USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=13 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 211 ASN : amide:sc= -0.538! X(o=0.71!,f=1.1) USER MOD Set 1.2: A 227 TYR OH : rot -68:sc= 1.25 USER MOD Set 2.1: A 186 MET CE :methyl -131:sc= -2.57! (180deg=-3.44) USER MOD Set 2.2: A 234 THR OG1 : rot 105:sc= 0.489 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 X(o=0,f=-0.0033) USER MOD Single : A 203 GLN : amide:sc= -0.39 K(o=-0.39,f=-2.5!) USER MOD Single : A 205 TYR OH : rot -77:sc= 1.63 USER MOD Single : A 210 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 HIS :FLIP no HD1:sc= -0.509 F(o=-1.3,f=-0.51) USER MOD Single : A 221 LYS NZ :NH3+ -158:sc= 1.32 (180deg=1.23) 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 230 SER OG : rot 148:sc= 0.306 USER MOD Single : A 231 ASN : amide:sc= -0.101 X(o=-0.1,f=-0.11) USER MOD Single : A 232 TYR OH : rot 180:sc= 0 USER MOD Single : A 236 LYS NZ :NH3+ -115:sc= 0.9 (180deg=-0.364) USER MOD ----------------------------------------------------------------- ATOM 36 N ILE A 182 -3.642 0.540 -5.258 1.00 0.00 N ATOM 37 CA ILE A 182 -2.964 0.826 -4.008 1.00 0.00 C ATOM 38 C ILE A 182 -1.703 -0.009 -3.843 1.00 0.00 C ATOM 39 O ILE A 182 -1.595 -1.116 -4.369 1.00 0.00 O ATOM 40 CB ILE A 182 -3.871 0.592 -2.780 1.00 0.00 C ATOM 41 CG1 ILE A 182 -4.421 -0.833 -2.768 1.00 0.00 C ATOM 42 CG2 ILE A 182 -5.007 1.600 -2.758 1.00 0.00 C ATOM 43 CD1 ILE A 182 -5.033 -1.226 -1.439 1.00 0.00 C ATOM 0 HA ILE A 182 -2.698 1.882 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 182 -3.267 0.729 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -5.174 -0.932 -3.550 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -3.617 -1.528 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -5.636 1.420 -1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -4.597 2.609 -2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -5.604 1.495 -3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -5.404 -2.249 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -4.277 -1.159 -0.656 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -5.858 -0.553 -1.205 1.00 0.00 H new ATOM 55 N VAL A 183 -0.770 0.529 -3.076 1.00 0.00 N ATOM 56 CA VAL A 183 0.483 -0.140 -2.769 1.00 0.00 C ATOM 57 C VAL A 183 0.817 0.140 -1.306 1.00 0.00 C ATOM 58 O VAL A 183 0.937 1.295 -0.897 1.00 0.00 O ATOM 59 CB VAL A 183 1.663 0.316 -3.683 1.00 0.00 C ATOM 60 CG1 VAL A 183 1.388 0.007 -5.142 1.00 0.00 C ATOM 61 CG2 VAL A 183 1.966 1.796 -3.534 1.00 0.00 C ATOM 0 H VAL A 183 -0.861 1.449 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 183 0.355 -1.207 -2.953 1.00 0.00 H new ATOM 0 HB VAL A 183 2.535 -0.250 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 183 2.231 0.338 -5.749 1.00 0.00 H new ATOM 0 HG12 VAL A 183 1.251 -1.067 -5.267 1.00 0.00 H new ATOM 0 HG13 VAL A 183 0.485 0.528 -5.460 1.00 0.00 H new ATOM 0 HG21 VAL A 183 2.794 2.066 -4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 183 1.084 2.377 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 183 2.237 2.010 -2.500 1.00 0.00 H new ATOM 71 N VAL A 184 0.946 -0.899 -0.510 1.00 0.00 N ATOM 72 CA VAL A 184 1.253 -0.709 0.894 1.00 0.00 C ATOM 73 C VAL A 184 2.756 -0.549 1.037 1.00 0.00 C ATOM 74 O VAL A 184 3.493 -1.033 0.200 1.00 0.00 O ATOM 75 CB VAL A 184 0.770 -1.906 1.745 1.00 0.00 C ATOM 76 CG1 VAL A 184 0.607 -1.504 3.200 1.00 0.00 C ATOM 77 CG2 VAL A 184 -0.539 -2.460 1.204 1.00 0.00 C ATOM 0 H VAL A 184 0.845 -1.871 -0.803 1.00 0.00 H new ATOM 0 HA VAL A 184 0.735 0.180 1.254 1.00 0.00 H new ATOM 0 HB VAL A 184 1.528 -2.687 1.685 1.00 0.00 H new ATOM 0 HG11 VAL A 184 0.266 -2.363 3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 184 1.564 -1.159 3.592 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -0.127 -0.701 3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -0.860 -3.301 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -1.301 -1.681 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -0.395 -2.795 0.177 1.00 0.00 H new ATOM 87 N ALA A 185 3.222 0.128 2.072 1.00 0.00 N ATOM 88 CA ALA A 185 4.655 0.300 2.251 1.00 0.00 C ATOM 89 C ALA A 185 5.192 -0.817 3.133 1.00 0.00 C ATOM 90 O ALA A 185 4.483 -1.312 4.011 1.00 0.00 O ATOM 91 CB ALA A 185 4.963 1.660 2.844 1.00 0.00 C ATOM 0 H ALA A 185 2.642 0.561 2.790 1.00 0.00 H new ATOM 0 HA ALA A 185 5.147 0.249 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 185 6.041 1.767 2.969 1.00 0.00 H new ATOM 0 HB2 ALA A 185 4.596 2.440 2.176 1.00 0.00 H new ATOM 0 HB3 ALA A 185 4.474 1.753 3.814 1.00 0.00 H new ATOM 97 N MET A 186 6.425 -1.242 2.885 1.00 0.00 N ATOM 98 CA MET A 186 7.015 -2.328 3.653 1.00 0.00 C ATOM 99 C MET A 186 8.145 -1.830 4.551 1.00 0.00 C ATOM 100 O MET A 186 8.127 -2.046 5.764 1.00 0.00 O ATOM 101 CB MET A 186 7.526 -3.411 2.698 1.00 0.00 C ATOM 102 CG MET A 186 7.799 -4.738 3.374 1.00 0.00 C ATOM 103 SD MET A 186 8.381 -6.003 2.227 1.00 0.00 S ATOM 104 CE MET A 186 6.972 -6.140 1.122 1.00 0.00 C ATOM 0 H MET A 186 7.031 -0.853 2.163 1.00 0.00 H new ATOM 0 HA MET A 186 6.246 -2.749 4.301 1.00 0.00 H new ATOM 0 HB2 MET A 186 6.792 -3.561 1.906 1.00 0.00 H new ATOM 0 HB3 MET A 186 8.442 -3.061 2.222 1.00 0.00 H new ATOM 0 HG2 MET A 186 8.543 -4.595 4.157 1.00 0.00 H new ATOM 0 HG3 MET A 186 6.888 -5.087 3.860 1.00 0.00 H new ATOM 0 HE1 MET A 186 6.709 -7.190 0.997 1.00 0.00 H new ATOM 0 HE2 MET A 186 6.124 -5.601 1.545 1.00 0.00 H new ATOM 0 HE3 MET A 186 7.227 -5.712 0.153 1.00 0.00 H new ATOM 114 N TYR A 187 9.128 -1.167 3.957 1.00 0.00 N ATOM 115 CA TYR A 187 10.262 -0.651 4.720 1.00 0.00 C ATOM 116 C TYR A 187 10.170 0.856 4.898 1.00 0.00 C ATOM 117 O TYR A 187 9.364 1.522 4.249 1.00 0.00 O ATOM 118 CB TYR A 187 11.595 -1.021 4.064 1.00 0.00 C ATOM 119 CG TYR A 187 11.973 -2.475 4.228 1.00 0.00 C ATOM 120 CD1 TYR A 187 11.294 -3.471 3.544 1.00 0.00 C ATOM 121 CD2 TYR A 187 13.003 -2.847 5.082 1.00 0.00 C ATOM 122 CE1 TYR A 187 11.630 -4.800 3.705 1.00 0.00 C ATOM 123 CE2 TYR A 187 13.347 -4.172 5.246 1.00 0.00 C ATOM 124 CZ TYR A 187 12.658 -5.143 4.556 1.00 0.00 C ATOM 125 OH TYR A 187 12.994 -6.465 4.723 1.00 0.00 O ATOM 0 H TYR A 187 9.166 -0.973 2.956 1.00 0.00 H new ATOM 0 HA TYR A 187 10.222 -1.119 5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 187 11.543 -0.786 3.001 1.00 0.00 H new ATOM 0 HB3 TYR A 187 12.383 -0.400 4.490 1.00 0.00 H new ATOM 0 HD1 TYR A 187 10.490 -3.203 2.875 1.00 0.00 H new ATOM 0 HD2 TYR A 187 13.543 -2.086 5.626 1.00 0.00 H new ATOM 0 HE1 TYR A 187 11.091 -5.566 3.168 1.00 0.00 H new ATOM 0 HE2 TYR A 187 14.152 -4.446 5.912 