049 -9.626 1.00 0.00 H new ATOM 0 HD12 ILE A 207 2.328 4.154 -8.340 1.00 0.00 H new ATOM 0 HD13 ILE A 207 2.921 2.528 -7.925 1.00 0.00 H new ATOM 462 N LEU A 208 0.146 5.828 -8.690 1.00 0.00 N ATOM 463 CA LEU A 208 -0.176 6.719 -9.800 1.00 0.00 C ATOM 464 C LEU A 208 0.389 6.195 -11.112 1.00 0.00 C ATOM 465 O LEU A 208 -0.354 5.784 -12.003 1.00 0.00 O ATOM 466 CB LEU A 208 0.400 8.125 -9.561 1.00 0.00 C ATOM 467 CG LEU A 208 0.077 8.752 -8.208 1.00 0.00 C ATOM 468 CD1 LEU A 208 0.686 10.136 -8.088 1.00 0.00 C ATOM 469 CD2 LEU A 208 -1.428 8.814 -8.008 1.00 0.00 C ATOM 0 H LEU A 208 1.067 5.990 -8.282 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.263 6.765 -9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.484 8.077 -9.669 1.00 0.00 H new ATOM 0 HB3 LEU A 208 0.031 8.787 -10.345 1.00 0.00 H new ATOM 0 HG LEU A 208 0.512 8.127 -7.428 1.00 0.00 H new ATOM 0 HD11 LEU A 208 0.440 10.559 -7.114 1.00 0.00 H new ATOM 0 HD12 LEU A 208 1.769 10.067 -8.190 1.00 0.00 H new ATOM 0 HD13 LEU A 208 0.288 10.778 -8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 208 -1.648 9.263 -7.039 1.00 0.00 H new ATOM 0 HD22 LEU A 208 -1.875 9.417 -8.798 1.00 0.00 H new ATOM 0 HD23 LEU A 208 -1.842 7.806 -8.043 1.00 0.00 H new ATOM 481 N GLU A 209 1.709 6.243 -11.235 1.00 0.00 N ATOM 482 CA GLU A 209 2.385 5.811 -12.450 1.00 0.00 C ATOM 483 C GLU A 209 3.446 4.762 -12.167 1.00 0.00 C ATOM 484 O GLU A 209 4.238 4.897 -11.232 1.00 0.00 O ATOM 485 CB GLU A 209 3.061 7.006 -13.128 1.00 0.00 C ATOM 486 CG GLU A 209 2.126 8.161 -13.441 1.00 0.00 C ATOM 487 CD GLU A 209 2.869 9.387 -13.912 1.00 0.00 C ATOM 488 OE1 GLU A 209 3.619 9.284 -14.900 1.00 0.00 O ATOM 489 OE2 GLU A 209 2.713 10.451 -13.290 1.00 0.00 O ATOM 0 H GLU A 209 2.335 6.579 -10.503 1.00 0.00 H new ATOM 0 HA GLU A 209 1.625 5.377 -13.100 1.00 0.00 H new ATOM 0 HB2 GLU A 209 3.863 7.368 -12.484 1.00 0.00 H new ATOM 0 HB3 GLU A 209 3.524 6.668 -14.055 1.00 0.00 H new ATOM 0 HG2 GLU A 209 1.415 7.853 -14.208 1.00 0.00 H new ATOM 0 HG3 GLU A 209 1.548 8.409 -12.551 1.00 0.00 H new ATOM 496 N LYS A 210 3.489 3.742 -13.009 1.00 0.00 N ATOM 497 CA LYS A 210 4.485 2.693 -12.882 1.00 0.00 C ATOM 498 C LYS A 210 5.426 2.760 -14.079 1.00 0.00 C ATOM 499 O LYS A 210 5.680 1.759 -14.752 1.00 0.00 O ATOM 500 CB LYS A 210 3.818 1.317 -12.784 1.00 0.00 C ATOM 501 CG LYS A 210 4.755 0.204 -12.327 1.00 0.00 C ATOM 502 CD LYS A 210 4.014 -1.115 -12.137 1.00 0.00 C ATOM 503 CE LYS A 210 3.468 -1.652 -13.453 1.00 0.00 C ATOM 504 NZ LYS A 210 2.681 -2.900 -13.261 1.00 0.00 N ATOM 0 H LYS A 210 2.844 3.619 -13.789 1.00 0.00 H new ATOM 0 HA LYS A 210 5.056 2.842 -11.965 1.00 0.00 H new ATOM 0 HB2 LYS A 210 2.980 1.380 -12.090 1.00 0.00 H new ATOM 0 HB3 LYS A 210 3.406 1.054 -13.758 1.00 0.00 H new ATOM 0 HG2 LYS A 210 5.549 0.073 -13.062 1.00 0.00 H new ATOM 0 HG3 LYS A 210 5.232 0.492 -11.390 1.00 0.00 H new ATOM 0 HD2 LYS A 210 4.687 -1.850 -11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 210 3.193 -0.973 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 210 2.839 -0.895 -13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 210 4.295 -1.846 -14.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 2.327 -3.232 -14.