USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=14 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 Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot -17:sc= -8.79! 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+ 177:sc= 0 (180deg=-0.00298) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.896) USER MOD Single : A 29 MET CE :methyl -107:sc=-0.00492 (180deg=-0.2) 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= -7.76! C(o=-7.8!,f=-6.1!) USER MOD Single : A 36 ASN : amide:sc= -4.45 K(o=-4.5,f=-2.9!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.0071) 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+ 165:sc= -2.73! (180deg=-2.87!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 93:sc= -1.98! USER MOD Single : A 57 THR OG1 : rot -64:sc= 0.51! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 65.147 -5.616 3.688 1.00 0.00 N ATOM 53 CA ASP A 4 63.904 -5.954 2.940 1.00 0.00 C ATOM 54 C ASP A 4 63.068 -4.692 2.773 1.00 0.00 C ATOM 55 O ASP A 4 62.333 -4.316 3.649 1.00 0.00 O ATOM 56 CB ASP A 4 63.220 -7.043 3.800 1.00 0.00 C ATOM 57 CG ASP A 4 61.803 -6.643 4.228 1.00 0.00 C ATOM 58 OD1 ASP A 4 61.042 -6.224 3.374 1.00 0.00 O ATOM 59 OD2 ASP A 4 61.505 -6.762 5.405 1.00 0.00 O ATOM 0 HA ASP A 4 64.071 -6.328 1.930 1.00 0.00 H new ATOM 0 HB2 ASP A 4 63.177 -7.975 3.236 1.00 0.00 H new ATOM 0 HB3 ASP A 4 63.824 -7.235 4.687 1.00 0.00 H new ATOM 64 N TYR A 5 63.215 -4.037 1.641 1.00 0.00 N ATOM 65 CA TYR A 5 62.469 -2.763 1.353 1.00 0.00 C ATOM 66 C TYR A 5 61.988 -2.099 2.647 1.00 0.00 C ATOM 67 O TYR A 5 62.602 -1.178 3.142 1.00 0.00 O ATOM 68 CB TYR A 5 61.284 -3.134 0.452 1.00 0.00 C ATOM 69 CG TYR A 5 61.079 -4.632 0.399 1.00 0.00 C ATOM 70 CD1 TYR A 5 61.879 -5.409 -0.445 1.00 0.00 C ATOM 71 CD2 TYR A 5 60.093 -5.237 1.183 1.00 0.00 C ATOM 72 CE1 TYR A 5 61.693 -6.794 -0.507 1.00 0.00 C ATOM 73 CE2 TYR A 5 59.905 -6.624 1.122 1.00 0.00 C ATOM 74 CZ TYR A 5 60.705 -7.402 0.276 1.00 0.00 C ATOM 75 OH TYR A 5 60.522 -8.770 0.216 1.00 0.00 O ATOM 0 H TYR A 5 63.834 -4.338 0.888 1.00 0.00 H new ATOM 0 HA TYR A 5 63.119 -2.041 0.859 1.00 0.00 H new ATOM 0 HB2 TYR A 5 60.378 -2.654 0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 5 61.457 -2.753 -0.555 1.00 0.00 H new ATOM 0 HD1 TYR A 5 62.641 -4.939 -1.049 1.00 0.00 H new ATOM 0 HD2 TYR A 5 59.477 -4.636 1.835 1.00 0.00 H new ATOM 0 HE1 TYR A 5 62.311 -7.394 -1.159 1.00 0.00 H new ATOM 0 HE2 TYR A 5 59.143 -7.093 1.727 1.00 0.00 H new ATOM 0 HH TYR A 5 59.797 -9.030 0.822 1.00 0.00 H new ATOM 85 N TYR A 6 60.919 -2.570 3.223 1.00 0.00 N ATOM 86 CA TYR A 6 60.471 -1.966 4.502 1.00 0.00 C ATOM 87 C TYR A 6 61.689 -1.780 5.407 1.00 0.00 C ATOM 88 O TYR A 6 61.784 -0.826 6.152 1.00 0.00 O ATOM 89 CB TYR A 6 59.471 -2.947 5.078 1.00 0.00 C ATOM 90 CG TYR A 6 58.144 -2.706 4.399 1.00 0.00 C ATOM 91 CD1 TYR A 6 57.442 -1.527 4.658 1.00 0.00 C ATOM 92 CD2 TYR A 6 57.624 -3.654 3.509 1.00 0.00 C ATOM 93 CE1 TYR A 6 56.218 -1.291 4.029 1.00 0.00 C ATOM 94 CE2 TYR A 6 56.396 -3.418 2.879 1.00 0.00 C ATOM 95 CZ TYR A 6 55.696 -2.233 3.143 1.00 0.00 C ATOM 96 OH TYR A 6 54.489 -1.989 2.531 1.00 0.00 O ATOM 0 H TYR A 6 60.345 -3.335 2.869 1.00 0.00 H new ATOM 0 HA TYR A 6 60.010 -0.985 4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 6 59.803 -3.972 4.914 1.00 0.00 H new ATOM 0 HB3 TYR A 6 59.379 -2.810 6.155 1.00 0.00 H new ATOM 0 HD1 TYR A 6 57.846 -0.798 5.345 1.00 0.00 H new ATOM 0 HD2 TYR A 6 58.169 -4.565 3.309 1.00 0.00 H new ATOM 0 HE1 TYR A 6 55.675 -0.379 4.229 1.00 0.00 H new ATOM 0 HE2 TYR A 6 55.990 -4.146 2.192 1.00 0.00 H new ATOM 0 HH TYR A 6 54.015 -1.279 3.013 1.00 0.00 H new ATOM 106 N GLU A 7 62.658 -2.660 5.296 1.00 0.00 N ATOM 107 CA GLU A 7 63.900 -2.494 6.093 1.00 0.00 C ATOM 108 C GLU A 7 64.867 -1.646 5.266 1.00 0.00 C ATOM 109 O GLU A 7 65.647 -0.874 5.788 1.00 0.00 O ATOM 110 CB GLU A 7 64.446 -3.903 6.311 1.00 0.00 C ATOM 111 CG GLU A 7 64.524 -4.190 7.811 1.00 0.00 C ATOM 112 CD GLU A 7 63.216 -4.835 8.275 1.00 0.00 C ATOM 113 OE1 GLU A 7 62.749 -5.734 7.596 1.00 0.00 O ATOM 114 OE2 GLU A 7 62.704 -4.417 9.300 1.00 0.00 O ATOM 0 H GLU A 7 62.636 -3.479 4.689 1.00 0.00 H new ATOM 0 HA GLU A 7 63.742 -2.001 7.052 1.00 0.00 H new ATOM 0 HB2 GLU A 7 63.802 -4.634 5.822 1.00 0.00 H new ATOM 0 HB3 GLU A 7 65.434 -3.996 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 7 65.364 -4.852 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 7 64.701 -3.265 8.360 1.00 0.00 H new ATOM 121 N ILE A 8 64.793 -1.775 3.962 1.00 0.00 N ATOM 122 CA ILE A 8 65.673 -0.968 3.072 1.00 0.00 C ATOM 123 C ILE A 8 65.631 0.488 3.526 1.00 0.00 C ATOM 124 O ILE A 8 66.640 1.147 3.684 1.00 0.00 O ATOM 125 CB ILE A 8 65.061 -1.104 1.685 1.00 0.00 C ATOM 126 CG1 ILE A 8 65.384 -2.495 1.123 1.00 0.00 C ATOM 127 CG2 ILE A 8 65.633 -0.033 0.767 1.00 0.00 C ATOM 128 CD1 ILE A 8 66.849 -2.552 0.685 1.00 0.00 C ATOM 0 H ILE A 8 64.157 -2.409 3.479 1.00 0.00 H new ATOM 0 HA ILE A 8 66.712 -1.297 3.088 1.00 0.00 H new ATOM 0 HB ILE A 8 63.980 -0.980 1.749 1.00 0.00 H new ATOM 0 HG12 ILE A 8 65.192 -3.256 1.879 1.00 0.00 H new ATOM 0 HG13 ILE A 8 64.733 -2.715 0.277 1.00 0.00 H new ATOM 0 HG21 ILE A 8 65.194 -0.132 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 8 65.401 0.953 1.170 1.00 0.00 H new ATOM 0 HG23 ILE A 8 66.714 -0.152 0.699 1.00 0.00 H new ATOM 0 HD11 ILE A 8 67.072 -3.542 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 8 67.028 -1.802 -0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 8 67.493 -2.352 1.541 1.00 0.00 H new ATOM 140 N LEU A 9 64.445 0.971 3.752 1.00 0.00 N ATOM 141 CA LEU A 9 64.253 2.370 4.224 1.00 0.00 C ATOM 142 C LEU A 9 64.511 2.418 5.727 1.00 0.00 C ATOM 143 O LEU A 9 64.812 3.448 6.296 1.00 0.00 O ATOM 144 CB LEU A 9 62.782 2.640 3.925 1.00 0.00 C ATOM 145 CG LEU A 9 62.520 2.365 2.450 1.00 0.00 C ATOM 146 CD1 LEU A 9 61.533 1.204 2.311 1.00 0.00 C ATOM 147 CD2 LEU A 9 61.942 3.619 1.790 1.00 0.00 C ATOM 0 H LEU A 9 63.581 0.444 3.627 1.00 0.00 H new ATOM 0 HA LEU A 9 64.916 3.097 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 9 62.149 2.006 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 9 62.532 3.673 4.166 1.00 0.00 H new ATOM 0 HG LEU A 9 63.456 2.100 1.959 1.00 0.00 H new ATOM 0 HD11 LEU A 9 61.347 1.009 1.255 1.00 0.00 H new ATOM 0 HD12 LEU A 9 61.953 0.312 2.776 1.00 0.00 H new ATOM 0 HD13 LEU A 9 60.595 1.463 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 9 61.755 3.421 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 9 61.007 3.890 2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 9 62.652 4.440 1.885 1.00 0.00 H new ATOM 159 N GLY A 10 64.384 1.294 6.372 1.00 0.00 N ATOM 160 CA GLY A 10 64.598 1.242 7.838 1.00 0.00 C ATOM 161 C GLY A 10 63.234 1.257 8.524 1.00 0.00 C ATOM 162 O GLY A 10 63.125 1.506 9.709 1.00 0.00 O ATOM 0 H GLY A 10 64.139 0.403 5.940 1.00 0.00 H new ATOM 0 HA2 GLY A 10 65.149 0.342 8.109 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.196 2.093 8.165 1.00 0.00 H new ATOM 166 N VAL A 11 62.186 0.999 7.782 1.00 0.00 N ATOM 167 CA VAL A 11 60.823 1.008 8.403 1.00 0.00 C ATOM 168 C VAL A 11 60.348 -0.412 8.701 1.00 0.00 C ATOM 169 O VAL A 11 61.060 -1.377 8.512 1.00 0.00 O ATOM 170 CB VAL A 11 59.849 1.641 7.397 1.00 0.00 C ATOM 171 CG1 VAL A 11 59.181 2.853 8.036 1.00 0.00 C ATOM 172 CG2 VAL A 11 60.546 2.081 6.115 1.00 0.00 C ATOM 0 H VAL A 11 62.212 0.785 6.785 1.00 0.00 H new ATOM 0 HA VAL A 11 60.860 1.568 9.337 1.00 0.00 H new ATOM 0 