1.00 0.00 H new ATOM 0 HH TYR A 187 13.740 -6.536 5.355 1.00 0.00 H new ATOM 135 N ASP A 188 11.004 1.377 5.792 1.00 0.00 N ATOM 136 CA ASP A 188 11.034 2.806 6.091 1.00 0.00 C ATOM 137 C ASP A 188 11.876 3.574 5.091 1.00 0.00 C ATOM 138 O ASP A 188 12.990 3.164 4.758 1.00 0.00 O ATOM 139 CB ASP A 188 11.610 3.070 7.488 1.00 0.00 C ATOM 140 CG ASP A 188 10.707 2.640 8.614 1.00 0.00 C ATOM 141 OD1 ASP A 188 9.587 2.188 8.335 1.00 0.00 O ATOM 142 OD2 ASP A 188 11.128 2.752 9.783 1.00 0.00 O ATOM 0 H ASP A 188 11.675 0.825 6.327 1.00 0.00 H new ATOM 0 HA ASP A 188 10.000 3.147 6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 188 12.563 2.549 7.581 1.00 0.00 H new ATOM 0 HB3 ASP A 188 11.818 4.135 7.589 1.00 0.00 H new ATOM 147 N PHE A 189 11.358 4.708 4.648 1.00 0.00 N ATOM 148 CA PHE A 189 12.082 5.565 3.717 1.00 0.00 C ATOM 149 C PHE A 189 11.761 7.023 4.004 1.00 0.00 C ATOM 150 O PHE A 189 10.601 7.381 4.234 1.00 0.00 O ATOM 151 CB PHE A 189 11.735 5.231 2.261 1.00 0.00 C ATOM 152 CG PHE A 189 12.531 6.009 1.254 1.00 0.00 C ATOM 153 CD1 PHE A 189 13.877 5.747 1.063 1.00 0.00 C ATOM 154 CD2 PHE A 189 11.932 7.007 0.504 1.00 0.00 C ATOM 155 CE1 PHE A 189 14.611 6.468 0.140 1.00 0.00 C ATOM 156 CE2 PHE A 189 12.658 7.729 -0.420 1.00 0.00 C ATOM 157 CZ PHE A 189 14.000 7.461 -0.601 1.00 0.00 C ATOM 0 H PHE A 189 10.439 5.059 4.917 1.00 0.00 H new ATOM 0 HA PHE A 189 13.149 5.390 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 189 11.897 4.166 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 189 10.674 5.422 2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 189 14.358 4.972 1.641 1.00 0.00 H new ATOM 0 HD2 PHE A 189 10.883 7.223 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 189 15.660 6.255 -0.002 1.00 0.00 H new ATOM 0 HE2 PHE A 189 12.178 8.502 -1.001 1.00 0.00 H new ATOM 0 HZ PHE A 189 14.572 8.027 -1.321 1.00 0.00 H new ATOM 167 N GLN A 190 12.788 7.858 3.991 1.00 0.00 N ATOM 168 CA GLN A 190 12.622 9.278 4.248 1.00 0.00 C ATOM 169 C GLN A 190 12.870 10.081 2.976 1.00 0.00 C ATOM 170 O GLN A 190 13.815 9.798 2.238 1.00 0.00 O ATOM 171 CB GLN A 190 13.584 9.733 5.350 1.00 0.00 C ATOM 172 CG GLN A 190 13.478 11.212 5.675 1.00 0.00 C ATOM 173 CD GLN A 190 14.416 11.638 6.783 1.00 0.00 C ATOM 174 OE1 GLN A 190 15.640 11.561 6.644 1.00 0.00 O ATOM 175 NE2 GLN A 190 13.852 12.093 7.891 1.00 0.00 N ATOM 0 H GLN A 190 13.750 7.574 3.804 1.00 0.00 H new ATOM 0 HA GLN A 190 11.598 9.452 4.578 1.00 0.00 H new ATOM 0 HB2 GLN A 190 13.388 9.156 6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 190 14.606 9.509 5.044 1.00 0.00 H new ATOM 0 HG2 GLN A 190 13.695 11.793 4.778 1.00 0.00 H new ATOM 0 HG3 GLN A 190 12.453 11.443 5.964 1.00 0.00 H new ATOM 0 HE21 GLN A 190 12.836 12.140 7.964 1.00 0.00 H new ATOM 0 HE22 GLN A 190 14.434 12.397 8.672 1.00 0.00 H new ATOM 184 N ALA A 191 12.040 11.094 2.735 1.00 0.00 N ATOM 185 CA ALA A 191 12.201 11.937 1.559 1.00 0.00 C ATOM 186 C ALA A 191 13.364 12.885 1.762 1.00 0.00 C ATOM 187 O ALA A 191 13.401 13.639 2.737 1.00 0.00 O ATOM 188 CB ALA A 191 10.928 12.719 1.256 1.00 0.00 C ATOM 0 H ALA A 191 11.255 11.347 3.336 1.00 0.00 H new ATOM 0 HA ALA A 191 12.405 11.293 0.704 1.00 0.00 H new ATOM 0 HB1 ALA A 191 11.083 13.338 0.372 1.00 0.00 H new ATOM 0 HB2 ALA A 191 10.109 12.024 1.073 1.00 0.00 H new ATOM 0 HB3 ALA A 191 10.681 13.355 2.106 1.00 0.00 H new ATOM 194 N THR A 192 14.312 12.847 0.845 1.00 0.00 N ATOM 195 CA THR A 192 15.475 13.707 0.936 1.00 0.00 C ATOM 196 C THR A 192 15.136 15.104 0.419 1.00 0.00 C ATOM 197 O THR A 192 15.710 16.103 0.865 1.00 0.00 O ATOM 198 CB THR A 192 16.653 13.096 0.160 1.00 0.00 C ATOM 199 OG1 THR A 192 17.807 13.905 0.277 1.00 0.00 O ATOM 200 CG2 THR A 192 16.381 12.897 -1.315 1.00 0.00 C ATOM 0 H THR A 192 14.299 12.232 0.031 1.00 0.00 H new ATOM 0 HA THR A 192 15.773 13.795 1.981 1.00 0.00 H new ATOM 0 HB THR A 192 16.805 12.116 0.613 1.00 0.00 H new ATOM 0 HG1 THR A 192 18.545 13.497 -0.223 1.00 0.00 H new ATOM 0 HG21 THR A 192 17.260 12.462 -1.792 1.00 0.00 H new ATOM 0 HG22 THR A 192 15.531 12.227 -1.441 1.00 0.00 H new ATOM 0 HG23 THR A 192 16.156 13.859 -1.777 1.00 0.00 H new ATOM 208 N GLU A 193 14.187 15.171 -0.510 1.00 0.00 N ATOM 209 CA GLU A 193 13.764 16.445 -1.078 1.00 0.00 C ATOM 210 C GLU A 193 12.243 16.556 -1.101 1.00 0.00 C ATOM 211 O GLU A 193 11.614 16.886 -0.095 1.00 0.00 O ATOM 212 CB GLU A 193 14.319 16.609 -2.497 1.00 0.00 C ATOM 213 CG GLU A 193 15.832 16.700 -2.558 1.00 0.00 C ATOM 214 CD GLU A 193 16.332 16.953 -3.960 1.00 0.00 C ATOM 215 OE1 GLU A 193 15.870 17.925 -4.589 1.00 0.00 O ATOM 216 OE2 GLU A 193 17.198 16.188 -4.430 1.00 0.00 O ATOM 0 H GLU A 193 13.697 14.358 -0.885 1.00 0.00 H new ATOM 0 HA GLU A 193 14.159 17.240 -0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 193 13.991 15.766 -3.105 1.00 0.00 H new ATOM 0 HB3 GLU A 193 13.892 17.508 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 193 16.173 17.501 -1.902 1.00 0.00 H new ATOM 0 HG3 GLU A 193 16.266 15.774 -2.181 1.00 0.00 H new ATOM 223 N ALA A 194 11.670 16.270 -2.260 1.00 0.00 N ATOM 224 CA ALA A 194 10.228 16.324 -2.456 1.00 0.00 C ATOM 225 C ALA A 194 9.828 15.451 -3.637 1.00 0.00 C ATOM 226 O ALA A 194 8.653 15.132 -3.820 1.00 0.00 O ATOM 227 CB ALA A 194 9.773 17.757 -2.683 1.00 0.00 C ATOM 0 H ALA A 194 12.191 15.994 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 194 9.741 15.947 -1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 194 8.693 17.777 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 194 10.035 18.363 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 194 10.265 18.159 -3.569 1.00 0.00 H new ATOM 233 N HIS A 195 10.825 15.066 -4.431 1.00 0.00 N ATOM 234 CA HIS A 195 10.600 14.216 -5.593 1.00 0.00 C ATOM 235 C HIS A 195 10.245 12.811 -5.125 1.00 0.00 C ATOM 236 O HIS A 195 9.531 12.071 -5.801 1.00 0.00 O ATOM 237 CB HIS A 195 11.858 14.170 -6.471 1.00 0.00 C ATOM 238 CG HIS A 195 11.635 13.548 -7.817 1.00 0.00 C ATOM 239 ND1 HIS A 195 10.823 14.107 -8.778 1.00 0.00 N ATOM 240 CD2 HIS A 195 12.120 12.403 -8.357 1.00 0.00 C ATOM 241 CE1 HIS A 195 10.815 13.334 -9.849 1.00 0.00 C ATOM 242 NE2 HIS A 195 11.596 12.292 -9.621 1.00 0.00 N ATOM 0 H HIS A 195 11.799 15.332 -4.288 1.00 0.00 H new ATOM 0 HA HIS A 195 9.780 14.625 -6.183 1.00 0.00 H new ATOM 0 HB2 HIS A 195 12.232 15.185 -6.608 1.00 0.00 H new ATOM 0 HB3 HIS A 195 12.635 13.612 -5.948 1.00 0.00 H new ATOM 0 HD2 HIS A 195 12.794 11.707 -7.881 1.00 0.00 H new ATOM 0 HE1 HIS A 195 10.263 13.522 -10.758 1.00 0.00 H new ATOM 0 HE2 HIS A 195 11.779 11.532 -10.276 