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 3.288 -3.631 -12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 1.877 -2.710 -12.629 1.00 0.00 H new ATOM 518 N ASN A 211 5.932 3.965 -14.333 1.00 0.00 N ATOM 519 CA ASN A 211 6.852 4.210 -15.442 1.00 0.00 C ATOM 520 C ASN A 211 8.092 3.341 -15.285 1.00 0.00 C ATOM 521 O ASN A 211 8.540 2.691 -16.228 1.00 0.00 O ATOM 522 CB ASN A 211 7.241 5.692 -15.479 1.00 0.00 C ATOM 523 CG ASN A 211 8.177 6.035 -16.615 1.00 0.00 C ATOM 524 OD1 ASN A 211 7.815 5.935 -17.792 1.00 0.00 O ATOM 525 ND2 ASN A 211 9.388 6.447 -16.271 1.00 0.00 N ATOM 0 H ASN A 211 5.718 4.795 -13.780 1.00 0.00 H new ATOM 0 HA ASN A 211 6.360 3.954 -16.381 1.00 0.00 H new ATOM 0 HB2 ASN A 211 6.338 6.296 -15.567 1.00 0.00 H new ATOM 0 HB3 ASN A 211 7.714 5.960 -14.534 1.00 0.00 H new ATOM 0 HD21 ASN A 211 10.065 6.697 -16.991 1.00 0.00 H new ATOM 0 HD22 ASN A 211 9.643 6.514 -15.286 1.00 0.00 H new ATOM 532 N ASP A 212 8.610 3.314 -14.069 1.00 0.00 N ATOM 533 CA ASP A 212 9.768 2.505 -13.743 1.00 0.00 C ATOM 534 C ASP A 212 9.353 1.478 -12.702 1.00 0.00 C ATOM 535 O ASP A 212 8.667 1.818 -11.739 1.00 0.00 O ATOM 536 CB ASP A 212 10.899 3.390 -13.205 1.00 0.00 C ATOM 537 CG ASP A 212 12.223 2.664 -13.102 1.00 0.00 C ATOM 538 OD1 ASP A 212 12.287 1.481 -13.485 1.00 0.00 O ATOM 539 OD2 ASP A 212 13.206 3.289 -12.657 1.00 0.00 O ATOM 0 H ASP A 212 8.240 3.850 -13.284 1.00 0.00 H new ATOM 0 HA ASP A 212 10.136 1.999 -14.636 1.00 0.00 H new ATOM 0 HB2 ASP A 212 11.016 4.256 -13.857 1.00 0.00 H new ATOM 0 HB3 ASP A 212 10.621 3.767 -12.221 1.00 0.00 H new ATOM 544 N LEU A 213 9.749 0.229 -12.894 1.00 0.00 N ATOM 545 CA LEU A 213 9.395 -0.829 -11.957 1.00 0.00 C ATOM 546 C LEU A 213 10.113 -0.644 -10.629 1.00 0.00 C ATOM 547 O LEU A 213 9.698 -1.182 -9.608 1.00 0.00 O ATOM 548 CB LEU A 213 9.705 -2.210 -12.539 1.00 0.00 C ATOM 549 CG LEU A 213 8.580 -2.821 -13.370 1.00 0.00 C ATOM 550 CD1 LEU A 213 8.275 -1.979 -14.597 1.00 0.00 C ATOM 551 CD2 LEU A 213 8.922 -4.243 -13.770 1.00 0.00 C ATOM 0 H LEU A 213 10.313 -0.077 -13.686 1.00 0.00 H new ATOM 0 HA LEU A 213 8.321 -0.765 -11.781 1.00 0.00 H new ATOM 0 HB2 LEU A 213 10.597 -2.135 -13.160 1.00 0.00 H new ATOM 0 HB3 LEU A 213 9.943 -2.889 -11.720 1.00 0.00 H new ATOM 0 HG LEU A 213 7.684 -2.841 -12.750 1.00 0.00 H new ATOM 0 HD11 LEU A 213 7.469 -2.443 -15.166 1.00 0.00 H new ATOM 0 HD12 LEU A 213 7.971 -0.980 -14.286 1.00 0.00 H new ATOM 0 HD13 LEU A 213 9.166 -1.909 -15.221 1.00 0.00 H new ATOM 0 HD21 LEU A 213 8.107 -4.660 -14.362 1.00 0.00 H new ATOM 0 HD22 LEU A 213 9.838 -4.244 -14.361 1.00 0.00 H new ATOM 0 HD23 LEU A 213 9.067 -4.848 -12.875 1.00 0.00 H new ATOM 563 N HIS A 214 11.185 0.133 -10.654 1.00 0.00 N ATOM 564 CA HIS A 214 11.962 0.407 -9.449 1.00 0.00 C ATOM 565 C HIS A 214 11.491 1.699 -8.795 1.00 0.00 C ATOM 566 O HIS A 214 11.650 1.899 -7.587 1.00 0.00 O ATOM 567 CB HIS A 214 13.457 0.499 -9.781 1.00 0.00 C ATOM 568 CG HIS A 214 14.039 -0.772 -10.330 1.00 0.00 C ATOM 569 ND1 HIS A 214 15.302 -0.849 -10.882 1.00 0.00 N ATOM 570 CD2 HIS A 214 13.529 -2.027 -10.394 1.00 0.00 C ATOM 571 CE1 HIS A 214 15.544 -2.096 -11.254 1.00 0.00 C ATOM 572 NE2 HIS A 214 14.483 -2.828 -10.970 1.00 0.00 N ATOM 0 H HIS A 214 11.539 0.587 -11.496 1.00 0.00 H new ATOM 0 HA HIS A 214 11.810 -0.416 -8.750 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.609 1.299 -10.505 1.00 0.00 H new ATOM 0 HB3 HIS A 214 14.003 0.777 -8.879 1.00 0.00 H new ATOM 0 HD2 HIS A 214 12.552 -2.339 -10.054 1.00 0.00 H new ATOM 0 HE1 HIS A 214 16.454 -2.454 -11.712 1.00 0.00 H new ATOM 0 HE2 HIS A 214 14.388 -3.828 -11.150 1.00 0.00 H new ATOM 581 N TRP A 215 10.913 2.578 -9.605 1.00 0.00 N ATOM 582 CA TRP A 215 10.415 3.863 -9.126 1.00 0.00 C ATOM 583 C TRP A 