HB VAL A 11 59.112 0.882 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 11 58.489 3.304 7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.634 2.540 8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 11 59.941 3.582 8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 11 59.816 2.522 5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 11 61.312 2.819 6.352 1.00 0.00 H new ATOM 0 HG23 VAL A 11 61.009 1.217 5.638 1.00 0.00 H new ATOM 182 N SER A 12 59.132 -0.535 9.160 1.00 0.00 N ATOM 183 CA SER A 12 58.576 -1.879 9.466 1.00 0.00 C ATOM 184 C SER A 12 57.946 -2.488 8.219 1.00 0.00 C ATOM 185 O SER A 12 57.420 -1.794 7.374 1.00 0.00 O ATOM 186 CB SER A 12 57.517 -1.639 10.541 1.00 0.00 C ATOM 187 OG SER A 12 57.938 -2.239 11.760 1.00 0.00 O ATOM 0 H SER A 12 58.498 0.244 9.336 1.00 0.00 H new ATOM 0 HA SER A 12 59.345 -2.574 9.803 1.00 0.00 H new ATOM 0 HB2 SER A 12 57.363 -0.569 10.683 1.00 0.00 H new ATOM 0 HB3 SER A 12 56.562 -2.059 10.227 1.00 0.00 H new ATOM 0 HG SER A 12 57.261 -2.085 12.451 1.00 0.00 H new ATOM 193 N LYS A 13 57.985 -3.786 8.101 1.00 0.00 N ATOM 194 CA LYS A 13 57.373 -4.433 6.912 1.00 0.00 C ATOM 195 C LYS A 13 55.946 -3.923 6.731 1.00 0.00 C ATOM 196 O LYS A 13 55.375 -4.004 5.661 1.00 0.00 O ATOM 197 CB LYS A 13 57.414 -5.923 7.204 1.00 0.00 C ATOM 198 CG LYS A 13 56.379 -6.277 8.273 1.00 0.00 C ATOM 199 CD LYS A 13 56.629 -7.701 8.777 1.00 0.00 C ATOM 200 CE LYS A 13 55.572 -8.068 9.822 1.00 0.00 C ATOM 201 NZ LYS A 13 56.224 -7.806 11.137 1.00 0.00 N ATOM 0 H LYS A 13 58.412 -4.422 8.774 1.00 0.00 H new ATOM 0 HA LYS A 13 57.900 -4.209 5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 13 57.214 -6.486 6.292 1.00 0.00 H new ATOM 0 HB3 LYS A 13 58.410 -6.208 7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 13 56.441 -5.571 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 13 55.373 -6.198 7.860 1.00 0.00 H new ATOM 0 HD2 LYS A 13 56.592 -8.404 7.945 1.00 0.00 H new ATOM 0 HD3 LYS A 13 57.626 -7.774 9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 13 54.671 -7.466 9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 13 55.272 -9.112 9.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 55.561 -8.034 11.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 57.075 -8.398 11.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 56.492 -6.803 11.198 1.00 0.00 H new ATOM 215 N THR A 14 55.377 -3.374 7.767 1.00 0.00 N ATOM 216 CA THR A 14 53.999 -2.826 7.665 1.00 0.00 C ATOM 217 C THR A 14 54.065 -1.296 7.744 1.00 0.00 C ATOM 218 O THR A 14 53.069 -0.632 7.949 1.00 0.00 O ATOM 219 CB THR A 14 53.241 -3.404 8.867 1.00 0.00 C ATOM 220 OG1 THR A 14 53.474 -2.590 10.008 1.00 0.00 O ATOM 221 CG2 THR A 14 53.721 -4.831 9.148 1.00 0.00 C ATOM 0 H THR A 14 55.811 -3.281 8.685 1.00 0.00 H new ATOM 0 HA THR A 14 53.506 -3.087 6.729 1.00 0.00 H new ATOM 0 HB THR A 14 52.174 -3.424 8.644 1.00 0.00 H new ATOM 0 HG1 THR A 14 52.989 -2.957 10.776 1.00 0.00 H new ATOM 0 HG21 THR A 14 53.179 -5.236 10.003 1.00 0.00 H new ATOM 0 HG22 THR A 14 53.538 -5.455 8.273 1.00 0.00 H new ATOM 0 HG23 THR A 14 54.788 -4.819 9.368 1.00 0.00 H new ATOM 229 N ALA A 15 55.246 -0.741 7.590 1.00 0.00 N ATOM 230 CA ALA A 15 55.422 0.736 7.651 1.00 0.00 C ATOM 231 C ALA A 15 54.484 1.468 6.686 1.00 0.00 C ATOM 232 O ALA A 15 53.322 1.146 6.547 1.00 0.00 O ATOM 233 CB ALA A 15 56.863 0.934 7.220 1.00 0.00 C ATOM 0 H ALA A 15 56.106 -1.264 7.422 1.00 0.00 H new ATOM 0 HA ALA A 15 55.195 1.134 8.640 1.00 0.00 H new ATOM 0 HB1 ALA A 15 57.103 1.997 7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 15 57.524 0.407 7.908 1.00 0.00 H new ATOM 0 HB3 ALA A 15 56.999 0.540 6.213 1.00 0.00 H new ATOM 239 N GLU A 16 54.996 2.463 6.024 1.00 0.00 N ATOM 240 CA GLU A 16 54.182 3.244 5.070 1.00 0.00 C ATOM 241 C GLU A 16 55.111 4.100 4.212 1.00 0.00 C ATOM 242 O GLU A 16 56.315 3.960 4.247 1.00 0.00 O ATOM 243 CB GLU A 16 53.284 4.121 5.942 1.00 0.00 C ATOM 244 CG GLU A 16 51.846 3.606 5.872 1.00 0.00 C ATOM 245 CD GLU A 16 50.927 4.556 6.643 1.00 0.00 C ATOM 246 OE1 GLU A 16 50.423 5.486 6.034 1.00 0.00 O ATOM 247 OE2 GLU A 16 50.741 4.336 7.829 1.00 0.00 O ATOM 0 H GLU A 16 55.965 2.771 6.109 1.00 0.00 H new ATOM 0 HA GLU A 16 53.594 2.621 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 16 53.636 4.109 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 16 53.328 5.156 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 16 51.524 3.534 4.833 1.00 0.00 H new ATOM 0 HG3 GLU A 16 51.787 2.603 6.294 1.00 0.00 H new ATOM 254 N GLU A 17 54.558 4.980 3.445 1.00 0.00 N ATOM 255 CA GLU A 17 55.398 5.852 2.569 1.00 0.00 C ATOM 256 C GLU A 17 55.834 7.121 3.312 1.00 0.00 C ATOM 257 O GLU A 17 56.616 7.903 2.808 1.00 0.00 O ATOM 258 CB GLU A 17 54.497 6.207 1.386 1.00 0.00 C ATOM 259 CG GLU A 17 53.397 7.165 1.849 1.00 0.00 C ATOM 260 CD GLU A 17 53.692 8.571 1.323 1.00 0.00 C ATOM 261 OE1 GLU A 17 54.827 8.817 0.951 1.00 0.00 O ATOM 262 OE2 GLU A 17 52.777 9.378 1.302 1.00 0.00 O ATOM 0 H GLU A 17 53.553 5.142 3.379 1.00 0.00 H new ATOM 0 HA GLU A 17 56.313 5.350 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 17 55.086 6.669 0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 17 54.054 5.303 0.969 1.00 0.00 H new ATOM 0 HG2 GLU A 17 52.427 6.825 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 17 53.344 7.176 2.938 1.00 0.00 H new ATOM 269 N ARG A 18 55.331 7.342 4.496 1.00 0.00 N ATOM 270 CA ARG A 18 55.724 8.577 5.245 1.00 0.00 C ATOM 271 C ARG A 18 57.070 8.384 5.941 1.00 0.00 C ATOM 272 O ARG A 18 57.825 9.319 6.119 1.00 0.00 O ATOM 273 CB ARG A 18 54.609 8.812 6.269 1.00 0.00 C ATOM 274 CG ARG A 18 54.295 7.507 7.003 1.00 0.00 C ATOM 275 CD ARG A 18 54.123 7.786 8.498 1.00 0.00 C ATOM 276 NE ARG A 18 52.654 7.702 8.737 1.00 0.00 N ATOM 277 CZ ARG A 18 51.889 8.730 8.484 1.00 0.00 C ATOM 278 NH1 ARG A 18 51.388 8.892 7.291 1.00 0.00 N ATOM 279 NH2 ARG A 18 51.622 9.595 9.425 1.00 0.00 N ATOM 0 H ARG A 18 54.671 6.730 4.976 1.00 0.00 H new ATOM 0 HA ARG A 18 55.841 9.431 4.578 1.00 0.00 H new ATOM 0 HB2 ARG A 18 54.914 9.577 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.715 9.182 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 18 53.386 7.061 6.599 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.099 6.788 6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 18 54.664 7.056 9.101 1.00 0.00 H new ATOM 0 HD3 ARG A 18 54.511 8.769 8.764 1.00 0.00 H new ATOM 0 HE ARG A 18 52.246 6.840 9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 18 51.594 8.216 6.555 1.00 0.00 H new ATOM 0 HH12 ARG A 18 50.791 9.695 7.093 1.00 0.00 H new ATOM 0 HH21 ARG A 18 52.011 9.468 10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 18 51.024 10.397 9.226 1.00 0.00 H new ATOM 293 N GLU A 19 57.393 7.179 6.299 1.00 0.00 N ATOM 294 CA GLU A 19 58.705 6.915 6.938 1.00 0.00 C ATOM 295 C GLU A 19 59.633 6.352 5.869 1.00 0.00 C ATOM 296 O GLU A 19 60.839 6.345 6.013 1.00 0.00 O ATOM 297 CB GLU A 19 58.480 5.890 8.068 1.00 0.00 C ATOM 298 CG GLU A 19 57.148 5.147 7.910 1.00 0.00 C ATOM 299 CD GLU A 19 56.919 4.247 9.125 1.00 0.00 C ATOM 300 OE1 GLU A 19 57.757 4.256 10.010 1.00 0.00 O ATOM 301 OE2 GLU A 19 55.908 3.564 9.150 1.00 0.00 O ATOM 0 H GLU A 19 56.800 6.359 6.175 1.00 0.00 H new ATOM 0 HA GLU A 19 59.149 7.817 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 19 59.299 5.170 8.073 1.00 0.00 H new ATOM 0 HB3 GLU A 19 58.499 6.401 9.031 1.00 0.00 H new ATOM 0 HG2 GLU A 19 56.330 5.861 