1.00 0.00 H new ATOM 251 N ASP A 196 10.745 12.475 -3.945 1.00 0.00 N ATOM 252 CA ASP A 196 10.501 11.187 -3.326 1.00 0.00 C ATOM 253 C ASP A 196 9.459 11.330 -2.221 1.00 0.00 C ATOM 254 O ASP A 196 9.197 12.436 -1.746 1.00 0.00 O ATOM 255 CB ASP A 196 11.808 10.594 -2.762 1.00 0.00 C ATOM 256 CG ASP A 196 12.652 11.573 -1.949 1.00 0.00 C ATOM 257 OD1 ASP A 196 12.318 12.777 -1.886 1.00 0.00 O ATOM 258 OD2 ASP A 196 13.680 11.137 -1.399 1.00 0.00 O ATOM 0 H ASP A 196 11.335 13.094 -3.389 1.00 0.00 H new ATOM 0 HA ASP A 196 10.120 10.503 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 196 11.562 9.738 -2.133 1.00 0.00 H new ATOM 0 HB3 ASP A 196 12.408 10.218 -3.591 1.00 0.00 H new ATOM 263 N LEU A 197 8.861 10.219 -1.811 1.00 0.00 N ATOM 264 CA LEU A 197 7.853 10.258 -0.758 1.00 0.00 C ATOM 265 C LEU A 197 8.288 9.464 0.464 1.00 0.00 C ATOM 266 O LEU A 197 9.331 8.815 0.467 1.00 0.00 O ATOM 267 CB LEU A 197 6.502 9.730 -1.254 1.00 0.00 C ATOM 268 CG LEU A 197 5.548 10.782 -1.817 1.00 0.00 C ATOM 269 CD1 LEU A 197 4.145 10.205 -1.918 1.00 0.00 C ATOM 270 CD2 LEU A 197 5.542 12.025 -0.941 1.00 0.00 C ATOM 0 H LEU A 197 9.053 9.290 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 197 7.741 11.304 -0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 197 6.686 8.982 -2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 197 6.006 9.221 -0.428 1.00 0.00 H new ATOM 0 HG LEU A 197 5.890 11.066 -2.812 1.00 0.00 H new ATOM 0 HD11 LEU A 197 3.469 10.960 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 197 4.155 9.338 -2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 197 3.804 9.903 -0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 197 4.856 12.762 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 197 5.219 11.759 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 197 6.546 12.446 -0.900 1.00 0.00 H new ATOM 282 N ARG A 198 7.465 9.521 1.497 1.00 0.00 N ATOM 283 CA ARG A 198 7.729 8.820 2.742 1.00 0.00 C ATOM 284 C ARG A 198 7.200 7.394 2.702 1.00 0.00 C ATOM 285 O ARG A 198 6.100 7.147 2.218 1.00 0.00 O ATOM 286 CB ARG A 198 7.074 9.569 3.901 1.00 0.00 C ATOM 287 CG ARG A 198 7.867 10.766 4.378 1.00 0.00 C ATOM 288 CD ARG A 198 9.197 10.332 4.977 1.00 0.00 C ATOM 289 NE ARG A 198 9.056 9.198 5.901 1.00 0.00 N ATOM 290 CZ ARG A 198 8.421 9.250 7.080 1.00 0.00 C ATOM 291 NH1 ARG A 198 7.908 10.391 7.519 1.00 0.00 N ATOM 292 NH2 ARG A 198 8.310 8.156 7.822 1.00 0.00 N ATOM 0 H ARG A 198 6.595 10.054 1.496 1.00 0.00 H new ATOM 0 HA ARG A 198 8.809 8.780 2.882 1.00 0.00 H new ATOM 0 HB2 ARG A 198 6.082 9.901 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 198 6.935 8.881 4.735 1.00 0.00 H new ATOM 0 HG2 ARG A 198 8.043 11.446 3.545 1.00 0.00 H new ATOM 0 HG3 ARG A 198 7.291 11.316 5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 198 9.881 10.059 4.174 1.00 0.00 H new ATOM 0 HD3 ARG A 198 9.645 11.173 5.506 1.00 0.00 H new ATOM 0 HE ARG A 198 9.471 8.308 5.625 1.00 0.00 H new ATOM 0 HH11 ARG A 198 7.995 11.239 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 198 7.426 10.421 8.418 1.00 0.00 H new ATOM 0 HH21 ARG A 198 8.708 7.276 7.495 1.00 0.00 H new ATOM 0 HH22 ARG A 198 7.827 8.195 8.719 1.00 0.00 H new ATOM 306 N LEU A 199 7.978 6.469 3.241 1.00 0.00 N ATOM 307 CA LEU A 199 7.577 5.068 3.297 1.00 0.00 C ATOM 308 C LEU A 199 7.309 4.681 4.743 1.00 0.00 C ATOM 309 O LEU A 199 8.249 4.571 5.538 1.00 0.00 O ATOM 310 CB LEU A 199 8.658 4.151 2.700 1.00 0.00 C ATOM 311 CG LEU A 199 8.606 3.944 1.179 1.00 0.00 C ATOM 312 CD1 LEU A 199 7.342 3.193 0.791 1.00 0.00 C ATOM 313 CD2 LEU A 199 8.688 5.269 0.435 1.00 0.00 C ATOM 0 H LEU A 199 8.893 6.662 3.648 1.00 0.00 H new ATOM 0 HA LEU A 199 6.671 4.944 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 199 9.635 4.560 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 199 8.584 3.176 3.181 1.00 0.00 H new ATOM 0 HG LEU A 199 9.472 3.348 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 199 7.319 3.054 -0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 199 7.331 2.220 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 199 6.468 3.766 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 199 8.649 5.086 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 199 7.850 5.902 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 199 9.624 5.769 0.684 1.00 0.00 H new ATOM 325 N GLU A 200 6.032 4.497 5.075 1.00 0.00 N ATOM 326 CA GLU A 200 5.623 4.137 6.431 1.00 0.00 C ATOM 327 C GLU A 200 5.196 2.679 6.505 1.00 0.00 C ATOM 328 O GLU A 200 4.480 2.195 5.636 1.00 0.00 O ATOM 329 CB GLU A 200 4.465 5.027 6.890 1.00 0.00 C ATOM 330 CG GLU A 200 4.829 6.017 7.985 1.00 0.00 C ATOM 331 CD GLU A 200 5.264 5.330 9.259 1.00 0.00 C ATOM 332 OE1 GLU A 200 6.335 4.693 9.261 1.00 0.00 O ATOM 333 OE2 GLU A 200 4.528 5.412 10.258 1.00 0.00 O ATOM 0 H GLU A 200 5.258 4.592 4.418 1.00 0.00 H new ATOM 0 HA GLU A 200 6.481 4.285 7.087 1.00 0.00 H new ATOM 0 HB2 GLU A 200 4.084 5.579 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 200 3.654 4.392 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 200 5.631 6.666 7.633 1.00 0.00 H new ATOM 0 HG3 GLU A 200 3.971 6.656 8.194 1.00 0.00 H new ATOM 340 N ARG A 201 5.634 1.985 7.547 1.00 0.00 N ATOM 341 CA ARG A 201 5.298 0.573 7.735 1.00 0.00 C ATOM 342 C ARG A 201 3.792 0.363 7.899 1.00 0.00 C ATOM 343 O ARG A 201 3.264 0.455 9.007 1.00 0.00 O ATOM 344 CB ARG A 201 6.013 0.019 8.965 1.00 0.00 C ATOM 345 CG ARG A 201 7.525 0.040 8.866 1.00 0.00 C ATOM 346 CD ARG A 201 8.150 -0.438 10.164 1.00 0.00 C ATOM 347 NE ARG A 201 7.726 0.376 11.305 1.00 0.00 N ATOM 348 CZ ARG A 201 7.910 0.028 12.579 1.00 0.00 C ATOM 349 NH1 ARG A 201 8.550 -1.095 12.878 1.00 0.00 N ATOM 350 NH2 ARG A 201 7.498 0.837 13.545 1.00 0.00 N ATOM 0 H ARG A 201 6.226 2.376 8.280 1.00 0.00 H new ATOM 0 HA ARG A 201 5.625 0.043 6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 201 5.709 0.596 9.839 1.00 0.00 H new ATOM 0 HB3 ARG A 201 5.685 -1.007 9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 201 7.850 -0.596 8.043 1.00 0.00 H new ATOM 0 HG3 ARG A 201 7.867 1.051 8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 201 7.875 -1.478 10.338 1.00 0.00 H new ATOM 0 HD3 ARG A 201 9.236 -0.405 10.078 1.00 0.00 H new ATOM 0 HE ARG A 201 7.261 1.264 11.113 1.00 0.00 H new ATOM 0 HH11 ARG A 201 8.903 -1.695 12.132 1.00 0.00 H new ATOM 0 HH12 ARG A 201 8.689 -1.358 13.854 1.00 0.00 H new ATOM 0 HH21 ARG A 201 7.043 1.720 13.312 1.00 0.00 H new ATOM 0 HH22 ARG A 201 7.636 0.577 14.522 1.00 0.00 H new ATOM 364 N GLY A 202 3.104 0.063 6.805 1.00 0.00 N