USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 514 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 5 TYR OH : rot -145:sc= -0.657! USER MOD Set 1.2: A 65 TYR OH : rot -53:sc= 0.842 USER MOD Set 2.1: A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 171:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 0:sc= -6.12! USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot -23:sc= 0.15 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -151:sc= -0.624 (180deg=-2.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -9.16! C(o=-9.2!,f=-9.2!) USER MOD Single : A 36 ASN : amide:sc= -5.63! C(o=-5.6!,f=-11!) USER MOD Single : A 37 GLN : amide:sc= -0.385 K(o=-0.39,f=-3.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -148:sc= -0.179 (180deg=-1.5!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 159:sc= -3.08! USER MOD Single : A 57 THR OG1 : rot -37:sc= 0.378 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 64.822 -6.147 4.066 1.00 0.00 N ATOM 53 CA ASP A 4 63.633 -6.444 3.220 1.00 0.00 C ATOM 54 C ASP A 4 62.848 -5.157 2.986 1.00 0.00 C ATOM 55 O ASP A 4 62.023 -4.782 3.778 1.00 0.00 O ATOM 56 CB ASP A 4 62.853 -7.515 4.018 1.00 0.00 C ATOM 57 CG ASP A 4 61.416 -7.079 4.328 1.00 0.00 C ATOM 58 OD1 ASP A 4 60.576 -7.220 3.457 1.00 0.00 O ATOM 59 OD2 ASP A 4 61.184 -6.616 5.432 1.00 0.00 O ATOM 0 HA ASP A 4 63.869 -6.819 2.224 1.00 0.00 H new ATOM 0 HB2 ASP A 4 62.833 -8.445 3.450 1.00 0.00 H new ATOM 0 HB3 ASP A 4 63.377 -7.722 4.951 1.00 0.00 H new ATOM 64 N TYR A 5 63.138 -4.482 1.897 1.00 0.00 N ATOM 65 CA TYR A 5 62.456 -3.187 1.552 1.00 0.00 C ATOM 66 C TYR A 5 61.879 -2.511 2.800 1.00 0.00 C ATOM 67 O TYR A 5 62.470 -1.603 3.345 1.00 0.00 O ATOM 68 CB TYR A 5 61.351 -3.524 0.546 1.00 0.00 C ATOM 69 CG TYR A 5 61.070 -5.009 0.535 1.00 0.00 C ATOM 70 CD1 TYR A 5 61.989 -5.882 -0.059 1.00 0.00 C ATOM 71 CD2 TYR A 5 59.902 -5.506 1.115 1.00 0.00 C ATOM 72 CE1 TYR A 5 61.738 -7.257 -0.072 1.00 0.00 C ATOM 73 CE2 TYR A 5 59.649 -6.883 1.103 1.00 0.00 C ATOM 74 CZ TYR A 5 60.568 -7.759 0.508 1.00 0.00 C ATOM 75 OH TYR A 5 60.325 -9.116 0.498 1.00 0.00 O ATOM 0 H TYR A 5 63.836 -4.781 1.216 1.00 0.00 H new ATOM 0 HA TYR A 5 63.167 -2.480 1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.442 -2.979 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.649 -3.198 -0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 5 62.892 -5.493 -0.507 1.00 0.00 H new ATOM 0 HD2 TYR A 5 59.195 -4.830 1.572 1.00 0.00 H new ATOM 0 HE1 TYR A 5 62.447 -7.931 -0.529 1.00 0.00 H new ATOM 0 HE2 TYR A 5 58.746 -7.270 1.552 1.00 0.00 H new ATOM 0 HH TYR A 5 59.363 -9.275 0.396 1.00 0.00 H new ATOM 85 N TYR A 6 60.750 -2.954 3.288 1.00 0.00 N ATOM 86 CA TYR A 6 60.215 -2.335 4.529 1.00 0.00 C ATOM 87 C TYR A 6 61.365 -2.214 5.529 1.00 0.00 C ATOM 88 O TYR A 6 61.429 -1.292 6.318 1.00 0.00 O ATOM 89 CB TYR A 6 59.136 -3.277 5.028 1.00 0.00 C ATOM 90 CG TYR A 6 57.840 -2.947 4.328 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.138 -1.791 4.680 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.334 -3.801 3.340 1.00 0.00 C ATOM 93 CE1 TYR A 6 55.931 -1.487 4.048 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.125 -3.495 2.704 1.00 0.00 C ATOM 95 CZ TYR A 6 55.425 -2.335 3.063 1.00 0.00 C ATOM 96 OH TYR A 6 54.232 -2.026 2.451 1.00 0.00 O ATOM 0 H TYR A 6 60.186 -3.704 2.888 1.00 0.00 H new ATOM 0 HA TYR A 6 59.799 -1.339 4.375 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.418 -4.311 4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.018 -3.178 6.107 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.529 -1.133 5.441 1.00 0.00 H new ATOM 0 HD2 TYR A 6 57.876 -4.695 3.069 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.388 -0.594 4.322 1.00 0.00 H new ATOM 0 HE2 TYR A 6 55.733 -4.150 1.940 1.00 0.00 H new ATOM 0 HH TYR A 6 53.880 -1.191 2.823 1.00 0.00 H new ATOM 106 N GLU A 7 62.314 -3.117 5.450 1.00 0.00 N ATOM 107 CA GLU A 7 63.500 -3.031 6.337 1.00 0.00 C ATOM 108 C GLU A 7 64.545 -2.166 5.630 1.00 0.00 C ATOM 109 O GLU A 7 65.298 -1.441 6.249 1.00 0.00 O ATOM 110 CB GLU A 7 64.001 -4.466 6.508 1.00 0.00 C ATOM 111 CG GLU A 7 63.921 -4.862 7.985 1.00 0.00 C ATOM 112 CD GLU A 7 64.962 -4.073 8.783 1.00 0.00 C ATOM 113 OE1 GLU A 7 65.307 -2.983 8.355 1.00 0.00 O ATOM 114 OE2 GLU A 7 65.398 -4.571 9.808 1.00 0.00 O ATOM 0 H GLU A 7 62.311 -3.908 4.806 1.00 0.00 H new ATOM 0 HA GLU A 7 63.283 -2.589 7.310 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.400 -5.147 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.028 -4.549 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 7 62.922 -4.662 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.097 -5.932 8.096 1.00 0.00 H new ATOM 121 N ILE A 8 64.573 -2.231 4.319 1.00 0.00 N ATOM 122 CA ILE A 8 65.543 -1.404 3.551 1.00 0.00 C ATOM 123 C ILE A 8 65.488 0.033 4.067 1.00 0.00 C ATOM 124 O ILE A 8 66.494 0.659 4.334 1.00 0.00 O ATOM 125 CB ILE A 8 65.074 -1.463 2.097 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.556 -2.771 1.468 1.00 0.00 C ATOM 127 CG2 ILE A 8 65.659 -0.291 1.318 1.00 0.00 C ATOM 128 CD1 ILE A 8 65.190 -2.802 -0.018 1.00 0.00 C ATOM 0 H ILE A 8 63.964 -2.822 3.753 1.00 0.00 H new ATOM 0 HA ILE A 8 66.568 -1.761 3.651 1.00 0.00 H new ATOM 0 HB ILE A 8 63.986 -1.411 2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 8 66.635 -2.866 1.587 1.00 0.00 H new ATOM 0 HG13 ILE A 8 65.103 -3.620 1.981 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.322 -0.338 0.283 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.327 0.646 1.766 1.00 0.00 H new ATOM 0 HG23 ILE A 8 66.747 -0.341 1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 8 65.537 -3.737 -0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 8 64.108 -2.728 -0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 8 65.664 -1.963 -0.527 1.00 0.00 H new ATOM 140 N LEU A 9 64.299 0.542 4.208 1.00 0.00 N ATOM 141 CA LEU A 9 64.113 1.932 4.710 1.00 0.00 C ATOM 142 C LEU A 9 64.069 1.917 6.239 1.00 0.00 C ATOM 143 O LEU A 9 63.674 2.872 6.878 1.00 0.00 O ATOM 144 CB LEU A 9 62.775 2.356 4.116 1.00 0.00 C ATOM 145 CG LEU A 9 62.824 2.142 2.609 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.599 1.343 2.162 1.00 0.00 C ATOM 147 CD2 LEU A 9 62.842 3.498 1.903 1.00 0.00 C ATOM 0 H LEU A 9 63.433 0.047 3.994 1.00 0.00 H new ATOM 0 HA LEU A 9 64.916 2.614 4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 9 61.965 1.774 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.575 3.403 4.343 1.00 0.00 H new ATOM 0 HG LEU A 9 63.726 1.587 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.637 1.192 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 9 61.593 0.376 2.664 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.693 1.892 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 9 62.877 3.346 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.942 4.055 2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 9 63.720 4.061 2.219 1.00 0.00 H new ATOM 159 N GLY A 10 64.483 0.830 6.831 1.00 0.00 N ATOM 160 CA GLY A 10 64.483 0.733 8.313 1.00 0.00 C ATOM 161 C GLY A 10 63.053 0.779 8.848 1.00 0.00 C ATOM 162 O GLY A 10 62.835 1.030 10.017 1.00 0.00 O ATOM 0 H GLY A 10 64.823 0.000 6.345 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.965 -0.194 8.623 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.064 1.552 8.738 1.00 0.00 H new ATOM 166 N VAL A 11 62.068 0.538 8.023 1.00 0.00 N ATOM 167 CA VAL A 11 60.669 0.578 8.547 1.00 0.00 C ATOM 168 C VAL A 11 60.130 -0.830 8.768 1.00 0.00 C ATOM 169 O VAL A 11 60.795 -1.816 8.523 