215 8.931 4.017 -9.420 1.00 0.00 C ATOM 584 O TRP A 215 8.537 4.507 -10.481 1.00 0.00 O ATOM 585 CB TRP A 215 11.205 5.011 -9.755 1.00 0.00 C ATOM 586 CG TRP A 215 12.575 5.165 -9.177 1.00 0.00 C ATOM 587 CD1 TRP A 215 13.725 4.551 -9.579 1.00 0.00 C ATOM 588 CD2 TRP A 215 12.920 5.961 -8.047 1.00 0.00 C ATOM 589 NE1 TRP A 215 14.772 4.942 -8.774 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.297 5.808 -7.821 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.188 6.801 -7.212 1.00 0.00 C ATOM 592 CZ2 TRP A 215 14.957 6.468 -6.782 1.00 0.00 C ATOM 593 CZ3 TRP A 215 12.833 7.454 -6.190 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.206 7.287 -5.978 1.00 0.00 C ATOM 0 H TRP A 215 10.777 2.423 -10.604 1.00 0.00 H new ATOM 0 HA TRP A 215 10.552 3.896 -8.045 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.287 4.842 -10.829 1.00 0.00 H new ATOM 0 HB3 TRP A 215 10.653 5.941 -9.619 1.00 0.00 H new ATOM 0 HD1 TRP A 215 13.803 3.861 -10.406 1.00 0.00 H new ATOM 0 HE1 TRP A 215 15.741 4.638 -8.870 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.128 6.937 -7.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.017 6.339 -6.618 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.271 8.107 -5.539 1.00 0.00 H new ATOM 0 HH2 TRP A 215 14.684 7.813 -5.165 1.00 0.00 H new ATOM 605 N TRP A 216 8.118 3.599 -8.463 1.00 0.00 N ATOM 606 CA TRP A 216 6.667 3.681 -8.587 1.00 0.00 C ATOM 607 C TRP A 216 6.145 5.000 -8.035 1.00 0.00 C ATOM 608 O TRP A 216 6.263 5.266 -6.844 1.00 0.00 O ATOM 609 CB TRP A 216 5.990 2.542 -7.821 1.00 0.00 C ATOM 610 CG TRP A 216 6.097 1.186 -8.456 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.984 0.760 -9.399 1.00 0.00 C ATOM 612 CD2 TRP A 216 5.280 0.064 -8.150 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.756 -0.564 -9.698 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.714 -1.011 -8.941 1.00 0.00 C ATOM 615 CE3 TRP A 216 4.219 -0.124 -7.281 1.00 0.00 C ATOM 616 CZ2 TRP A 216 5.117 -2.267 -8.878 1.00 0.00 C ATOM 617 CZ3 TRP A 216 3.624 -1.362 -7.215 1.00 0.00 C ATOM 618 CH2 TRP A 216 4.071 -2.423 -8.008 1.00 0.00 C ATOM 0 H TRP A 216 8.440 3.196 -7.583 1.00 0.00 H new ATOM 0 HA TRP A 216 6.432 3.607 -9.649 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.422 2.492 -6.822 1.00 0.00 H new ATOM 0 HB3 TRP A 216 4.934 2.785 -7.700 1.00 0.00 H new ATOM 0 HD1 TRP A 216 7.753 1.372 -9.846 1.00 0.00 H new ATOM 0 HE1 TRP A 216 7.280 -1.119 -10.374 1.00 0.00 H new ATOM 0 HE3 TRP A 216 3.864 0.689 -6.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 5.465 -3.086 -9.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 2.797 -1.517 -6.538 1.00 0.00 H new ATOM 0 HH2 TRP A 216 3.582 -3.383 -7.933 1.00 0.00 H new ATOM 629 N ARG A 217 5.528 5.808 -8.880 1.00 0.00 N ATOM 630 CA ARG A 217 4.957 7.069 -8.428 1.00 0.00 C ATOM 631 C ARG A 217 3.615 6.804 -7.772 1.00 0.00 C ATOM 632 O ARG A 217 2.718 6.257 -8.402 1.00 0.00 O ATOM 633 CB ARG A 217 4.784 8.034 -9.601 1.00 0.00 C ATOM 634 CG ARG A 217 5.797 9.166 -9.615 1.00 0.00 C ATOM 635 CD ARG A 217 5.141 10.500 -9.303 1.00 0.00 C ATOM 636 NE ARG A 217 6.094 11.607 -9.353 1.00 0.00 N ATOM 637 CZ ARG A 217 5.743 12.869 -9.596 1.00 0.00 C ATOM 638 NH1 ARG A 217 4.480 13.167 -9.875 1.00 0.00 N ATOM 639 NH2 ARG A 217 6.659 13.827 -9.560 1.00 0.00 N ATOM 0 H ARG A 217 5.409 5.618 -9.875 1.00 0.00 H new ATOM 0 HA ARG A 217 5.634 7.527 -7.707 1.00 0.00 H new ATOM 0 HB2 ARG A 217 4.863 7.476 -10.534 1.00 0.00 H new ATOM 0 HB3 ARG A 217 3.780 