7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 19 57.158 4.550 6.998 1.00 0.00 H new ATOM 308 N ILE A 20 59.071 5.925 4.765 1.00 0.00 N ATOM 309 CA ILE A 20 59.914 5.416 3.653 1.00 0.00 C ATOM 310 C ILE A 20 60.444 6.644 2.927 1.00 0.00 C ATOM 311 O ILE A 20 61.635 6.844 2.799 1.00 0.00 O ATOM 312 CB ILE A 20 58.972 4.574 2.771 1.00 0.00 C ATOM 313 CG1 ILE A 20 59.324 3.096 2.934 1.00 0.00 C ATOM 314 CG2 ILE A 20 59.118 4.953 1.289 1.00 0.00 C ATOM 315 CD1 ILE A 20 58.314 2.423 3.863 1.00 0.00 C ATOM 0 H ILE A 20 58.066 5.909 4.591 1.00 0.00 H new ATOM 0 HA ILE A 20 60.760 4.801 3.960 1.00 0.00 H new ATOM 0 HB ILE A 20 57.945 4.765 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 20 59.323 2.603 1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 20 60.330 2.995 3.341 1.00 0.00 H new ATOM 0 HG21 ILE A 20 58.442 4.344 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 20 58.871 6.006 1.157 1.00 0.00 H new ATOM 0 HG23 ILE A 20 60.145 4.778 0.968 1.00 0.00 H new ATOM 0 HD11 ILE A 20 58.569 1.369 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 20 58.337 2.909 4.839 1.00 0.00 H new ATOM 0 HD13 ILE A 20 57.314 2.510 3.438 1.00 0.00 H new ATOM 327 N ARG A 21 59.553 7.498 2.501 1.00 0.00 N ATOM 328 CA ARG A 21 60.003 8.745 1.845 1.00 0.00 C ATOM 329 C ARG A 21 61.015 9.385 2.775 1.00 0.00 C ATOM 330 O ARG A 21 61.947 10.034 2.355 1.00 0.00 O ATOM 331 CB ARG A 21 58.744 9.614 1.726 1.00 0.00 C ATOM 332 CG ARG A 21 58.258 10.015 3.125 1.00 0.00 C ATOM 333 CD ARG A 21 59.092 11.188 3.655 1.00 0.00 C ATOM 334 NE ARG A 21 58.149 12.338 3.719 1.00 0.00 N ATOM 335 CZ ARG A 21 58.608 13.542 3.923 1.00 0.00 C ATOM 336 NH1 ARG A 21 59.567 13.735 4.787 1.00 0.00 N ATOM 337 NH2 ARG A 21 58.109 14.553 3.264 1.00 0.00 N ATOM 0 H ARG A 21 58.543 7.382 2.581 1.00 0.00 H new ATOM 0 HA ARG A 21 60.460 8.600 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 21 58.960 10.505 1.136 1.00 0.00 H new ATOM 0 HB3 ARG A 21 57.961 9.067 1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 21 57.205 10.295 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 21 58.338 9.166 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 21 59.507 10.964 4.638 1.00 0.00 H new ATOM 0 HD3 ARG A 21 59.932 11.404 2.995 1.00 0.00 H new ATOM 0 HE ARG A 21 57.147 12.185 3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 21 59.956 12.945 5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 21 59.927 14.676 4.948 1.00 0.00 H new ATOM 0 HH21 ARG A 21 57.359 14.402 2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 21 58.469 15.494 3.424 1.00 0.00 H new ATOM 351 N LYS A 22 60.813 9.176 4.049 1.00 0.00 N ATOM 352 CA LYS A 22 61.713 9.721 5.083 1.00 0.00 C ATOM 353 C LYS A 22 63.028 8.945 5.094 1.00 0.00 C ATOM 354 O LYS A 22 64.091 9.506 4.954 1.00 0.00 O ATOM 355 CB LYS A 22 60.946 9.503 6.392 1.00 0.00 C ATOM 356 CG LYS A 22 61.420 10.508 7.448 1.00 0.00 C ATOM 357 CD LYS A 22 62.897 10.268 7.785 1.00 0.00 C ATOM 358 CE LYS A 22 63.055 8.909 8.476 1.00 0.00 C ATOM 359 NZ LYS A 22 63.016 9.212 9.933 1.00 0.00 N ATOM 0 H LYS A 22 60.033 8.631 4.417 1.00 0.00 H new ATOM 0 HA LYS A 22 61.969 10.768 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 22 59.876 9.620 6.220 1.00 0.00 H new ATOM 0 HB3 LYS A 22 61.102 8.485 6.750 1.00 0.00 H new ATOM 0 HG2 LYS A 22 61.285 11.525 7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 22 60.814 10.412 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 22 63.497 10.296 6.875 1.00 0.00 H new ATOM 0 HD3 LYS A 22 63.265 11.062 8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 22 62.254 8.227 8.193 1.00 0.00 H new ATOM 0 HE3 LYS A 22 63.994 8.431 8.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.067 8.325 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.824 9.817 10.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 62.130 9.706 10.161 1.00 0.00 H new ATOM 373 N ALA A 23 62.967 7.658 5.258 1.00 0.00 N ATOM 374 CA ALA A 23 64.216 6.853 5.279 1.00 0.00 C ATOM 375 C ALA A 23 65.112 7.257 4.111 1.00 0.00 C ATOM 376 O ALA A 23 66.266 7.592 4.285 1.00 0.00 O ATOM 377 CB ALA A 23 63.746 5.417 5.111 1.00 0.00 C ATOM 0 H ALA A 23 62.105 7.126 5.379 1.00 0.00 H new ATOM 0 HA ALA A 23 64.794 6.995 6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 23 64.608 4.749 5.115 1.00 0.00 H new ATOM 0 HB2 ALA A 23 63.079 5.154 5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 23 63.214 5.317 4.165 1.00 0.00 H new ATOM 383 N TYR A 24 64.579 7.240 2.924 1.00 0.00 N ATOM 384 CA TYR A 24 65.380 7.628 1.740 1.00 0.00 C ATOM 385 C TYR A 24 65.655 9.123 1.797 1.00 0.00 C ATOM 386 O TYR A 24 66.509 9.639 1.116 1.00 0.00 O ATOM 387 CB TYR A 24 64.498 7.268 0.542 1.00 0.00 C ATOM 388 CG TYR A 24 65.338 7.212 -0.712 1.00 0.00 C ATOM 389 CD1 TYR A 24 66.604 6.614 -0.685 1.00 0.00 C ATOM 390 CD2 TYR A 24 64.852 7.766 -1.902 1.00 0.00 C ATOM 391 CE1 TYR A 24 67.382 6.570 -1.849 1.00 0.00 C ATOM 392 CE2 TYR A 24 65.630 7.722 -3.065 1.00 0.00 C ATOM 393 CZ TYR A 24 66.895 7.125 -3.038 1.00 0.00 C ATOM 394 OH TYR A 24 67.664 7.080 -4.184 1.00 0.00 O ATOM 0 H TYR A 24 63.615 6.972 2.725 1.00 0.00 H new ATOM 0 HA TYR A 24 66.346 7.127 1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 24 64.015 6.306 0.710 1.00 0.00 H new ATOM 0 HB3 TYR A 24 63.705 8.007 0.427 1.00 0.00 H new ATOM 0 HD1 TYR A 24 66.980 6.187 0.233 1.00 0.00 H new ATOM 0 HD2 TYR A 24 63.876 8.228 -1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 24 68.358 6.108 -1.829 1.00 0.00 H new ATOM 0 HE2 TYR A 24 65.254 8.149 -3.983 1.00 0.00 H new ATOM 0 HH TYR A 24 67.179 7.508 -4.920 1.00 0.00 H new ATOM 404 N LYS A 25 64.934 9.827 2.615 1.00 0.00 N ATOM 405 CA LYS A 25 65.155 11.275 2.736 1.00 0.00 C ATOM 406 C LYS A 25 66.175 11.539 3.848 1.00 0.00 C ATOM 407 O LYS A 25 67.026 12.400 3.740 1.00 0.00 O ATOM 408 CB LYS A 25 63.758 11.781 3.057 1.00 0.00 C ATOM 409 CG LYS A 25 63.804 12.976 3.991 1.00 0.00 C ATOM 410 CD LYS A 25 63.343 12.478 5.346 1.00 0.00 C ATOM 411 CE LYS A 25 63.818 13.434 6.440 1.00 0.00 C ATOM 412 NZ LYS A 25 63.377 14.782 5.991 1.00 0.00 N ATOM 0 H LYS A 25 64.195 9.451 3.209 1.00 0.00 H new ATOM 0 HA LYS A 25 65.570 11.769 1.857 1.00 0.00 H new ATOM 0 HB2 LYS A 25 63.248 12.058 2.134 1.00 0.00 H new ATOM 0 HB3 LYS A 25 63.176 10.981 3.515 1.00 0.00 H new ATOM 0 HG2 LYS A 25 64.813 13.384 4.050 1.00 0.00 H new ATOM 0 HG3 LYS A 25 63.157 13.776 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 25 62.256 12.401 5.365 1.00 0.00 H new ATOM 0 HD3 LYS A 25 63.736 11.478 5.529 1.00 0.00 H new ATOM 0 HE2 LYS A 25 63.382 13.177 7.405 1.00 0.00 H new ATOM 0 HE3 LYS A 25 64.901 13.392 6.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 63.255 15.401 6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 64.094 15.189 5.