1.00 0.00 O ATOM 170 CB VAL A 11 59.787 1.282 7.511 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.105 2.475 8.165 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.582 1.769 6.308 1.00 0.00 C ATOM 0 H VAL A 11 62.166 0.320 7.031 1.00 0.00 H new ATOM 0 HA VAL A 11 60.662 1.108 9.499 1.00 0.00 H new ATOM 0 HB VAL A 11 59.055 0.557 7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.476 2.981 7.433 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.490 2.132 8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 11 59.860 3.168 8.535 1.00 0.00 H new ATOM 0 HG21 VAL A 11 59.911 2.261 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.344 2.476 6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.061 0.920 5.821 1.00 0.00 H new ATOM 182 N SER A 12 58.912 -0.920 9.224 1.00 0.00 N ATOM 183 CA SER A 12 58.292 -2.248 9.462 1.00 0.00 C ATOM 184 C SER A 12 57.624 -2.761 8.194 1.00 0.00 C ATOM 185 O SER A 12 57.158 -1.997 7.371 1.00 0.00 O ATOM 186 CB SER A 12 57.254 -2.009 10.558 1.00 0.00 C ATOM 187 OG SER A 12 57.782 -1.098 11.514 1.00 0.00 O ATOM 0 H SER A 12 58.316 -0.122 9.443 1.00 0.00 H new ATOM 0 HA SER A 12 59.028 -2.998 9.752 1.00 0.00 H new ATOM 0 HB2 SER A 12 56.337 -1.609 10.125 1.00 0.00 H new ATOM 0 HB3 SER A 12 56.994 -2.951 11.041 1.00 0.00 H new ATOM 0 HG SER A 12 57.118 -0.941 12.218 1.00 0.00 H new ATOM 193 N LYS A 13 57.558 -4.053 8.032 1.00 0.00 N ATOM 194 CA LYS A 13 56.899 -4.604 6.824 1.00 0.00 C ATOM 195 C LYS A 13 55.525 -3.965 6.671 1.00 0.00 C ATOM 196 O LYS A 13 54.952 -3.929 5.600 1.00 0.00 O ATOM 197 CB LYS A 13 56.800 -6.098 7.062 1.00 0.00 C ATOM 198 CG LYS A 13 55.956 -6.369 8.308 1.00 0.00 C ATOM 199 CD LYS A 13 56.861 -6.859 9.439 1.00 0.00 C ATOM 200 CE LYS A 13 56.431 -8.264 9.864 1.00 0.00 C ATOM 201 NZ LYS A 13 57.599 -8.816 10.607 1.00 0.00 N ATOM 0 H LYS A 13 57.931 -4.745 8.682 1.00 0.00 H new ATOM 0 HA LYS A 13 57.450 -4.399 5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 13 56.352 -6.585 6.195 1.00 0.00 H new ATOM 0 HB3 LYS A 13 57.796 -6.522 7.187 1.00 0.00 H new ATOM 0 HG2 LYS A 13 55.435 -5.461 8.612 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.193 -7.116 8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 13 57.900 -6.869 9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 13 56.803 -6.177 10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 13 55.542 -8.231 10.494 1.00 0.00 H new ATOM 0 HE3 LYS A 13 56.186 -8.880 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 57.380 -9.780 10.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 58.429 -8.842 9.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 57.804 -8.213 11.429 1.00 0.00 H new ATOM 215 N THR A 14 55.003 -3.441 7.743 1.00 0.00 N ATOM 216 CA THR A 14 53.677 -2.776 7.687 1.00 0.00 C ATOM 217 C THR A 14 53.864 -1.264 7.845 1.00 0.00 C ATOM 218 O THR A 14 52.933 -0.544 8.139 1.00 0.00 O ATOM 219 CB THR A 14 52.889 -3.360 8.864 1.00 0.00 C ATOM 220 OG1 THR A 14 53.276 -2.704 10.062 1.00 0.00 O ATOM 221 CG2 THR A 14 53.181 -4.859 8.981 1.00 0.00 C ATOM 0 H THR A 14 55.444 -3.446 8.663 1.00 0.00 H new ATOM 0 HA THR A 14 53.157 -2.940 6.743 1.00 0.00 H new ATOM 0 HB THR A 14 51.822 -3.212 8.698 1.00 0.00 H new ATOM 0 HG1 THR A 14 52.772 -3.075 10.816 1.00 0.00 H new ATOM 0 HG21 THR A 14 52.620 -5.275 9.818 1.00 0.00 H new ATOM 0 HG22 THR A 14 52.883 -5.361 8.060 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.248 -5.010 9.148 1.00 0.00 H new ATOM 229 N ALA A 15 55.075 -0.789 7.660 1.00 0.00 N ATOM 230 CA ALA A 15 55.365 0.665 7.792 1.00 0.00 C ATOM 231 C ALA A 15 54.418 1.527 6.942 1.00 0.00 C ATOM 232 O ALA A 15 53.218 1.352 6.934 1.00 0.00 O ATOM 233 CB ALA A 15 56.784 0.775 7.272 1.00 0.00 C ATOM 0 H ALA A 15 55.884 -1.362 7.419 1.00 0.00 H new ATOM 0 HA ALA A 15 55.235 1.021 8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 15 57.110 1.814 7.321 1.00 0.00 H new ATOM 0 HB2 ALA A 15 57.444 0.158 7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.820 0.432 6.238 1.00 0.00 H new ATOM 239 N GLU A 16 54.968 2.472 6.233 1.00 0.00 N ATOM 240 CA GLU A 16 54.143 3.371 5.385 1.00 0.00 C ATOM 241 C GLU A 16 55.062 4.228 4.509 1.00 0.00 C ATOM 242 O GLU A 16 56.029 4.796 4.975 1.00 0.00 O ATOM 243 CB GLU A 16 53.368 4.245 6.371 1.00 0.00 C ATOM 244 CG GLU A 16 51.902 3.813 6.383 1.00 0.00 C ATOM 245 CD GLU A 16 51.061 4.838 5.619 1.00 0.00 C ATOM 246 OE1 GLU A 16 50.630 5.799 6.234 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.861 4.643 4.431 1.00 0.00 O ATOM 0 H GLU A 16 55.970 2.661 6.206 1.00 0.00 H new ATOM 0 HA GLU A 16 53.473 2.827 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.795 4.153 7.370 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.448 5.294 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.798 2.829 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.546 3.727 7.410 1.00 0.00 H new ATOM 254 N GLU A 17 54.773 4.307 3.244 1.00 0.00 N ATOM 255 CA GLU A 17 55.628 5.107 2.316 1.00 0.00 C ATOM 256 C GLU A 17 56.132 6.400 2.977 1.00 0.00 C ATOM 257 O GLU A 17 57.147 6.933 2.587 1.00 0.00 O ATOM 258 CB GLU A 17 54.720 5.435 1.130 1.00 0.00 C ATOM 259 CG GLU A 17 53.425 6.075 1.635 1.00 0.00 C ATOM 260 CD GLU A 17 53.469 7.584 1.388 1.00 0.00 C ATOM 261 OE1 GLU A 17 53.080 8.001 0.308 1.00 0.00 O ATOM 262 OE2 GLU A 17 53.891 8.299 2.282 1.00 0.00 O ATOM 0 H GLU A 17 53.975 3.849 2.805 1.00 0.00 H new ATOM 0 HA GLU A 17 56.520 4.553 2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 17 55.230 6.113 0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 17 54.494 4.527 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.568 5.637 1.124 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.299 5.874 2.699 1.00 0.00 H new ATOM 269 N ARG A 18 55.431 6.918 3.953 1.00 0.00 N ATOM 270 CA ARG A 18 55.882 8.192 4.610 1.00 0.00 C ATOM 271 C ARG A 18 57.074 7.949 5.549 1.00 0.00 C ATOM 272 O ARG A 18 57.883 8.826 5.776 1.00 0.00 O ATOM 273 CB ARG A 18 54.667 8.677 5.400 1.00 0.00 C ATOM 274 CG ARG A 18 54.124 7.529 6.254 1.00 0.00 C ATOM 275 CD ARG A 18 53.929 8.013 7.694 1.00 0.00 C ATOM 276 NE ARG A 18 52.808 7.191 8.232 1.00 0.00 N ATOM 277 CZ ARG A 18 52.642 7.081 9.523 1.00 0.00 C ATOM 278 NH1 ARG A 18 53.680 6.983 10.309 1.00 0.00 N ATOM 279 NH2 ARG A 18 51.439 7.070 10.029 1.00 0.00 N ATOM 0 H ARG A 18 54.569 6.519 4.325 1.00 0.00 H new ATOM 0 HA ARG A 18 56.221 8.923 3.876 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.945 9.518 6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.895 9.034 4.718 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.177 7.175 5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 18 54.815 6.687 6.232 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.836 7.875 8.282 1.00 0.00 H new ATOM 0 HD3 ARG A 18 53.688 9.076 7.723 1.00 0.00 H new ATOM 0 HE ARG A 18 52.171 6.715 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 18 54.621 6.992 9.915 1.00 0.00 H new ATOM 0 HH12 ARG A 18 53.550 6.897 11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 18 50.627 7.147 9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.311 6.984 11.037 1.00 0.00 H new ATOM 293 N GLU A 19 57.205 6.763 6.065 1.00 0.00 N ATOM 294 CA GLU A 19 58.358 6.444 6.950 1.00 0.00 C ATOM 295 C GLU A 19 59.376 5.678 6.113 1.00 0.00 C ATOM 296 O GLU A 19 60.516 5.500 6.492 1.00 0.00 O ATOM 297 CB GLU A 19 57.839 5.574 8.115 1.00 0.00 C ATOM 298 CG GLU A 19 56.414 5.071 7.860 1.00 0.00 C ATOM 299 CD GLU A 19 55.882 4.384 9.119 1.00 0.00 C ATOM 300 OE1 GLU A 19 56.108 3.194 9.262 1.00 0.00 O ATOM 301 OE2 GLU A 19 55.259 5.061 9.920 