8.457 -9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 217 6.580 8.964 -8.885 1.00 0.00 H new ATOM 0 HG3 ARG A 217 6.277 9.215 -10.592 1.00 0.00 H new ATOM 0 HD2 ARG A 217 4.336 10.683 -10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.687 10.457 -8.313 1.00 0.00 H new ATOM 0 HE ARG A 217 7.080 11.402 -9.193 1.00 0.00 H new ATOM 0 HH11 ARG A 217 3.776 12.429 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 217 4.213 14.134 -10.061 1.00 0.00 H new ATOM 0 HH21 ARG A 217 7.630 13.597 -9.347 1.00 0.00 H new ATOM 0 HH22 ARG A 217 6.393 14.794 -9.746 1.00 0.00 H new ATOM 653 N ALA A 218 3.478 7.174 -6.510 1.00 0.00 N ATOM 654 CA ALA A 218 2.232 6.950 -5.788 1.00 0.00 C ATOM 655 C ALA A 218 1.770 8.213 -5.081 1.00 0.00 C ATOM 656 O ALA A 218 2.553 9.132 -4.867 1.00 0.00 O ATOM 657 CB ALA A 218 2.395 5.818 -4.789 1.00 0.00 C ATOM 0 H ALA A 218 4.209 7.629 -5.964 1.00 0.00 H new ATOM 0 HA ALA A 218 1.469 6.672 -6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.456 5.663 -4.258 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.669 4.904 -5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.178 6.073 -4.075 1.00 0.00 H new ATOM 663 N ARG A 219 0.491 8.242 -4.731 1.00 0.00 N ATOM 664 CA ARG A 219 -0.108 9.382 -4.053 1.00 0.00 C ATOM 665 C ARG A 219 -0.493 8.991 -2.627 1.00 0.00 C ATOM 666 O ARG A 219 -1.019 7.904 -2.402 1.00 0.00 O ATOM 667 CB ARG A 219 -1.353 9.832 -4.840 1.00 0.00 C ATOM 668 CG ARG A 219 -1.704 11.302 -4.717 1.00 0.00 C ATOM 669 CD ARG A 219 -2.347 11.620 -3.375 1.00 0.00 C ATOM 670 NE ARG A 219 -3.452 10.716 -3.048 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.662 10.759 -3.616 1.00 0.00 C ATOM 672 NH1 ARG A 219 -4.931 11.658 -4.556 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.599 9.903 -3.240 1.00 0.00 N ATOM 0 H ARG A 219 -0.159 7.477 -4.909 1.00 0.00 H new ATOM 0 HA ARG A 219 0.606 10.204 -4.005 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -1.199 9.600 -5.894 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -2.207 9.243 -4.505 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -0.802 11.902 -4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -2.385 11.582 -5.521 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -1.591 11.561 -2.592 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.714 12.646 -3.387 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.287 10.003 -2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -4.213 12.321 -4.848 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -5.856 11.686 -4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.398 9.211 -2.518 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -6.522 9.935 -3.673 1.00 0.00 H new ATOM 687 N ASP A 220 -0.234 9.877 -1.678 1.00 0.00 N ATOM 688 CA ASP A 220 -0.559 9.629 -0.277 1.00 0.00 C ATOM 689 C ASP A 220 -1.246 10.835 0.326 1.00 0.00 C ATOM 690 O ASP A 220 -2.242 10.713 1.043 1.00 0.00 O ATOM 691 CB ASP A 220 0.706 9.311 0.528 1.00 0.00 C ATOM 692 CG ASP A 220 0.433 9.075 1.999 1.00 0.00 C ATOM 693 OD1 ASP A 220 0.372 10.058 2.766 1.00 0.00 O ATOM 694 OD2 ASP A 220 0.259 7.905 2.384 1.00 0.00 O ATOM 0 H ASP A 220 0.204 10.782 -1.852 1.00 0.00 H new ATOM 0 HA ASP A 220 -1.230 8.771 -0.236 1.00 0.00 H new ATOM 0 HB2 ASP A 220 1.184 8.426 0.107 1.00 0.00 H new ATOM 0 HB3 ASP A 220 1.412 10.135 0.424 1.00 0.00 H new ATOM 699 N LYS A 221 -0.696 12.002 0.047 1.00 0.00 N ATOM 700 CA LYS A 221 -1.239 13.237 0.581 1.00 0.00 C ATOM 701 C LYS A 221 -2.297 13.825 -0.349 1.00 0.00 