USER MOD reduce.3.24.130724 H: found=0, std=0, add=450, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -162:sc=-0.00315 (180deg=-0.444) USER MOD Single : A 17 LYS NZ :NH3+ 149:sc= 0.784 (180deg=0.512) USER MOD Single : A 18 ASN : amide:sc= 0.245 K(o=0.24,f=-3.5!) USER MOD Single : A 19 LYS NZ :NH3+ -172:sc= -0.0163 (180deg=-0.118) USER MOD Single : A 20 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00645) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 20:sc= 0.295 USER MOD Single : A 30 LYS NZ :NH3+ -119:sc= 0.794 (180deg=-0.0796) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -122:sc= 0.372 USER MOD Single : A 43 HIS : no HD1:sc= -0.0175 X(o=-0.017,f=-0.094) USER MOD Single : A 44 HIS : no HD1:sc= -0.0052 X(o=-0.0052,f=0) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 6 10.106 5.233 1.269 1.00 0.00 N ATOM 51 CA LEU A 6 9.113 5.620 2.270 1.00 0.00 C ATOM 52 C LEU A 6 7.921 4.656 2.214 1.00 0.00 C ATOM 53 O LEU A 6 6.835 5.023 1.756 1.00 0.00 O ATOM 54 CB LEU A 6 8.687 7.099 2.004 1.00 0.00 C ATOM 55 CG LEU A 6 9.866 8.119 1.886 1.00 0.00 C ATOM 56 CD1 LEU A 6 9.368 9.524 1.473 1.00 0.00 C ATOM 57 CD2 LEU A 6 10.695 8.155 3.194 1.00 0.00 C ATOM 0 HA LEU A 6 9.531 5.559 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.105 7.133 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.028 7.421 2.810 1.00 0.00 H new ATOM 0 HG LEU A 6 10.526 7.778 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.217 10.204 1.402 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.869 9.463 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 6 8.667 9.896 2.220 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.510 8.871 3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.054 8.454 4.023 1.00 0.00 H new ATOM 0 HD23 LEU A 6 11.106 7.165 3.392 1.00 0.00 H new ATOM 69 N TYR A 7 8.172 3.401 2.638 1.00 0.00 N ATOM 70 CA TYR A 7 7.151 2.336 2.749 1.00 0.00 C ATOM 71 C TYR A 7 5.957 2.800 3.601 1.00 0.00 C ATOM 72 O TYR A 7 4.890 3.140 3.061 1.00 0.00 O ATOM 73 CB TYR A 7 7.780 1.042 3.352 1.00 0.00 C ATOM 74 CG TYR A 7 8.797 0.362 2.435 1.00 0.00 C ATOM 75 CD1 TYR A 7 8.378 -0.349 1.309 1.00 0.00 C ATOM 76 CD2 TYR A 7 10.175 0.436 2.678 1.00 0.00 C ATOM 77 CE1 TYR A 7 9.285 -0.956 0.464 1.00 0.00 C ATOM 78 CE2 TYR A 7 11.083 -0.176 1.834 1.00 0.00 C ATOM 79 CZ TYR A 7 10.632 -0.867 0.729 1.00 0.00 C ATOM 80 OH TYR A 7 11.530 -1.462 -0.130 1.00 0.00 O ATOM 0 H TYR A 7 9.103 3.093 2.917 1.00 0.00 H new ATOM 0 HA TYR A 7 6.784 2.114 1.747 1.00 0.00 H new ATOM 0 HB2 TYR A 7 8.266 1.292 4.295 1.00 0.00 H new ATOM 0 HB3 TYR A 7 6.983 0.335 3.581 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.322 -0.426 1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 7 10.534 0.980 3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.938 -1.499 -0.403 1.00 0.00 H new ATOM 0 HE2 TYR A 7 12.141 -0.113 2.039 1.00 0.00 H new ATOM 0 HH TYR A 7 12.442 -1.309 0.193 1.00 0.00 H new ATOM 90 N GLU A 8 6.157 2.823 4.927 1.00 0.00 N ATOM 91 CA GLU A 8 5.152 3.257 5.883 1.00 0.00 C ATOM 92 C GLU A 8 5.877 3.652 7.165 1.00 0.00 C ATOM 93 O GLU A 8 5.977 2.856 8.095 1.00 0.00 O ATOM 94 CB GLU A 8 4.102 2.128 6.103 1.00 0.00 C ATOM 95 CG GLU A 8 2.989 2.448 7.114 1.00 0.00 C ATOM 96 CD GLU A 8 1.891 1.371 7.138 1.00 0.00 C ATOM 97 OE1 GLU A 8 2.149 0.266 7.656 1.00 0.00 O ATOM 98 OE2 GLU A 8 0.778 1.613 6.626 1.00 0.00 O ATOM 0 H GLU A 8 7.034 2.536 5.361 1.00 0.00 H new ATOM 0 HA GLU A 8 4.596 4.120 5.517 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.641 1.892 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.623 1.230 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.423 2.543 8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 8 2.544 3.412 6.867 1.00 0.00 H new ATOM 105 N VAL A 9 6.466 4.860 7.176 1.00 0.00 N ATOM 106 CA VAL A 9 7.219 5.355 8.342 1.00 0.00 C ATOM 107 C VAL A 9 6.257 5.627 9.512 1.00 0.00 C ATOM 108 O VAL A 9 5.168 6.182 9.307 1.00 0.00 O ATOM 109 CB VAL A 9 8.076 6.632 8.000 1.00 0.00 C ATOM 110 CG1 VAL A 9 9.096 6.326 6.867 1.00 0.00 C ATOM 111 CG2 VAL A 9 7.181 7.843 7.647 1.00 0.00 C ATOM 0 H VAL A 9 6.435 5.511 6.392 1.00 0.00 H new ATOM 0 HA VAL A 9 7.925 4.579 8.638 1.00 0.00 H new ATOM 0 HB VAL A 9 8.639 6.903 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 9 9.676 7.222 6.648 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.767 5.529 7.187 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.561 6.012 5.971 1.00 0.00 H new ATOM 0 HG21 VAL A 9 7.808 8.704 7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.566 7.601 6.780 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.537 8.079 8.494 1.00 0.00 H new ATOM 121 N GLU A 10 6.623 5.176 10.721 1.00 0.00 N ATOM 122 CA GLU A 10 5.816 5.413 11.908 1.00 0.00 C ATOM 123 C GLU A 10 6.080 6.825 12.444 1.00 0.00 C ATOM 124 O GLU A 10 5.144 7.603 12.630 1.00 0.00 O ATOM 125 CB GLU A 10 6.106 4.354 12.990 1.00 0.00 C ATOM 126 CG GLU A 10 5.203 4.493 14.226 1.00 0.00 C ATOM 127 CD GLU A 10 5.473 3.430 15.280 1.00 0.00 C ATOM 128 OE1 GLU A 10 4.934 2.307 15.170 1.00 0.00 O ATOM 129 OE2 GLU A 10 6.239 3.705 16.225 1.00 0.00 O ATOM 0 H GLU A 10 7.476 4.645 10.894 1.00 0.00 H new ATOM 0 HA GLU A 10 4.763 5.331 11.637 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.975 3.360 12.562 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.149 4.434 13.298 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.348 5.479 14.667 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.160 4.433 13.916 1.00 0.00 H new ATOM 136 N ARG A 11 7.367 7.161 12.661 1.00 0.00 N ATOM 137 CA ARG A 11 7.741 8.465 13.255 1.00 0.00 C ATOM 138 C ARG A 11 9.238 8.737 13.079 1.00 0.00 C ATOM 139 O ARG A 11 10.015 7.818 12.777 1.00 0.00 O ATOM 140 CB ARG A 11 7.361 8.507 14.780 1.00 0.00 C ATOM 141 CG ARG A 11 8.309 7.710 15.715 1.00 0.00 C ATOM 142 CD ARG A 11 7.768 7.552 17.151 1.00 0.00 C ATOM 143 NE ARG A 11 6.688 6.544 17.220 1.00 0.00 N ATOM 144 CZ ARG A 11 5.665 6.541 18.082 1.00 0.00 C ATOM 145 NH1 ARG A 11 5.431 7.575 18.882 1.00 0.00 N ATOM 146 NH2 ARG A 11 4.847 5.501 18.108 1.00 0.00 N ATOM 0 H ARG A 11 8.158 6.557 12.438 1.00 0.00 H new ATOM 0 HA ARG A 11 7.185 9.243 12.732 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.344 9.547 15.106 1.00 0.00 H new ATOM 0 HB3 ARG A 11 6.349 8.119 14.898 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.480 6.721 15.289 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.276 8.212 15.753 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.581 7.261 17.816 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.393 8.512 17.507 1.00 0.00 H new ATOM 0 HE ARG A 11 6.727 5.779 16.547 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.038 