ATOM 365 CA GLY A 202 1.671 -0.168 6.876 1.00 0.00 C ATOM 366 C GLY A 202 0.853 0.902 6.179 1.00 0.00 C ATOM 367 O GLY A 202 -0.377 0.868 6.216 1.00 0.00 O ATOM 0 H GLY A 202 3.509 -0.025 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 202 1.444 -1.136 6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 202 1.370 -0.221 7.922 1.00 0.00 H new ATOM 371 N GLN A 203 1.520 1.856 5.545 1.00 0.00 N ATOM 372 CA GLN A 203 0.821 2.931 4.846 1.00 0.00 C ATOM 373 C GLN A 203 0.457 2.499 3.431 1.00 0.00 C ATOM 374 O GLN A 203 1.281 1.926 2.723 1.00 0.00 O ATOM 375 CB GLN A 203 1.692 4.187 4.793 1.00 0.00 C ATOM 376 CG GLN A 203 0.931 5.467 4.472 1.00 0.00 C ATOM 377 CD GLN A 203 0.101 5.966 5.636 1.00 0.00 C ATOM 378 OE1 GLN A 203 -0.831 5.297 6.081 1.00 0.00 O ATOM 379 NE2 GLN A 203 0.441 7.142 6.139 1.00 0.00 N ATOM 0 H GLN A 203 2.538 1.910 5.499 1.00 0.00 H new ATOM 0 HA GLN A 203 -0.094 3.155 5.394 1.00 0.00 H new ATOM 0 HB2 GLN A 203 2.193 4.308 5.753 1.00 0.00 H new ATOM 0 HB3 GLN A 203 2.470 4.044 4.043 1.00 0.00 H new ATOM 0 HG2 GLN A 203 1.640 6.242 4.179 1.00 0.00 H new ATOM 0 HG3 GLN A 203 0.279 5.291 3.616 1.00 0.00 H new ATOM 0 HE21 GLN A 203 1.221 7.662 5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 203 -0.077 7.528 6.928 1.00 0.00 H new ATOM 388 N GLU A 204 -0.771 2.778 3.016 1.00 0.00 N ATOM 389 CA GLU A 204 -1.220 2.415 1.679 1.00 0.00 C ATOM 390 C GLU A 204 -1.241 3.636 0.767 1.00 0.00 C ATOM 391 O GLU A 204 -1.842 4.662 1.097 1.00 0.00 O ATOM 392 CB GLU A 204 -2.603 1.771 1.736 1.00 0.00 C ATOM 393 CG GLU A 204 -2.631 0.468 2.512 1.00 0.00 C ATOM 394 CD GLU A 204 -4.004 -0.155 2.534 1.00 0.00 C ATOM 395 OE1 GLU A 204 -4.943 0.464 1.997 1.00 0.00 O ATOM 396 OE2 GLU A 204 -4.144 -1.258 3.097 1.00 0.00 O ATOM 0 H GLU A 204 -1.472 3.253 3.584 1.00 0.00 H new ATOM 0 HA GLU A 204 -0.516 1.691 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 204 -3.303 2.471 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 204 -2.952 1.587 0.720 1.00 0.00 H new ATOM 0 HG2 GLU A 204 -1.924 -0.232 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 204 -2.300 0.649 3.535 1.00 0.00 H new ATOM 403 N TYR A 205 -0.572 3.517 -0.367 1.00 0.00 N ATOM 404 CA TYR A 205 -0.488 4.605 -1.335 1.00 0.00 C ATOM 405 C TYR A 205 -1.221 4.252 -2.612 1.00 0.00 C ATOM 406 O TYR A 205 -1.650 3.120 -2.793 1.00 0.00 O ATOM 407 CB TYR A 205 0.972 4.898 -1.668 1.00 0.00 C ATOM 408 CG TYR A 205 1.841 5.055 -0.454 1.00 0.00 C ATOM 409 CD1 TYR A 205 1.645 6.104 0.430 1.00 0.00 C ATOM 410 CD2 TYR A 205 2.851 4.145 -0.185 1.00 0.00 C ATOM 411 CE1 TYR A 205 2.434 6.245 1.548 1.00 0.00 C ATOM 412 CE2 TYR A 205 3.645 4.276 0.933 1.00 0.00 C ATOM 413 CZ TYR A 205 3.434 5.327 1.797 1.00 0.00 C ATOM 414 OH TYR A 205 4.227 5.462 2.911 1.00 0.00 O ATOM 0 H TYR A 205 -0.074 2.671 -0.644 1.00 0.00 H new ATOM 0 HA TYR A 205 -0.952 5.485 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 205 1.365 4.090 -2.285 1.00 0.00 H new ATOM 0 HB3 TYR A 205 1.025 5.809 -2.264 1.00 0.00 H new ATOM 0 HD1 TYR A 205 0.861 6.822 0.238 1.00 0.00 H new ATOM 0 HD2 TYR A 205 3.018 3.321 -0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 205 2.272 7.069 2.227 1.00 0.00 H new ATOM 0 HE2 TYR A 205 4.428 3.559 1.131 1.00 0.00 H new ATOM 0 HH TYR A 205 4.889 6.168 2.757 1.00 0.00 H new ATOM 424 N ILE A 206 -1.346 5.225 -3.499 1.00 0.00 N ATOM 425 CA ILE A 206 -2.017 5.022 -4.773 1.00 0.00 C ATOM 426 C ILE A 206 -1.056 5.385 -5.897 1.00 0.00 C ATOM 427 O ILE A 206 -0.842 6.562 -6.174 1.00 0.00 O ATOM 428 CB ILE A 206 -3.294 5.891 -4.913 1.00 0.00 C ATOM 429 CG1 ILE A 206 -4.126 5.888 -3.625 1.00 0.00 C ATOM 430 CG2 ILE A 206 -4.144 5.410 -6.080 1.00 0.00 C ATOM 431 CD1 ILE A 206 -3.643 6.870 -2.574 1.00 0.00 C ATOM 0 H ILE A 206 -0.989 6.170 -3.359 1.00 0.00 H new ATOM 0 HA ILE A 206 -2.317 3.976 -4.826 1.00 0.00 H new ATOM 0 HB ILE A 206 -2.970 6.914 -5.103 1.00 0.00 H new ATOM 0 HG12 ILE A 206 -5.162 6.119 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 206 -4.116 4.884 -3.201 1.00 0.00 H new ATOM 0 HG21 ILE A 206 -5.035 6.032 -6.162 1.00 0.00 H new ATOM 0 HG22 ILE A 206 -3.568 5.479 -7.003 1.00 0.00 H new ATOM 0 HG23 ILE A 206 -4.439 4.374 -5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 206 -4.284 6.806 -1.695 1.00 0.00 H new ATOM 0 HD12 ILE A 206 -2.618 6.628 -2.294 1.00 0.00 H new ATOM 0 HD13 ILE A 206 -3.680 7.882 -2.977 1.00 0.00 H new ATOM 443 N ILE A 207 -0.455 4.384 -6.518 1.00 0.00 N ATOM 444 CA ILE A 207 0.513 4.620 -7.581 1.00 0.00 C ATOM 445 C ILE A 207 -0.122 5.241 -8.829 1.00 0.00 C ATOM 446 O ILE A 207 -1.005 4.659 -9.461 1.00 0.00 O ATOM 447 CB ILE A 207 1.279 3.311 -7.921 1.00 0.00 C ATOM 448 CG1 ILE A 207 2.106 3.443 -9.215 1.00 0.00 C ATOM 449 CG2 ILE A 207 0.319 2.128 -7.999 1.00 0.00 C ATOM 450 CD1 ILE A 207 1.435 2.888 -10.456 1.00 0.00 C ATOM 0 H ILE A 207 -0.619 3.400 -6.306 1.00 0.00 H new ATOM 0 HA ILE A 207 1.230 5.352 -7.209 1.00 0.00 H new ATOM 0 HB ILE A 207 1.985 3.127 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 207 2.330 4.497 -9.381 1.00 0.00 H new ATOM 0 HG13 ILE A 207 3.059 2.932 -9.075 1.00 0.00 H new ATOM 0 HG21 ILE A 207 0.876 1.222 -8.238 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -0.183 2.003 -7.039 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -0.424 2.313 -8.775 1.00 0.00 H new ATOM 0 HD11 ILE A 207 2.090 3.025 -11.316 1.00 0.00 H new ATOM 0 HD12 ILE A 207 1.235 1.825 -10.317 1.00 0.00 H new ATOM 0 HD13 ILE A 207 0.496 3.414 -10.628 1.00 0.00 H new ATOM 462 N LEU A 208 0.361 6.434 -9.184 1.00 0.00 N ATOM 463 CA LEU A 208 -0.124 7.142 -10.363 1.00 0.00 C ATOM 464 C LEU A 208 0.578 6.598 -11.595 1.00 0.00 C ATOM 465 O LEU A 208 -0.056 6.181 -12.563 1.00 0.00 O ATOM 466 CB LEU A 208 0.143 8.663 -10.307 1.00 0.00 C ATOM 467 CG LEU A 208 -0.184 9.412 -9.009 1.00 0.00 C ATOM 468 CD1 LEU A 208 -1.467 8.898 -8.382 1.00 0.00 C ATOM 469 CD2 LEU A 208 0.964 9.308 -8.026 1.00 0.00 C ATOM 0 H LEU A 208 1.089 6.928 -8.668 1.00 0.00 H new ATOM 0 HA LEU A 208 -1.202 6.985 -10.400 1.00 0.00 H new ATOM 0 HB2 LEU A 208 1.199 8.823 -10.526 1.00 0.00 H new ATOM 0 HB3 LEU A 208 -0.424 9.130 -11.112 1.00 0.00 H new ATOM 0 HG LEU A 208 -0.331 10.462 -9.262 1.00 0.00 H new ATOM 0 HD11 LEU A 208 -1.670 9.450 -7.464 1.00 0.00 H new ATOM 0 HD12 LEU A 208 -2.294 9.037 -9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 208 -1.360 7.838 -8.152 1.00 0.00 H new ATOM 0 HD21 LEU A 208 0.711 9.846 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 208 1.147 8.260 -7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 208 1.861 9.743 -8.467 