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 62.473 14.700 5.483 1.00 0.00 H new ATOM 426 N ARG A 26 66.090 10.796 4.916 1.00 0.00 N ATOM 427 CA ARG A 26 67.044 10.985 6.041 1.00 0.00 C ATOM 428 C ARG A 26 68.306 10.137 5.828 1.00 0.00 C ATOM 429 O ARG A 26 69.404 10.555 6.139 1.00 0.00 O ATOM 430 CB ARG A 26 66.288 10.512 7.281 1.00 0.00 C ATOM 431 CG ARG A 26 65.823 11.727 8.083 1.00 0.00 C ATOM 432 CD ARG A 26 66.030 11.464 9.577 1.00 0.00 C ATOM 433 NE ARG A 26 67.030 12.478 10.014 1.00 0.00 N ATOM 434 CZ ARG A 26 66.751 13.286 10.999 1.00 0.00 C ATOM 435 NH1 ARG A 26 65.738 14.104 10.904 1.00 0.00 N ATOM 436 NH2 ARG A 26 67.485 13.283 12.077 1.00 0.00 N ATOM 0 H ARG A 26 65.396 10.062 5.057 1.00 0.00 H new ATOM 0 HA ARG A 26 67.373 12.020 6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 26 65.431 9.905 6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 26 66.931 9.881 7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 26 66.381 12.612 7.778 1.00 0.00 H new ATOM 0 HG3 ARG A 26 64.771 11.928 7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 26 65.096 11.568 10.129 1.00 0.00 H new ATOM 0 HD3 ARG A 26 66.393 10.451 9.753 1.00 0.00 H new ATOM 0 HE ARG A 26 67.933 12.540 9.543 1.00 0.00 H new ATOM 0 HH11 ARG A 26 65.165 14.111 10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 26 65.519 14.736 11.674 1.00 0.00 H new ATOM 0 HH21 ARG A 26 68.280 12.648 12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 26 67.265 13.916 12.846 1.00 0.00 H new ATOM 450 N LEU A 27 68.159 8.944 5.309 1.00 0.00 N ATOM 451 CA LEU A 27 69.348 8.072 5.089 1.00 0.00 C ATOM 452 C LEU A 27 70.087 8.487 3.824 1.00 0.00 C ATOM 453 O LEU A 27 71.294 8.383 3.736 1.00 0.00 O ATOM 454 CB LEU A 27 68.794 6.645 4.952 1.00 0.00 C ATOM 455 CG LEU A 27 68.361 6.365 3.509 1.00 0.00 C ATOM 456 CD1 LEU A 27 69.557 5.848 2.706 1.00 0.00 C ATOM 457 CD2 LEU A 27 67.252 5.309 3.511 1.00 0.00 C ATOM 0 H LEU A 27 67.266 8.538 5.029 1.00 0.00 H new ATOM 0 HA LEU A 27 70.062 8.147 5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 27 69.554 5.925 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 27 67.945 6.514 5.623 1.00 0.00 H new ATOM 0 HG LEU A 27 67.991 7.284 3.054 1.00 0.00 H new ATOM 0 HD11 LEU A 27 69.248 5.649 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 27 70.348 6.598 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 27 69.928 4.928 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 27 66.941 5.106 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 27 67.625 4.391 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 27 66.400 5.677 4.083 1.00 0.00 H new ATOM 469 N ALA A 28 69.373 8.941 2.835 1.00 0.00 N ATOM 470 CA ALA A 28 70.046 9.336 1.581 1.00 0.00 C ATOM 471 C ALA A 28 70.700 10.697 1.762 1.00 0.00 C ATOM 472 O ALA A 28 71.810 10.920 1.320 1.00 0.00 O ATOM 473 CB ALA A 28 68.939 9.373 0.541 1.00 0.00 C ATOM 0 H ALA A 28 68.359 9.053 2.845 1.00 0.00 H new ATOM 0 HA ALA A 28 70.839 8.650 1.283 1.00 0.00 H new ATOM 0 HB1 ALA A 28 69.356 9.660 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 28 68.482 8.387 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 28 68.183 10.100 0.840 1.00 0.00 H new ATOM 479 N MET A 29 70.053 11.598 2.444 1.00 0.00 N ATOM 480 CA MET A 29 70.698 12.914 2.673 1.00 0.00 C ATOM 481 C MET A 29 72.019 12.651 3.387 1.00 0.00 C ATOM 482 O MET A 29 72.974 13.393 3.266 1.00 0.00 O ATOM 483 CB MET A 29 69.734 13.710 3.558 1.00 0.00 C ATOM 484 CG MET A 29 69.632 13.051 4.935 1.00 0.00 C ATOM 485 SD MET A 29 68.904 14.221 6.111 1.00 0.00 S ATOM 486 CE MET A 29 70.408 15.168 6.460 1.00 0.00 C ATOM 0 H MET A 29 69.122 11.483 2.846 1.00 0.00 H new ATOM 0 HA MET A 29 70.901 13.469 1.757 1.00 0.00 H new ATOM 0 HB2 MET A 29 70.084 14.737 3.661 1.00 0.00 H new ATOM 0 HB3 MET A 29 68.750 13.754 3.092 1.00 0.00 H new ATOM 0 HG2 MET A 29 69.020 12.151 4.875 1.00 0.00 H new ATOM 0 HG3 MET A 29 70.620 12.743 5.277 1.00 0.00 H new ATOM 0 HE1 MET A 29 70.769 14.923 7.459 1.00 0.00 H new ATOM 0 HE2 MET A 29 71.174 14.918 5.726 1.00 0.00 H new ATOM 0 HE3 MET A 29 70.187 16.234 6.406 1.00 0.00 H new ATOM 496 N LYS A 30 72.075 11.563 4.111 1.00 0.00 N ATOM 497 CA LYS A 30 73.328 11.189 4.820 1.00 0.00 C ATOM 498 C LYS A 30 74.198 10.347 3.886 1.00 0.00 C ATOM 499 O LYS A 30 75.390 10.214 4.076 1.00 0.00 O ATOM 500 CB LYS A 30 72.878 10.353 6.017 1.00 0.00 C ATOM 501 CG LYS A 30 72.255 11.261 7.079 1.00 0.00 C ATOM 502 CD LYS A 30 71.303 10.442 7.952 1.00 0.00 C ATOM 503 CE LYS A 30 72.079 9.836 9.123 1.00 0.00 C ATOM 504 NZ LYS A 30 71.557 10.533 10.332 1.00 0.00 N ATOM 0 H LYS A 30 71.298 10.915 4.240 1.00 0.00 H new ATOM 0 HA LYS A 30 73.910 12.056 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 30 72.155 9.603 5.697 1.00 0.00 H new ATOM 0 HB3 LYS A 30 73.728 9.816 6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 30 73.036 11.709 7.694 1.00 0.00 H new ATOM 0 HG3 LYS A 30 71.716 12.080 6.602 1.00 0.00 H new ATOM 0 HD2 LYS A 30 70.498 11.076 8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 30 70.840 9.652 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 30 71.919 8.760 9.188 1.00 0.00 H new ATOM 0 HE3 LYS A 30 73.152 9.993 9.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 72.042 10.171 11.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 71.729 11.555 10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 70.535 10.360 10.418 1.00 0.00 H new ATOM 518 N TYR A 31 73.595 9.770 2.878 1.00 0.00 N ATOM 519 CA TYR A 31 74.366 8.923 1.921 1.00 0.00 C ATOM 520 C TYR A 31 74.450 9.605 0.561 1.00 0.00 C ATOM 521 O TYR A 31 74.812 9.006 -0.430 1.00 0.00 O ATOM 522 CB TYR A 31 73.577 7.623 1.813 1.00 0.00 C ATOM 523 CG TYR A 31 74.218 6.577 2.689 1.00 0.00 C ATOM 524 CD1 TYR A 31 74.865 6.962 3.869 1.00 0.00 C ATOM 525 CD2 TYR A 31 74.165 5.226 2.329 1.00 0.00 C ATOM 526 CE1 TYR A 31 75.461 5.997 4.687 1.00 0.00 C ATOM 527 CE2 TYR A 31 74.760 4.259 3.147 1.00 0.00 C ATOM 528 CZ TYR A 31 75.408 4.645 4.327 1.00 0.00 C ATOM 529 OH TYR A 31 75.996 3.693 5.135 1.00 0.00 O ATOM 0 H TYR A 31 72.598 9.850 2.677 1.00 0.00 H new ATOM 0 HA TYR A 31 75.389 8.753 2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 31 72.543 7.785 2.118 1.00 0.00 H new ATOM 0 HB3 TYR A 31 73.554 7.283 0.778 1.00 0.00 H new ATOM 0 HD1 TYR A 31 74.904 8.005 4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 31 73.665 4.929 1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 31 75.962 6.295 5.596 1.00 0.00 H new ATOM 0 HE2 TYR A 31 74.720 3.216 2.869 1.00 0.00 H new ATOM 0 HH TYR A 31 75.867 2.805 4.741 1.00 0.00 H new ATOM 539 N HIS A 32 74.122 10.853 0.527 1.00 0.00 N ATOM 540 CA HIS A 32 74.176 11.634 -0.732 1.00 0.00 C ATOM 541 C HIS A 32 75.600 11.585 -1.313 1.00 0.00 C ATOM 542 O HIS A 32 76.272 10.592 -1.137 1.00 0.00 O ATOM 543 CB HIS A 32 73.721 12.999 -0.242 1.00 0.00 C ATOM 544 CG HIS A 32 74.760 13.547 0.698 1.00 0.00 C ATOM 545 ND1 HIS A 32 75.024 14.900 0.807 1.00 0.00 N ATOM 546 CD2 HIS A 32 75.605 12.926 1.588 1.00 0.00 C ATOM 547 CE1 HIS A 32 75.991 15.053 1.729 1.00 0.00 C ATOM 548 NE2 HIS A 32 76.382 13.881 2.237 1.00 0.00 N ATOM 0 H HIS A 32 73.809 11.383 1.340 1.00 0.00 H new ATOM 0 HA HIS A 32 73.561 11.280 -1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 32 73.581 13.675 -1.085 1.00 0.00 H new ATOM 0 HB3 HIS A 32 72.759 12.917 0.264 1.00 0.00 H new ATOM 0 HD2 HIS A 32 75.658 11.861 1.757 1.00 0.00 H new ATOM 0 HE1 HIS A 32 76.402 16.008 2.023 1.00 0.00 H new ATOM 0 HE2 HIS A 32 77.096 13.721 2.947 1.00 0.00 H new ATOM 556 N PRO A 33 76.043 12.603 -2.012 1.00 0.00 N ATOM 557 CA PRO A 33 77.401 12.530 -2.601 1.00 0.00 C ATOM 558 C PRO A 33 78.480 12.544 -1.516 1.00 0.00 C ATOM 559 O PRO A 33 79.437 13.292 -1.577 1.00 0.00 O ATOM 560 CB PRO A 33 77.472 13.743 -3.519 1.00 0.00 C ATOM 561 CG PRO A 33 76.456 14.692 -2.982 1.00 0.00 C ATOM 562 CD PRO A 33 75.389 13.879 -2.316 1.00 0.00 C ATOM 0 HA PRO A 33 77.579 11.604 -3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 33 78.468 14.186 -3.512 1.00 0.00 H new ATOM 0 HB3 PRO A 33 77.251 13.471 -4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 33 76.913 15.381 -2.272 1.00 0.00 H new ATOM 0 HG3 PRO A 33 76.033 15.296 -3.785 1.00 0.00 H new ATOM 0 HD2 PRO A 