8.394 18.847 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.645 7.550 19.531 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.001 4.715 17.476 1.00 0.00 H new ATOM 0 HH22 ARG A 11 4.063 5.485 18.760 1.00 0.00 H new ATOM 160 N ILE A 12 9.624 10.008 13.261 1.00 0.00 N ATOM 161 CA ILE A 12 11.026 10.380 13.425 1.00 0.00 C ATOM 162 C ILE A 12 11.442 10.086 14.872 1.00 0.00 C ATOM 163 O ILE A 12 10.816 10.568 15.824 1.00 0.00 O ATOM 164 CB ILE A 12 11.321 11.889 13.114 1.00 0.00 C ATOM 165 CG1 ILE A 12 10.736 12.302 11.724 1.00 0.00 C ATOM 166 CG2 ILE A 12 12.853 12.172 13.191 1.00 0.00 C ATOM 167 CD1 ILE A 12 11.180 13.668 11.250 1.00 0.00 C ATOM 0 H ILE A 12 8.977 10.795 13.298 1.00 0.00 H new ATOM 0 HA ILE A 12 11.596 9.793 12.705 1.00 0.00 H new ATOM 0 HB ILE A 12 10.826 12.498 13.870 1.00 0.00 H new ATOM 0 HG12 ILE A 12 11.029 11.559 10.983 1.00 0.00 H new ATOM 0 HG13 ILE A 12 9.648 12.284 11.780 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.040 13.223 12.973 1.00 0.00 H new ATOM 0 HG22 ILE A 12 13.216 11.939 14.192 1.00 0.00 H new ATOM 0 HG23 ILE A 12 13.375 11.552 12.462 1.00 0.00 H new ATOM 0 HD11 ILE A 12 10.731 13.880 10.279 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.863 14.423 11.969 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.266 13.686 11.159 1.00 0.00 H new ATOM 179 N VAL A 13 12.474 9.263 15.001 1.00 0.00 N ATOM 180 CA VAL A 13 13.089 8.900 16.277 1.00 0.00 C ATOM 181 C VAL A 13 13.975 10.059 16.767 1.00 0.00 C ATOM 182 O VAL A 13 13.822 10.549 17.894 1.00 0.00 O ATOM 183 CB VAL A 13 13.971 7.608 16.110 1.00 0.00 C ATOM 184 CG1 VAL A 13 14.611 7.159 17.441 1.00 0.00 C ATOM 185 CG2 VAL A 13 13.172 6.469 15.440 1.00 0.00 C ATOM 0 H VAL A 13 12.921 8.816 14.201 1.00 0.00 H new ATOM 0 HA VAL A 13 12.301 8.702 17.004 1.00 0.00 H new ATOM 0 HB VAL A 13 14.796 7.866 15.446 1.00 0.00 H new ATOM 0 HG11 VAL A 13 15.210 6.264 17.273 1.00 0.00 H new ATOM 0 HG12 VAL A 13 15.249 7.955 17.825 1.00 0.00 H new ATOM 0 HG13 VAL A 13 13.827 6.941 18.166 1.00 0.00 H new ATOM 0 HG21 VAL A 13 13.808 5.590 15.338 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.306 6.222 16.054 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.837 6.791 14.454 1.00 0.00 H new ATOM 195 N ASP A 14 14.876 10.503 15.872 1.00 0.00 N ATOM 196 CA ASP A 14 15.939 11.463 16.196 1.00 0.00 C ATOM 197 C ASP A 14 16.481 12.073 14.885 1.00 0.00 C ATOM 198 O ASP A 14 16.042 11.699 13.799 1.00 0.00 O ATOM 199 CB ASP A 14 17.067 10.748 17.007 1.00 0.00 C ATOM 200 CG ASP A 14 18.092 11.718 17.617 1.00 0.00 C ATOM 201 OD1 ASP A 14 17.714 12.489 18.530 1.00 0.00 O ATOM 202 OD2 ASP A 14 19.258 11.749 17.169 1.00 0.00 O ATOM 0 H ASP A 14 14.884 10.202 14.898 1.00 0.00 H new ATOM 0 HA ASP A 14 15.546 12.269 16.816 1.00 0.00 H new ATOM 0 HB2 ASP A 14 16.613 10.162 17.806 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.586 10.048 16.353 1.00 0.00 H new ATOM 207 N LYS A 15 17.391 13.048 14.995 1.00 0.00 N ATOM 208 CA LYS A 15 18.175 13.542 13.853 1.00 0.00 C ATOM 209 C LYS A 15 19.539 14.016 14.358 1.00 0.00 C ATOM 210 O LYS A 15 19.695 14.395 15.527 1.00 0.00 O ATOM 211 CB LYS A 15 17.417 14.652 13.053 1.00 0.00 C ATOM 212 CG LYS A 15 17.574 16.118 13.548 1.00 0.00 C ATOM 213 CD LYS A 15 18.639 16.927 12.763 1.00 0.00 C ATOM 214 CE LYS A 15 18.862 18.318 13.374 1.00 0.00 C ATOM 215 NZ LYS A 15 17.615 19.127 13.408 1.00 0.00 N ATOM 0 H LYS A 15 17.606 13.517 15.875 1.00 0.00 H new ATOM 0 HA LYS A 15 18.325 12.728 13.144 1.00 0.00 H new ATOM 0 HB2 LYS A 15 17.750 14.608 12.016 1.00 0.00 H new ATOM 0 HB3 LYS A 15 16.355 14.406 13.057 1.00 0.00 H new ATOM 0 HG2 LYS A 15 16.612 16.625 13.467 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.842 16.109 14.604 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.580 16.378 12.756 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.324 17.032 11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.249 18.209 14.387 1.00 0.00 H new ATOM 0 HE3 LYS A 15 19.620 18.848 12.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.856 20.131 13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.097 19.004 12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.019 18.813 14.200 1.00 0.00 H new ATOM 229 N ARG A 16 20.504 14.018 13.447 1.00 0.00 N ATOM 230 CA ARG A 16 21.905 14.272 13.735 1.00 0.00 C ATOM 231 C ARG A 16 22.623 14.676 12.434 1.00 0.00 C ATOM 232 O ARG A 16 22.007 14.739 11.353 1.00 0.00 O ATOM 233 CB ARG A 16 22.532 13.006 14.417 1.00 0.00 C ATOM 234 CG ARG A 16 22.506 11.677 13.591 1.00 0.00 C ATOM 235 CD ARG A 16 23.745 11.500 12.697 1.00 0.00 C ATOM 236 NE ARG A 16 23.769 10.207 11.991 1.00 0.00 N ATOM 237 CZ ARG A 16 24.702 9.253 12.142 1.00 0.00 C ATOM 238 NH1 ARG A 16 25.635 9.351 13.082 1.00 0.00 N ATOM 239 NH2 ARG A 16 24.674 8.192 11.360 1.00 0.00 N ATOM 0 H ARG A 16 20.325 13.837 12.459 1.00 0.00 H new ATOM 0 HA ARG A 16 22.018 15.100 14.435 1.00 0.00 H new ATOM 0 HB2 ARG A 16 23.569 13.232 14.666 1.00 0.00 H new ATOM 0 HB3 ARG A 16 22.009 12.832 15.358 1.00 0.00 H new ATOM 0 HG2 ARG A 16 22.435 10.832 14.276 1.00 0.00 H new ATOM 0 HG3 ARG A 16 21.611 11.660 12.969 1.00 0.00 H new ATOM 0 HD2 ARG A 16 23.776 12.307 11.965 1.00 0.00 H new ATOM 0 HD3 ARG A 16 24.643 11.590 13.309 1.00 0.00 H new ATOM 0 HE ARG A 16 23.013 10.021 11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 16 25.650 10.160 13.703 1.00 0.00 H new ATOM 0 HH12 ARG A 16 26.336 8.617 13.183 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.948 8.102 10.649 1.00 0.00 H new ATOM 0 HH22 ARG A 16 25.378 7.461 11.466 1.00 0.00 H new ATOM 253 N LYS A 17 23.917 14.968 12.549 1.00 0.00 N ATOM 254 CA LYS A 17 24.768 15.299 11.402 1.00 0.00 C ATOM 255 C LYS A 17 25.533 14.030 10.976 1.00 0.00 C ATOM 256 O LYS A 17 26.325 13.494 11.756 1.00 0.00 O ATOM 257 CB LYS A 17 25.757 16.470 11.751 1.00 0.00 C ATOM 258 CG LYS A 17 26.012 17.481 10.600 1.00 0.00 C ATOM 259 CD LYS A 17 25.008 18.664 10.522 1.00 0.00 C ATOM 260 CE LYS A 17 23.593 18.268 10.067 1.00 0.00 C ATOM 261 NZ LYS A 17 22.737 19.450 9.840 1.00 0.00 N ATOM 0 H LYS A 17 24.409 14.982 13.442 1.00 0.00 H new ATOM 0 HA LYS A 17 24.149 15.645 10.574 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.364 17.013 12.610 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.712 16.040 12.055 1.00 0.00 H new ATOM 0 HG2 LYS A 17 27.018 17.886 10.710 1.00 0.00 H new ATOM 0 HG3 LYS A 17 25.988 16.942 9.653 1.00 0.00 H new ATOM 0 HD2 LYS A 17 24.943 19.134 11.503 1.00 0.00 H new ATOM 0 HD3 LYS A 17 25.401 19.413 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 17 23.657 17.684 9.149 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.135 17.627 10.