C ATOM 702 O LYS A 221 -3.319 13.193 -0.617 1.00 0.00 O ATOM 703 CB LYS A 221 -0.113 14.249 0.814 1.00 0.00 C ATOM 704 CG LYS A 221 1.140 13.624 1.411 1.00 0.00 C ATOM 705 CD LYS A 221 2.230 14.643 1.690 1.00 0.00 C ATOM 706 CE LYS A 221 1.812 15.649 2.747 1.00 0.00 C ATOM 707 NZ LYS A 221 2.933 16.552 3.125 1.00 0.00 N ATOM 0 H LYS A 221 0.126 12.121 -0.546 1.00 0.00 H new ATOM 0 HA LYS A 221 -1.719 13.012 1.533 1.00 0.00 H new ATOM 0 HB2 LYS A 221 0.142 14.724 -0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -0.471 15.035 1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 221 0.880 13.114 2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 221 1.524 12.866 0.728 1.00 0.00 H new ATOM 0 HD2 LYS A 221 3.133 14.127 2.017 1.00 0.00 H new ATOM 0 HD3 LYS A 221 2.479 15.168 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 221 0.977 16.242 2.374 1.00 0.00 H new ATOM 0 HE3 LYS A 221 1.457 15.120 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 2.608 17.224 3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 3.720 15.988 3.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 3.255 17.075 2.286 1.00 0.00 H new ATOM 721 N TYR A 222 -2.048 15.047 -0.828 1.00 0.00 N ATOM 722 CA TYR A 222 -2.981 15.734 -1.716 1.00 0.00 C ATOM 723 C TYR A 222 -2.237 16.408 -2.869 1.00 0.00 C ATOM 724 O TYR A 222 -2.360 17.619 -3.069 1.00 0.00 O ATOM 725 CB TYR A 222 -3.784 16.803 -0.959 1.00 0.00 C ATOM 726 CG TYR A 222 -3.876 16.587 0.536 1.00 0.00 C ATOM 727 CD1 TYR A 222 -2.802 16.890 1.367 1.00 0.00 C ATOM 728 CD2 TYR A 222 -5.029 16.075 1.116 1.00 0.00 C ATOM 729 CE1 TYR A 222 -2.875 16.691 2.728 1.00 0.00 C ATOM 730 CE2 TYR A 222 -5.108 15.874 2.480 1.00 0.00 C ATOM 731 CZ TYR A 222 -4.028 16.183 3.279 1.00 0.00 C ATOM 732 OH TYR A 222 -4.103 15.987 4.636 1.00 0.00 O ATOM 0 H TYR A 222 -1.205 15.579 -0.613 1.00 0.00 H new ATOM 0 HA TYR A 222 -3.664 14.980 -2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -3.331 17.777 -1.144 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -4.793 16.838 -1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -1.895 17.288 0.937 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -5.876 15.831 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -2.032 16.932 3.358 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -6.011 15.477 2.919 1.00 0.00 H new ATOM 0 HH TYR A 222 -4.984 15.624 4.866 1.00 0.00 H new ATOM 742 N GLY A 223 -1.456 15.639 -3.620 1.00 0.00 N ATOM 743 CA GLY A 223 -0.707 16.207 -4.732 1.00 0.00 C ATOM 744 C GLY A 223 0.769 16.362 -4.413 1.00 0.00 C ATOM 745 O GLY A 223 1.596 16.515 -5.313 1.00 0.00 O ATOM 0 H GLY A 223 -1.327 14.637 -3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -0.822 15.569 -5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -1.125 17.180 -4.989 1.00 0.00 H new ATOM 749 N SER A 224 1.100 16.297 -3.130 1.00 0.00 N ATOM 750 CA SER A 224 2.483 16.399 -2.673 1.00 0.00 C ATOM 751 C SER A 224 3.118 15.019 -2.682 1.00 0.00 C ATOM 752 O SER A 224 3.594 14.531 -1.656 1.00 0.00 O ATOM 753 CB SER A 224 2.516 16.964 -1.258 1.00 0.00 C ATOM 754 OG SER A 224 1.927 18.256 -1.209 1.00 0.00 O ATOM 0 H SER A 224 0.422 16.173 -2.378 1.00 0.00 H new ATOM 0 HA SER A 224 3.037 17.062 -3.338 1.00 0.00 H new ATOM 0 HB2 SER A 224 1.985 16.293 -0.583 1.00 0.00 H new ATOM 0 HB3 SER A 224 3.547 17.018 -0.908 1.00 0.00 H new ATOM 0 HG SER A 224 1.959 18.596 -0.290 1.00 0.00 H new ATOM 760 N GLU A 225 3.058 14.368 -3.833 1.00 0.00 N ATOM 761 CA GLU A 225 3.556 13.009 -3.965 1.00 0.00 C ATOM 762 C GLU A 225 4.821 12.932 -4.808 1.00 0.00 C ATOM 763 O GLU A 225 5.430 13.956 -5.130 1.00 0.00 O ATOM 764 CB GLU A 225 2.446 12.147 -4.567 1.00 0.00 C ATOM 765 CG GLU A 225 1.067 12.696 -4.278 1.00 0.00 C ATOM 766 CD GLU A 225 0.752 12.762 -2.804 1.00 0.00 C ATOM 767 OE1 GLU A 225 1.404 12.050 -2.019 1.00 0.00 O ATOM 768 OE2 GLU A 225 -0.166 13.510 -2.441 1.00 0.00 O ATOM 0 H GLU A 225 2.669 14.760 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 225 3.830 12.639 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 225 2.588 12.079 -5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 225 2.521 11.134 -4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 225 0.983 13.695 -4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 225 0.323 12.073 -4.775 1.00 0.00 H new ATOM 775 N GLY A 226 5.214 11.714 -5.158 1.00 0.00 N ATOM 776 CA GLY A 226 6.409 11.517 -5.953 1.00 0.00 C ATOM 777 C GLY A 226 6.664 10.055 -6.238 1.00 0.00 C ATOM 778 O GLY A 226 5.750 9.229 -6.164 1.00 0.00 O ATOM 0 H GLY A 226 4.724 10.856 -4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.312 12.058 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 226 7.267 11.939 -5.429 1.00 0.00 H new ATOM 782 N TYR A 227 7.905 9.730 -6.566 1.00 0.00 N ATOM 783 CA TYR A 227 8.272 8.355 -6.856 1.00 0.00 C ATOM 784 C TYR A 227 8.648 7.635 -5.574 1.00 0.00 C ATOM 785 O TYR A 227 9.235 8.221 -4.664 1.00 0.00 O ATOM 786 CB TYR A 227 9.449 8.250 -7.836 1.00 0.00 C ATOM 787 CG TYR A 227 9.409 9.179 -9.021 1.00 0.00 C ATOM 788 CD1 TYR A 227 9.808 10.497 -8.897 1.00 0.00 C ATOM 789 CD2 TYR A 227 8.988 8.732 -10.263 1.00 0.00 C ATOM 790 CE1 TYR A 227 9.790 11.351 -9.979 1.00 0.00 C ATOM 791 CE2 TYR A 227 8.964 9.579 -11.354 1.00 0.00 C ATOM 792 CZ TYR A 227 9.367 10.889 -11.207 1.00 0.00 C ATOM 793 OH TYR A 227 9.356 11.739 -12.288 1.00 0.00 O ATOM 0 H TYR A 227 8.672 10.398 -6.638 1.00 0.00 H new ATOM 0 HA TYR A 227 7.401 7.893 -7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.371 8.435 -7.286 1.00 0.00 H new ATOM 0 HB3 TYR A 227 9.498 7.225 -8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 227 10.139 10.864 -7.937 1.00 0.00 H new ATOM 0 HD2 TYR A 227 8.674 7.705 -10.380 1.00 0.00 H new ATOM 0 HE1 TYR A 227 10.106 12.377 -9.865 1.00 0.00 H new ATOM 0 HE2 TYR A 227 8.632 9.217 -12.316 1.00 0.00 H new ATOM 0 HH TYR A 227 9.032 11.259 -13.079 1.00 0.00 H new ATOM 803 N ILE A 228 8.316 6.363 -5.514 1.00 0.00 N ATOM 804 CA ILE A 228 8.615 5.542 -4.359 1.00 0.00 C ATOM 805 C ILE A 228 9.376 4.302 -4.792 1.00 0.00 C ATOM 806 O ILE A 228 8.960 3.610 -5.725 1.00 0.00 O ATOM 807 CB ILE A 228 7.332 5.056 -3.638 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.522 6.214 -3.033 1.00 0.00 C ATOM 809 CG2 ILE A 228 7.678 4.058 -2.549 1.00 0.00 C ATOM 810 CD1 ILE A 228 5.629 6.935 -4.012 1.00 0.00 C ATOM 0 H ILE A 228 7.832 5.869 -6.263 1.00 0.00 H new ATOM 0 HA ILE A 228 9.201 6.162 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 228 6.712 4.577 -4.395 1.00 0.00 H new ATOM 0 HG12 ILE A 228 5.909 5.825 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 228 7.213 6.933 -2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 228 6.765 3.728 -2.054 1.00 0.00 H new ATOM 0 HG22 ILE A 228 8.182 3.198 -2.990 1.00 0.00 H new ATOM 0 HG23 ILE A 228 8.336 4.529 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 228 5.097 7.735 -3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 228 6.235 7.358 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 