1.00 0.00 O ATOM 0 H GLU A 19 56.556 5.991 5.911 1.00 0.00 H new ATOM 0 HA GLU A 19 58.824 7.340 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 19 58.505 4.723 8.257 1.00 0.00 H new ATOM 0 HB3 GLU A 19 57.860 6.153 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 19 55.767 5.904 7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 19 56.408 4.374 7.022 1.00 0.00 H new ATOM 308 N ILE A 20 58.967 5.261 4.944 1.00 0.00 N ATOM 309 CA ILE A 20 59.897 4.557 4.035 1.00 0.00 C ATOM 310 C ILE A 20 60.652 5.639 3.272 1.00 0.00 C ATOM 311 O ILE A 20 61.863 5.728 3.327 1.00 0.00 O ATOM 312 CB ILE A 20 58.981 3.700 3.138 1.00 0.00 C ATOM 313 CG1 ILE A 20 59.222 2.227 3.457 1.00 0.00 C ATOM 314 CG2 ILE A 20 59.243 3.940 1.642 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.048 1.684 4.275 1.00 0.00 C ATOM 0 H ILE A 20 58.020 5.382 4.584 1.00 0.00 H new ATOM 0 HA ILE A 20 60.638 3.915 4.511 1.00 0.00 H new ATOM 0 HB ILE A 20 57.948 3.984 3.342 1.00 0.00 H new ATOM 0 HG12 ILE A 20 59.331 1.657 2.534 1.00 0.00 H new ATOM 0 HG13 ILE A 20 60.152 2.112 4.014 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.574 3.315 1.051 1.00 0.00 H new ATOM 0 HG22 ILE A 20 59.063 4.989 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 20 60.277 3.687 1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.219 0.632 4.503 1.00 0.00 H new ATOM 0 HD12 ILE A 20 57.960 2.247 5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 20 57.127 1.785 3.701 1.00 0.00 H new ATOM 327 N ARG A 21 59.933 6.500 2.597 1.00 0.00 N ATOM 328 CA ARG A 21 60.611 7.611 1.884 1.00 0.00 C ATOM 329 C ARG A 21 61.570 8.247 2.875 1.00 0.00 C ATOM 330 O ARG A 21 62.660 8.663 2.544 1.00 0.00 O ATOM 331 CB ARG A 21 59.496 8.595 1.511 1.00 0.00 C ATOM 332 CG ARG A 21 58.678 8.945 2.759 1.00 0.00 C ATOM 333 CD ARG A 21 59.311 10.137 3.481 1.00 0.00 C ATOM 334 NE ARG A 21 58.519 11.319 3.042 1.00 0.00 N ATOM 335 CZ ARG A 21 58.576 12.432 3.722 1.00 0.00 C ATOM 336 NH1 ARG A 21 58.207 12.450 4.974 1.00 0.00 N ATOM 337 NH2 ARG A 21 59.001 13.525 3.150 1.00 0.00 N ATOM 0 H ARG A 21 58.917 6.478 2.512 1.00 0.00 H new ATOM 0 HA ARG A 21 61.162 7.300 0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 21 59.925 9.500 1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 21 58.849 8.156 0.752 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.652 9.183 2.477 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.634 8.086 3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.267 10.012 4.563 1.00 0.00 H new ATOM 0 HD3 ARG A 21 60.363 10.246 3.216 1.00 0.00 H new ATOM 0 HE ARG A 21 57.932 11.259 2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 21 57.875 11.595 5.420 1.00 0.00 H new ATOM 0 HH12 ARG A 21 58.251 13.319 5.506 1.00 0.00 H new ATOM 0 HH21 ARG A 21 59.289 13.510 2.172 1.00 0.00 H new ATOM 0 HH22 ARG A 21 59.045 14.395 3.681 1.00 0.00 H new ATOM 351 N LYS A 22 61.140 8.288 4.105 1.00 0.00 N ATOM 352 CA LYS A 22 61.954 8.860 5.203 1.00 0.00 C ATOM 353 C LYS A 22 63.333 8.186 5.266 1.00 0.00 C ATOM 354 O LYS A 22 64.351 8.845 5.287 1.00 0.00 O ATOM 355 CB LYS A 22 61.137 8.549 6.460 1.00 0.00 C ATOM 356 CG LYS A 22 62.029 8.685 7.699 1.00 0.00 C ATOM 357 CD LYS A 22 62.846 9.980 7.615 1.00 0.00 C ATOM 358 CE LYS A 22 61.918 11.176 7.843 1.00 0.00 C ATOM 359 NZ LYS A 22 62.760 12.195 8.528 1.00 0.00 N ATOM 0 H LYS A 22 60.229 7.936 4.399 1.00 0.00 H new ATOM 0 HA LYS A 22 62.146 9.926 5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 22 60.289 9.230 6.533 1.00 0.00 H new ATOM 0 HB3 LYS A 22 60.730 7.539 6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.416 8.689 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 22 62.698 7.827 7.772 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.640 9.973 8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.327 10.058 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 22 61.527 11.557 6.900 1.00 0.00 H new ATOM 0 HE3 LYS A 22 61.060 10.898 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 62.191 13.045 8.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.112 11.807 9.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 63.565 12.446 7.920 1.00 0.00 H new ATOM 373 N ALA A 23 63.375 6.880 5.291 1.00 0.00 N ATOM 374 CA ALA A 23 64.692 6.174 5.348 1.00 0.00 C ATOM 375 C ALA A 23 65.565 6.618 4.176 1.00 0.00 C ATOM 376 O ALA A 23 66.718 6.967 4.337 1.00 0.00 O ATOM 377 CB ALA A 23 64.352 4.691 5.231 1.00 0.00 C ATOM 0 H ALA A 23 62.557 6.271 5.275 1.00 0.00 H new ATOM 0 HA ALA A 23 65.244 6.391 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 23 65.270 4.104 5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 23 63.704 4.400 6.058 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.839 4.509 4.287 1.00 0.00 H new ATOM 383 N TYR A 24 65.002 6.647 3.003 1.00 0.00 N ATOM 384 CA TYR A 24 65.761 7.110 1.819 1.00 0.00 C ATOM 385 C TYR A 24 65.936 8.617 1.958 1.00 0.00 C ATOM 386 O TYR A 24 66.699 9.243 1.268 1.00 0.00 O ATOM 387 CB TYR A 24 64.879 6.750 0.618 1.00 0.00 C ATOM 388 CG TYR A 24 65.639 6.995 -0.663 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.950 6.523 -0.805 1.00 0.00 C ATOM 390 CD2 TYR A 24 65.029 7.694 -1.712 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.650 6.752 -1.996 1.00 0.00 C ATOM 392 CE2 TYR A 24 65.729 7.922 -2.903 1.00 0.00 C ATOM 393 CZ TYR A 24 67.040 7.450 -3.045 1.00 0.00 C ATOM 394 OH TYR A 24 67.730 7.674 -4.220 1.00 0.00 O ATOM 0 H TYR A 24 64.039 6.366 2.816 1.00 0.00 H new ATOM 0 HA TYR A 24 66.749 6.662 1.710 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.575 5.705 0.678 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.968 7.348 0.632 1.00 0.00 H new ATOM 0 HD1 TYR A 24 67.421 5.983 0.003 1.00 0.00 H new ATOM 0 HD2 TYR A 24 64.018 8.057 -1.602 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.662 6.390 -2.105 1.00 0.00 H new ATOM 0 HE2 TYR A 24 65.258 8.461 -3.712 1.00 0.00 H new ATOM 0 HH TYR A 24 68.694 7.625 -4.048 1.00 0.00 H new ATOM 404 N LYS A 25 65.218 9.188 2.878 1.00 0.00 N ATOM 405 CA LYS A 25 65.310 10.639 3.134 1.00 0.00 C ATOM 406 C LYS A 25 66.385 10.907 4.190 1.00 0.00 C ATOM 407 O LYS A 25 67.155 11.840 4.092 1.00 0.00 O ATOM 408 CB LYS A 25 63.933 10.990 3.677 1.00 0.00 C ATOM 409 CG LYS A 25 63.219 11.930 2.707 1.00 0.00 C ATOM 410 CD LYS A 25 62.534 11.107 1.617 1.00 0.00 C ATOM 411 CE LYS A 25 61.903 12.049 0.589 1.00 0.00 C ATOM 412 NZ LYS A 25 62.856 12.067 -0.555 1.00 0.00 N ATOM 0 H LYS A 25 64.556 8.693 3.476 1.00 0.00 H new ATOM 0 HA LYS A 25 65.578 11.221 2.252 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.345 10.083 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 25 64.027 11.464 4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 25 62.483 12.531 3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.933 12.622 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 25 63.258 10.453 1.131 1.00 0.00 H new ATOM 0 HD3 LYS A 25 61.770 10.466 2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 25 60.921 11.693 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 25 61.764 13.048 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 62.491 12.693 -1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 63.780 12.417 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 62.963 11.104 -0.933 1.00 0.00 H new ATOM 426 N ARG A 26 66.419 10.093 5.213 1.00 0.00 N ATOM 427 CA ARG A 26 67.416 10.287 6.301 1.00 0.00 C ATOM 428 C ARG A 26 68.762 9.648 5.938 1.00 0.00 C ATOM 429 O ARG A 26 69.812 10.188 6.224 1.00 0.00 O ATOM 430 CB ARG A 26 66.809 9.591 7.515 1.00 0.00 C ATOM 431 CG ARG