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.049 19.241 9.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 22.231 19.686 10.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 23.328 20.257 9.554 1.00 0.00 H new ATOM 275 N ASN A 18 25.242 13.532 9.756 1.00 0.00 N ATOM 276 CA ASN A 18 26.004 12.431 9.101 1.00 0.00 C ATOM 277 C ASN A 18 27.506 12.802 9.000 1.00 0.00 C ATOM 278 O ASN A 18 27.840 13.978 9.069 1.00 0.00 O ATOM 279 CB ASN A 18 25.394 12.167 7.688 1.00 0.00 C ATOM 280 CG ASN A 18 26.164 11.158 6.820 1.00 0.00 C ATOM 281 OD1 ASN A 18 27.048 11.534 6.046 1.00 0.00 O ATOM 282 ND2 ASN A 18 25.845 9.878 6.940 1.00 0.00 N ATOM 0 H ASN A 18 24.469 13.880 9.189 1.00 0.00 H new ATOM 0 HA ASN A 18 25.929 11.522 9.697 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.372 11.809 7.812 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.337 13.114 7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 18 26.334 9.176 6.385 1.00 0.00 H new ATOM 0 HD22 ASN A 18 25.110 9.594 7.588 1.00 0.00 H new ATOM 289 N LYS A 19 28.387 11.795 8.834 1.00 0.00 N ATOM 290 CA LYS A 19 29.869 11.975 8.783 1.00 0.00 C ATOM 291 C LYS A 19 30.336 13.006 7.709 1.00 0.00 C ATOM 292 O LYS A 19 31.401 13.607 7.840 1.00 0.00 O ATOM 293 CB LYS A 19 30.532 10.593 8.540 1.00 0.00 C ATOM 294 CG LYS A 19 30.169 9.922 7.176 1.00 0.00 C ATOM 295 CD LYS A 19 31.365 9.853 6.197 1.00 0.00 C ATOM 296 CE LYS A 19 30.996 9.197 4.858 1.00 0.00 C ATOM 297 NZ LYS A 19 30.463 7.819 5.024 1.00 0.00 N ATOM 0 H LYS A 19 28.097 10.823 8.730 1.00 0.00 H new ATOM 0 HA LYS A 19 30.183 12.389 9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 19 31.614 10.711 8.594 1.00 0.00 H new ATOM 0 HB3 LYS A 19 30.244 9.920 9.348 1.00 0.00 H new ATOM 0 HG2 LYS A 19 29.800 8.913 7.361 1.00 0.00 H new ATOM 0 HG3 LYS A 19 29.356 10.478 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 19 31.738 10.861 6.013 1.00 0.00 H new ATOM 0 HD3 LYS A 19 32.177 9.293 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 30.253 9.811 4.349 1.00 0.00 H new ATOM 0 HE3 LYS A 19 31.877 9.167 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 30.357 7.373 4.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 31.121 7.259 5.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 29.537 7.859 5.495 1.00 0.00 H new ATOM 311 N LYS A 20 29.517 13.187 6.654 1.00 0.00 N ATOM 312 CA LYS A 20 29.737 14.194 5.586 1.00 0.00 C ATOM 313 C LYS A 20 29.133 15.574 5.951 1.00 0.00 C ATOM 314 O LYS A 20 29.019 16.456 5.086 1.00 0.00 O ATOM 315 CB LYS A 20 29.101 13.669 4.270 1.00 0.00 C ATOM 316 CG LYS A 20 29.870 12.519 3.593 1.00 0.00 C ATOM 317 CD LYS A 20 29.172 11.998 2.312 1.00 0.00 C ATOM 318 CE LYS A 20 28.979 13.089 1.237 1.00 0.00 C ATOM 319 NZ LYS A 20 30.268 13.680 0.792 1.00 0.00 N ATOM 0 H LYS A 20 28.672 12.633 6.514 1.00 0.00 H new ATOM 0 HA LYS A 20 30.811 14.337 5.464 1.00 0.00 H new ATOM 0 HB2 LYS A 20 28.086 13.333 4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 20 29.021 14.497 3.566 1.00 0.00 H new ATOM 0 HG2 LYS A 20 30.874 12.860 3.340 1.00 0.00 H new ATOM 0 HG3 LYS A 20 29.981 11.697 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 20 29.761 11.183 1.891 1.00 0.00 H new ATOM 0 HD3 LYS A 20 28.200 11.584 2.579 1.00 0.00 H new ATOM 0 HE2 LYS A 20 28.463 12.661 0.378 1.00 0.00 H new ATOM 0 HE3 LYS A 20 28.339 13.877 1.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 30.089 14.383 0.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 30.735 14.142 1.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 30.884 12.929 0.419 1.00 0.00 H new ATOM 333 N GLY A 21 28.776 15.751 7.230 1.00 0.00 N ATOM 334 CA GLY A 21 28.081 16.946 7.716 1.00 0.00 C ATOM 335 C GLY A 21 26.699 17.141 7.086 1.00 0.00 C ATOM 336 O GLY A 21 26.268 18.274 6.854 1.00 0.00 O ATOM 0 H GLY A 21 28.963 15.063 7.960 1.00 0.00 H new ATOM 0 HA2 GLY A 21 27.973 16.880 8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 21 28.694 17.823 7.510 1.00 0.00 H new ATOM 340 N LYS A 22 26.007 16.021 6.801 1.00 0.00 N ATOM 341 CA LYS A 22 24.677 16.033 6.153 1.00 0.00 C ATOM 342 C LYS A 22 23.550 16.012 7.191 1.00 0.00 C ATOM 343 O LYS A 22 23.712 15.468 8.281 1.00 0.00 O ATOM 344 CB LYS A 22 24.519 14.810 5.206 1.00 0.00 C ATOM 345 CG LYS A 22 25.520 14.777 4.038 1.00 0.00 C ATOM 346 CD LYS A 22 25.330 15.953 3.063 1.00 0.00 C ATOM 347 CE LYS A 22 26.393 15.986 1.955 1.00 0.00 C ATOM 348 NZ LYS A 22 26.148 17.093 1.000 1.00 0.00 N ATOM 0 H LYS A 22 26.351 15.084 7.012 1.00 0.00 H new ATOM 0 HA LYS A 22 24.606 16.955 5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 22 24.631 13.897 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 22 23.507 14.808 4.801 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.535 14.798 4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 22 25.409 13.838 3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 22 24.341 15.887 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.363 16.889 3.620 1.00 0.00 H new ATOM 0 HE2 LYS A 22 27.381 16.101 2.401 1.00 0.00 H new ATOM 0 HE3 LYS A 22 26.393 15.036 1.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 26.884 17.087 0.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 25.215 16.969 0.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 26.173 18.001 1.507 1.00 0.00 H new ATOM 362 N TRP A 23 22.424 16.632 6.836 1.00 0.00 N ATOM 363 CA TRP A 23 21.167 16.509 7.584 1.00 0.00 C ATOM 364 C TRP A 23 20.659 15.069 7.441 1.00 0.00 C ATOM 365 O TRP A 23 20.302 14.643 6.336 1.00 0.00 O ATOM 366 CB TRP A 23 20.103 17.501 7.044 1.00 0.00 C ATOM 367 CG TRP A 23 20.375 18.947 7.369 1.00 0.00 C ATOM 368 CD1 TRP A 23 21.243 19.790 6.739 1.00 0.00 C ATOM 369 CD2 TRP A 23 19.762 19.712 8.410 1.00 0.00 C ATOM 370 NE1 TRP A 23 21.193 21.031 7.316 1.00 0.00 N ATOM 371 CE2 TRP A 23 20.289 21.011 8.342 1.00 0.00 C ATOM 372 CE3 TRP A 23 18.802 19.421 9.380 1.00 0.00 C ATOM 373 CZ2 TRP A 23 19.904 22.018 9.223 1.00 0.00 C ATOM 374 CZ3 TRP A 23 18.420 20.415 10.254 1.00 0.00 C ATOM 375 CH2 TRP A 23 18.964 21.706 10.166 1.00 0.00 C ATOM 0 H TRP A 23 22.355 17.237 6.018 1.00 0.00 H new ATOM 0 HA TRP A 23 21.344 16.747 8.633 1.00 0.00 H new ATOM 0 HB2 TRP A 23 20.038 17.391 5.961 1.00 0.00 H new ATOM 0 HB3 TRP A 23 19.130 17.227 7.451 1.00 0.00 H new ATOM 0 HD1 TRP A 23 21.876 19.519 5.907 1.00 0.00 H new ATOM 0 HE1 TRP A 23 21.742 21.841 7.027 1.00 0.00 H new ATOM 0 HE3 TRP A 23 18.367 18.435 9.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 20.332 23.008 9.