228 4.909 6.233 -4.433 1.00 0.00 H new ATOM 822 N PRO A 229 10.474 3.968 -4.109 1.00 0.00 N ATOM 823 CA PRO A 229 11.214 2.773 -4.429 1.00 0.00 C ATOM 824 C PRO A 229 10.412 1.555 -4.006 1.00 0.00 C ATOM 825 O PRO A 229 10.334 1.258 -2.814 1.00 0.00 O ATOM 826 CB PRO A 229 12.498 2.863 -3.597 1.00 0.00 C ATOM 827 CG PRO A 229 12.467 4.202 -2.922 1.00 0.00 C ATOM 828 CD PRO A 229 11.044 4.690 -2.966 1.00 0.00 C ATOM 0 HA PRO A 229 11.422 2.686 -5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 229 12.543 2.058 -2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 229 13.380 2.767 -4.231 1.00 0.00 H new ATOM 0 HG2 PRO A 229 12.814 4.122 -1.892 1.00 0.00 H new ATOM 0 HG3 PRO A 229 13.130 4.903 -3.428 1.00 0.00 H new ATOM 0 HD2 PRO A 229 10.512 4.464 -2.042 1.00 0.00 H new ATOM 0 HD3 PRO A 229 10.993 5.770 -3.107 1.00 0.00 H new ATOM 836 N SER A 230 9.802 0.878 -4.977 1.00 0.00 N ATOM 837 CA SER A 230 8.983 -0.317 -4.727 1.00 0.00 C ATOM 838 C SER A 230 9.698 -1.341 -3.835 1.00 0.00 C ATOM 839 O SER A 230 9.071 -2.250 -3.297 1.00 0.00 O ATOM 840 CB SER A 230 8.587 -0.963 -6.056 1.00 0.00 C ATOM 841 OG SER A 230 9.712 -1.076 -6.916 1.00 0.00 O ATOM 0 H SER A 230 9.859 1.139 -5.961 1.00 0.00 H new ATOM 0 HA SER A 230 8.090 0.006 -4.192 1.00 0.00 H new ATOM 0 HB2 SER A 230 8.162 -1.950 -5.874 1.00 0.00 H new ATOM 0 HB3 SER A 230 7.813 -0.367 -6.539 1.00 0.00 H new ATOM 0 HG SER A 230 9.411 -1.093 -7.848 1.00 0.00 H new ATOM 847 N ASN A 231 11.001 -1.162 -3.649 1.00 0.00 N ATOM 848 CA ASN A 231 11.777 -2.034 -2.788 1.00 0.00 C ATOM 849 C ASN A 231 11.247 -1.954 -1.355 1.00 0.00 C ATOM 850 O ASN A 231 11.417 -2.879 -0.561 1.00 0.00 O ATOM 851 CB ASN A 231 13.258 -1.647 -2.816 1.00 0.00 C ATOM 852 CG ASN A 231 14.101 -2.548 -1.934 1.00 0.00 C ATOM 853 OD1 ASN A 231 14.166 -3.756 -2.153 1.00 0.00 O ATOM 854 ND2 ASN A 231 14.746 -1.974 -0.931 1.00 0.00 N ATOM 0 H ASN A 231 11.541 -0.416 -4.087 1.00 0.00 H new ATOM 0 HA ASN A 231 11.680 -3.056 -3.154 1.00 0.00 H new ATOM 0 HB2 ASN A 231 13.626 -1.697 -3.841 1.00 0.00 H new ATOM 0 HB3 ASN A 231 13.368 -0.613 -2.488 1.00 0.00 H new ATOM 0 HD21 ASN A 231 15.323 -2.538 -0.306 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.666 -0.968 -0.783 1.00 0.00 H new ATOM 861 N TYR A 232 10.597 -0.831 -1.042 1.00 0.00 N ATOM 862 CA TYR A 232 10.028 -0.605 0.281 1.00 0.00 C ATOM 863 C TYR A 232 8.498 -0.649 0.259 1.00 0.00 C ATOM 864 O TYR A 232 7.870 -0.511 1.304 1.00 0.00 O ATOM 865 CB TYR A 232 10.469 0.756 0.842 1.00 0.00 C ATOM 866 CG TYR A 232 11.962 0.913 1.015 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.797 1.081 -0.081 1.00 0.00 C ATOM 868 CD2 TYR A 232 12.533 0.887 2.281 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.161 1.214 0.077 1.00 0.00 C ATOM 870 CE2 TYR A 232 13.896 1.021 2.447 1.00 0.00 C ATOM 871 CZ TYR A 232 14.703 1.183 1.343 1.00 0.00 C ATOM 872 OH TYR A 232 16.061 1.311 1.502 1.00 0.00 O ATOM 0 H TYR A 232 10.453 -0.061 -1.695 1.00 0.00 H new ATOM 0 HA TYR A 232 10.397 -1.409 0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.109 1.542 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 232 9.987 0.909 1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.372 1.108 -1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 232 11.901 0.760 3.148 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.799 1.341 -0.785 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.327 0.999 3.437 1.00 0.00 H new ATOM 0 HH TYR A 232 16.284 1.270 2.455 1.00 