1.00 0.00 H new ATOM 481 N GLU A 209 1.906 6.622 -11.542 1.00 0.00 N ATOM 482 CA GLU A 209 2.734 6.150 -12.641 1.00 0.00 C ATOM 483 C GLU A 209 3.698 5.075 -12.168 1.00 0.00 C ATOM 484 O GLU A 209 4.275 5.177 -11.086 1.00 0.00 O ATOM 485 CB GLU A 209 3.521 7.311 -13.258 1.00 0.00 C ATOM 486 CG GLU A 209 2.660 8.295 -14.031 1.00 0.00 C ATOM 487 CD GLU A 209 2.140 7.708 -15.321 1.00 0.00 C ATOM 488 OE1 GLU A 209 2.966 7.320 -16.171 1.00 0.00 O ATOM 489 OE2 GLU A 209 0.912 7.644 -15.488 1.00 0.00 O ATOM 0 H GLU A 209 2.434 6.967 -10.740 1.00 0.00 H new ATOM 0 HA GLU A 209 2.075 5.723 -13.397 1.00 0.00 H new ATOM 0 HB2 GLU A 209 4.043 7.845 -12.465 1.00 0.00 H new ATOM 0 HB3 GLU A 209 4.282 6.907 -13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 209 1.819 8.605 -13.410 1.00 0.00 H new ATOM 0 HG3 GLU A 209 3.242 9.190 -14.250 1.00 0.00 H new ATOM 496 N LYS A 210 3.858 4.051 -12.990 1.00 0.00 N ATOM 497 CA LYS A 210 4.743 2.937 -12.686 1.00 0.00 C ATOM 498 C LYS A 210 6.198 3.316 -12.942 1.00 0.00 C ATOM 499 O LYS A 210 6.992 3.402 -12.010 1.00 0.00 O ATOM 500 CB LYS A 210 4.339 1.726 -13.532 1.00 0.00 C ATOM 501 CG LYS A 210 5.322 0.567 -13.494 1.00 0.00 C ATOM 502 CD LYS A 210 4.947 -0.483 -14.520 1.00 0.00 C ATOM 503 CE LYS A 210 6.054 -1.505 -14.707 1.00 0.00 C ATOM 504 NZ LYS A 210 5.774 -2.429 -15.841 1.00 0.00 N ATOM 0 H LYS A 210 3.379 3.968 -13.887 1.00 0.00 H new ATOM 0 HA LYS A 210 4.650 2.683 -11.630 1.00 0.00 H new ATOM 0 HB2 LYS A 210 3.366 1.371 -13.192 1.00 0.00 H new ATOM 0 HB3 LYS A 210 4.217 2.047 -14.566 1.00 0.00 H new ATOM 0 HG2 LYS A 210 6.330 0.931 -13.690 1.00 0.00 H new ATOM 0 HG3 LYS A 210 5.332 0.123 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 210 4.034 -0.989 -14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 210 4.732 -0.000 -15.473 1.00 0.00 H new ATOM 0 HE2 LYS A 210 6.998 -0.989 -14.884 1.00 0.00 H new ATOM 0 HE3 LYS A 210 6.173 -2.082 -13.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 210 6.554 -3.111 -15.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 210 4.887 -2.941 -15.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 210 5.685 -1.882 -16.721 1.00 0.00 H new ATOM 518 N ASN A 211 6.526 3.538 -14.217 1.00 0.00 N ATOM 519 CA ASN A 211 7.881 3.913 -14.636 1.00 0.00 C ATOM 520 C ASN A 211 8.863 2.764 -14.406 1.00 0.00 C ATOM 521 O ASN A 211 8.903 1.809 -15.186 1.00 0.00 O ATOM 522 CB ASN A 211 8.362 5.182 -13.909 1.00 0.00 C ATOM 523 CG ASN A 211 7.607 6.434 -14.319 1.00 0.00 C ATOM 524 OD1 ASN A 211 7.869 7.523 -13.803 1.00 0.00 O ATOM 525 ND2 ASN A 211 6.675 6.298 -15.253 1.00 0.00 N ATOM 0 H ASN A 211 5.862 3.463 -14.988 1.00 0.00 H new ATOM 0 HA ASN A 211 7.844 4.128 -15.704 1.00 0.00 H new ATOM 0 HB2 ASN A 211 8.256 5.038 -12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 211 9.424 5.325 -14.108 1.00 0.00 H new ATOM 0 HD21 ASN A 211 6.146 7.111 -15.568 1.00 0.00 H new ATOM 0 HD22 ASN A 211 6.487 5.380 -15.656 1.00 0.00 H new ATOM 532 N ASP A 212 9.646 2.852 -13.334 1.00 0.00 N ATOM 533 CA ASP A 212 10.622 1.814 -13.001 1.00 0.00 C ATOM 534 C ASP A 212 9.983 0.799 -12.060 1.00 0.00 C ATOM 535 O ASP A 212 8.873 1.004 -11.594 1.00 0.00 O ATOM 536 CB ASP A 212 11.850 2.444 -12.332 1.00 0.00 C ATOM 537 CG ASP A 212 13.040 1.512 -12.287 1.00 0.00 C ATOM 538 OD1 ASP A 212 13.007 0.472 -12.973 1.00 0.00 O ATOM 539 OD2 ASP A 212 14.015 1.824 -11.578 1.00 0.00 O ATOM 0 H ASP A 212 9.625 3.633 -12.678 1.00 0.00 H new ATOM 0 HA ASP A 212 10.938 1.311 -13.915 1.00 0.00 H new ATOM 0 HB2 ASP A 212 12.125 3.351 -12.871 1.00 0.00 H new ATOM 0 HB3 ASP A 212 11.591 2.743 -11.316 1.00 0.00 H new ATOM 544 N LEU A 213 10.683 -0.287 -11.761 1.00 0.00 N ATOM 545 CA LEU A 213 10.148 -1.299 -10.852 1.00 0.00 C ATOM 546 C LEU A 213 10.426 -0.889 -9.418 1.00 0.00 C ATOM 547 O LEU A 213 9.684 -1.225 -8.494 1.00 0.00 O ATOM 548 CB LEU A 213 10.776 -2.684 -11.078 1.00 0.00 C ATOM 549 CG LEU A 213 10.839 -3.195 -12.529 1.00 0.00 C ATOM 550 CD1 LEU A 213 9.528 -2.936 -13.261 1.00 0.00 C ATOM 551 CD2 LEU A 213 12.015 -2.589 -13.278 1.00 0.00 C ATOM 0 H LEU A 213 11.612 -0.491 -12.128 1.00 0.00 H new ATOM 0 HA LEU A 213 9.078 -1.368 -11.049 1.00 0.00 H new ATOM 0 HB2 LEU A 213 11.791 -2.664 -10.682 1.00 0.00 H new ATOM 0 HB3 LEU A 213 10.217 -3.410 -10.487 1.00 0.00 H new ATOM 0 HG LEU A 213 10.992 -4.274 -12.492 1.00 0.00 H new ATOM 0 HD11 LEU A 213 9.602 -3.307 -14.283 1.00 0.00 H new ATOM 0 HD12 LEU A 213 8.716 -3.450 -12.746 1.00 0.00 H new ATOM 0 HD13 LEU A 213 9.326 -1.865 -13.278 1.00 0.00 H new ATOM 0 HD21 LEU A 213 12.031 -2.970 -14.299 1.00 0.00 H new ATOM 0 HD22 LEU A 213 11.914 -1.504 -13.297 1.00 0.00 H new ATOM 0 HD23 LEU A 213 12.944 -2.858 -12.775 1.00 0.00 H new ATOM 563 N HIS A 214 11.528 -0.179 -9.241 1.00 0.00 N ATOM 564 CA HIS A 214 11.945 0.264 -7.925 1.00 0.00 C ATOM 565 C HIS A 214 11.469 1.675 -7.634 1.00 0.00 C ATOM 566 O HIS A 214 11.544 2.127 -6.501 1.00 0.00 O ATOM 567 CB HIS A 214 13.468 0.216 -7.795 1.00 0.00 C ATOM 568 CG HIS A 214 14.049 -1.165 -7.841 1.00 0.00 C ATOM 569 ND1 HIS A 214 13.468 -2.373 -8.054 1.00 0.00 N flip ATOM 570 CD2 HIS A 214 15.388 -1.418 -7.647 1.00 0.00 C flip ATOM 571 CE1 HIS A 214 14.459 -3.322 -7.982 1.00 0.00 C flip ATOM 572 NE2 HIS A 214 15.607 -2.718 -7.732 1.00 0.00 N flip ATOM 0 H HIS A 214 12.151 0.103 -9.998 1.00 0.00 H new ATOM 0 HA HIS A 214 11.493 -0.415 -7.202 1.00 0.00 H new ATOM 0 HB2 HIS A 214 13.908 0.809 -8.597 1.00 0.00 H new ATOM 0 HB3 HIS A 214 13.756 0.687 -6.855 1.00 0.00 H new ATOM 0 HD2 HIS A 214 16.143 -0.670 -7.455 1.00 0.00 H new ATOM 0 HE1 HIS A 214 14.322 -4.386 -8.109 1.00 0.00 H new ATOM 0 HE2 HIS A 214 16.511 -3.178 -7.623 1.00 0.00 H new ATOM 581 N TRP A 215 10.992 2.379 -8.652 1.00 0.00 N ATOM 582 CA TRP A 215 10.534 3.748 -8.453 1.00 0.00 C ATOM 583 C TRP A 215 9.133 3.976 -9.002 1.00 0.00 C ATOM 584 O TRP A 215 8.967 4.391 -10.146 1.00 0.00 O ATOM 585 CB TRP A 215 11.508 4.744 -9.082 1.00 0.00 C ATOM 586 CG TRP A 215 12.869 4.697 -8.458 1.00 0.00 C ATOM 587 CD1 TRP A 215 13.923 3.910 -8.830 1.00 0.00 C ATOM 588 CD2 TRP A 215 13.305 5.445 -7.319 1.00 0.00 C ATOM 589 NE1 TRP A 215 14.994 4.139 -7.999 1.00 0.00 N ATOM 590 CE2 TRP A 215 14.639 5.079 -7.064 1.00 0.00 C ATOM 591 CE3 TRP A 215 12.697 6.392 -6.495 1.00 0.00 C ATOM 592 CZ2 TRP A 215 15.375 5.632 -6.017 1.00 0.00 C ATOM 593 CZ3 TRP A 215 13.425 6.937 -5.461 1.00 0.00 C ATOM 594 CH2 TRP A 215 14.752 6.558 -5.228 1.00 0.00 C ATOM 0 H TRP A 215 10.913 2.033 -9.608 1.00 0.00 H new ATOM 0 HA TRP A 215 10.497 3.912 -7.376 1.00 0.00 H new ATOM 0 HB2 TRP A 215 11.595 4.536 -10.149 1.00 0.00 H new ATOM 0 HB3 TRP A 215 11.103 5.752 -8.985 1.00 0.00 H new ATOM 0 HD1 TRP A 215 13.915 3.212 -9.654 1.00 0.00 H new ATOM 0 HE1 TRP A 215 15.905 3.684 -8.066 1.00 0.00 H new ATOM 0 HE3 TRP A 215 11.674 6.692 -6.