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 17.690 20.197 11.020 1.00 0.00 H new ATOM 0 HH2 TRP A 23 18.634 22.468 10.857 1.00 0.00 H new ATOM 386 N GLU A 24 20.651 14.326 8.551 1.00 0.00 N ATOM 387 CA GLU A 24 20.284 12.908 8.555 1.00 0.00 C ATOM 388 C GLU A 24 19.374 12.634 9.755 1.00 0.00 C ATOM 389 O GLU A 24 19.670 13.046 10.866 1.00 0.00 O ATOM 390 CB GLU A 24 21.569 12.045 8.595 1.00 0.00 C ATOM 391 CG GLU A 24 21.327 10.538 8.437 1.00 0.00 C ATOM 392 CD GLU A 24 22.629 9.747 8.231 1.00 0.00 C ATOM 393 OE1 GLU A 24 23.321 9.448 9.216 1.00 0.00 O ATOM 394 OE2 GLU A 24 22.979 9.448 7.078 1.00 0.00 O ATOM 0 H GLU A 24 20.899 14.690 9.471 1.00 0.00 H new ATOM 0 HA GLU A 24 19.738 12.648 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 24 22.240 12.378 7.803 1.00 0.00 H new ATOM 0 HB3 GLU A 24 22.081 12.221 9.541 1.00 0.00 H new ATOM 0 HG2 GLU A 24 20.814 10.162 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 24 20.665 10.367 7.588 1.00 0.00 H new ATOM 401 N TYR A 25 18.270 11.935 9.507 1.00 0.00 N ATOM 402 CA TYR A 25 17.176 11.744 10.459 1.00 0.00 C ATOM 403 C TYR A 25 17.010 10.247 10.740 1.00 0.00 C ATOM 404 O TYR A 25 16.837 9.451 9.808 1.00 0.00 O ATOM 405 CB TYR A 25 15.862 12.340 9.870 1.00 0.00 C ATOM 406 CG TYR A 25 15.842 13.879 9.750 1.00 0.00 C ATOM 407 CD1 TYR A 25 16.631 14.554 8.808 1.00 0.00 C ATOM 408 CD2 TYR A 25 15.024 14.656 10.579 1.00 0.00 C ATOM 409 CE1 TYR A 25 16.607 15.933 8.711 1.00 0.00 C ATOM 410 CE2 TYR A 25 14.998 16.032 10.477 1.00 0.00 C ATOM 411 CZ TYR A 25 15.791 16.665 9.546 1.00 0.00 C ATOM 412 OH TYR A 25 15.768 18.038 9.452 1.00 0.00 O ATOM 0 H TYR A 25 18.106 11.472 8.613 1.00 0.00 H new ATOM 0 HA TYR A 25 17.401 12.257 11.394 1.00 0.00 H new ATOM 0 HB2 TYR A 25 15.697 11.911 8.882 1.00 0.00 H new ATOM 0 HB3 TYR A 25 15.026 12.028 10.496 1.00 0.00 H new ATOM 0 HD1 TYR A 25 17.269 13.987 8.146 1.00 0.00 H new ATOM 0 HD2 TYR A 25 14.400 14.168 11.314 1.00 0.00 H new ATOM 0 HE1 TYR A 25 17.226 16.435 7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.357 16.611 11.126 1.00 0.00 H new ATOM 0 HH TYR A 25 16.112 18.312 8.576 1.00 0.00 H new ATOM 422 N LEU A 26 17.097 9.876 12.025 1.00 0.00 N ATOM 423 CA LEU A 26 16.792 8.523 12.474 1.00 0.00 C ATOM 424 C LEU A 26 15.264 8.353 12.427 1.00 0.00 C ATOM 425 O LEU A 26 14.550 9.017 13.174 1.00 0.00 O ATOM 426 CB LEU A 26 17.339 8.283 13.916 1.00 0.00 C ATOM 427 CG LEU A 26 17.524 6.790 14.325 1.00 0.00 C ATOM 428 CD1 LEU A 26 18.544 6.087 13.406 1.00 0.00 C ATOM 429 CD2 LEU A 26 17.929 6.658 15.812 1.00 0.00 C ATOM 0 H LEU A 26 17.380 10.507 12.775 1.00 0.00 H new ATOM 0 HA LEU A 26 17.272 7.789 11.827 1.00 0.00 H new ATOM 0 HB2 LEU A 26 18.300 8.789 14.010 1.00 0.00 H new ATOM 0 HB3 LEU A 26 16.660 8.754 14.626 1.00 0.00 H new ATOM 0 HG LEU A 26 16.562 6.292 14.202 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.654 5.047 13.713 1.00 0.00 H new ATOM 0 HD12 LEU A 26 18.192 6.126 12.375 1.00 0.00 H new ATOM 0 HD13 LEU A 26 19.508 6.591 13.479 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.050 5.604 16.064 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.870 7.182 15.981 1.00 0.00 H new ATOM 0 HD23 LEU A 26 17.153 7.095 16.441 1.00 0.00 H new ATOM 441 N ILE A 27 14.783 7.556 11.472 1.00 0.00 N ATOM 442 CA ILE A 27 13.355 7.240 11.301 1.00 0.00 C ATOM 443 C ILE A 27 13.146 5.755 11.642 1.00 0.00 C ATOM 444 O ILE A 27 14.063 4.954 11.486 1.00 0.00 O ATOM 445 CB ILE A 27 12.870 7.484 9.807 1.00 0.00 C ATOM 446 CG1 ILE A 27 13.448 8.807 9.198 1.00 0.00 C ATOM 447 CG2 ILE A 27 11.322 7.469 9.706 1.00 0.00 C ATOM 448 CD1 ILE A 27 12.967 10.081 9.858 1.00 0.00 C ATOM 0 H ILE A 27 15.381 7.102 10.781 1.00 0.00 H new ATOM 0 HA ILE A 27 12.778 7.892 11.958 1.00 0.00 H new ATOM 0 HB ILE A 27 13.263 6.657 9.217 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.536 8.772 9.260 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.190 8.845 8.140 1.00 0.00 H new ATOM 0 HG21 ILE A 27 11.023 7.639 8.672 1.00 0.00 H new ATOM 0 HG22 ILE A 27 10.945 6.502 10.039 1.00 0.00 H new ATOM 0 HG23 ILE A 27 10.909 8.256 10.337 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.423 10.940 9.366 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.882 10.148 9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 27 13.249 10.074 10.911 1.00 0.00 H new ATOM 460 N ARG A 28 11.944 5.399 12.113 1.00 0.00 N ATOM 461 CA ARG A 28 11.511 3.993 12.213 1.00 0.00 C ATOM 462 C ARG A 28 10.246 3.817 11.376 1.00 0.00 C ATOM 463 O ARG A 28 9.341 4.675 11.431 1.00 0.00 O ATOM 464 CB ARG A 28 11.259 3.574 13.688 1.00 0.00 C ATOM 465 CG ARG A 28 10.205 4.422 14.452 1.00 0.00 C ATOM 466 CD ARG A 28 10.033 3.976 15.919 1.00 0.00 C ATOM 467 NE ARG A 28 11.340 3.947 16.625 1.00 0.00 N ATOM 468 CZ ARG A 28 11.544 3.979 17.948 1.00 0.00 C ATOM 469 NH1 ARG A 28 10.533 4.066 18.800 1.00 0.00 N ATOM 470 NH2 ARG A 28 12.787 3.928 18.409 1.00 0.00 N ATOM 0 H ARG A 28 11.246 6.070 12.434 1.00 0.00 H new ATOM 0 HA ARG A 28 12.303 3.347 11.834 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.941 2.532 13.702 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.204 3.626 14.229 1.00 0.00 H new ATOM 0 HG2 ARG A 28 10.501 5.471 14.428 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.246 4.350 13.940 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.354 4.657 16.432 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.577 2.987 15.951 1.00 0.00 H new ATOM 0 HE ARG A 28 12.173 3.897 16.038 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.575 4.110 18.452 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.713 4.089 19.804 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.570 3.865 17.758 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.960 3.951 19.414 1.00 0.00 H new ATOM 484 N TRP A 29 10.199 2.741 10.561 1.00 0.00 N ATOM 485 CA TRP A 29 8.985 2.372 9.821 1.00 0.00 C ATOM 486 C TRP A 29 8.246 1.200 10.493 1.00 0.00 C ATOM 487 O TRP A 29 8.844 0.327 11.162 1.00 0.00 O ATOM 488 CB TRP A 29 9.247 2.142 8.297 1.00 0.00 C ATOM 489 CG TRP A 29 10.227 1.061 7.888 1.00 0.00 C ATOM 490 CD1 TRP A 29 10.088 -0.288 8.046 1.00 0.00 C ATOM 491 CD2 TRP A 29 11.455 1.248 7.165 1.00 0.00 C ATOM 492 NE1 TRP A 29 11.160 -0.940 7.497 1.00 0.00 N ATOM 493 CE2 TRP A 29 12.008 -0.022 6.946 1.00 0.00 C ATOM 494 CE3 TRP A 29 12.138 2.370 6.686 1.00 0.00 C ATOM 495 CZ2 TRP A 29 13.212 -0.205 6.275 1.00 0.00 C ATOM 496 CZ3 TRP A 29 13.332 2.189 6.020 1.00 0.00 C ATOM 497 CH2 TRP A 29 13.855 0.909 5.814 1.00 0.00 C ATOM 0 H TRP A 29 10.990 2.117 10.403 1.00 0.00 H new ATOM 0 HA TRP A 29 8.314 3.230 9.866 1.00 0.00 H new ATOM 0 HB2 TRP A 29 8.290 1.918 7.826 1.00 0.00 H new ATOM 0 HB3 TRP A 29 9.597 3.084 7.875 1.00 0.00 H new ATOM 0 HD1 TRP A 29 9.254 -0.771 8.533 1.00 0.00 H new ATOM 0 HE1 TRP A 29 11.302 -1.950 7.499 1.00 0.00 H new ATOM 0 HE3 TRP A 29 11.737 3.362 6.