0.00 H new ATOM 882 N VAL A 233 7.897 -0.827 -0.918 1.00 0.00 N ATOM 883 CA VAL A 233 6.437 -0.872 -1.028 1.00 0.00 C ATOM 884 C VAL A 233 5.977 -2.042 -1.904 1.00 0.00 C ATOM 885 O VAL A 233 6.425 -2.204 -3.036 1.00 0.00 O ATOM 886 CB VAL A 233 5.854 0.453 -1.593 1.00 0.00 C ATOM 887 CG1 VAL A 233 6.562 0.860 -2.870 1.00 0.00 C ATOM 888 CG2 VAL A 233 4.357 0.347 -1.823 1.00 0.00 C ATOM 0 H VAL A 233 8.393 -0.942 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 233 6.059 -1.013 -0.015 1.00 0.00 H new ATOM 0 HB VAL A 233 6.024 1.228 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 233 6.134 1.790 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 233 7.623 1.005 -2.667 1.00 0.00 H new ATOM 0 HG13 VAL A 233 6.439 0.078 -3.619 1.00 0.00 H new ATOM 0 HG21 VAL A 233 3.982 1.291 -2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 233 4.154 -0.451 -2.537 1.00 0.00 H new ATOM 0 HG23 VAL A 233 3.859 0.125 -0.879 1.00 0.00 H new ATOM 898 N THR A 234 5.058 -2.836 -1.385 1.00 0.00 N ATOM 899 CA THR A 234 4.520 -3.961 -2.127 1.00 0.00 C ATOM 900 C THR A 234 3.225 -3.537 -2.802 1.00 0.00 C ATOM 901 O THR A 234 2.737 -2.426 -2.575 1.00 0.00 O ATOM 902 CB THR A 234 4.291 -5.152 -1.184 1.00 0.00 C ATOM 903 OG1 THR A 234 3.938 -6.317 -1.911 1.00 0.00 O ATOM 904 CG2 THR A 234 3.206 -4.914 -0.148 1.00 0.00 C ATOM 0 H THR A 234 4.668 -2.722 -0.450 1.00 0.00 H new ATOM 0 HA THR A 234 5.229 -4.275 -2.893 1.00 0.00 H new ATOM 0 HB THR A 234 5.241 -5.281 -0.665 1.00 0.00 H new ATOM 0 HG1 THR A 234 3.799 -7.061 -1.289 1.00 0.00 H new ATOM 0 HG21 THR A 234 3.103 -5.799 0.480 1.00 0.00 H new ATOM 0 HG22 THR A 234 3.476 -4.059 0.471 1.00 0.00 H new ATOM 0 HG23 THR A 234 2.260 -4.714 -0.651 1.00 0.00 H new ATOM 912 N GLY A 235 2.654 -4.416 -3.612 1.00 0.00 N ATOM 913 CA GLY A 235 1.404 -4.094 -4.265 1.00 0.00 C ATOM 914 C GLY A 235 0.266 -4.223 -3.284 1.00 0.00 C ATOM 915 O GLY A 235 0.370 -3.766 -2.147 1.00 0.00 O ATOM 0 H GLY A 235 3.031 -5.339 -3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 235 1.441 -3.079 -4.661 1.00 0.00 H new ATOM 0 HA3 GLY A 235 1.243 -4.761 -5.112 1.00 0.00 H new ATOM 919 N LYS A 236 -0.808 -4.872 -3.679 1.00 0.00 N ATOM 920 CA LYS A 236 -1.916 -5.058 -2.763 1.00 0.00 C ATOM 921 C LYS A 236 -1.685 -6.296 -1.903 1.00 0.00 C ATOM 922 O LYS A 236 -2.590 -7.107 -1.695 1.00 0.00 O ATOM 923 CB LYS A 236 -3.252 -5.143 -3.509 1.00 0.00 C ATOM 924 CG LYS A 236 -3.166 -5.743 -4.906 1.00 0.00 C ATOM 925 CD LYS A 236 -4.555 -5.957 -5.491 1.00 0.00 C ATOM 926 CE LYS A 236 -4.524 -6.118 -7.005 1.00 0.00 C ATOM 927 NZ LYS A 236 -3.539 -7.143 -7.453 1.00 0.00 N ATOM 0 H LYS A 236 -0.939 -5.273 -4.608 1.00 0.00 H new ATOM 0 HA LYS A 236 -1.968 -4.187 -2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.946 -5.738 -2.915 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -3.674 -4.141 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -2.591 -5.082 -5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.633 -6.693 -4.866 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -5.004 -6.843 -5.042 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -5.191 -5.111 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -5.517 -6.396 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -4.280 -5.160 -7.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -3.663 -7.323 -8.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -2.574 -6.797 -7.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -3.691 -8.025 -6.924 1.00 0.00 H new