A 26 66.129 10.635 8.400 1.00 0.00 C ATOM 432 CD ARG A 26 65.896 10.054 9.792 1.00 0.00 C ATOM 433 NE ARG A 26 66.907 10.720 10.660 1.00 0.00 N ATOM 434 CZ ARG A 26 66.588 11.089 11.870 1.00 0.00 C ATOM 435 NH1 ARG A 26 65.834 12.138 12.056 1.00 0.00 N ATOM 436 NH2 ARG A 26 67.020 10.407 12.896 1.00 0.00 N ATOM 0 H ARG A 26 65.793 9.297 5.340 1.00 0.00 H new ATOM 0 HA ARG A 26 67.616 11.343 6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 26 66.086 8.840 7.196 1.00 0.00 H new ATOM 0 HB3 ARG A 26 67.584 9.069 8.076 1.00 0.00 H new ATOM 0 HG2 ARG A 26 66.749 11.529 8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 26 65.180 10.938 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 26 64.883 10.256 10.140 1.00 0.00 H new ATOM 0 HD3 ARG A 26 66.025 8.972 9.795 1.00 0.00 H new ATOM 0 HE ARG A 26 67.850 10.888 10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 26 65.494 12.670 11.255 1.00 0.00 H new ATOM 0 HH12 ARG A 26 65.585 12.426 13.002 1.00 0.00 H new ATOM 0 HH21 ARG A 26 67.607 9.585 12.752 1.00 0.00 H new ATOM 0 HH22 ARG A 26 66.770 10.696 13.842 1.00 0.00 H new ATOM 450 N LEU A 27 68.742 8.498 5.314 1.00 0.00 N ATOM 451 CA LEU A 27 70.019 7.829 4.941 1.00 0.00 C ATOM 452 C LEU A 27 70.603 8.484 3.694 1.00 0.00 C ATOM 453 O LEU A 27 71.803 8.553 3.516 1.00 0.00 O ATOM 454 CB LEU A 27 69.639 6.369 4.669 1.00 0.00 C ATOM 455 CG LEU A 27 69.075 6.225 3.254 1.00 0.00 C ATOM 456 CD1 LEU A 27 70.226 6.067 2.259 1.00 0.00 C ATOM 457 CD2 LEU A 27 68.174 4.990 3.190 1.00 0.00 C ATOM 0 H LEU A 27 67.895 7.995 5.048 1.00 0.00 H new ATOM 0 HA LEU A 27 70.776 7.906 5.721 1.00 0.00 H new ATOM 0 HB2 LEU A 27 70.514 5.730 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 27 68.901 6.036 5.398 1.00 0.00 H new ATOM 0 HG LEU A 27 68.496 7.113 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.824 5.964 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.870 6.945 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 27 70.805 5.179 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 27 67.771 4.885 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 27 68.754 4.103 3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 27 67.354 5.101 3.899 1.00 0.00 H new ATOM 469 N ALA A 28 69.760 8.961 2.824 1.00 0.00 N ATOM 470 CA ALA A 28 70.263 9.605 1.591 1.00 0.00 C ATOM 471 C ALA A 28 70.666 11.041 1.896 1.00 0.00 C ATOM 472 O ALA A 28 71.689 11.512 1.439 1.00 0.00 O ATOM 473 CB ALA A 28 69.095 9.530 0.615 1.00 0.00 C ATOM 0 H ALA A 28 68.745 8.931 2.917 1.00 0.00 H new ATOM 0 HA ALA A 28 71.148 9.122 1.177 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.382 9.988 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.827 8.487 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.239 10.062 1.030 1.00 0.00 H new ATOM 479 N MET A 29 69.913 11.732 2.702 1.00 0.00 N ATOM 480 CA MET A 29 70.333 13.111 3.050 1.00 0.00 C ATOM 481 C MET A 29 71.709 13.005 3.697 1.00 0.00 C ATOM 482 O MET A 29 72.515 13.912 3.644 1.00 0.00 O ATOM 483 CB MET A 29 69.291 13.634 4.042 1.00 0.00 C ATOM 484 CG MET A 29 69.378 12.840 5.347 1.00 0.00 C ATOM 485 SD MET A 29 68.468 13.714 6.645 1.00 0.00 S ATOM 486 CE MET A 29 69.468 15.223 6.653 1.00 0.00 C ATOM 0 H MET A 29 69.043 11.409 3.126 1.00 0.00 H new ATOM 0 HA MET A 29 70.395 13.783 2.194 1.00 0.00 H new ATOM 0 HB2 MET A 29 69.460 14.693 4.237 1.00 0.00 H new ATOM 0 HB3 MET A 29 68.292 13.544 3.616 1.00 0.00 H new ATOM 0 HG2 MET A 29 68.964 11.842 5.206 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.420 12.714 5.640 1.00 0.00 H new ATOM 0 HE1 MET A 29 69.449 15.667 7.648 1.00 0.00 H new ATOM 0 HE2 MET A 29 70.496 14.980 6.384 1.00 0.00 H new ATOM 0 HE3 MET A 29 69.062 15.932 5.931 1.00 0.00 H new ATOM 496 N LYS A 30 71.987 11.868 4.282 1.00 0.00 N ATOM 497 CA LYS A 30 73.317 11.645 4.911 1.00 0.00 C ATOM 498 C LYS A 30 74.279 11.103 3.851 1.00 0.00 C ATOM 499 O LYS A 30 75.484 11.183 3.985 1.00 0.00 O ATOM 500 CB LYS A 30 73.075 10.605 6.006 1.00 0.00 C ATOM 501 CG LYS A 30 73.420 11.206 7.371 1.00 0.00 C ATOM 502 CD LYS A 30 72.131 11.574 8.110 1.00 0.00 C ATOM 503 CE LYS A 30 72.439 12.603 9.198 1.00 0.00 C ATOM 504 NZ LYS A 30 72.838 11.799 10.386 1.00 0.00 N ATOM 0 H LYS A 30 71.342 11.080 4.350 1.00 0.00 H new ATOM 0 HA LYS A 30 73.753 12.555 5.322 1.00 0.00 H new ATOM 0 HB2 LYS A 30 72.034 10.283 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.685 9.720 5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.997 10.492 7.959 1.00 0.00 H new ATOM 0 HG3 LYS A 30 74.043 12.091 7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 30 71.401 11.979 7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 30 71.687 10.683 8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 30 73.239 13.276 8.890 1.00 0.00 H new ATOM 0 HE3 LYS A 30 71.568 13.222 9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 73.065 12.436 11.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 72.054 11.173 10.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 73.674 11.226 10.152 1.00 0.00 H new ATOM 518 N TYR A 31 73.743 10.558 2.788 1.00 0.00 N ATOM 519 CA TYR A 31 74.608 10.015 1.700 1.00 0.00 C ATOM 520 C TYR A 31 74.652 10.988 0.530 1.00 0.00 C ATOM 521 O TYR A 31 75.172 10.687 -0.522 1.00 0.00 O ATOM 522 CB TYR A 31 73.960 8.701 1.286 1.00 0.00 C ATOM 523 CG TYR A 31 74.751 7.560 1.870 1.00 0.00 C ATOM 524 CD1 TYR A 31 75.126 7.595 3.216 1.00 0.00 C ATOM 525 CD2 TYR A 31 75.114 6.472 1.069 1.00 0.00 C ATOM 526 CE1 TYR A 31 75.865 6.543 3.765 1.00 0.00 C ATOM 527 CE2 TYR A 31 75.854 5.419 1.617 1.00 0.00 C ATOM 528 CZ TYR A 31 76.229 5.453 2.966 1.00 0.00 C ATOM 529 OH TYR A 31 76.957 4.415 3.507 1.00 0.00 O ATOM 0 H TYR A 31 72.740 10.466 2.628 1.00 0.00 H new ATOM 0 HA TYR A 31 75.637 9.868 2.028 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.929 8.663 1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.930 8.622 0.199 1.00 0.00 H new ATOM 0 HD1 TYR A 31 74.845 8.436 3.833 1.00 0.00 H new ATOM 0 HD2 TYR A 31 74.823 6.445 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 31 76.155 6.571 4.805 1.00 0.00 H new ATOM 0 HE2 TYR A 31 76.136 4.579 0.999 1.00 0.00 H new ATOM 0 HH TYR A 31 77.125 3.739 2.818 1.00 0.00 H new ATOM 539 N HIS A 32 74.109 12.146 0.741 1.00 0.00 N ATOM 540 CA HIS A 32 74.081 13.231 -0.282 1.00 0.00 C ATOM 541 C HIS A 32 75.466 13.446 -0.925 1.00 0.00 C ATOM 542 O HIS A 32 76.246 12.522 -0.985 1.00 0.00 O ATOM 543 CB HIS A 32 73.615 14.398 0.575 1.00 0.00 C ATOM 544 CG HIS A 32 74.750 14.852 1.462 1.00 0.00 C ATOM 545 ND1 HIS A 32 75.566 13.957 2.150 1.00 0.00 N ATOM 546 CD2 HIS A 32 75.212 16.099 1.789 1.00 0.00 C ATOM 547 CE1 HIS A 32 76.462 14.681 2.847 1.00 0.00 C ATOM 548 NE2 HIS A 32 76.291 15.992 2.661 1.00 0.00 N ATOM 0 H HIS A 32 73.661 12.401 1.621 1.00 0.00 H new ATOM 0 HA HIS A 32 73.446 13.045 -1.148 1.00 0.00 H new ATOM 0 HB2 HIS A 32 73.283 15.220 -0.059 1.00 0.00 H new ATOM 0 HB3 HIS A 32 72.761 14.099 1.183 1.00 0.00 H new ATOM 0 HD2 HIS A 32 74.800 17.028 1.424 1.00 0.00 H new ATOM 0 HE1 HIS A 32 77.226 14.253 3.479 1.00 0.00 H new ATOM 0 HE2 HIS A 32 76.835 16.752 3.070 1.00 0.00 H new ATOM 556 N PRO A 33 75.753 14.632 -1.430 1.00 0.00 N ATOM 557 CA PRO A 33 77.067 14.839 -2.091 1.00 0.00 C ATOM 558 C PRO A 33 78.218 14.723 -1.090 1.00 0.00 C ATOM 559 O PRO A 33 79.068 15.584 -0.986 1.00 0.00 O ATOM 560 CB PRO A 33 76.961 16.230 -2.703 1.00 0.00 C ATOM 561 CG PRO A 33 75.910 16.917 -1.904 1.00 0.00 C ATOM 562 CD PRO A 33 74.947 15.863 -1.443 1.00 0.00 C ATOM 0 HA PRO A 33 77.285 14.084 -2.846 1.00 0.00 H new ATOM 0 HB2 PRO A 33 77.911 