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 13.624 -1.192 6.124 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 13.871 3.049 5.652 1.00 0.00 H new ATOM 0 HH2 TRP A 29 14.787 0.798 5.279 1.00 0.00 H new ATOM 508 N LYS A 30 6.929 1.195 10.270 1.00 0.00 N ATOM 509 CA LYS A 30 5.976 0.404 11.035 1.00 0.00 C ATOM 510 C LYS A 30 5.989 -1.053 10.556 1.00 0.00 C ATOM 511 O LYS A 30 6.080 -1.317 9.349 1.00 0.00 O ATOM 512 CB LYS A 30 4.567 1.054 10.918 1.00 0.00 C ATOM 513 CG LYS A 30 3.559 0.600 12.007 1.00 0.00 C ATOM 514 CD LYS A 30 2.286 1.483 12.084 1.00 0.00 C ATOM 515 CE LYS A 30 1.507 1.530 10.762 1.00 0.00 C ATOM 516 NZ LYS A 30 1.067 0.178 10.314 1.00 0.00 N ATOM 0 H LYS A 30 6.492 1.754 9.537 1.00 0.00 H new ATOM 0 HA LYS A 30 6.256 0.391 12.088 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.675 2.137 10.969 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.153 0.821 9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.264 -0.431 11.810 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.056 0.609 12.977 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.634 1.103 12.870 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.570 2.496 12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.634 2.173 10.880 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.132 1.980 9.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.494 -0.038 9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.369 -0.534 11.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.031 0.161 10.228 1.00 0.00 H new ATOM 530 N GLY A 31 5.877 -1.978 11.515 1.00 0.00 N ATOM 531 CA GLY A 31 6.100 -3.402 11.282 1.00 0.00 C ATOM 532 C GLY A 31 7.416 -3.862 11.898 1.00 0.00 C ATOM 533 O GLY A 31 7.580 -5.049 12.204 1.00 0.00 O ATOM 0 H GLY A 31 5.628 -1.755 12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.276 -3.976 11.707 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.108 -3.601 10.210 1.00 0.00 H new ATOM 537 N TYR A 32 8.368 -2.916 12.079 1.00 0.00 N ATOM 538 CA TYR A 32 9.673 -3.198 12.708 1.00 0.00 C ATOM 539 C TYR A 32 9.767 -2.476 14.067 1.00 0.00 C ATOM 540 O TYR A 32 9.861 -3.119 15.123 1.00 0.00 O ATOM 541 CB TYR A 32 10.824 -2.760 11.777 1.00 0.00 C ATOM 542 CG TYR A 32 10.997 -3.578 10.483 1.00 0.00 C ATOM 543 CD1 TYR A 32 10.061 -3.505 9.445 1.00 0.00 C ATOM 544 CD2 TYR A 32 12.106 -4.406 10.294 1.00 0.00 C ATOM 545 CE1 TYR A 32 10.227 -4.223 8.277 1.00 0.00 C ATOM 546 CE2 TYR A 32 12.275 -5.121 9.121 1.00 0.00 C ATOM 547 CZ TYR A 32 11.333 -5.026 8.122 1.00 0.00 C ATOM 548 OH TYR A 32 11.507 -5.732 6.952 1.00 0.00 O ATOM 0 H TYR A 32 8.251 -1.944 11.794 1.00 0.00 H new ATOM 0 HA TYR A 32 9.761 -4.271 12.876 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.667 -1.716 11.505 1.00 0.00 H new ATOM 0 HB3 TYR A 32 11.757 -2.806 12.339 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.192 -2.875 9.560 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.845 -4.490 11.077 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.492 -4.154 7.489 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.142 -5.751 8.990 1.00 0.00 H new ATOM 0 HH TYR A 32 12.338 -6.249 7.003 1.00 0.00 H new ATOM 558 N GLY A 33 9.737 -1.137 14.025 1.00 0.00 N ATOM 559 CA GLY A 33 9.769 -0.311 15.237 1.00 0.00 C ATOM 560 C GLY A 33 11.173 0.111 15.648 1.00 0.00 C ATOM 561 O GLY A 33 11.925 0.627 14.825 1.00 0.00 O ATOM 0 H GLY A 33 9.690 -0.601 13.158 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.163 0.580 15.076 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.310 -0.864 16.056 1.00 0.00 H new ATOM 565 N SER A 34 11.523 -0.092 16.935 1.00 0.00 N ATOM 566 CA SER A 34 12.838 0.305 17.488 1.00 0.00 C ATOM 567 C SER A 34 13.989 -0.446 16.780 1.00 0.00 C ATOM 568 O SER A 34 14.994 0.163 16.376 1.00 0.00 O ATOM 569 CB SER A 34 12.882 0.048 19.010 1.00 0.00 C ATOM 570 OG SER A 34 11.838 0.734 19.683 1.00 0.00 O ATOM 0 H SER A 34 10.907 -0.533 17.618 1.00 0.00 H new ATOM 0 HA SER A 34 12.971 1.372 17.309 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.799 -1.022 19.202 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.845 0.369 19.407 1.00 0.00 H new ATOM 0 HG SER A 34 11.892 0.550 20.644 1.00 0.00 H new ATOM 576 N THR A 35 13.786 -1.766 16.570 1.00 0.00 N ATOM 577 CA THR A 35 14.768 -2.658 15.908 1.00 0.00 C ATOM 578 C THR A 35 15.103 -2.176 14.477 1.00 0.00 C ATOM 579 O THR A 35 16.144 -2.543 13.920 1.00 0.00 O ATOM 580 CB THR A 35 14.227 -4.127 15.863 1.00 0.00 C ATOM 581 OG1 THR A 35 15.225 -5.036 15.363 1.00 0.00 O ATOM 582 CG2 THR A 35 12.949 -4.253 15.008 1.00 0.00 C ATOM 0 H THR A 35 12.933 -2.246 16.856 1.00 0.00 H new ATOM 0 HA THR A 35 15.685 -2.629 16.496 1.00 0.00 H new ATOM 0 HB THR A 35 13.979 -4.392 16.891 1.00 0.00 H new ATOM 0 HG1 THR A 35 14.861 -5.946 15.347 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.612 -5.290 15.007 1.00 0.00 H new ATOM 0 HG22 THR A 35 12.168 -3.618 15.426 1.00 0.00 H new ATOM 0 HG23 THR A 35 13.163 -3.940 13.986 1.00 0.00 H new ATOM 590 N GLU A 36 14.206 -1.348 13.910 1.00 0.00 N ATOM 591 CA GLU A 36 14.404 -0.722 12.609 1.00 0.00 C ATOM 592 C GLU A 36 15.480 0.371 12.751 1.00 0.00 C ATOM 593 O GLU A 36 16.617 0.156 12.333 1.00 0.00 O ATOM 594 CB GLU A 36 13.052 -0.132 12.089 1.00 0.00 C ATOM 595 CG GLU A 36 12.901 -0.033 10.560 1.00 0.00 C ATOM 596 CD GLU A 36 13.843 0.977 9.915 1.00 0.00 C ATOM 597 OE1 GLU A 36 13.583 2.186 10.053 1.00 0.00 O ATOM 598 OE2 GLU A 36 14.856 0.558 9.296 1.00 0.00 O ATOM 0 H GLU A 36 13.321 -1.099 14.352 1.00 0.00 H new ATOM 0 HA GLU A 36 14.742 -1.457 11.879 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.238 -0.746 12.475 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.927 0.865 12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 36 13.080 -1.015 10.122 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.873 0.239 10.322 1.00 0.00 H new ATOM 605 N ASP A 37 15.107 1.442 13.487 1.00 0.00 N ATOM 606 CA ASP A 37 15.759 2.785 13.480 1.00 0.00 C ATOM 607 C ASP A 37 16.853 2.974 12.391 1.00 0.00 C ATOM 608 O ASP A 37 18.040 2.688 12.627 1.00 0.00 O ATOM 609 CB ASP A 37 16.307 3.128 14.907 1.00 0.00 C ATOM 610 CG ASP A 37 15.217 3.356 15.987 1.00 0.00 C ATOM 611 OD1 ASP A 37 14.036 3.022 15.764 1.00 0.00 O ATOM 612 OD2 ASP A 37 15.547 3.884 17.077 1.00 0.00 O ATOM 0 H ASP A 37 14.315 1.400 14.128 1.00 0.00 H new ATOM 0 HA ASP A 37 14.977 3.494 13.207 1.00 0.00 H new ATOM 0 HB2 ASP A 37 16.959 2.318 15.235 1.00 0.00 H new ATOM 0 HB3 ASP A 37 16.923 4.025 14.838 1.00 0.00 H new ATOM 617 N THR A 38 16.437 3.438 11.195 1.00 0.00 N ATOM 618 CA THR A 38 17.345 3.691 10.065 1.00 0.00 C ATOM 619 C THR A 38 17.666 5.178 10.000 1.00 0.00 C ATOM 620 O THR A 38 