33 75.025 14.365 -1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.529 13.739 -2.970 1.00 0.00 H new ATOM 570 N ASP A 34 78.345 11.679 -0.548 1.00 0.00 N ATOM 571 CA ASP A 34 79.363 11.570 0.529 1.00 0.00 C ATOM 572 C ASP A 34 80.152 10.287 0.268 1.00 0.00 C ATOM 573 O ASP A 34 81.361 10.238 0.378 1.00 0.00 O ATOM 574 CB ASP A 34 78.549 11.501 1.842 1.00 0.00 C ATOM 575 CG ASP A 34 78.807 10.184 2.590 1.00 0.00 C ATOM 576 OD1 ASP A 34 79.900 10.023 3.108 1.00 0.00 O ATOM 577 OD2 ASP A 34 77.907 9.362 2.628 1.00 0.00 O ATOM 0 H ASP A 34 77.559 11.035 -0.459 1.00 0.00 H new ATOM 0 HA ASP A 34 80.072 12.397 0.576 1.00 0.00 H new ATOM 0 HB2 ASP A 34 78.814 12.343 2.481 1.00 0.00 H new ATOM 0 HB3 ASP A 34 77.486 11.593 1.619 1.00 0.00 H new ATOM 582 N ARG A 35 79.447 9.253 -0.100 1.00 0.00 N ATOM 583 CA ARG A 35 80.096 7.957 -0.402 1.00 0.00 C ATOM 584 C ARG A 35 79.360 7.278 -1.566 1.00 0.00 C ATOM 585 O ARG A 35 79.946 6.539 -2.331 1.00 0.00 O ATOM 586 CB ARG A 35 79.947 7.143 0.881 1.00 0.00 C ATOM 587 CG ARG A 35 78.465 7.046 1.234 1.00 0.00 C ATOM 588 CD ARG A 35 77.833 5.931 0.411 1.00 0.00 C ATOM 589 NE ARG A 35 77.497 4.867 1.399 1.00 0.00 N ATOM 590 CZ ARG A 35 78.425 4.046 1.817 1.00 0.00 C ATOM 591 NH1 ARG A 35 79.445 4.499 2.495 1.00 0.00 N ATOM 592 NH2 ARG A 35 78.335 2.771 1.552 1.00 0.00 N ATOM 0 H ARG A 35 78.432 9.257 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 35 81.140 8.060 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 35 80.369 6.147 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 35 80.498 7.616 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 35 78.344 6.844 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 35 77.966 7.994 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 35 76.942 6.281 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 35 78.522 5.561 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 35 76.543 4.779 1.749 1.00 0.00 H new ATOM 0 HH11 ARG A 35 79.519 5.495 2.700 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.167 3.856 2.820 1.00 0.00 H new ATOM 0 HH21 ARG A 35 77.541 2.416 1.019 1.00 0.00 H new ATOM 0 HH22 ARG A 35 79.059 2.130 1.878 1.00 0.00 H new ATOM 606 N ASN A 36 78.073 7.520 -1.708 1.00 0.00 N ATOM 607 CA ASN A 36 77.316 6.883 -2.821 1.00 0.00 C ATOM 608 C ASN A 36 78.111 6.979 -4.118 1.00 0.00 C ATOM 609 O ASN A 36 77.957 6.173 -5.014 1.00 0.00 O ATOM 610 CB ASN A 36 76.028 7.693 -2.934 1.00 0.00 C ATOM 611 CG ASN A 36 74.834 6.808 -2.568 1.00 0.00 C ATOM 612 OD1 ASN A 36 74.083 6.398 -3.430 1.00 0.00 O ATOM 613 ND2 ASN A 36 74.627 6.493 -1.318 1.00 0.00 N ATOM 0 H ASN A 36 77.524 8.129 -1.101 1.00 0.00 H new ATOM 0 HA ASN A 36 77.124 5.826 -2.637 1.00 0.00 H new ATOM 0 HB2 ASN A 36 76.070 8.557 -2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 36 75.914 8.075 -3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 36 73.835 5.903 -1.065 1.00 0.00 H new ATOM 0 HD22 ASN A 36 75.258 6.837 -0.594 1.00 0.00 H new ATOM 620 N GLN A 37 78.962 7.958 -4.227 1.00 0.00 N ATOM 621 CA GLN A 37 79.762 8.097 -5.469 1.00 0.00 C ATOM 622 C GLN A 37 80.811 6.983 -5.541 1.00 0.00 C ATOM 623 O GLN A 37 81.553 6.877 -6.497 1.00 0.00 O ATOM 624 CB GLN A 37 80.431 9.470 -5.368 1.00 0.00 C ATOM 625 CG GLN A 37 79.408 10.502 -4.887 1.00 0.00 C ATOM 626 CD GLN A 37 79.514 11.767 -5.740 1.00 0.00 C ATOM 627 OE1 GLN A 37 78.594 12.110 -6.454 1.00 0.00 O ATOM 628 NE2 GLN A 37 80.606 12.481 -5.695 1.00 0.00 N ATOM 0 H GLN A 37 79.137 8.664 -3.512 1.00 0.00 H new ATOM 0 HA GLN A 37 79.150 8.017 -6.368 1.00 0.00 H new ATOM 0 HB2 GLN A 37 81.272 9.426 -4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 37 80.831 9.764 -6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 37 78.401 10.089 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN A 37 79.585 10.742 -3.839 1.00 0.00 H new ATOM 0 HE21 GLN A 37 81.379 12.193 -5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 37 80.686 13.327 -6.260 1.00 0.00 H new ATOM 637 N GLY A 38 80.881 6.147 -4.536 1.00 0.00 N ATOM 638 CA GLY A 38 81.884 5.045 -4.557 1.00 0.00 C ATOM 639 C GLY A 38 81.202 3.721 -4.206 1.00 0.00 C ATOM 640 O GLY A 38 81.803 2.836 -3.630 1.00 0.00 O ATOM 0 H GLY A 38 80.289 6.181 -3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 38 82.344 4.978 -5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 38 82.683 5.254 -3.845 1.00 0.00 H new ATOM 644 N ASP A 39 79.948 3.577 -4.545 1.00 0.00 N ATOM 645 CA ASP A 39 79.234 2.308 -4.225 1.00 0.00 C ATOM 646 C ASP A 39 78.794 1.602 -5.511 1.00 0.00 C ATOM 647 O ASP A 39 77.697 1.793 -5.998 1.00 0.00 O ATOM 648 CB ASP A 39 78.024 2.734 -3.395 1.00 0.00 C ATOM 649 CG ASP A 39 78.444 2.876 -1.931 1.00 0.00 C ATOM 650 OD1 ASP A 39 79.027 3.895 -1.599 1.00 0.00 O ATOM 651 OD2 ASP A 39 78.178 1.963 -1.168 1.00 0.00 O ATOM 0 H ASP A 39 79.390 4.281 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 39 79.867 1.603 -3.686 1.00 0.00 H new ATOM 0 HB2 ASP A 39 77.628 3.680 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 39 77.227 1.997 -3.487 1.00 0.00 H new ATOM 656 N LYS A 40 79.650 0.781 -6.056 1.00 0.00 N ATOM 657 CA LYS A 40 79.303 0.044 -7.308 1.00 0.00 C ATOM 658 C LYS A 40 78.625 -1.280 -6.968 1.00 0.00 C ATOM 659 O LYS A 40 78.760 -2.262 -7.670 1.00 0.00 O ATOM 660 CB LYS A 40 80.641 -0.205 -7.990 1.00 0.00 C ATOM 661 CG LYS A 40 80.802 0.751 -9.174 1.00 0.00 C ATOM 662 CD LYS A 40 79.739 0.440 -10.228 1.00 0.00 C ATOM 663 CE LYS A 40 79.066 1.741 -10.674 1.00 0.00 C ATOM 664 NZ LYS A 40 77.704 1.334 -11.123 1.00 0.00 N ATOM 0 H LYS A 40 80.581 0.587 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 40 78.613 0.600 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 40 81.455 -0.060 -7.280 1.00 0.00 H new ATOM 0 HB3 LYS A 40 80.698 -1.238 -8.334 1.00 0.00 H new ATOM 0 HG2 LYS A 40 80.705 1.783 -8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 40 81.798 0.649 -9.605 1.00 0.00 H new ATOM 0 HD2 LYS A 40 80.195 -0.058 -11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 40 78.996 -0.245 -9.819 1.00 0.00 H new ATOM 0 HE2 LYS A 40 79.014 2.459 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 40 79.622 2.217 -11.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 77.179 2.173 -11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 77.785 0.655 -11.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 77.196 0.890 -10.332 1.00 0.00 H new ATOM 678 N GLU A 41 77.915 -1.312 -5.885 1.00 0.00 N ATOM 679 CA GLU A 41 77.231 -2.563 -5.459 1.00 0.00 C ATOM 680 C GLU A 41 76.195 -2.201 -4.406 1.00 0.00 C ATOM 681 O GLU A 41 75.060 -2.628 -4.457 1.00 0.00 O ATOM 682 CB GLU A 41 78.329 -3.456 -4.861 1.00 0.00 C ATOM 683 CG GLU A 41 79.508 -2.596 -4.390 1.00 0.00 C ATOM 684 CD GLU A 41 80.424 -3.425 -3.487 1.00 0.00 C ATOM 685 OE1 GLU A 41 80.035 -4.528 -3.135 1.00 0.00 O ATOM 686 OE2 GLU A 41 81.498 -2.945 -3.163 1.00 0.00 O ATOM 0 H GLU A 41 77.775 -0.515 -5.264 1.00 0.00 H new ATOM 0 HA GLU A 41 76.724 -3.075 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 41 77.928 -4.028 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 41 78.668 -4.176 -5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 41 80.067 -2.226 -5.250 1.00 0.00 H new ATOM 0 HG3 GLU A 41 79.141 -1.724 -3.849 1.00 0.00 H new ATOM 693 N ALA A 42 76.574 -1.375 -3.471 1.00 0.00 N ATOM 694 CA ALA A 42 75.606 -0.936 -2.438 1.00 0.00 C ATOM 695 C ALA A 42 74.638 0.045 -3.087 1.00 0.00 C ATOM 696 O ALA A 42 73.582 0.338 -2.563 1.00 0.00 O ATOM 697 CB ALA A 42 76.447 -0.246 -1.363 1.00 0.00 C ATOM 0 H ALA A 42 77.513 -0.987 -3.381 1.00 0.00 H new ATOM 0 HA ALA A 42 75.026 -1.753 -2.009 1.00 0.00 H new ATOM 0 HB1 ALA A 42 75.796 0.107 -0.563 1.00 0.00 H new ATOM 0 HB2 ALA A 42 77.170 -0.953 -0.957 1.00 0.00 H new ATOM 0 HB3 ALA A 42 76.974 0.601 -1.802 1.00 0.00 H new ATOM 703 N GLU A 43 74.991 0.548 -4.244 1.00 0.00 N ATOM 704 CA GLU A 43 74.080 1.502 -4.940 1.00 0.00 C ATOM 705 C GLU A 43 72.662 0.992 -4.885 1.00 0.00 C ATOM 706 O GLU A 43 71.740 1.687 -4.514 1.00 0.00 O ATOM 707 CB GLU A 43 74.496 1.486 -6.400 1.00 0.00 C ATOM 708 CG GLU A 43 73.518 2.346 -7.205 1.00 0.00 C ATOM 709 CD GLU A 43 74.298 3.347 -8.060 1.00 0.00 C ATOM 710 OE1 GLU A 43 75.369 3.751 -7.635 1.00 0.00 O ATOM 711 OE2 GLU A 43 73.813 3.691 -9.125 1.00 0.00 O ATOM 0 H GLU A 43 75.863 0.341 -4.731 1.00 0.00 H new ATOM 0 HA GLU A 43 74.135 2.489 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 43 75.511 1.869 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 43 74.500 0.464 -6.780 1.00 0.00 H new ATOM 0 HG2 GLU A 43 72.900 1.713 -7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 43 72.844 2.875 -6.531 1.00 0.00 H new ATOM 718 N ALA A 44 72.476 -0.215 -5.307 1.00 0.00 N ATOM 719 CA ALA A 44 71.116 -0.760 -5.338 1.00 0.00 C ATOM 720 C ALA A 44 70.416 -0.502 -4.010 1.00 0.00 C ATOM 721 O ALA A 44 69.351 0.058 -3.969 1.00 0.00 O ATOM 722 CB ALA A 44 71.271 -2.257 -5.607 1.00 0.00 C ATOM 0 H ALA A 44 73.210 -0.845 -5.631 1.00 0.00 H new ATOM 0 HA ALA A 44 70.504 -0.290 -6.108 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.287 -2.724 -5.642 1.00 0.00 H new ATOM 0 HB2 ALA A 44 71.777 -2.405 -6.561 1.00 0.00 H new ATOM 0 HB3 ALA A 44 71.860 -2.711 -4.810 1.00 0.00 H new ATOM 728 N LYS A 45 70.997 -0.888 -2.918 1.00 0.00 N ATOM 729 CA LYS A 45 70.307 -0.623 -1.626 1.00 0.00 C ATOM 730 C LYS A 45 69.954 0.862 -1.529 1.00 0.00 C ATOM 731 O LYS A 45 69.034 1.247 -0.835 1.00 0.00 O ATOM 732 CB LYS A 45 71.288 -1.010 -0.528 1.00 0.00 C ATOM 733 CG LYS A 45 70.710 -0.555 0.813 1.00 0.00 C ATOM 734 CD LYS A 45 71.741 -0.787 1.917 1.00 0.00 C ATOM 735 CE LYS A 45 71.451 0.144 3.094 1.00 0.00 C ATOM 736 NZ LYS A 45 72.618 -0.019 4.005 1.00 0.00 N ATOM 0 H LYS A 45 71.897 -1.364 -2.857 1.00 0.00 H new ATOM 0 HA LYS A 45 69.381 -1.192 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 45 71.450 -2.088 -0.526 1.00 0.00 H new ATOM 0 HB3 LYS A 45 72.257 -0.542 -0.702 1.00 0.00 H new ATOM 0 HG2 LYS A 45 70.443 0.501 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 45 69.796 -1.106 1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 45 71.709 -1.826 2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 45 72.745 -0.604 1.535 1.00 0.00 H new ATOM 0 HE2 LYS A 45 71.348 1.178 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 45 70.520 -0.126 3.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 72.494 0.589 4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 72.687 -1.012 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 73.489 0.252 3.505 1.00 0.00 H new ATOM 750 N PHE A 46 70.677 1.702 -2.224 1.00 0.00 N ATOM 751 CA PHE A 46 70.371 3.159 -2.171 1.00 0.00 C ATOM 752 C PHE A 46 69.141 3.459 -3.028 1.00 0.00 C ATOM 753 O PHE A 46 68.252 4.177 -2.618 1.00 0.00 O ATOM 754 CB PHE A 46 71.616 3.861 -2.718 1.00 0.00 C ATOM 755 CG PHE A 46 72.827 3.454 -1.905 1.00 0.00 C ATOM 756 CD1 PHE A 46 72.667 2.809 -0.670 1.00 0.00 C ATOM 757 CD2 PHE A 46 74.112 3.732 -2.385 1.00 0.00 C ATOM 758 CE1 PHE A 46 73.791 2.444 0.080 1.00 0.00 C ATOM 759 CE2 PHE A 46 75.235 3.366 -1.635 1.00 0.00 C ATOM 760 CZ PHE A 46 75.073 2.723 -0.402 1.00 0.00 C ATOM 0 H PHE A 46 71.461 1.442 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 46 70.144 3.501 -1.161 1.00 0.00 H new ATOM 0 HB2 PHE A 46 71.763 3.598 -3.765 1.00 0.00 H new ATOM 0 HB3 PHE A 46 71.484 4.942 -2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 46 71.676 2.594 -0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 46 74.237 4.230 -3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 46 73.668 1.947 1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 46 76.226 3.579 -2.007 1.00 0.00 H new ATOM 0 HZ PHE A 46 75.940 2.442 0.178 1.00 0.00 H new ATOM 770 N LYS A 47 69.051 2.894 -4.200 1.00 0.00 N ATOM 771 CA LYS A 47 67.832 3.148 -5.018 1.00 0.00 C ATOM 772 C LYS A 47 66.781 2.106 -4.643 1.00 0.00 C ATOM 773 O LYS A 47 65.592 2.337 -4.730 1.00 0.00 O ATOM 774 CB LYS A 47 68.240 3.064 -6.503 1.00 0.00 C ATOM 775 CG LYS A 47 69.088 1.816 -6.797 1.00 0.00 C ATOM 776 CD LYS A 47 68.231 0.557 -6.678 1.00 0.00 C ATOM 777 CE LYS A 47 68.267 -0.210 -8.004 1.00 0.00 C ATOM 778 NZ LYS A 47 69.373 -1.196 -7.853 1.00 0.00 N ATOM 0 H LYS A 47 69.750 2.281 -4.619 1.00 0.00 H new ATOM 0 HA LYS A 47 67.404 4.134 -4.835 1.00 0.00 H new ATOM 0 HB2 LYS A 47 67.345 3.049 -7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 47 68.802 3.957 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 47 69.512 1.883 -7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 47 69.924 1.763 -6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 47 68.602 -0.074 -5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 47 67.204 0.825 -6.428 1.00 0.00 H new ATOM 0 HE2 LYS A 47 67.317 -0.709 -8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 47 68.450 0.462 -8.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 69.300 -1.917 -8.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 70.287 -0.707 -7.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 69.305 -1.654 -6.922 1.00 0.00 H new ATOM 792 N GLU A 48 67.229 0.973 -4.179 1.00 0.00 N ATOM 793 CA GLU A 48 66.288 -0.087 -3.736 1.00 0.00 C ATOM 794 C GLU A 48 65.275 0.566 -2.820 1.00 0.00 C ATOM 795 O GLU A 48 64.099 0.268 -2.828 1.00 0.00 O ATOM 796 CB GLU A 48 67.155 -1.060 -2.940 1.00 0.00 C ATOM 797 CG GLU A 48 67.841 -2.037 -3.890 1.00 0.00 C ATOM 798 CD GLU A 48 66.847 -3.117 -4.319 1.00 0.00 C ATOM 799 OE1 GLU A 48 66.446 -3.897 -3.470 1.00 0.00 O ATOM 800 OE2 GLU A 48 66.502 -3.146 -5.488 1.00 0.00 O ATOM 0 H GLU A 48 68.217 0.736 -4.088 1.00 0.00 H new ATOM 0 HA GLU A 48 65.764 -0.587 -4.551 1.00 0.00 H new ATOM 0 HB2 GLU A 48 67.902 -0.511 -2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 48 66.541 -1.606 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 48 68.217 -1.506 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 48 68.701 -2.494 -3.400 1.00 0.00 H new ATOM 807 N ILE A 49 65.748 1.490 -2.047 1.00 0.00 N ATOM 808 CA ILE A 49 64.851 2.227 -1.131 1.00 0.00 C ATOM 809 C ILE A 49 63.791 2.914 -1.973 1.00 0.00 C ATOM 810 O ILE A 49 62.619 2.931 -1.653 1.00 0.00 O ATOM 811 CB ILE A 49 65.753 3.252 -0.467 1.00 0.00 C ATOM 812 CG1 ILE A 49 66.833 2.516 0.322 1.00 0.00 C ATOM 813 CG2 ILE A 49 64.928 4.137 0.462 1.00 0.00 C ATOM 814 CD1 ILE A 49 68.118 3.340 0.355 1.00 0.00 C ATOM 0 H ILE A 49 66.728 1.770 -2.010 1.00 0.00 H new ATOM 0 HA ILE A 49 64.349 1.599 -0.395 1.00 0.00 H new ATOM 0 HB ILE A 49 66.221 3.884 -1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 49 66.487 2.329 1.338 1.00 0.00 H new ATOM 0 HG13 ILE A 49 67.027 1.545 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 49 65.578 4.872 0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 49 64.159 4.652 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 49 64.456 3.521 1.228 1.00 0.00 H new ATOM 0 HD11 ILE A 49 68.880 2.804 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 49 68.471 3.505 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 