16.761 -2.646 1.00 0.00 H new ATOM 0 HB3 PRO A 33 76.687 16.179 -3.757 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.351 17.435 -1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 33 75.399 17.669 -2.505 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.548 16.090 -0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.096 15.776 -2.118 1.00 0.00 H new ATOM 570 N ASP A 34 78.259 13.626 -0.392 1.00 0.00 N ATOM 571 CA ASP A 34 79.357 13.368 0.578 1.00 0.00 C ATOM 572 C ASP A 34 80.189 12.226 -0.009 1.00 0.00 C ATOM 573 O ASP A 34 81.403 12.253 -0.026 1.00 0.00 O ATOM 574 CB ASP A 34 78.645 12.969 1.887 1.00 0.00 C ATOM 575 CG ASP A 34 79.071 11.569 2.350 1.00 0.00 C ATOM 576 OD1 ASP A 34 80.237 11.401 2.666 1.00 0.00 O ATOM 577 OD2 ASP A 34 78.222 10.694 2.380 1.00 0.00 O ATOM 0 H ASP A 34 77.564 12.882 -0.454 1.00 0.00 H new ATOM 0 HA ASP A 34 80.022 14.211 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.875 13.697 2.665 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.566 12.992 1.738 1.00 0.00 H new ATOM 582 N ARG A 35 79.507 11.239 -0.523 1.00 0.00 N ATOM 583 CA ARG A 35 80.185 10.088 -1.161 1.00 0.00 C ATOM 584 C ARG A 35 79.521 9.824 -2.516 1.00 0.00 C ATOM 585 O ARG A 35 80.146 9.353 -3.446 1.00 0.00 O ATOM 586 CB ARG A 35 79.964 8.910 -0.209 1.00 0.00 C ATOM 587 CG ARG A 35 78.462 8.664 -0.033 1.00 0.00 C ATOM 588 CD ARG A 35 77.925 7.900 -1.242 1.00 0.00 C ATOM 589 NE ARG A 35 77.525 6.565 -0.718 1.00 0.00 N ATOM 590 CZ ARG A 35 78.434 5.746 -0.262 1.00 0.00 C ATOM 591 NH1 ARG A 35 79.155 5.044 -1.094 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.624 5.632 1.023 1.00 0.00 N ATOM 0 H ARG A 35 78.488 11.186 -0.525 1.00 0.00 H new ATOM 0 HA ARG A 35 81.248 10.257 -1.334 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.445 8.015 -0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.424 9.119 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.280 8.096 0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.937 9.613 0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 35 77.076 8.418 -1.689 1.00 0.00 H new ATOM 0 HD3 ARG A 35 78.685 7.806 -2.017 1.00 0.00 H new ATOM 0 HE ARG A 35 76.543 6.291 -0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 35 79.008 5.136 -2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 35 79.865 4.404 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 35 78.062 6.183 1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.334 4.992 1.379 1.00 0.00 H new ATOM 606 N ASN A 36 78.244 10.119 -2.627 1.00 0.00 N ATOM 607 CA ASN A 36 77.523 9.885 -3.906 1.00 0.00 C ATOM 608 C ASN A 36 78.405 10.277 -5.089 1.00 0.00 C ATOM 609 O ASN A 36 78.300 9.722 -6.164 1.00 0.00 O ATOM 610 CB ASN A 36 76.296 10.791 -3.826 1.00 0.00 C ATOM 611 CG ASN A 36 75.160 10.055 -3.116 1.00 0.00 C ATOM 612 OD1 ASN A 36 75.204 8.851 -2.958 1.00 0.00 O ATOM 613 ND2 ASN A 36 74.135 10.734 -2.678 1.00 0.00 N ATOM 0 H ASN A 36 77.675 10.513 -1.878 1.00 0.00 H new ATOM 0 HA ASN A 36 77.254 8.839 -4.049 1.00 0.00 H new ATOM 0 HB2 ASN A 36 76.542 11.706 -3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 36 75.982 11.085 -4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 36 73.371 10.254 -2.203 1.00 0.00 H new ATOM 0 HD22 ASN A 36 74.098 11.745 -2.811 1.00 0.00 H new ATOM 620 N GLN A 37 79.278 11.224 -4.899 1.00 0.00 N ATOM 621 CA GLN A 37 80.169 11.636 -6.017 1.00 0.00 C ATOM 622 C GLN A 37 80.906 10.409 -6.548 1.00 0.00 C ATOM 623 O GLN A 37 81.304 10.353 -7.695 1.00 0.00 O ATOM 624 CB GLN A 37 81.155 12.633 -5.404 1.00 0.00 C ATOM 625 CG GLN A 37 80.399 13.651 -4.546 1.00 0.00 C ATOM 626 CD GLN A 37 80.909 15.059 -4.859 1.00 0.00 C ATOM 627 OE1 GLN A 37 81.566 15.271 -5.860 1.00 0.00 O ATOM 628 NE2 GLN A 37 80.632 16.038 -4.042 1.00 0.00 N ATOM 0 H GLN A 37 79.413 11.729 -4.023 1.00 0.00 H new ATOM 0 HA GLN A 37 79.623 12.080 -6.849 1.00 0.00 H new ATOM 0 HB2 GLN A 37 81.889 12.105 -4.795 1.00 0.00 H new ATOM 0 HB3 GLN A 37 81.705 13.146 -6.193 1.00 0.00 H new ATOM 0 HG2 GLN A 37 79.329 13.587 -4.745 1.00 0.00 H new ATOM 0 HG3 GLN A 37 80.540 13.428 -3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 37 80.081 15.861 -3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 37 80.967 16.980 -4.243 1.00 0.00 H new ATOM 637 N GLY A 38 81.075 9.419 -5.717 1.00 0.00 N ATOM 638 CA GLY A 38 81.770 8.181 -6.158 1.00 0.00 C ATOM 639 C GLY A 38 80.846 6.994 -5.905 1.00 0.00 C ATOM 640 O GLY A 38 81.284 5.905 -5.590 1.00 0.00 O ATOM 0 H GLY A 38 80.760 9.415 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 38 82.024 8.245 -7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 38 82.705 8.056 -5.613 1.00 0.00 H new ATOM 644 N ASP A 39 79.564 7.202 -6.030 1.00 0.00 N ATOM 645 CA ASP A 39 78.599 6.092 -5.785 1.00 0.00 C ATOM 646 C ASP A 39 78.590 5.110 -6.959 1.00 0.00 C ATOM 647 O ASP A 39 77.550 4.764 -7.477 1.00 0.00 O ATOM 648 CB ASP A 39 77.238 6.773 -5.647 1.00 0.00 C ATOM 649 CG ASP A 39 76.716 6.587 -4.221 1.00 0.00 C ATOM 650 OD1 ASP A 39 77.516 6.273 -3.354 1.00 0.00 O ATOM 651 OD2 ASP A 39 75.525 6.761 -4.019 1.00 0.00 O ATOM 0 H ASP A 39 79.142 8.093 -6.291 1.00 0.00 H new ATOM 0 HA ASP A 39 78.862 5.514 -4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 39 77.326 7.835 -5.878 1.00 0.00 H new ATOM 0 HB3 ASP A 39 76.533 6.349 -6.362 1.00 0.00 H new ATOM 656 N LYS A 40 79.735 4.650 -7.378 1.00 0.00 N ATOM 657 CA LYS A 40 79.780 3.680 -8.510 1.00 0.00 C ATOM 658 C LYS A 40 79.654 2.253 -7.980 1.00 0.00 C ATOM 659 O LYS A 40 80.265 1.332 -8.483 1.00 0.00 O ATOM 660 CB LYS A 40 81.147 3.889 -9.142 1.00 0.00 C ATOM 661 CG LYS A 40 80.980 4.369 -10.584 1.00 0.00 C ATOM 662 CD LYS A 40 81.590 3.343 -11.543 1.00 0.00 C ATOM 663 CE LYS A 40 82.195 4.068 -12.748 1.00 0.00 C ATOM 664 NZ LYS A 40 83.282 3.172 -13.232 1.00 0.00 N ATOM 0 H LYS A 40 80.642 4.903 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 40 78.969 3.831 -9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 40 81.715 4.621 -8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 40 81.714 2.958 -9.122 1.00 0.00 H new ATOM 0 HG2 LYS A 40 79.923 4.510 -10.811 1.00 0.00 H new ATOM 0 HG3 LYS A 40 81.465 5.336 -10.714 1.00 0.00 H new ATOM 0 HD2 LYS A 40 82.358 2.762 -11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 40 80.826 2.640 -11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 40 81.448 4.236 -13.523 1.00 0.00 H new ATOM 0 HE3 LYS A 40 82.586 5.045 -12.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 83.744 3.602 -14.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 83.982 3.036 -12.