16.861 6.010 10.391 1.00 0.00 O ATOM 621 CB THR A 38 16.727 3.236 8.698 1.00 0.00 C ATOM 622 OG1 THR A 38 17.716 3.316 7.651 1.00 0.00 O ATOM 623 CG2 THR A 38 15.499 4.068 8.286 1.00 0.00 C ATOM 0 H THR A 38 15.460 3.647 10.988 1.00 0.00 H new ATOM 0 HA THR A 38 18.251 3.109 10.231 1.00 0.00 H new ATOM 0 HB THR A 38 16.399 2.206 8.839 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.397 3.915 6.945 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.117 3.705 7.332 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.724 3.974 9.047 1.00 0.00 H new ATOM 0 HG23 THR A 38 15.785 5.115 8.187 1.00 0.00 H new ATOM 631 N TRP A 39 18.851 5.504 9.509 1.00 0.00 N ATOM 632 CA TRP A 39 19.303 6.888 9.350 1.00 0.00 C ATOM 633 C TRP A 39 19.146 7.284 7.872 1.00 0.00 C ATOM 634 O TRP A 39 20.000 6.996 7.033 1.00 0.00 O ATOM 635 CB TRP A 39 20.764 7.043 9.894 1.00 0.00 C ATOM 636 CG TRP A 39 21.732 5.964 9.434 1.00 0.00 C ATOM 637 CD1 TRP A 39 22.616 6.026 8.391 1.00 0.00 C ATOM 638 CD2 TRP A 39 21.889 4.657 10.008 1.00 0.00 C ATOM 639 NE1 TRP A 39 23.295 4.841 8.279 1.00 0.00 N ATOM 640 CE2 TRP A 39 22.866 3.987 9.258 1.00 0.00 C ATOM 641 CE3 TRP A 39 21.283 3.987 11.080 1.00 0.00 C ATOM 642 CZ2 TRP A 39 23.268 2.686 9.551 1.00 0.00 C ATOM 643 CZ3 TRP A 39 21.676 2.697 11.367 1.00 0.00 C ATOM 644 CH2 TRP A 39 22.658 2.055 10.602 1.00 0.00 C ATOM 0 H TRP A 39 19.537 4.813 9.205 1.00 0.00 H new ATOM 0 HA TRP A 39 18.695 7.574 9.939 1.00 0.00 H new ATOM 0 HB2 TRP A 39 21.151 8.014 9.585 1.00 0.00 H new ATOM 0 HB3 TRP A 39 20.733 7.044 10.984 1.00 0.00 H new ATOM 0 HD1 TRP A 39 22.758 6.884 7.750 1.00 0.00 H new ATOM 0 HE1 TRP A 39 24.006 4.630 7.579 1.00 0.00 H new ATOM 0 HE3 TRP A 39 20.521 4.473 11.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 24.033 2.193 8.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 21.220 2.174 12.194 1.00 0.00 H new ATOM 0 HH2 TRP A 39 22.940 1.041 10.846 1.00 0.00 H new ATOM 655 N GLU A 40 17.978 7.866 7.549 1.00 0.00 N ATOM 656 CA GLU A 40 17.662 8.365 6.199 1.00 0.00 C ATOM 657 C GLU A 40 18.144 9.808 6.086 1.00 0.00 C ATOM 658 O GLU A 40 18.004 10.553 7.049 1.00 0.00 O ATOM 659 CB GLU A 40 16.129 8.310 5.928 1.00 0.00 C ATOM 660 CG GLU A 40 15.514 6.897 5.931 1.00 0.00 C ATOM 661 CD GLU A 40 16.158 5.942 4.901 1.00 0.00 C ATOM 662 OE1 GLU A 40 15.861 6.056 3.691 1.00 0.00 O ATOM 663 OE2 GLU A 40 16.982 5.079 5.290 1.00 0.00 O ATOM 0 H GLU A 40 17.223 8.004 8.220 1.00 0.00 H new ATOM 0 HA GLU A 40 18.162 7.735 5.463 1.00 0.00 H new ATOM 0 HB2 GLU A 40 15.621 8.912 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 40 15.930 8.774 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 40 15.617 6.467 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 40 14.446 6.974 5.725 1.00 0.00 H new ATOM 670 N PRO A 41 18.695 10.256 4.917 1.00 0.00 N ATOM 671 CA PRO A 41 19.078 11.671 4.740 1.00 0.00 C ATOM 672 C PRO A 41 17.814 12.537 4.636 1.00 0.00 C ATOM 673 O PRO A 41 16.708 12.000 4.508 1.00 0.00 O ATOM 674 CB PRO A 41 19.895 11.653 3.434 1.00 0.00 C ATOM 675 CG PRO A 41 19.319 10.511 2.653 1.00 0.00 C ATOM 676 CD PRO A 41 18.948 9.460 3.685 1.00 0.00 C ATOM 0 HA PRO A 41 19.651 12.093 5.566 1.00 0.00 H new ATOM 0 HB2 PRO A 41 19.800 12.594 2.892 1.00 0.00 H new ATOM 0 HB3 PRO A 41 20.957 11.505 3.631 1.00 0.00 H new ATOM 0 HG2 PRO A 41 18.445 10.827 2.083 1.00 0.00 H new ATOM 0 HG3 PRO A 41 20.043 10.120 1.938 1.00 0.00 H new ATOM 0 HD2 PRO A 41 18.066 8.896 3.384 1.00 0.00 H new ATOM 0 HD3 PRO A 41 19.753 8.739 3.831 1.00 0.00 H new ATOM 684 N GLU A 42 17.960 13.863 4.704 1.00 0.00 N ATOM 685 CA GLU A 42 16.801 14.768 4.656 1.00 0.00 C ATOM 686 C GLU A 42 16.047 14.618 3.310 1.00 0.00 C ATOM 687 O GLU A 42 14.819 14.629 3.277 1.00 0.00 O ATOM 688 CB GLU A 42 17.245 16.228 4.904 1.00 0.00 C ATOM 689 CG GLU A 42 16.091 17.223 5.153 1.00 0.00 C ATOM 690 CD GLU A 42 16.587 18.637 5.491 1.00 0.00 C ATOM 691 OE1 GLU A 42 16.786 19.452 4.564 1.00 0.00 O ATOM 692 OE2 GLU A 42 16.794 18.935 6.688 1.00 0.00 O ATOM 0 H GLU A 42 18.860 14.334 4.792 1.00 0.00 H new ATOM 0 HA GLU A 42 16.108 14.494 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 42 17.915 16.248 5.764 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.820 16.569 4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.458 17.267 4.267 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.470 16.856 5.970 1.00 0.00 H new ATOM 699 N HIS A 43 16.799 14.383 2.216 1.00 0.00 N ATOM 700 CA HIS A 43 16.219 14.178 0.870 1.00 0.00 C ATOM 701 C HIS A 43 15.426 12.839 0.765 1.00 0.00 C ATOM 702 O HIS A 43 14.677 12.639 -0.197 1.00 0.00 O ATOM 703 CB HIS A 43 17.335 14.237 -0.209 1.00 0.00 C ATOM 704 CG HIS A 43 16.824 14.205 -1.630 1.00 0.00 C ATOM 705 ND1 HIS A 43 16.725 13.045 -2.375 1.00 0.00 N ATOM 706 CD2 HIS A 43 16.364 15.194 -2.426 1.00 0.00 C ATOM 707 CE1 HIS A 43 16.223 13.325 -3.561 1.00 0.00 C ATOM 708 NE2 HIS A 43 15.992 14.619 -3.616 1.00 0.00 N ATOM 0 H HIS A 43 17.817 14.330 2.238 1.00 0.00 H new ATOM 0 HA HIS A 43 15.507 14.985 0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 43 17.917 15.147 -0.064 1.00 0.00 H new ATOM 0 HB3 HIS A 43 18.014 13.397 -0.060 1.00 0.00 H new ATOM 0 HD2 HIS A 43 16.301 16.242 -2.174 1.00 0.00 H new ATOM 0 HE1 HIS A 43 16.034 12.614 -4.352 1.00 0.00 H new ATOM 0 HE2 HIS A 43 15.599 15.116 -4.415 1.00 0.00 H new ATOM 717 N HIS A 44 15.583 11.931 1.751 1.00 0.00 N ATOM 718 CA HIS A 44 14.857 10.631 1.784 1.00 0.00 C ATOM 719 C HIS A 44 14.181 10.385 3.144 1.00 0.00 C ATOM 720 O HIS A 44 13.786 9.248 3.418 1.00 0.00 O ATOM 721 CB HIS A 44 15.819 9.443 1.448 1.00 0.00 C ATOM 722 CG HIS A 44 16.195 9.295 -0.004 1.00 0.00 C ATOM 723 ND1 HIS A 44 17.339 8.650 -0.412 1.00 0.00 N ATOM 724 CD2 HIS A 44 15.554 9.660 -1.142 1.00 0.00 C ATOM 725 CE1 HIS A 44 17.388 8.620 -1.726 1.00 0.00 C ATOM 726 NE2 HIS A 44 16.317 9.228 -2.193 1.00 0.00 N ATOM 0 H HIS A 44 16.210 12.071 2.543 1.00 0.00 H new ATOM 0 HA HIS A 44 14.078 10.685 1.023 1.00 0.00 H new ATOM 0 HB2 HIS A 44 16.733 9.564 2.030 1.00 0.00 H new ATOM 0 HB3 HIS A 44 15.351 8.516 1.779 1.00 0.00 H new ATOM 0 HD2 HIS A 44 14.616 10.192 -1.207 1.00 0.00 H new ATOM 0 HE1 HIS A 44 18.172 8.174 -2.320 1.00 0.00 H new ATOM 0 HE2 HIS A 44 16.092 9.356 -3.180 1.00 0.00 H new ATOM 735 N LEU A 45 14.026 11.433 3.996 1.00 0.00 N ATOM 736 CA LEU A 45 13.362 11.234 5.310 1.00 0.00 C ATOM 737 C LEU A 45 11.833 11.116 5.103 1.00 0.00 C ATOM 738 O LEU A 45 11.206 10.189 5.624 1.00 0.00 O ATOM 739 CB LEU A 45 13.723 12.349 6.370 1.00 0.00 C ATOM 740 CG LEU A 45 12.690 13.524 6.608 1.00 0.00 C ATOM 741 CD1 LEU A 45 12.793 14.089 8.022 1.00 0.00 C ATOM 742 CD2 LEU A 45 12.822 14.664 5.571 1.00 