49 67.922 4.301 0.831 1.00 0.00 H new ATOM 826 N LYS A 50 64.216 3.460 -3.077 1.00 0.00 N ATOM 827 CA LYS A 50 63.261 4.135 -3.999 1.00 0.00 C ATOM 828 C LYS A 50 62.362 3.079 -4.649 1.00 0.00 C ATOM 829 O LYS A 50 61.382 3.391 -5.295 1.00 0.00 O ATOM 830 CB LYS A 50 64.135 4.823 -5.051 1.00 0.00 C ATOM 831 CG LYS A 50 63.539 6.190 -5.400 1.00 0.00 C ATOM 832 CD LYS A 50 63.050 6.180 -6.851 1.00 0.00 C ATOM 833 CE LYS A 50 63.863 7.186 -7.673 1.00 0.00 C ATOM 834 NZ LYS A 50 62.910 7.709 -8.692 1.00 0.00 N ATOM 0 H LYS A 50 65.189 3.468 -3.382 1.00 0.00 H new ATOM 0 HA LYS A 50 62.615 4.851 -3.490 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.150 4.943 -4.673 1.00 0.00 H new ATOM 0 HB3 LYS A 50 64.200 4.204 -5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 50 62.712 6.420 -4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 50 64.288 6.970 -5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.154 5.181 -7.274 1.00 0.00 H new ATOM 0 HD3 LYS A 50 61.991 6.434 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 50 64.249 7.989 -7.045 1.00 0.00 H new ATOM 0 HE3 LYS A 50 64.722 6.708 -8.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 63.394 8.405 -9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.564 6.923 -9.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 62.106 8.164 -8.214 1.00 0.00 H new ATOM 848 N GLU A 51 62.678 1.826 -4.451 1.00 0.00 N ATOM 849 CA GLU A 51 61.839 0.736 -5.019 1.00 0.00 C ATOM 850 C GLU A 51 60.792 0.331 -3.984 1.00 0.00 C ATOM 851 O GLU A 51 59.641 0.125 -4.300 1.00 0.00 O ATOM 852 CB GLU A 51 62.808 -0.410 -5.270 1.00 0.00 C ATOM 853 CG GLU A 51 62.096 -1.536 -6.025 1.00 0.00 C ATOM 854 CD GLU A 51 62.073 -1.215 -7.519 1.00 0.00 C ATOM 855 OE1 GLU A 51 62.274 -0.061 -7.861 1.00 0.00 O ATOM 856 OE2 GLU A 51 61.856 -2.129 -8.299 1.00 0.00 O ATOM 0 H GLU A 51 63.488 1.511 -3.916 1.00 0.00 H new ATOM 0 HA GLU A 51 61.315 1.027 -5.929 1.00 0.00 H new ATOM 0 HB2 GLU A 51 63.662 -0.056 -5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 51 63.196 -0.784 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 51 62.608 -2.483 -5.854 1.00 0.00 H new ATOM 0 HG3 GLU A 51 61.078 -1.652 -5.652 1.00 0.00 H new ATOM 863 N ALA A 52 61.197 0.242 -2.745 1.00 0.00 N ATOM 864 CA ALA A 52 60.246 -0.116 -1.652 1.00 0.00 C ATOM 865 C ALA A 52 58.893 0.540 -1.926 1.00 0.00 C ATOM 866 O ALA A 52 57.848 0.004 -1.617 1.00 0.00 O ATOM 867 CB ALA A 52 60.905 0.470 -0.399 1.00 0.00 C ATOM 0 H ALA A 52 62.157 0.404 -2.440 1.00 0.00 H new ATOM 0 HA ALA A 52 60.061 -1.186 -1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 52 60.282 0.262 0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 52 61.887 0.018 -0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 52 61.015 1.548 -0.516 1.00 0.00 H new ATOM 873 N TYR A 53 58.913 1.689 -2.537 1.00 0.00 N ATOM 874 CA TYR A 53 57.640 2.387 -2.868 1.00 0.00 C ATOM 875 C TYR A 53 56.769 1.468 -3.703 1.00 0.00 C ATOM 876 O TYR A 53 55.582 1.353 -3.484 1.00 0.00 O ATOM 877 CB TYR A 53 58.058 3.612 -3.676 1.00 0.00 C ATOM 878 CG TYR A 53 58.851 4.516 -2.781 1.00 0.00 C ATOM 879 CD1 TYR A 53 60.223 4.323 -2.654 1.00 0.00 C ATOM 880 CD2 TYR A 53 58.215 5.530 -2.067 1.00 0.00 C ATOM 881 CE1 TYR A 53 60.971 5.137 -1.816 1.00 0.00 C ATOM 882 CE2 TYR A 53 58.961 6.354 -1.224 1.00 0.00 C ATOM 883 CZ TYR A 53 60.345 6.159 -1.098 1.00 0.00 C ATOM 884 OH TYR A 53 61.088 6.966 -0.266 1.00 0.00 O ATOM 0 H TYR A 53 59.761 2.178 -2.824 1.00 0.00 H new ATOM 0 HA TYR A 53 57.068 2.667 -1.983 1.00 0.00 H new ATOM 0 HB2 TYR A 53 58.654 3.313 -4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 53 57.180 4.132 -4.060 1.00 0.00 H new ATOM 0 HD1 TYR A 53 60.708 3.535 -3.211 1.00 0.00 H new ATOM 0 HD2 TYR A 53 57.150 5.677 -2.166 1.00 0.00 H new ATOM 0 HE1 TYR A 53 62.035 4.981 -1.719 1.00 0.00 H new ATOM 0 HE2 TYR A 53 58.474 7.142 -0.669 1.00 0.00 H new ATOM 0 HH TYR A 53 61.375 7.765 -0.756 1.00 0.00 H new ATOM 894 N GLU A 54 57.355 0.786 -4.649 1.00 0.00 N ATOM 895 CA GLU A 54 56.553 -0.149 -5.476 1.00 0.00 C ATOM 896 C GLU A 54 55.653 -0.950 -4.560 1.00 0.00 C ATOM 897 O GLU A 54 54.619 -1.442 -4.964 1.00 0.00 O ATOM 898 CB GLU A 54 57.548 -1.080 -6.166 1.00 0.00 C ATOM 899 CG GLU A 54 58.670 -0.259 -6.777 1.00 0.00 C ATOM 900 CD GLU A 54 58.779 -0.571 -8.270 1.00 0.00 C ATOM 901 OE1 GLU A 54 57.905 -0.148 -9.009 1.00 0.00 O ATOM 902 OE2 GLU A 54 59.732 -1.230 -8.650 1.00 0.00 O ATOM 0 H GLU A 54 58.347 0.837 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 54 55.938 0.375 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 54 57.954 -1.792 -5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 54 57.044 -1.659 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 54 58.478 0.804 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 54 59.613 -0.485 -6.278 1.00 0.00 H new ATOM 909 N VAL A 55 56.032 -1.094 -3.315 1.00 0.00 N ATOM 910 CA VAL A 55 55.164 -1.872 -2.420 1.00 0.00 C ATOM 911 C VAL A 55 54.514 -0.992 -1.334 1.00 0.00 C ATOM 912 O VAL A 55 53.320 -0.774 -1.339 1.00 0.00 O ATOM 913 CB VAL A 55 56.016 -3.017 -1.803 1.00 0.00 C ATOM 914 CG1 VAL A 55 57.498 -2.713 -1.843 1.00 0.00 C ATOM 915 CG2 VAL A 55 55.612 -3.257 -0.346 1.00 0.00 C ATOM 0 H VAL A 55 56.883 -0.714 -2.900 1.00 0.00 H new ATOM 0 HA VAL A 55 54.335 -2.293 -2.989 1.00 0.00 H new ATOM 0 HB VAL A 55 55.825 -3.906 -2.405 1.00 0.00 H new ATOM 0 HG11 VAL A 55 58.051 -3.542 -1.401 1.00 0.00 H new ATOM 0 HG12 VAL A 55 57.814 -2.576 -2.877 1.00 0.00 H new ATOM 0 HG13 VAL A 55 57.698 -1.802 -1.279 1.00 0.00 H new ATOM 0 HG21 VAL A 55 56.217 -4.061 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 55 55.771 -2.346 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 55 54.559 -3.535 -0.301 1.00 0.00 H new ATOM 925 N LEU A 56 55.276 -0.523 -0.386 1.00 0.00 N ATOM 926 CA LEU A 56 54.677 0.297 0.720 1.00 0.00 C ATOM 927 C LEU A 56 53.749 1.403 0.201 1.00 0.00 C ATOM 928 O LEU A 56 52.886 1.866 0.919 1.00 0.00 O ATOM 929 CB LEU A 56 55.859 0.900 1.468 1.00 0.00 C ATOM 930 CG LEU A 56 56.844 1.490 0.468 1.00 0.00 C ATOM 931 CD1 LEU A 56 56.840 3.011 0.591 1.00 0.00 C ATOM 932 CD2 LEU A 56 58.239 0.945 0.767 1.00 0.00 C ATOM 0 H LEU A 56 56.284 -0.668 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 56 54.053 -0.328 1.359 1.00 0.00 H new ATOM 0 HB2 LEU A 56 55.513 1.673 2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 56 56.350 0.136 2.071 1.00 0.00 H new ATOM 0 HG LEU A 56 56.557 1.215 -0.547 1.00 0.00 H new ATOM 0 HD11 LEU A 56 57.545 3.436 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 56 55.839 3.390 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 56 57.133 3.295 1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 56 58.952 1.362 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 56 58.530 1.225 1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 56 58.232 -0.141 0.679 1.00 0.00 H new ATOM 944 N THR A 57 53.894 1.835 -1.020 1.00 0.00 N ATOM 945 CA THR A 57 52.977 2.906 -1.510 1.00 0.00 C ATOM 946 C THR A 57 51.727 2.267 -2.127 1.00 0.00 C ATOM 947 O THR A 57 50.988 2.896 -2.859 1.00 0.00 O ATOM 948 CB THR A 57 53.770 3.706 -2.550 1.00 0.00 C ATOM 949 OG1 THR A 57 53.943 2.928 -3.726 1.00 0.00 O ATOM 950 CG2 THR A 57 55.142 4.092 -1.978 1.00 0.00 C ATOM 0 H THR A 57 54.590 1.504 -1.688 1.00 0.00 H new ATOM 0 HA THR A 57 52.639 3.560 -0.706 1.00 0.00 H new ATOM 0 HB THR A 57 53.218 4.613 -2.797 1.00 0.00 H new ATOM 0 HG1 THR A 57 54.482 2.136 -3.518 1.00 0.00 H new ATOM 