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 82.879 2.252 -13.501 1.00 0.00 H new ATOM 678 N GLU A 41 78.878 2.075 -6.956 1.00 0.00 N ATOM 679 CA GLU A 41 78.711 0.722 -6.357 1.00 0.00 C ATOM 680 C GLU A 41 77.615 0.800 -5.301 1.00 0.00 C ATOM 681 O GLU A 41 76.765 -0.063 -5.199 1.00 0.00 O ATOM 682 CB GLU A 41 80.065 0.379 -5.717 1.00 0.00 C ATOM 683 CG GLU A 41 80.798 1.665 -5.310 1.00 0.00 C ATOM 684 CD GLU A 41 81.997 1.317 -4.427 1.00 0.00 C ATOM 685 OE1 GLU A 41 81.780 0.814 -3.336 1.00 0.00 O ATOM 686 OE2 GLU A 41 83.114 1.559 -4.856 1.00 0.00 O ATOM 0 H GLU A 41 78.344 2.815 -6.500 1.00 0.00 H new ATOM 0 HA GLU A 41 78.428 -0.037 -7.086 1.00 0.00 H new ATOM 0 HB2 GLU A 41 79.913 -0.254 -4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 41 80.674 -0.189 -6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 41 81.132 2.202 -6.198 1.00 0.00 H new ATOM 0 HG3 GLU A 41 80.119 2.328 -4.773 1.00 0.00 H new ATOM 693 N ALA A 42 77.609 1.858 -4.540 1.00 0.00 N ATOM 694 CA ALA A 42 76.551 2.031 -3.517 1.00 0.00 C ATOM 695 C ALA A 42 75.301 2.564 -4.211 1.00 0.00 C ATOM 696 O ALA A 42 74.210 2.514 -3.679 1.00 0.00 O ATOM 697 CB ALA A 42 77.104 3.062 -2.531 1.00 0.00 C ATOM 0 H ALA A 42 78.295 2.611 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 42 76.289 1.105 -3.005 1.00 0.00 H new ATOM 0 HB1 ALA A 42 76.372 3.241 -1.743 1.00 0.00 H new ATOM 0 HB2 ALA A 42 78.027 2.685 -2.090 1.00 0.00 H new ATOM 0 HB3 ALA A 42 77.307 3.995 -3.056 1.00 0.00 H new ATOM 703 N GLU A 43 75.455 3.067 -5.410 1.00 0.00 N ATOM 704 CA GLU A 43 74.269 3.596 -6.146 1.00 0.00 C ATOM 705 C GLU A 43 73.095 2.651 -5.996 1.00 0.00 C ATOM 706 O GLU A 43 71.970 3.058 -5.786 1.00 0.00 O ATOM 707 CB GLU A 43 74.662 3.603 -7.614 1.00 0.00 C ATOM 708 CG GLU A 43 73.658 4.445 -8.402 1.00 0.00 C ATOM 709 CD GLU A 43 74.355 5.686 -8.959 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.006 5.566 -9.983 1.00 0.00 O ATOM 711 OE2 GLU A 43 74.226 6.736 -8.353 1.00 0.00 O ATOM 0 H GLU A 43 76.343 3.134 -5.907 1.00 0.00 H new ATOM 0 HA GLU A 43 73.988 4.579 -5.768 1.00 0.00 H new ATOM 0 HB2 GLU A 43 75.666 4.010 -7.731 1.00 0.00 H new ATOM 0 HB3 GLU A 43 74.683 2.584 -8.002 1.00 0.00 H new ATOM 0 HG2 GLU A 43 73.235 3.857 -9.216 1.00 0.00 H new ATOM 0 HG3 GLU A 43 72.830 4.739 -7.757 1.00 0.00 H new ATOM 718 N ALA A 44 73.344 1.390 -6.157 1.00 0.00 N ATOM 719 CA ALA A 44 72.235 0.423 -6.079 1.00 0.00 C ATOM 720 C ALA A 44 71.518 0.540 -4.743 1.00 0.00 C ATOM 721 O ALA A 44 70.338 0.820 -4.693 1.00 0.00 O ATOM 722 CB ALA A 44 72.872 -0.957 -6.247 1.00 0.00 C ATOM 0 H ALA A 44 74.265 0.991 -6.338 1.00 0.00 H new ATOM 0 HA ALA A 44 71.485 0.605 -6.849 1.00 0.00 H new ATOM 0 HB1 ALA A 44 72.098 -1.723 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 44 73.375 -1.010 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 44 73.597 -1.122 -5.450 1.00 0.00 H new ATOM 728 N LYS A 45 72.209 0.340 -3.658 1.00 0.00 N ATOM 729 CA LYS A 45 71.530 0.464 -2.344 1.00 0.00 C ATOM 730 C LYS A 45 70.704 1.745 -2.341 1.00 0.00 C ATOM 731 O LYS A 45 69.686 1.842 -1.692 1.00 0.00 O ATOM 732 CB LYS A 45 72.645 0.545 -1.307 1.00 0.00 C ATOM 733 CG LYS A 45 72.037 0.915 0.046 1.00 0.00 C ATOM 734 CD LYS A 45 73.091 0.739 1.140 1.00 0.00 C ATOM 735 CE LYS A 45 72.786 -0.527 1.944 1.00 0.00 C ATOM 736 NZ LYS A 45 73.415 -0.299 3.274 1.00 0.00 N ATOM 0 H LYS A 45 73.200 0.100 -3.624 1.00 0.00 H new ATOM 0 HA LYS A 45 70.863 -0.372 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 45 73.166 -0.410 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 45 73.383 1.290 -1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 45 71.683 1.946 0.029 1.00 0.00 H new ATOM 0 HG3 LYS A 45 71.172 0.285 0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 45 74.084 0.670 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 45 73.096 1.608 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.712 -0.686 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 45 73.198 -1.412 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 73.249 -1.125 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 74.438 -0.157 3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 72.998 0.546 3.715 1.00 0.00 H new ATOM 750 N PHE A 46 71.141 2.728 -3.082 1.00 0.00 N ATOM 751 CA PHE A 46 70.390 4.010 -3.144 1.00 0.00 C ATOM 752 C PHE A 46 69.036 3.811 -3.812 1.00 0.00 C ATOM 753 O PHE A 46 68.016 4.201 -3.281 1.00 0.00 O ATOM 754 CB PHE A 46 71.260 4.951 -3.970 1.00 0.00 C ATOM 755 CG PHE A 46 71.583 6.162 -3.143 1.00 0.00 C ATOM 756 CD1 PHE A 46 72.261 6.012 -1.930 1.00 0.00 C ATOM 757 CD2 PHE A 46 71.194 7.430 -3.580 1.00 0.00 C ATOM 758 CE1 PHE A 46 72.553 7.137 -1.150 1.00 0.00 C ATOM 759 CE2 PHE A 46 71.486 8.557 -2.802 1.00 0.00 C ATOM 760 CZ PHE A 46 72.165 8.409 -1.586 1.00 0.00 C ATOM 0 H PHE A 46 71.989 2.696 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 46 70.192 4.408 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 46 72.177 4.447 -4.275 1.00 0.00 H new ATOM 0 HB3 PHE A 46 70.739 5.244 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 46 72.559 5.030 -1.595 1.00 0.00 H new ATOM 0 HD2 PHE A 46 70.669 7.541 -4.517 1.00 0.00 H new ATOM 0 HE1 PHE A 46 73.077 7.024 -0.213 1.00 0.00 H new ATOM 0 HE2 PHE A 46 71.188 9.539 -3.139 1.00 0.00 H new ATOM 0 HZ PHE A 46 72.389 9.277 -0.984 1.00 0.00 H new ATOM 770 N LYS A 47 69.000 3.204 -4.965 1.00 0.00 N ATOM 771 CA LYS A 47 67.681 2.999 -5.614 1.00 0.00 C ATOM 772 C LYS A 47 67.083 1.696 -5.088 1.00 0.00 C ATOM 773 O LYS A 47 65.883 1.507 -5.070 1.00 0.00 O ATOM 774 CB LYS A 47 67.970 2.969 -7.125 1.00 0.00 C ATOM 775 CG LYS A 47 67.984 1.534 -7.652 1.00 0.00 C ATOM 776 CD LYS A 47 69.225 0.809 -7.136 1.00 0.00 C ATOM 777 CE LYS A 47 69.853 0.010 -8.283 1.00 0.00 C ATOM 778 NZ LYS A 47 68.730 -0.768 -8.882 1.00 0.00 N ATOM 0 H LYS A 47 69.809 2.849 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 47 66.952 3.781 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.213 3.547 -7.655 1.00 0.00 H new ATOM 0 HB3 LYS A 47 68.931 3.443 -7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 47 67.084 1.009 -7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 47 67.979 1.536 -8.742 1.00 0.00 H new ATOM 0 HD2 LYS A 47 69.943 1.528 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 47 68.957 0.143 -6.316 1.00 0.00 H new ATOM 0 HE2 LYS A 47 70.310 0.671 -9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 47 70.639 -0.651 -7.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 69.091 -1.672 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 68.009 -0.952 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 68.306 -0.223 -9.660 1.00 0.00 H new ATOM 792 N GLU A 48 67.921 0.818 -4.614 1.00 0.00 N ATOM 793 CA GLU A 48 67.416 -0.450 -4.033 1.00 0.00 C ATOM 794 C GLU A 48 66.363 -0.059 -3.022 1.00 0.00 C ATOM 795 O GLU A 48 65.352 -0.708 -2.839 1.00 0.00 O ATOM 796 CB GLU A 48 68.619 -1.067 -3.325 1.00 0.00 C ATOM 797 CG GLU A 48 69.501 -1.801 -4.334 1.00 0.00 C ATOM 798 CD GLU A 48 68.915 -3.186 -4.618 1.00 0.00 C ATOM 799 OE1 GLU A 48 68.652 -3.902 -3.666 1.00 0.00 O ATOM 800 OE2 GLU A 48 68.740 -3.506 -5.781 1.00 0.00 O ATOM 0 H GLU A 48 68.935 0.926 -4.605 1.00 0.00 H new ATOM 0 HA GLU A 48 66.993 -1.145 -4.759 1.00 0.00 H new ATOM 0 HB2 GLU A 48 69.195 -0.289 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 48 68.281 -1.759 -2.554 1.00 0.00 H new ATOM 0 HG2 GLU A 48 69.568 -1.227 -5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 48 70.514 -1.897 -3.944 1.00 0.00 H new ATOM 807 N ILE A 49 66.614 1.042 -2.387 1.00 0.00 N ATOM 808 CA ILE A 49 65.663 1.577 -1.384 1.00 0.00 C ATOM 809 C ILE A 49 64.437 2.109 -2.108 1.00 0.00 C ATOM 810 O ILE A 49 63.309 1.795 -1.784 1.00 0.00 O ATOM 811 CB ILE A 49 66.403 2.735 -0.733 1.00 0.00 C ATOM 812 CG1 ILE A 49 67.617 2.205 0.022 1.00 0.00 C ATOM 813 CG2 ILE A 49 65.470 3.464 0.230 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.673 3.307 0.125 1.00 0.00 C ATOM 0 H ILE A 49 67.454 1.605 -2.522 1.00 0.00 H new ATOM 0 HA ILE A 49 65.342 0.828 -0.660 1.00 0.00 H new ATOM 0 HB ILE A 49 66.736 3.431 -1.503 1.00 0.00 H new ATOM 0 HG12 ILE A 49 67.323 1.874 1.018 1.00 0.00 H new ATOM 0 HG13 ILE A 49 68.030 1.338 -0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 49 66.003 4.293 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.609 3.847 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 49 65.131 2.773 1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 49 69.542 2.929 0.665 1.00 0.00 H new ATOM 0 HD12 ILE A 49 68.974 3.617 -0.876 1.00 0.00 H new ATOM 