0.00 C ATOM 0 H LEU A 45 14.337 12.386 3.808 1.00 0.00 H new ATOM 0 HA LEU A 45 13.743 10.304 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 45 13.890 11.855 7.327 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.671 12.796 6.072 1.00 0.00 H new ATOM 0 HG LEU A 45 11.704 13.078 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.068 14.893 8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.587 13.300 8.745 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.798 14.478 8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.087 15.439 5.787 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.824 15.089 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.648 14.268 4.571 1.00 0.00 H new ATOM 754 N LEU A 46 11.294 12.059 4.280 1.00 0.00 N ATOM 755 CA LEU A 46 9.842 12.295 4.031 1.00 0.00 C ATOM 756 C LEU A 46 9.673 13.591 3.220 1.00 0.00 C ATOM 757 O LEU A 46 10.612 14.369 3.067 1.00 0.00 O ATOM 758 CB LEU A 46 9.000 12.440 5.350 1.00 0.00 C ATOM 759 CG LEU A 46 8.376 11.141 5.936 1.00 0.00 C ATOM 760 CD1 LEU A 46 7.636 11.447 7.236 1.00 0.00 C ATOM 761 CD2 LEU A 46 7.469 10.432 4.899 1.00 0.00 C ATOM 0 H LEU A 46 11.883 12.702 3.750 1.00 0.00 H new ATOM 0 HA LEU A 46 9.474 11.422 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.640 12.883 6.113 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.193 13.148 5.161 1.00 0.00 H new ATOM 0 HG LEU A 46 9.182 10.445 6.170 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.205 10.528 7.634 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.333 11.865 7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.841 12.166 7.041 1.00 0.00 H new ATOM 0 HD21 LEU A 46 7.049 9.528 5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.661 11.101 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 46 8.058 10.167 4.021 1.00 0.00 H new ATOM 773 N HIS A 47 8.442 13.814 2.722 1.00 0.00 N ATOM 774 CA HIS A 47 7.994 15.116 2.169 1.00 0.00 C ATOM 775 C HIS A 47 7.043 15.808 3.176 1.00 0.00 C ATOM 776 O HIS A 47 6.815 17.024 3.100 1.00 0.00 O ATOM 777 CB HIS A 47 7.271 14.907 0.812 1.00 0.00 C ATOM 778 CG HIS A 47 8.135 14.311 -0.265 1.00 0.00 C ATOM 779 ND1 HIS A 47 8.587 15.034 -1.343 1.00 0.00 N ATOM 780 CD2 HIS A 47 8.612 13.054 -0.439 1.00 0.00 C ATOM 781 CE1 HIS A 47 9.298 14.258 -2.128 1.00 0.00 C ATOM 782 NE2 HIS A 47 9.337 13.051 -1.605 1.00 0.00 N ATOM 0 H HIS A 47 7.721 13.093 2.690 1.00 0.00 H new ATOM 0 HA HIS A 47 8.866 15.749 2.003 1.00 0.00 H new ATOM 0 HB2 HIS A 47 6.408 14.259 0.969 1.00 0.00 H new ATOM 0 HB3 HIS A 47 6.889 15.867 0.465 1.00 0.00 H new ATOM 0 HD2 HIS A 47 8.452 12.212 0.217 1.00 0.00 H new ATOM 0 HE1 HIS A 47 9.772 14.560 -3.050 1.00 0.00 H new ATOM 0 HE2 HIS A 47 9.825 12.247 -2.000 1.00 0.00 H new ATOM 791 N CYS A 48 6.506 15.004 4.125 1.00 0.00 N ATOM 792 CA CYS A 48 5.500 15.441 5.109 1.00 0.00 C ATOM 793 C CYS A 48 6.188 16.138 6.293 1.00 0.00 C ATOM 794 O CYS A 48 6.737 15.469 7.180 1.00 0.00 O ATOM 795 CB CYS A 48 4.659 14.233 5.606 1.00 0.00 C ATOM 796 SG CYS A 48 3.689 13.413 4.316 1.00 0.00 S ATOM 0 H CYS A 48 6.766 14.023 4.225 1.00 0.00 H new ATOM 0 HA CYS A 48 4.827 16.150 4.626 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.329 13.502 6.059 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.983 14.575 6.390 1.00 0.00 H new ATOM 0 HG CYS A 48 3.028 12.421 4.835 1.00 0.00 H new ATOM 802 N GLU A 49 6.138 17.486 6.299 1.00 0.00 N ATOM 803 CA GLU A 49 6.804 18.328 7.319 1.00 0.00 C ATOM 804 C GLU A 49 6.157 18.147 8.719 1.00 0.00 C ATOM 805 O GLU A 49 6.765 18.477 9.742 1.00 0.00 O ATOM 806 CB GLU A 49 6.753 19.824 6.886 1.00 0.00 C ATOM 807 CG GLU A 49 7.566 20.791 7.776 1.00 0.00 C ATOM 808 CD GLU A 49 7.489 22.262 7.317 1.00 0.00 C ATOM 809 OE1 GLU A 49 6.450 22.915 7.556 1.00 0.00 O ATOM 810 OE2 GLU A 49 8.461 22.771 6.711 1.00 0.00 O ATOM 0 H GLU A 49 5.633 18.025 5.595 1.00 0.00 H new ATOM 0 HA GLU A 49 7.844 18.010 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.119 19.903 5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.713 20.149 6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.204 20.719 8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.609 20.475 7.783 1.00 0.00 H new ATOM 817 N GLU A 50 4.914 17.626 8.728 1.00 0.00 N ATOM 818 CA GLU A 50 4.143 17.339 9.955 1.00 0.00 C ATOM 819 C GLU A 50 4.915 16.418 10.938 1.00 0.00 C ATOM 820 O GLU A 50 4.953 16.694 12.143 1.00 0.00 O ATOM 821 CB GLU A 50 2.753 16.753 9.568 1.00 0.00 C ATOM 822 CG GLU A 50 2.816 15.536 8.625 1.00 0.00 C ATOM 823 CD GLU A 50 1.459 15.142 8.021 1.00 0.00 C ATOM 824 OE1 GLU A 50 1.016 15.816 7.065 1.00 0.00 O ATOM 825 OE2 GLU A 50 0.824 14.179 8.497 1.00 0.00 O ATOM 0 H GLU A 50 4.411 17.390 7.873 1.00 0.00 H new ATOM 0 HA GLU A 50 3.990 18.274 10.493 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.227 16.465 10.478 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.162 17.536 9.093 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.513 15.752 7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.219 14.685 9.174 1.00 0.00 H new ATOM 832 N PHE A 51 5.581 15.370 10.410 1.00 0.00 N ATOM 833 CA PHE A 51 6.403 14.447 11.231 1.00 0.00 C ATOM 834 C PHE A 51 7.633 15.182 11.804 1.00 0.00 C ATOM 835 O PHE A 51 8.000 14.971 12.961 1.00 0.00 O ATOM 836 CB PHE A 51 6.857 13.209 10.415 1.00 0.00 C ATOM 837 CG PHE A 51 5.740 12.228 10.053 1.00 0.00 C ATOM 838 CD1 PHE A 51 4.818 12.535 9.055 1.00 0.00 C ATOM 839 CD2 PHE A 51 5.630 10.991 10.692 1.00 0.00 C ATOM 840 CE1 PHE A 51 3.818 11.645 8.715 1.00 0.00 C ATOM 841 CE2 PHE A 51 4.630 10.100 10.347 1.00 0.00 C ATOM 842 CZ PHE A 51 3.726 10.427 9.358 1.00 0.00 C ATOM 0 H PHE A 51 5.567 15.139 9.417 1.00 0.00 H new ATOM 0 HA PHE A 51 5.780 14.098 12.055 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.330 13.553 9.495 1.00 0.00 H new ATOM 0 HB3 PHE A 51 7.618 12.676 10.985 1.00 0.00 H new ATOM 0 HD1 PHE A 51 4.886 13.482 8.540 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.335 10.727 11.466 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.107 11.903 7.944 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.557 9.148 10.852 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.947 9.730 9.087 1.00 0.00 H new ATOM 852 N ILE A 52 8.233 16.080 10.989 1.00 0.00 N ATOM 853 CA ILE A 52 9.381 16.928 11.404 1.00 0.00 C ATOM 854 C ILE A 52 8.946 17.823 12.586 1.00 0.00 C ATOM 855 O ILE A 52 9.681 17.991 13.571 1.00 0.00 O ATOM 856 CB ILE A 52 9.945 17.814 10.201 1.00 0.00 C ATOM 857 CG1 ILE A 52 10.626 16.935 9.087 1.00 0.00 C ATOM 858 CG2 ILE A 52 10.928 18.906 10.697 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.692 16.069 8.251 1.00 0.00 C ATOM 0 H ILE A 52 7.937 16.239 