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 215 16.399 5.340 -5.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 215 12.963 7.671 -4.817 1.00 0.00 H new ATOM 0 HH2 TRP A 215 15.294 7.006 -4.409 1.00 0.00 H new ATOM 605 N TRP A 216 8.136 3.734 -8.162 1.00 0.00 N ATOM 606 CA TRP A 216 6.740 3.941 -8.534 1.00 0.00 C ATOM 607 C TRP A 216 6.239 5.254 -7.963 1.00 0.00 C ATOM 608 O TRP A 216 6.265 5.450 -6.751 1.00 0.00 O ATOM 609 CB TRP A 216 5.852 2.817 -7.991 1.00 0.00 C ATOM 610 CG TRP A 216 5.852 1.570 -8.805 1.00 0.00 C ATOM 611 CD1 TRP A 216 6.788 1.162 -9.706 1.00 0.00 C ATOM 612 CD2 TRP A 216 4.860 0.548 -8.768 1.00 0.00 C ATOM 613 NE1 TRP A 216 6.429 -0.054 -10.238 1.00 0.00 N ATOM 614 CE2 TRP A 216 5.248 -0.452 -9.674 1.00 0.00 C ATOM 615 CE3 TRP A 216 3.682 0.390 -8.052 1.00 0.00 C ATOM 616 CZ2 TRP A 216 4.487 -1.601 -9.879 1.00 0.00 C ATOM 617 CZ3 TRP A 216 2.928 -0.740 -8.252 1.00 0.00 C ATOM 618 CH2 TRP A 216 3.334 -1.728 -9.160 1.00 0.00 C ATOM 0 H TRP A 216 8.268 3.391 -7.210 1.00 0.00 H new ATOM 0 HA TRP A 216 6.689 3.952 -9.623 1.00 0.00 H new ATOM 0 HB2 TRP A 216 6.177 2.573 -6.979 1.00 0.00 H new ATOM 0 HB3 TRP A 216 4.829 3.185 -7.917 1.00 0.00 H new ATOM 0 HD1 TRP A 216 7.681 1.712 -9.965 1.00 0.00 H new ATOM 0 HE1 TRP A 216 6.957 -0.574 -10.939 1.00 0.00 H new ATOM 0 HE3 TRP A 216 3.363 1.144 -7.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 216 4.798 -2.362 -10.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 216 2.008 -0.870 -7.701 1.00 0.00 H new ATOM 0 HH2 TRP A 216 2.722 -2.608 -9.293 1.00 0.00 H new ATOM 629 N ARG A 217 5.754 6.144 -8.809 1.00 0.00 N ATOM 630 CA ARG A 217 5.233 7.407 -8.316 1.00 0.00 C ATOM 631 C ARG A 217 3.836 7.179 -7.769 1.00 0.00 C ATOM 632 O ARG A 217 2.890 7.007 -8.532 1.00 0.00 O ATOM 633 CB ARG A 217 5.217 8.472 -9.416 1.00 0.00 C ATOM 634 CG ARG A 217 4.939 9.873 -8.885 1.00 0.00 C ATOM 635 CD ARG A 217 5.476 10.952 -9.818 1.00 0.00 C ATOM 636 NE ARG A 217 5.308 12.298 -9.273 1.00 0.00 N ATOM 637 CZ ARG A 217 4.141 12.937 -9.185 1.00 0.00 C ATOM 638 NH1 ARG A 217 3.045 12.408 -9.715 1.00 0.00 N ATOM 639 NH2 ARG A 217 4.080 14.124 -8.598 1.00 0.00 N ATOM 0 H ARG A 217 5.709 6.021 -9.821 1.00 0.00 H new ATOM 0 HA ARG A 217 5.884 7.776 -7.523 1.00 0.00 H new ATOM 0 HB2 ARG A 217 6.178 8.469 -9.931 1.00 0.00 H new ATOM 0 HB3 ARG A 217 4.458 8.212 -10.154 1.00 0.00 H new ATOM 0 HG2 ARG A 217 3.865 10.006 -8.757 1.00 0.00 H new ATOM 0 HG3 ARG A 217 5.394 9.985 -7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 217 6.534 10.770 -10.008 1.00 0.00 H new ATOM 0 HD3 ARG A 217 4.964 10.886 -10.778 1.00 0.00 H new ATOM 0 HE ARG A 217 6.141 12.782 -8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 217 3.093 11.508 -10.193 1.00 0.00 H new ATOM 0 HH12 ARG A 217 2.155 12.901 -9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 217 4.925 14.547 -8.214 1.00 0.00 H new ATOM 0 HH22 ARG A 217 3.188 14.614 -8.530 1.00 0.00 H new ATOM 653 N ALA A 218 3.718 7.149 -6.445 1.00 0.00 N ATOM 654 CA ALA A 218 2.435 6.912 -5.798 1.00 0.00 C ATOM 655 C ALA A 218 2.003 8.111 -4.961 1.00 0.00 C ATOM 656 O ALA A 218 2.821 8.940 -4.571 1.00 0.00 O ATOM 657 CB ALA A 218 2.491 5.646 -4.944 1.00 0.00 C ATOM 0 H ALA A 218 4.496 7.286 -5.800 1.00 0.00 H new ATOM 0 HA ALA A 218 1.688 6.770 -6.579 1.00 0.00 H new ATOM 0 HB1 ALA A 218 1.524 5.485 -4.468 1.00 0.00 H new ATOM 0 HB2 ALA A 218 2.731 4.791 -5.576 1.00 0.00 H new ATOM 0 HB3 ALA A 218 3.258 5.758 -4.178 1.00 0.00 H new ATOM 663 N ARG A 219 0.704 8.191 -4.715 1.00 0.00 N ATOM 664 CA ARG A 219 0.110 9.277 -3.947 1.00 0.00 C ATOM 665 C ARG A 219 -0.156 8.815 -2.521 1.00 0.00 C ATOM 666 O ARG A 219 -0.459 7.645 -2.294 1.00 0.00 O ATOM 667 CB ARG A 219 -1.203 9.712 -4.616 1.00 0.00 C ATOM 668 CG ARG A 219 -1.502 11.199 -4.520 1.00 0.00 C ATOM 669 CD ARG A 219 -2.059 11.598 -3.165 1.00 0.00 C ATOM 670 NE ARG A 219 -3.273 10.861 -2.813 1.00 0.00 N ATOM 671 CZ ARG A 219 -4.444 10.986 -3.444 1.00 0.00 C ATOM 672 NH1 ARG A 219 -4.567 11.811 -4.483 1.00 0.00 N ATOM 673 NH2 ARG A 219 -5.494 10.294 -3.017 1.00 0.00 N ATOM 0 H ARG A 219 0.028 7.501 -5.044 1.00 0.00 H new ATOM 0 HA ARG A 219 0.797 10.123 -3.918 1.00 0.00 H new ATOM 0 HB2 ARG A 219 -1.170 9.429 -5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 219 -2.026 9.160 -4.163 1.00 0.00 H new ATOM 0 HG2 ARG A 219 -0.589 11.762 -4.713 1.00 0.00 H new ATOM 0 HG3 ARG A 219 -2.216 11.473 -5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 219 -1.301 11.427 -2.401 1.00 0.00 H new ATOM 0 HD3 ARG A 219 -2.275 12.666 -3.166 1.00 0.00 H new ATOM 0 HE ARG A 219 -3.222 10.207 -2.032 1.00 0.00 H new ATOM 0 HH11 ARG A 219 -3.764 12.353 -4.802 1.00 0.00 H new ATOM 0 HH12 ARG A 219 -5.464 11.901 -4.959 1.00 0.00 H new ATOM 0 HH21 ARG A 219 -5.403 9.673 -2.213 1.00 0.00 H new ATOM 0 HH22 ARG A 219 -6.392 10.384 -3.493 1.00 0.00 H new ATOM 687 N ASP A 220 -0.042 9.726 -1.565 1.00 0.00 N ATOM 688 CA ASP A 220 -0.272 9.384 -0.168 1.00 0.00 C ATOM 689 C ASP A 220 -1.503 10.092 0.396 1.00 0.00 C ATOM 690 O ASP A 220 -2.614 9.563 0.348 1.00 0.00 O ATOM 691 CB ASP A 220 0.964 9.734 0.670 1.00 0.00 C ATOM 692 CG ASP A 220 0.860 9.266 2.111 1.00 0.00 C ATOM 693 OD1 ASP A 220 -0.132 8.596 2.450 1.00 0.00 O ATOM 694 OD2 ASP A 220 1.775 9.571 2.901 1.00 0.00 O ATOM 0 H ASP A 220 0.207 10.702 -1.729 1.00 0.00 H new ATOM 0 HA ASP A 220 -0.455 8.311 -0.117 1.00 0.00 H new ATOM 0 HB2 ASP A 220 1.845 9.285 0.211 1.00 0.00 H new ATOM 0 HB3 ASP A 220 1.112 10.814 0.655 1.00 0.00 H new ATOM 699 N LYS A 221 -1.281 11.272 0.961 1.00 0.00 N ATOM 700 CA LYS A 221 -2.342 12.053 1.589 1.00 0.00 C ATOM 701 C LYS A 221 -3.252 12.784 0.593 1.00 0.00 C ATOM 702 O LYS A 221 -3.669 12.222 -0.410 1.00 0.00 O ATOM 703 CB LYS A 221 -1.745 13.046 2.591 1.00 0.00 C ATOM 704 CG LYS A 221 -0.387 13.625 2.189 1.00 0.00 C ATOM 705 CD LYS A 221 0.779 12.754 2.656 1.00 0.00 C ATOM 706 CE LYS A 221 0.845 12.643 4.173 1.00 0.00 C ATOM 707 NZ LYS A 221 1.851 11.639 4.610 1.00 0.00 N ATOM 0 H LYS A 221 -0.363 11.715 0.997 1.00 0.00 H new ATOM 0 HA LYS A 221 -2.979 11.336 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 221 -2.448 13.868 2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 221 -1.641 12.549 3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 221 -0.347 13.731 1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 