0 HD13 ILE A 49 68.257 4.161 0.660 1.00 0.00 H new ATOM 826 N LYS A 50 64.670 2.922 -3.098 1.00 0.00 N ATOM 827 CA LYS A 50 63.539 3.498 -3.873 1.00 0.00 C ATOM 828 C LYS A 50 62.628 2.368 -4.357 1.00 0.00 C ATOM 829 O LYS A 50 61.420 2.429 -4.231 1.00 0.00 O ATOM 830 CB LYS A 50 64.194 4.206 -5.059 1.00 0.00 C ATOM 831 CG LYS A 50 63.132 4.981 -5.840 1.00 0.00 C ATOM 832 CD LYS A 50 63.477 6.471 -5.829 1.00 0.00 C ATOM 833 CE LYS A 50 62.705 7.187 -6.938 1.00 0.00 C ATOM 834 NZ LYS A 50 63.718 8.034 -7.626 1.00 0.00 N ATOM 0 H LYS A 50 65.598 3.213 -3.405 1.00 0.00 H new ATOM 0 HA LYS A 50 62.927 4.181 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.970 4.886 -4.707 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.679 3.477 -5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.081 4.616 -6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 50 62.150 4.821 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.228 6.905 -4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.549 6.607 -5.973 1.00 0.00 H new ATOM 0 HE2 LYS A 50 62.252 6.474 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.896 7.792 -6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 63.264 8.558 -8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 64.127 8.707 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 64.472 7.430 -8.011 1.00 0.00 H new ATOM 848 N GLU A 51 63.205 1.327 -4.900 1.00 0.00 N ATOM 849 CA GLU A 51 62.383 0.181 -5.382 1.00 0.00 C ATOM 850 C GLU A 51 61.377 -0.219 -4.305 1.00 0.00 C ATOM 851 O GLU A 51 60.208 -0.411 -4.573 1.00 0.00 O ATOM 852 CB GLU A 51 63.386 -0.946 -5.623 1.00 0.00 C ATOM 853 CG GLU A 51 62.636 -2.253 -5.895 1.00 0.00 C ATOM 854 CD GLU A 51 63.001 -2.768 -7.289 1.00 0.00 C ATOM 855 OE1 GLU A 51 64.116 -3.234 -7.453 1.00 0.00 O ATOM 856 OE2 GLU A 51 62.160 -2.683 -8.169 1.00 0.00 O ATOM 0 H GLU A 51 64.211 1.223 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 51 61.816 0.419 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 51 64.028 -0.700 -6.469 1.00 0.00 H new ATOM 0 HB3 GLU A 51 64.034 -1.061 -4.754 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.894 -2.997 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.561 -2.089 -5.826 1.00 0.00 H new ATOM 863 N ALA A 52 61.831 -0.330 -3.083 1.00 0.00 N ATOM 864 CA ALA A 52 60.915 -0.696 -1.965 1.00 0.00 C ATOM 865 C ALA A 52 59.568 -0.002 -2.155 1.00 0.00 C ATOM 866 O ALA A 52 58.530 -0.515 -1.791 1.00 0.00 O ATOM 867 CB ALA A 52 61.618 -0.170 -0.715 1.00 0.00 C ATOM 0 H ALA A 52 62.803 -0.182 -2.812 1.00 0.00 H new ATOM 0 HA ALA A 52 60.718 -1.766 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 52 61.014 -0.395 0.164 1.00 0.00 H new ATOM 0 HB2 ALA A 52 62.593 -0.648 -0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.750 0.909 -0.798 1.00 0.00 H new ATOM 873 N TYR A 53 59.583 1.167 -2.726 1.00 0.00 N ATOM 874 CA TYR A 53 58.311 1.909 -2.938 1.00 0.00 C ATOM 875 C TYR A 53 57.361 1.086 -3.802 1.00 0.00 C ATOM 876 O TYR A 53 56.180 1.004 -3.536 1.00 0.00 O ATOM 877 CB TYR A 53 58.726 3.199 -3.647 1.00 0.00 C ATOM 878 CG TYR A 53 59.678 3.987 -2.767 1.00 0.00 C ATOM 879 CD1 TYR A 53 60.060 3.494 -1.509 1.00 0.00 C ATOM 880 CD2 TYR A 53 60.184 5.210 -3.216 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.940 4.219 -0.710 1.00 0.00 C ATOM 882 CE2 TYR A 53 61.068 5.937 -2.412 1.00 0.00 C ATOM 883 CZ TYR A 53 61.449 5.440 -1.160 1.00 0.00 C ATOM 884 OH TYR A 53 62.321 6.159 -0.368 1.00 0.00 O ATOM 0 H TYR A 53 60.423 1.642 -3.056 1.00 0.00 H new ATOM 0 HA TYR A 53 57.783 2.113 -2.007 1.00 0.00 H new ATOM 0 HB2 TYR A 53 59.205 2.964 -4.597 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.845 3.799 -3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 53 59.670 2.549 -1.160 1.00 0.00 H new ATOM 0 HD2 TYR A 53 59.893 5.593 -4.183 1.00 0.00 H new ATOM 0 HE1 TYR A 53 61.229 3.837 0.258 1.00 0.00 H new ATOM 0 HE2 TYR A 53 61.457 6.883 -2.758 1.00 0.00 H new ATOM 0 HH TYR A 53 62.828 6.786 -0.925 1.00 0.00 H new ATOM 894 N GLU A 54 57.864 0.446 -4.815 1.00 0.00 N ATOM 895 CA GLU A 54 56.970 -0.387 -5.662 1.00 0.00 C ATOM 896 C GLU A 54 56.301 -1.414 -4.776 1.00 0.00 C ATOM 897 O GLU A 54 55.301 -2.009 -5.128 1.00 0.00 O ATOM 898 CB GLU A 54 57.875 -1.082 -6.675 1.00 0.00 C ATOM 899 CG GLU A 54 58.864 -0.072 -7.239 1.00 0.00 C ATOM 900 CD GLU A 54 59.026 -0.296 -8.744 1.00 0.00 C ATOM 901 OE1 GLU A 54 59.287 -1.423 -9.131 1.00 0.00 O ATOM 902 OE2 GLU A 54 58.885 0.664 -9.485 1.00 0.00 O ATOM 0 H GLU A 54 58.845 0.462 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 54 56.201 0.200 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 54 58.409 -1.905 -6.199 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.278 -1.512 -7.479 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.512 0.942 -7.048 1.00 0.00 H new ATOM 0 HG3 GLU A 54 59.828 -0.174 -6.740 1.00 0.00 H new ATOM 909 N VAL A 55 56.858 -1.638 -3.621 1.00 0.00 N ATOM 910 CA VAL A 55 56.267 -2.634 -2.716 1.00 0.00 C ATOM 911 C VAL A 55 55.359 -1.953 -1.682 1.00 0.00 C ATOM 912 O VAL A 55 54.186 -2.247 -1.574 1.00 0.00 O ATOM 913 CB VAL A 55 57.478 -3.341 -2.062 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.502 -3.151 -0.542 1.00 0.00 C ATOM 915 CG2 VAL A 55 57.395 -4.831 -2.345 1.00 0.00 C ATOM 0 H VAL A 55 57.695 -1.171 -3.273 1.00 0.00 H new ATOM 0 HA VAL A 55 55.628 -3.349 -3.233 1.00 0.00 H new ATOM 0 HB VAL A 55 58.382 -2.901 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.369 -3.664 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.563 -2.088 -0.309 1.00 0.00 H new ATOM 0 HG13 VAL A 55 56.592 -3.566 -0.109 1.00 0.00 H new ATOM 0 HG21 VAL A 55 58.245 -5.336 -1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 55 56.469 -5.229 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 55 57.411 -4.998 -3.422 1.00 0.00 H new ATOM 925 N LEU A 56 55.905 -1.073 -0.898 1.00 0.00 N ATOM 926 CA LEU A 56 55.083 -0.412 0.160 1.00 0.00 C ATOM 927 C LEU A 56 54.249 0.754 -0.384 1.00 0.00 C ATOM 928 O LEU A 56 53.205 1.066 0.154 1.00 0.00 O ATOM 929 CB LEU A 56 56.089 0.087 1.182 1.00 0.00 C ATOM 930 CG LEU A 56 57.148 0.912 0.470 1.00 0.00 C ATOM 931 CD1 LEU A 56 57.050 2.358 0.938 1.00 0.00 C ATOM 932 CD2 LEU A 56 58.527 0.339 0.798 1.00 0.00 C ATOM 0 H LEU A 56 56.881 -0.780 -0.939 1.00 0.00 H new ATOM 0 HA LEU A 56 54.360 -1.111 0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.589 0.690 1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.551 -0.755 1.698 1.00 0.00 H new ATOM 0 HG LEU A 56 56.995 0.877 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.807 2.957 0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 56 56.060 2.750 0.703 1.00 0.00 H new ATOM 0 HD13 LEU A 56 57.212 2.404 2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 56 59.294 0.925 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 56 58.691 0.380 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 56 58.580 -0.697 0.462 1.00 0.00 H new ATOM 944 N THR A 57 54.670 1.401 -1.436 1.00 0.00 N ATOM 945 CA THR A 57 53.843 2.530 -1.960 1.00 0.00 C ATOM 946 C THR A 57 52.830 1.989 -2.976 1.00 0.00 C ATOM 947 O THR A 57 52.391 2.685 -3.871 1.00 0.00 O ATOM 948 CB THR A 57 54.817 3.525 -2.613 1.00 0.00 C ATOM 949 OG1 THR A 57 55.227 3.039 -3.882 1.00 0.00 O ATOM 950 CG2 THR A 57 56.043 3.734 -1.713 1.00 0.00 C ATOM 0 H THR A 57 55.531 1.205 -1.947 1.00 0.00 H new ATOM 0 HA THR A 57 53.279 3.025 -1.170 1.00 0.00 H new ATOM 0 HB THR A 57 54.309 4.480 -2.744 1.00 0.00 H new ATOM 0 HG1 THR A 57 55.329 2.065 -3.842 1.00 0.00 H new ATOM 0 HG21 THR A 57 56.725 4.440 -2.186 