10.026 1.00 0.00 H new ATOM 0 HA ILE A 52 10.195 16.273 11.715 1.00 0.00 H new ATOM 0 HB ILE A 52 9.081 18.310 9.758 1.00 0.00 H new ATOM 0 HG12 ILE A 52 11.173 17.596 8.415 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.361 16.286 9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.288 19.485 9.847 1.00 0.00 H new ATOM 0 HG22 ILE A 52 10.415 19.567 11.396 1.00 0.00 H new ATOM 0 HG23 ILE A 52 11.773 18.434 11.198 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.273 15.510 7.518 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.162 15.373 8.901 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.972 16.704 7.735 1.00 0.00 H new ATOM 871 N ASP A 53 7.693 18.307 12.509 1.00 0.00 N ATOM 872 CA ASP A 53 7.087 19.152 13.550 1.00 0.00 C ATOM 873 C ASP A 53 6.916 18.324 14.840 1.00 0.00 C ATOM 874 O ASP A 53 7.292 18.772 15.938 1.00 0.00 O ATOM 875 CB ASP A 53 5.737 19.713 13.033 1.00 0.00 C ATOM 876 CG ASP A 53 4.961 20.564 14.056 1.00 0.00 C ATOM 877 OD1 ASP A 53 5.500 21.589 14.519 1.00 0.00 O ATOM 878 OD2 ASP A 53 3.798 20.235 14.374 1.00 0.00 O ATOM 0 H ASP A 53 7.072 18.122 11.721 1.00 0.00 H new ATOM 0 HA ASP A 53 7.732 20.000 13.781 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.926 20.318 12.146 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.108 18.879 12.722 1.00 0.00 H new ATOM 883 N GLU A 54 6.469 17.057 14.659 1.00 0.00 N ATOM 884 CA GLU A 54 6.272 16.108 15.767 1.00 0.00 C ATOM 885 C GLU A 54 7.622 15.789 16.422 1.00 0.00 C ATOM 886 O GLU A 54 7.697 15.624 17.648 1.00 0.00 O ATOM 887 CB GLU A 54 5.589 14.803 15.275 1.00 0.00 C ATOM 888 CG GLU A 54 5.679 13.624 16.273 1.00 0.00 C ATOM 889 CD GLU A 54 4.783 12.442 15.907 1.00 0.00 C ATOM 890 OE1 GLU A 54 3.580 12.481 16.246 1.00 0.00 O ATOM 891 OE2 GLU A 54 5.268 11.480 15.273 1.00 0.00 O ATOM 0 H GLU A 54 6.238 16.672 13.743 1.00 0.00 H new ATOM 0 HA GLU A 54 5.614 16.570 16.503 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.539 15.011 15.070 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.044 14.501 14.332 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.713 13.282 16.326 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.409 13.979 17.267 1.00 0.00 H new ATOM 898 N PHE A 55 8.690 15.758 15.592 1.00 0.00 N ATOM 899 CA PHE A 55 10.045 15.460 16.052 1.00 0.00 C ATOM 900 C PHE A 55 10.478 16.536 17.059 1.00 0.00 C ATOM 901 O PHE A 55 10.949 16.208 18.151 1.00 0.00 O ATOM 902 CB PHE A 55 11.040 15.361 14.861 1.00 0.00 C ATOM 903 CG PHE A 55 12.503 15.427 15.279 1.00 0.00 C ATOM 904 CD1 PHE A 55 13.052 14.449 16.106 1.00 0.00 C ATOM 905 CD2 PHE A 55 13.311 16.496 14.897 1.00 0.00 C ATOM 906 CE1 PHE A 55 14.360 14.538 16.525 1.00 0.00 C ATOM 907 CE2 PHE A 55 14.619 16.572 15.312 1.00 0.00 C ATOM 908 CZ PHE A 55 15.143 15.599 16.133 1.00 0.00 C ATOM 0 H PHE A 55 8.626 15.940 14.590 1.00 0.00 H new ATOM 0 HA PHE A 55 10.051 14.487 16.544 1.00 0.00 H new ATOM 0 HB2 PHE A 55 10.865 14.426 14.329 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.835 16.170 14.159 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.445 13.613 16.421 1.00 0.00 H new ATOM 0 HD2 PHE A 55 12.905 17.274 14.268 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.773 13.772 17.164 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.238 17.398 14.993 1.00 0.00 H new ATOM 0 HZ PHE A 55 16.167 15.669 16.469 1.00 0.00 H new ATOM 918 N ASN A 56 10.209 17.812 16.716 1.00 0.00 N ATOM 919 CA ASN A 56 10.567 18.958 17.575 1.00 0.00 C ATOM 920 C ASN A 56 9.789 18.877 18.903 1.00 0.00 C ATOM 921 O ASN A 56 10.246 19.353 19.951 1.00 0.00 O ATOM 922 CB ASN A 56 10.281 20.286 16.826 1.00 0.00 C ATOM 923 CG ASN A 56 10.672 21.550 17.607 1.00 0.00 C ATOM 924 OD1 ASN A 56 11.564 21.533 18.455 1.00 0.00 O ATOM 925 ND2 ASN A 56 10.026 22.660 17.305 1.00 0.00 N ATOM 0 H ASN A 56 9.744 18.075 15.847 1.00 0.00 H new ATOM 0 HA ASN A 56 11.632 18.927 17.807 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.819 20.278 15.878 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.218 20.334 16.589 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.262 23.532 17.778 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.291 22.646 16.598 1.00 0.00 H new ATOM 932 N GLY A 57 8.619 18.224 18.839 1.00 0.00 N ATOM 933 CA GLY A 57 7.813 17.948 20.009 1.00 0.00 C ATOM 934 C GLY A 57 8.398 16.883 20.925 1.00 0.00 C ATOM 935 O GLY A 57 8.548 17.112 22.131 1.00 0.00 O ATOM 0 H GLY A 57 8.216 17.878 17.968 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.686 18.870 20.576 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.821 17.631 19.688 1.00 0.00 H new ATOM 939 N LEU A 58 8.779 15.724 20.347 1.00 0.00 N ATOM 940 CA LEU A 58 9.205 14.543 21.139 1.00 0.00 C ATOM 941 C LEU A 58 10.689 14.656 21.541 1.00 0.00 C ATOM 942 O LEU A 58 11.172 13.881 22.371 1.00 0.00 O ATOM 943 CB LEU A 58 8.879 13.205 20.378 1.00 0.00 C ATOM 944 CG LEU A 58 9.386 13.043 18.895 1.00 0.00 C ATOM 945 CD1 LEU A 58 10.906 12.781 18.786 1.00 0.00 C ATOM 946 CD2 LEU A 58 8.585 11.953 18.143 1.00 0.00 C ATOM 0 H LEU A 58 8.801 15.578 19.338 1.00 0.00 H new ATOM 0 HA LEU A 58 8.631 14.520 22.065 1.00 0.00 H new ATOM 0 HB2 LEU A 58 9.292 12.382 20.962 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.796 13.081 20.374 1.00 0.00 H new ATOM 0 HG LEU A 58 9.207 14.005 18.415 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.183 12.680 17.737 1.00 0.00 H new ATOM 0 HD12 LEU A 58 11.452 13.615 19.227 1.00 0.00 H new ATOM 0 HD13 LEU A 58 11.156 11.863 19.317 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.959 11.865 17.123 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.701 10.998 18.655 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.530 12.227 18.121 1.00 0.00 H new ATOM 958 N HIS A 59 11.397 15.634 20.947 1.00 0.00 N ATOM 959 CA HIS A 59 12.829 15.872 21.203 1.00 0.00 C ATOM 960 C HIS A 59 13.020 17.105 22.116 1.00 0.00 C ATOM 961 O HIS A 59 14.045 17.215 22.792 1.00 0.00 O ATOM 962 CB HIS A 59 13.578 16.061 19.853 1.00 0.00 C ATOM 963 CG HIS A 59 15.074 15.925 19.940 1.00 0.00 C ATOM 964 ND1 HIS A 59 15.942 16.957 19.679 1.00 0.00 N ATOM 965 CD2 HIS A 59 15.847 14.851 20.229 1.00 0.00 C ATOM 966 CE1 HIS A 59 17.182 16.526 19.798 1.00 0.00 C ATOM 967 NE2 HIS A 59 17.154 15.252 20.130 1.00 0.00 N ATOM 0 H HIS A 59 10.990 16.283 20.274 1.00 0.00 H new ATOM 0 HA HIS A 59 13.247 15.007 21.718 1.00 0.00 H new ATOM 0 HB2 HIS A 59 13.201 15.329 19.138 1.00 0.00 H new ATOM 0 HB3 HIS A 59 13.339 17.047 19.455 1.00 0.00 H new ATOM 0 HD2 HIS A 59 15.498 13.862 20.489 1.00 0.00 H new ATOM 0 HE1 HIS A 59 18.072 17.119 19.648 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.970 14.661 20.288 1.00 0.00 H new