0 HG21 THR A 57 55.700 4.660 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 57 55.005 4.701 -1.084 1.00 0.00 H new ATOM 0 HG23 THR A 57 55.696 3.189 -1.721 1.00 0.00 H new ATOM 958 N ASP A 58 51.480 1.020 -1.812 1.00 0.00 N ATOM 959 CA ASP A 58 50.276 0.320 -2.342 1.00 0.00 C ATOM 960 C ASP A 58 49.838 -0.738 -1.352 1.00 0.00 C ATOM 961 O ASP A 58 50.606 -1.577 -0.929 1.00 0.00 O ATOM 962 CB ASP A 58 50.702 -0.311 -3.665 1.00 0.00 C ATOM 963 CG ASP A 58 49.854 0.261 -4.803 1.00 0.00 C ATOM 964 OD1 ASP A 58 48.670 -0.034 -4.841 1.00 0.00 O ATOM 965 OD2 ASP A 58 50.402 0.984 -5.618 1.00 0.00 O ATOM 0 H ASP A 58 52.070 0.453 -1.203 1.00 0.00 H new ATOM 0 HA ASP A 58 49.435 0.997 -2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 58 51.758 -0.114 -3.850 1.00 0.00 H new ATOM 0 HB3 ASP A 58 50.583 -1.394 -3.618 1.00 0.00 H new ATOM 970 N SER A 59 48.608 -0.674 -0.959 1.00 0.00 N ATOM 971 CA SER A 59 48.096 -1.638 0.038 1.00 0.00 C ATOM 972 C SER A 59 48.347 -3.089 -0.396 1.00 0.00 C ATOM 973 O SER A 59 48.675 -3.936 0.411 1.00 0.00 O ATOM 974 CB SER A 59 46.600 -1.348 0.138 1.00 0.00 C ATOM 975 OG SER A 59 46.328 -0.720 1.384 1.00 0.00 O ATOM 0 H SER A 59 47.928 0.011 -1.288 1.00 0.00 H new ATOM 0 HA SER A 59 48.601 -1.527 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 59 46.287 -0.704 -0.684 1.00 0.00 H new ATOM 0 HB3 SER A 59 46.031 -2.274 0.052 1.00 0.00 H new ATOM 0 HG SER A 59 45.369 -0.530 1.452 1.00 0.00 H new ATOM 981 N GLN A 60 48.187 -3.386 -1.655 1.00 0.00 N ATOM 982 CA GLN A 60 48.409 -4.787 -2.128 1.00 0.00 C ATOM 983 C GLN A 60 49.816 -5.271 -1.760 1.00 0.00 C ATOM 984 O GLN A 60 50.016 -6.407 -1.375 1.00 0.00 O ATOM 985 CB GLN A 60 48.255 -4.712 -3.648 1.00 0.00 C ATOM 986 CG GLN A 60 47.562 -5.975 -4.158 1.00 0.00 C ATOM 987 CD GLN A 60 48.567 -6.838 -4.917 1.00 0.00 C ATOM 988 OE1 GLN A 60 48.660 -8.028 -4.690 1.00 0.00 O ATOM 989 NE2 GLN A 60 49.328 -6.283 -5.815 1.00 0.00 N ATOM 0 H GLN A 60 47.912 -2.722 -2.379 1.00 0.00 H new ATOM 0 HA GLN A 60 47.710 -5.487 -1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 60 47.674 -3.831 -3.921 1.00 0.00 H new ATOM 0 HB3 GLN A 60 49.233 -4.607 -4.118 1.00 0.00 H new ATOM 0 HG2 GLN A 60 47.144 -6.536 -3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 60 46.731 -5.708 -4.810 1.00 0.00 H new ATOM 0 HE21 GLN A 60 49.248 -5.284 -6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 60 50.004 -6.847 -6.330 1.00 0.00 H new ATOM 998 N LYS A 61 50.791 -4.417 -1.891 1.00 0.00 N ATOM 999 CA LYS A 61 52.198 -4.806 -1.570 1.00 0.00 C ATOM 1000 C LYS A 61 52.446 -4.815 -0.066 1.00 0.00 C ATOM 1001 O LYS A 61 52.831 -5.819 0.501 1.00 0.00 O ATOM 1002 CB LYS A 61 53.042 -3.745 -2.241 1.00 0.00 C ATOM 1003 CG LYS A 61 52.524 -3.472 -3.659 1.00 0.00 C ATOM 1004 CD LYS A 61 52.164 -4.792 -4.356 1.00 0.00 C ATOM 1005 CE LYS A 61 53.431 -5.626 -4.564 1.00 0.00 C ATOM 1006 NZ LYS A 61 53.835 -5.363 -5.974 1.00 0.00 N ATOM 0 H LYS A 61 50.675 -3.455 -2.210 1.00 0.00 H new ATOM 0 HA LYS A 61 52.431 -5.813 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 61 53.018 -2.827 -1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 61 54.082 -4.070 -2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 61 51.648 -2.825 -3.616 1.00 0.00 H new ATOM 0 HG3 LYS A 61 53.283 -2.943 -4.236 1.00 0.00 H new ATOM 0 HD2 LYS A 61 51.445 -5.348 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 61 51.688 -4.590 -5.316 1.00 0.00 H new ATOM 0 HE2 LYS A 61 54.216 -5.333 -3.867 1.00 0.00 H new ATOM 0 HE3 LYS A 61 53.238 -6.686 -4.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 54.698 -5.900 -6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 53.071 -5.658 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 54.019 -4.347 -6.099 1.00 0.00 H new ATOM 1020 N ARG A 62 52.244 -3.712 0.592 1.00 0.00 N ATOM 1021 CA ARG A 62 52.485 -3.686 2.059 1.00 0.00 C ATOM 1022 C ARG A 62 51.785 -4.867 2.714 1.00 0.00 C ATOM 1023 O ARG A 62 52.192 -5.348 3.749 1.00 0.00 O ATOM 1024 CB ARG A 62 51.895 -2.366 2.542 1.00 0.00 C ATOM 1025 CG ARG A 62 50.450 -2.269 2.064 1.00 0.00 C ATOM 1026 CD ARG A 62 49.607 -1.544 3.115 1.00 0.00 C ATOM 1027 NE ARG A 62 48.538 -2.513 3.484 1.00 0.00 N ATOM 1028 CZ ARG A 62 48.475 -2.982 4.701 1.00 0.00 C ATOM 1029 NH1 ARG A 62 49.444 -3.723 5.165 1.00 0.00 N ATOM 1030 NH2 ARG A 62 47.444 -2.708 5.453 1.00 0.00 N ATOM 0 H ARG A 62 51.925 -2.834 0.183 1.00 0.00 H new ATOM 0 HA ARG A 62 53.543 -3.762 2.310 1.00 0.00 H new ATOM 0 HB2 ARG A 62 51.937 -2.309 3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 62 52.477 -1.529 2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 62 50.406 -1.734 1.116 1.00 0.00 H new ATOM 0 HG3 ARG A 62 50.048 -3.266 1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 62 50.208 -1.269 3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 62 49.184 -0.622 2.715 1.00 0.00 H new ATOM 0 HE ARG A 62 47.856 -2.810 2.787 1.00 0.00 H new ATOM 0 HH11 ARG A 62 50.250 -3.935 4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 62 49.395 -4.090 6.116 1.00 0.00 H new ATOM 0 HH21 ARG A 62 46.688 -2.128 5.090 1.00 0.00 H new ATOM 0 HH22 ARG A 62 47.394 -3.074 6.404 1.00 0.00 H new ATOM 1044 N ALA A 63 50.752 -5.358 2.102 1.00 0.00 N ATOM 1045 CA ALA A 63 50.048 -6.533 2.673 1.00 0.00 C ATOM 1046 C ALA A 63 50.713 -7.793 2.130 1.00 0.00 C ATOM 1047 O ALA A 63 50.662 -8.853 2.719 1.00 0.00 O ATOM 1048 CB ALA A 63 48.603 -6.417 2.187 1.00 0.00 C ATOM 0 H ALA A 63 50.363 -4.997 1.231 1.00 0.00 H new ATOM 0 HA ALA A 63 50.084 -6.575 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 63 48.021 -7.255 2.572 1.00 0.00 H new ATOM 0 HB2 ALA A 63 48.173 -5.482 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 63 48.583 -6.432 1.097 1.00 0.00 H new ATOM 1054 N ALA A 64 51.350 -7.665 0.999 1.00 0.00 N ATOM 1055 CA ALA A 64 52.050 -8.826 0.389 1.00 0.00 C ATOM 1056 C ALA A 64 53.495 -8.882 0.883 1.00 0.00 C ATOM 1057 O ALA A 64 53.940 -9.881 1.411 1.00 0.00 O ATOM 1058 CB ALA A 64 51.998 -8.578 -1.118 1.00 0.00 C ATOM 0 H ALA A 64 51.415 -6.797 0.468 1.00 0.00 H new ATOM 0 HA ALA A 64 51.588 -9.777 0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 64 52.496 -9.396 -1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 64 50.959 -8.522 -1.442 1.00 0.00 H new ATOM 0 HB3 ALA A 64 52.502 -7.640 -1.350 1.00 0.00 H new ATOM 1064 N TYR A 65 54.240 -7.819 0.710 1.00 0.00 N ATOM 1065 CA TYR A 65 55.653 -7.837 1.169 1.00 0.00 C ATOM 1066 C TYR A 65 55.721 -8.002 2.690 1.00 0.00 C ATOM 1067 O TYR A 65 56.670 -8.549 3.217 1.00 0.00 O ATOM 1068 CB TYR A 65 56.213 -6.489 0.729 1.00 0.00 C ATOM 1069 CG TYR A 65 56.750 -6.617 -0.679 1.00 0.00 C ATOM 1070 CD1 TYR A 65 56.127 -7.481 -1.588 1.00 0.00 C ATOM 1071 CD2 TYR A 65 57.871 -5.879 -1.073 1.00 0.00 C ATOM 1072 CE1 TYR A 65 56.624 -7.608 -2.891 1.00 0.00 C ATOM 1073 CE2 TYR A 65 58.370 -6.004 -2.377 1.00 0.00 C ATOM 1074 CZ TYR A 65 57.746 -6.869 -3.286 1.00 0.00 C ATOM 1075 OH TYR A 65 58.238 -6.994 -4.570 1.00 0.00 O ATOM 0 H TYR A 65 53.931 -6.950 0.275 1.00 0.00 H new ATOM 0 HA TYR A 65 56.221 -8.668 0.752 1.00 0.00 H new ATOM 0 HB2 TYR A 65 55.435 -5.727 0.768 1.00 0.00 H new ATOM 0 HB3 TYR A 65 57.005 -6.171 1.407 1.00 0.00 H new ATOM 0 HD1 TYR A 65 55.261 -8.051 -1.284 1.00 0.00 H new ATOM 0 HD2 TYR A 65 58.352 -5.213 -0.372 1.00 0.00 H new ATOM 0 HE1 TYR A 65 56.142 -8.275 -3.591 1.00 0.00 H new ATOM 0 HE2 TYR A 65 59.235 -5.434 -2.681 1.00 0.00 H new ATOM 0 HH TYR A 65 59.019 -6.412 -4.679 1.00 0.00 H new