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.723 4.129 -0.749 1.00 0.00 H new ATOM 0 HG23 THR A 57 56.552 2.782 -1.565 1.00 0.00 H new ATOM 958 N ASP A 58 52.444 0.748 -2.818 1.00 0.00 N ATOM 959 CA ASP A 58 51.445 0.129 -3.735 1.00 0.00 C ATOM 960 C ASP A 58 50.664 -0.920 -2.973 1.00 0.00 C ATOM 961 O ASP A 58 51.201 -1.908 -2.515 1.00 0.00 O ATOM 962 CB ASP A 58 52.257 -0.502 -4.863 1.00 0.00 C ATOM 963 CG ASP A 58 51.869 0.140 -6.197 1.00 0.00 C ATOM 964 OD1 ASP A 58 51.836 1.359 -6.257 1.00 0.00 O ATOM 965 OD2 ASP A 58 51.614 -0.597 -7.134 1.00 0.00 O ATOM 0 H ASP A 58 52.785 0.131 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 58 50.729 0.850 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 58 53.322 -0.365 -4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 58 52.075 -1.576 -4.898 1.00 0.00 H new ATOM 970 N SER A 59 49.402 -0.684 -2.806 1.00 0.00 N ATOM 971 CA SER A 59 48.568 -1.627 -2.037 1.00 0.00 C ATOM 972 C SER A 59 48.923 -3.084 -2.351 1.00 0.00 C ATOM 973 O SER A 59 49.023 -3.910 -1.465 1.00 0.00 O ATOM 974 CB SER A 59 47.128 -1.319 -2.445 1.00 0.00 C ATOM 975 OG SER A 59 46.724 -0.090 -1.855 1.00 0.00 O ATOM 0 H SER A 59 48.909 0.130 -3.173 1.00 0.00 H new ATOM 0 HA SER A 59 48.725 -1.508 -0.965 1.00 0.00 H new ATOM 0 HB2 SER A 59 47.051 -1.257 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.467 -2.124 -2.124 1.00 0.00 H new ATOM 0 HG SER A 59 45.801 0.111 -2.117 1.00 0.00 H new ATOM 981 N GLN A 60 49.102 -3.409 -3.598 1.00 0.00 N ATOM 982 CA GLN A 60 49.436 -4.817 -3.961 1.00 0.00 C ATOM 983 C GLN A 60 50.499 -5.394 -3.017 1.00 0.00 C ATOM 984 O GLN A 60 50.289 -6.403 -2.373 1.00 0.00 O ATOM 985 CB GLN A 60 49.980 -4.735 -5.387 1.00 0.00 C ATOM 986 CG GLN A 60 49.411 -5.888 -6.215 1.00 0.00 C ATOM 987 CD GLN A 60 50.546 -6.578 -6.974 1.00 0.00 C ATOM 988 OE1 GLN A 60 51.061 -6.043 -7.936 1.00 0.00 O ATOM 989 NE2 GLN A 60 50.960 -7.752 -6.579 1.00 0.00 N ATOM 0 H GLN A 60 49.032 -2.763 -4.384 1.00 0.00 H new ATOM 0 HA GLN A 60 48.568 -5.471 -3.883 1.00 0.00 H new ATOM 0 HB2 GLN A 60 49.708 -3.780 -5.837 1.00 0.00 H new ATOM 0 HB3 GLN A 60 51.069 -4.783 -5.376 1.00 0.00 H new ATOM 0 HG2 GLN A 60 48.907 -6.603 -5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 60 48.665 -5.513 -6.916 1.00 0.00 H new ATOM 0 HE21 GLN A 60 50.527 -8.200 -5.771 1.00 0.00 H new ATOM 0 HE22 GLN A 60 51.716 -8.221 -7.078 1.00 0.00 H new ATOM 998 N LYS A 61 51.646 -4.775 -2.948 1.00 0.00 N ATOM 999 CA LYS A 61 52.736 -5.295 -2.068 1.00 0.00 C ATOM 1000 C LYS A 61 52.498 -4.958 -0.600 1.00 0.00 C ATOM 1001 O LYS A 61 52.448 -5.833 0.243 1.00 0.00 O ATOM 1002 CB LYS A 61 53.994 -4.596 -2.555 1.00 0.00 C ATOM 1003 CG LYS A 61 54.831 -5.550 -3.409 1.00 0.00 C ATOM 1004 CD LYS A 61 53.922 -6.334 -4.361 1.00 0.00 C ATOM 1005 CE LYS A 61 54.699 -6.689 -5.632 1.00 0.00 C ATOM 1006 NZ LYS A 61 54.382 -8.122 -5.885 1.00 0.00 N ATOM 0 H LYS A 61 51.878 -3.927 -3.465 1.00 0.00 H new ATOM 0 HA LYS A 61 52.797 -6.382 -2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 61 53.727 -3.714 -3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.579 -4.250 -1.703 1.00 0.00 H new ATOM 0 HG2 LYS A 61 55.570 -4.987 -3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 61 55.380 -6.239 -2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 61 53.565 -7.242 -3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 61 53.043 -5.741 -4.613 1.00 0.00 H new ATOM 0 HE2 LYS A 61 54.394 -6.063 -6.470 1.00 0.00 H new ATOM 0 HE3 LYS A 61 55.770 -6.539 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 54.750 -8.400 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 54.823 -8.710 -5.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 53.351 -8.258 -5.866 1.00 0.00 H new ATOM 1020 N ARG A 62 52.385 -3.706 -0.274 1.00 0.00 N ATOM 1021 CA ARG A 62 52.193 -3.348 1.154 1.00 0.00 C ATOM 1022 C ARG A 62 51.064 -4.177 1.756 1.00 0.00 C ATOM 1023 O ARG A 62 51.040 -4.446 2.941 1.00 0.00 O ATOM 1024 CB ARG A 62 51.844 -1.861 1.160 1.00 0.00 C ATOM 1025 CG ARG A 62 50.520 -1.649 0.429 1.00 0.00 C ATOM 1026 CD ARG A 62 50.233 -0.150 0.312 1.00 0.00 C ATOM 1027 NE ARG A 62 49.144 0.111 1.292 1.00 0.00 N ATOM 1028 CZ ARG A 62 49.295 1.036 2.201 1.00 0.00 C ATOM 1029 NH1 ARG A 62 49.931 2.139 1.910 1.00 0.00 N ATOM 1030 NH2 ARG A 62 48.809 0.858 3.399 1.00 0.00 N ATOM 0 H ARG A 62 52.417 -2.922 -0.926 1.00 0.00 H new ATOM 0 HA ARG A 62 53.083 -3.548 1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 62 51.769 -1.498 2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.635 -1.288 0.676 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.564 -2.100 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 62 49.712 -2.143 0.968 1.00 0.00 H new ATOM 0 HD2 ARG A 62 51.120 0.441 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.926 0.115 -0.700 1.00 0.00 H new ATOM 0 HE ARG A 62 48.281 -0.432 1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 62 50.309 2.277 0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 62 50.049 2.862 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 62 48.312 -0.003 3.625 1.00 0.00 H new ATOM 0 HH22 ARG A 62 48.927 1.580 4.110 1.00 0.00 H new ATOM 1044 N ALA A 63 50.145 -4.602 0.946 1.00 0.00 N ATOM 1045 CA ALA A 63 49.030 -5.438 1.462 1.00 0.00 C ATOM 1046 C ALA A 63 49.464 -6.898 1.427 1.00 0.00 C ATOM 1047 O ALA A 63 48.945 -7.737 2.136 1.00 0.00 O ATOM 1048 CB ALA A 63 47.862 -5.190 0.506 1.00 0.00 C ATOM 0 H ALA A 63 50.115 -4.407 -0.055 1.00 0.00 H new ATOM 0 HA ALA A 63 48.750 -5.197 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 63 47.000 -5.776 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 63 47.604 -4.131 0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.149 -5.486 -0.503 1.00 0.00 H new ATOM 1054 N ALA A 64 50.426 -7.197 0.597 1.00 0.00 N ATOM 1055 CA ALA A 64 50.926 -8.594 0.496 1.00 0.00 C ATOM 1056 C ALA A 64 52.074 -8.821 1.481 1.00 0.00 C ATOM 1057 O ALA A 64 52.100 -9.799 2.200 1.00 0.00 O ATOM 1058 CB ALA A 64 51.412 -8.740 -0.947 1.00 0.00 C ATOM 0 H ALA A 64 50.889 -6.528 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 64 50.156 -9.326 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 64 51.797 -9.748 -1.101 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.582 -8.561 -1.630 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.204 -8.016 -1.139 1.00 0.00 H new ATOM 1064 N TYR A 65 53.033 -7.930 1.515 1.00 0.00 N ATOM 1065 CA TYR A 65 54.175 -8.115 2.450 1.00 0.00 C ATOM 1066 C TYR A 65 53.717 -7.941 3.898 1.00 0.00 C ATOM 1067 O TYR A 65 54.322 -8.460 4.815 1.00 0.00 O ATOM 1068 CB TYR A 65 55.180 -7.039 2.055 1.00 0.00 C ATOM 1069 CG TYR A 65 56.154 -7.626 1.062 1.00 0.00 C ATOM 1070 CD1 TYR A 65 56.890 -8.770 1.398 1.00 0.00 C ATOM 1071 CD2 TYR A 65 56.316 -7.035 -0.194 1.00 0.00 C ATOM 1072 CE1 TYR A 65 57.786 -9.320 0.475 1.00 0.00 C ATOM 1073 CE2 TYR A 65 57.214 -7.586 -1.117 1.00 0.00 C ATOM 1074 CZ TYR A 65 57.950 -8.727 -0.781 1.00 0.00 C ATOM 1075 OH TYR A 65 58.834 -9.268 -1.692 1.00 0.00 O ATOM 0 H TYR A 65 53.071 -7.089 0.939 1.00 0.00 H new ATOM 0 HA TYR A 65 54.607 -9.114 2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 65 54.665 -6.183 1.618 1.00 0.00 H new ATOM 0 HB3 TYR A 65 55.711 -6.676 2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 65 56.766 -9.227 2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 65 55.749 -6.153 -0.453 1.00 0.00 H new ATOM 0 HE1 TYR A 65 58.352 -10.203 0.733 1.00 0.00 H new ATOM 0 HE2 TYR A 65 57.338 -7.130 -2.088 1.00 0.00 H new ATOM 0 HH TYR A 65 59.713 -9.374 -1.272 1.00 0.00 H new