221 -0.282 14.625 2.611 1.00 0.00 H new ATOM 0 HD2 LYS A 221 0.681 11.758 2.225 1.00 0.00 H new ATOM 0 HD3 LYS A 221 1.714 13.172 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 221 1.094 13.615 4.598 1.00 0.00 H new ATOM 0 HE3 LYS A 221 -0.136 12.367 4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 221 1.625 11.317 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 221 1.836 10.827 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 221 2.797 12.070 4.603 1.00 0.00 H new ATOM 721 N TYR A 222 -3.588 14.036 0.914 1.00 0.00 N ATOM 722 CA TYR A 222 -4.496 14.853 0.095 1.00 0.00 C ATOM 723 C TYR A 222 -3.830 15.493 -1.128 1.00 0.00 C ATOM 724 O TYR A 222 -4.086 16.656 -1.441 1.00 0.00 O ATOM 725 CB TYR A 222 -5.141 15.950 0.961 1.00 0.00 C ATOM 726 CG TYR A 222 -4.174 16.853 1.715 1.00 0.00 C ATOM 727 CD1 TYR A 222 -2.790 16.711 1.613 1.00 0.00 C ATOM 728 CD2 TYR A 222 -4.663 17.857 2.536 1.00 0.00 C ATOM 729 CE1 TYR A 222 -1.934 17.541 2.309 1.00 0.00 C ATOM 730 CE2 TYR A 222 -3.812 18.690 3.234 1.00 0.00 C ATOM 731 CZ TYR A 222 -2.448 18.527 3.115 1.00 0.00 C ATOM 732 OH TYR A 222 -1.597 19.356 3.806 1.00 0.00 O ATOM 0 H TYR A 222 -3.241 14.514 1.746 1.00 0.00 H new ATOM 0 HA TYR A 222 -5.251 14.167 -0.289 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -5.765 16.573 0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -5.803 15.473 1.684 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -2.381 15.938 0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -5.731 17.990 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -0.865 17.415 2.220 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -4.212 19.465 3.870 1.00 0.00 H new ATOM 0 HH TYR A 222 -2.120 19.999 4.329 1.00 0.00 H new ATOM 742 N GLY A 223 -3.000 14.749 -1.838 1.00 0.00 N ATOM 743 CA GLY A 223 -2.363 15.310 -3.019 1.00 0.00 C ATOM 744 C GLY A 223 -0.883 15.024 -3.097 1.00 0.00 C ATOM 745 O GLY A 223 -0.358 14.783 -4.183 1.00 0.00 O ATOM 0 H GLY A 223 -2.755 13.782 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -2.850 14.911 -3.909 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -2.518 16.389 -3.028 1.00 0.00 H new ATOM 749 N SER A 224 -0.208 15.057 -1.952 1.00 0.00 N ATOM 750 CA SER A 224 1.227 14.803 -1.903 1.00 0.00 C ATOM 751 C SER A 224 1.559 13.441 -2.505 1.00 0.00 C ATOM 752 O SER A 224 1.161 12.401 -1.973 1.00 0.00 O ATOM 753 CB SER A 224 1.730 14.884 -0.464 1.00 0.00 C ATOM 754 OG SER A 224 1.316 16.101 0.142 1.00 0.00 O ATOM 0 H SER A 224 -0.632 15.257 -1.046 1.00 0.00 H new ATOM 0 HA SER A 224 1.730 15.568 -2.495 1.00 0.00 H new ATOM 0 HB2 SER A 224 1.349 14.038 0.108 1.00 0.00 H new ATOM 0 HB3 SER A 224 2.818 14.815 -0.449 1.00 0.00 H new ATOM 0 HG SER A 224 1.645 16.136 1.064 1.00 0.00 H new ATOM 760 N GLU A 225 2.263 13.461 -3.629 1.00 0.00 N ATOM 761 CA GLU A 225 2.635 12.241 -4.329 1.00 0.00 C ATOM 762 C GLU A 225 4.084 12.334 -4.805 1.00 0.00 C ATOM 763 O GLU A 225 4.636 13.431 -4.901 1.00 0.00 O ATOM 764 CB GLU A 225 1.688 12.027 -5.519 1.00 0.00 C ATOM 765 CG GLU A 225 1.802 13.094 -6.594 1.00 0.00 C ATOM 766 CD GLU A 225 0.617 13.139 -7.534 1.00 0.00 C ATOM 767 OE1 GLU A 225 -0.424 12.531 -7.221 1.00 0.00 O ATOM 768 OE2 GLU A 225 0.722 13.809 -8.580 1.00 0.00 O ATOM 0 H GLU A 225 2.590 14.317 -4.078 1.00 0.00 H new ATOM 0 HA GLU A 225 2.550 11.391 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 225 1.893 11.053 -5.964 1.00 0.00 H new ATOM 0 HB3 GLU A 225 0.661 12.001 -5.154 1.00 0.00 H new ATOM 0 HG2 GLU A 225 1.913 14.068 -6.117 1.00 0.00 H new ATOM 0 HG3 GLU A 225 2.708 12.918 -7.174 1.00 0.00 H new ATOM 775 N GLY A 226 4.705 11.198 -5.096 1.00 0.00 N ATOM 776 CA GLY A 226 6.081 11.224 -5.550 1.00 0.00 C ATOM 777 C GLY A 226 6.655 9.844 -5.753 1.00 0.00 C ATOM 778 O GLY A 226 5.962 8.842 -5.570 1.00 0.00 O ATOM 0 H GLY A 226 4.287 10.270 -5.027 1.00 0.00 H new ATOM 0 HA2 GLY A 226 6.139 11.778 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 226 6.689 11.762 -4.823 1.00 0.00 H new ATOM 782 N TYR A 227 7.925 9.798 -6.137 1.00 0.00 N ATOM 783 CA TYR A 227 8.625 8.541 -6.372 1.00 0.00 C ATOM 784 C TYR A 227 8.754 7.732 -5.089 1.00 0.00 C ATOM 785 O TYR A 227 9.277 8.211 -4.082 1.00 0.00 O ATOM 786 CB TYR A 227 10.001 8.809 -6.980 1.00 0.00 C ATOM 787 CG TYR A 227 9.980 8.849 -8.487 1.00 0.00 C ATOM 788 CD1 TYR A 227 9.039 9.613 -9.169 1.00 0.00 C ATOM 789 CD2 TYR A 227 10.891 8.113 -9.227 1.00 0.00 C ATOM 790 CE1 TYR A 227 9.007 9.636 -10.548 1.00 0.00 C ATOM 791 CE2 TYR A 227 10.869 8.133 -10.604 1.00 0.00 C ATOM 792 CZ TYR A 227 9.925 8.893 -11.261 1.00 0.00 C ATOM 793 OH TYR A 227 9.898 8.905 -12.633 1.00 0.00 O ATOM 0 H TYR A 227 8.497 10.628 -6.294 1.00 0.00 H new ATOM 0 HA TYR A 227 8.038 7.952 -7.077 1.00 0.00 H new ATOM 0 HB2 TYR A 227 10.381 9.758 -6.602 1.00 0.00 H new ATOM 0 HB3 TYR A 227 10.694 8.035 -6.652 1.00 0.00 H new ATOM 0 HD1 TYR A 227 8.322 10.197 -8.611 1.00 0.00 H new ATOM 0 HD2 TYR A 227 11.630 7.514 -8.716 1.00 0.00 H new ATOM 0 HE1 TYR A 227 8.269 10.231 -11.065 1.00 0.00 H new ATOM 0 HE2 TYR A 227 11.588 7.556 -11.166 1.00 0.00 H new ATOM 0 HH TYR A 227 9.082 8.463 -12.948 1.00 0.00 H new ATOM 803 N ILE A 228 8.247 6.508 -5.142 1.00 0.00 N ATOM 804 CA ILE A 228 8.260 5.603 -4.007 1.00 0.00 C ATOM 805 C ILE A 228 8.834 4.254 -4.386 1.00 0.00 C ATOM 806 O ILE A 228 8.343 3.617 -5.316 1.00 0.00 O ATOM 807 CB ILE A 228 6.832 5.356 -3.499 1.00 0.00 C ATOM 808 CG1 ILE A 228 6.181 6.667 -3.069 1.00 0.00 C ATOM 809 CG2 ILE A 228 6.828 4.352 -2.358 1.00 0.00 C ATOM 810 CD1 ILE A 228 4.838 6.475 -2.405 1.00 0.00 C ATOM 0 H ILE A 228 7.814 6.116 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 228 8.874 6.073 -3.238 1.00 0.00 H new ATOM 0 HB ILE A 228 6.248 4.936 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 228 6.848 7.188 -2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 228 6.059 7.308 -3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 228 5.805 4.194 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 228 7.245 3.406 -2.704 1.00 0.00 H new ATOM 0 HG23 ILE A 228 7.431 4.735 -1.535 1.00 0.00 H new ATOM 0 HD11 ILE A 228 4.429 7.445 -2.124 1.00 0.00 H new ATOM 0 HD12 ILE A 228 4.157 5.981 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 228 4.958 5.859 -1.513 1.00 0.00 H new ATOM 822 N PRO A 229 9.872 3.788 -3.675 1.00 0.00 N ATOM 823 CA PRO A 229 10.476 2.494 -3.949 1.00 0.00 C ATOM 824 C PRO A 229 9.497 1.350 -3.865 1.00 0.00 C ATOM 825 O PRO A 229 9.286 0.794 -2.791 1.00 0.00 O ATOM 826 CB PRO A 229 11.500 2.314 -2.840 1.00 0.00 C ATOM 827 CG PRO A 229 11.848 3.707 -2.450 1.00 0.00 C ATOM 828 CD PRO A 229 10.550 4.474 -2.558 1.00 0.00 C ATOM 0 HA PRO A 229 10.882 2.481 -4.960 1.00 0.00 H new ATOM 0 HB2 PRO A 229 11.087 1.755 -2.001 1.00 0.00 H new ATOM 0 HB3 PRO A 229 12.375 1.765 -3.188 1.00 0.00 H new ATOM 0 HG2 PRO A 229 12.247 3.746 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 229 12.610 4.124 -3.109 1.00 0.00 H new ATOM 0 HD2 PRO A 229 9.969 4.423 -1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 229 10.718 5.530 -2.771 1.00 0.00 H new ATOM 836 N SER A 230 8.929 0.975 -4.998 1.00 0.00 N ATOM 837 CA SER A 230 8.017 -0.154 -5.040 1.00 0.00 C ATOM 838 C SER A 230 8.787 -1.398 -4.594 1.00 0.00 C ATOM 839 O SER A 230 8.212 -2.407 -4.184 1.00 0.00 O ATOM 840 CB SER A 230 7.458 -0.340 -6.451 1.00 0.00 C ATOM 841 OG SER A 230 6.450 -1.338 -6.491 1.00 0.00 O ATOM 0 H SER A 230 9.082 1.433 -5.896 1.00 0.00 H new ATOM 0 HA SER A 230 7.171 0.020 -4.375 1.00 0.00 H new ATOM 0 HB2 SER A 230 7.048 0.605 -6.807 1.00 0.00 H new ATOM 0 HB3 SER A 230 8.267 -0.613 -7.129 1.00 0.00 H new ATOM 0 HG SER A 230 5.794 -1.113 -7.184 1.00 0.00 H new ATOM 847 N ASN A 231 10.116 -1.279 -4.642 1.00 0.00 N ATOM 848 CA ASN A 231 11.010 -2.340 -4.222 1.00 0.00 C ATOM 849 C ASN A 231 10.965 -2.511 -2.699 1.00 0.00 C ATOM 850 O ASN A 231 11.504 -3.471 -2.150 1.00 0.00 O ATOM 851 CB ASN A 231 12.437 -2.058 -4.716 1.00 0.00 C ATOM 852 CG ASN A 231 13.412 -3.168 -4.358 1.00 0.00 C ATOM 853 OD1 ASN A 231 13.178 -4.333 -4.670 1.00 0.00 O ATOM 854 ND2 ASN A 231 14.519 -2.812 -3.720 1.00 0.00 N ATOM 0 H ASN A 231 10.594 -0.442 -4.974 1.00 0.00 H new ATOM 0 HA ASN A 231 10.680 -3.278 -4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 231 12.423 -1.927 -5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 231 12.787 -1.120 -4.286 1.00 0.00 H new ATOM 0 HD21 ASN A 231 15.213 -3.517 -3.471 1.00 0.00 H new ATOM 0 HD22 ASN A 231 14.676 -1.834 -3.479 1.00 0.00 H new ATOM 861 N TYR A 232 10.294 -1.579 -2.028 1.00 0.00 N ATOM 862 CA TYR A 232 10.143 -1.615 -0.576 1.00 0.00 C ATOM 863 C TYR A 232 8.676 -1.519 -0.168 1.00 0.00 C ATOM 864 O TYR A 232 8.373 -0.999 0.905 1.00 0.00 O ATOM 865 CB TYR A 232 10.898 -0.452 0.085 1.00 0.00 C ATOM 866 CG TYR A 232 12.333 -0.750 0.453 1.00 0.00 C ATOM 867 CD1 TYR A 232 12.935 -1.948 0.095 1.00 0.00 C ATOM 868 CD2 TYR A 232 13.086 0.173 1.171 1.00 0.00 C ATOM 869 CE1 TYR A 232 14.243 -2.221 0.438 1.00 0.00 C ATOM 870 CE2 TYR A 232 14.397 -0.093 1.520 1.00 0.00 C ATOM 871 CZ TYR A 232 14.970 -1.292 1.151 1.00 0.00 C ATOM 872 OH TYR A 232 16.271 -1.568 1.498 1.00 0.00 O ATOM 0 H TYR A 232 9.841 -0.781 -2.473 1.00 0.00 H new ATOM 0 HA TYR A 232 10.556 -2.567 -0.242 1.00 0.00 H new ATOM 0 HB2 TYR A 232 10.882 0.403 -0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 232 10.361 -0.156 0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 232 12.369 -2.680 -0.462 1.00 0.00 H new ATOM 0 HD2 TYR A 232 12.639 1.113 1.461 1.00 0.00 H new ATOM 0 HE1 TYR A 232 14.695 -3.158 0.149 1.00 0.00 H new ATOM 0 HE2 TYR A 232 14.969 0.634 2.078 1.00 0.00 H new ATOM 0 HH TYR A 232 16.644 -0.811 1.997 1.00 0.00 H new ATOM 882 N VAL A 233 7.759 -1.989 -1.007 1.00 0.00 N ATOM 883 CA VAL A 233 6.344 -1.896 -0.660 1.00 0.00 C ATOM 884 C VAL A 233 5.666 -3.263 -0.525 1.00 0.00 C ATOM 885 O VAL A 233 6.023 -4.227 -1.202 1.00 0.00 O ATOM 886 CB VAL A 233 5.561 -1.028 -1.672 1.00 0.00 C ATOM 887 CG1 VAL A 233 6.155 0.369 -1.762 1.00 0.00 C ATOM 888 CG2 VAL A 233 5.517 -1.670 -3.046 1.00 0.00 C ATOM 0 H VAL A 233 7.960 -2.426 -1.907 1.00 0.00 H new ATOM 0 HA VAL A 233 6.319 -1.416 0.318 1.00 0.00 H new ATOM 0 HB VAL A 233 4.537 -0.950 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 233 5.587 0.960 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 233 6.111 0.847 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 233 7.193 0.303 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 233 4.958 -1.030 -3.729 1.00 0.00 H new ATOM 0 HG22 VAL A 233 6.533 -1.800 -3.420 1.00 0.00 H new ATOM 0 HG23 VAL A 233 5.028 -2.642 -2.978 1.00 0.00 H new ATOM 898 N THR A 234 4.664 -3.310 0.353 1.00 0.00 N ATOM 899 CA THR A 234 3.879 -4.510 0.610 1.00 0.00 C ATOM 900 C THR A 234 2.788 -4.664 -0.424 1.00 0.00 C ATOM 901 O THR A 234 1.983 -3.752 -0.658 1.00 0.00 O ATOM 902 CB THR A 234 3.257 -4.454 2.012 1.00 0.00 C ATOM 903 OG1 THR A 234 4.203 -4.005 2.969 1.00 0.00 O ATOM 904 CG2 THR A 234 2.735 -5.791 2.492 1.00 0.00 C ATOM 0 H THR A 234 4.374 -2.506 0.910 1.00 0.00 H new ATOM 0 HA THR A 234 4.546 -5.370 0.550 1.00 0.00 H new ATOM 0 HB THR A 234 2.421 -3.760 1.922 1.00 0.00 H new ATOM 0 HG1 THR A 234 4.002 -3.079 3.219 1.00 0.00 H new ATOM 0 HG21 THR A 234 2.309 -5.679 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 234 1.966 -6.148 1.807 1.00 0.00 H new ATOM 0 HG23 THR A 234 3.553 -6.510 2.526 1.00 0.00 H new ATOM 912 N GLY A 235 2.754 -5.833 -1.030 1.00 0.00 N ATOM 913 CA GLY A 235 1.753 -6.106 -2.020 1.00 0.00 C ATOM 914 C GLY A 235 0.516 -6.733 -1.421 1.00 0.00 C ATOM 915 O GLY A 235 -0.172 -7.509 -2.080 1.00 0.00 O ATOM 0 H GLY A 235 3.405 -6.598 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 235 1.481 -5.179 -2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 235 2.166 -6.772 -2.778 1.00 0.00 H new ATOM 919 N LYS A 236 0.189 -6.348 -0.180 1.00 0.00 N ATOM 920 CA LYS A 236 -1.027 -6.838 0.466 1.00 0.00 C ATOM 921 C LYS A 236 -2.191 -6.093 -0.164 1.00 0.00 C ATOM 922 O LYS A 236 -3.361 -6.364 0.108 1.00 0.00 O ATOM 923 CB LYS A 236 -1.007 -6.620 1.994 1.00 0.00 C ATOM 924 CG LYS A 236 -1.762 -5.378 2.478 1.00 0.00 C ATOM 925 CD LYS A 236 -2.068 -5.462 3.968 1.00 0.00 C ATOM 926 CE LYS A 236 -3.054 -4.384 4.415 1.00 0.00 C ATOM 927 NZ LYS A 236 -2.508 -3.002 4.273 1.00 0.00 N ATOM 0 H LYS A 236 0.744 -5.707 0.387 1.00 0.00 H new ATOM 0 HA LYS A 236 -1.114 -7.914 0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -1.434 -7.499 2.477 1.00 0.00 H new ATOM 0 HB3 LYS A 236 0.030 -6.548 2.323 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.168 -4.487 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.692 -5.274 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -2.478 -6.445 4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.142 -5.362 4.534 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -3.969 -4.470 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -3.326 -4.557 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 -2.409 -2.569 5.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 -1.577 -3.042 3.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -3.157 -2.430 3.695 1.00 0.00 H new