USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=16 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 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -66:sc= 0.51 USER MOD Single : A 3 MET CE :methyl 157:sc= -0.301 (180deg=-1.64!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 54:sc= 0.216 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 27:sc= -1.99 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -179:sc= 0 (180deg=-0.00384) USER MOD Single : A 21 ASN : amide:sc= -0.441 X(o=-0.44,f=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 26 GLN : amide:sc= -0.0379 K(o=-0.038,f=-2.9!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 68:sc= -2.93! USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.583 K(o=-0.58,f=0.0083!) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0.294 (180deg=0.2) USER MOD Single : A 50 ASN : amide:sc= -1.84 K(o=-1.8,f=-2.4) USER MOD Single : A 52 GLN : amide:sc= -0.109 K(o=-0.11,f=-2!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 150:sc= -1.18 USER MOD Single : A 59 ASN : amide:sc= -2.64 K(o=-2.6,f=-1.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.283 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 49.844 24.695 11.631 1.00 0.00 N ATOM 2 CA GLY A 1 50.370 24.080 10.379 1.00 0.00 C ATOM 3 C GLY A 1 51.112 22.786 10.719 1.00 0.00 C ATOM 4 O GLY A 1 50.585 21.701 10.565 1.00 0.00 O ATOM 0 H1 GLY A 1 49.340 25.575 11.400 1.00 0.00 H new ATOM 0 H2 GLY A 1 49.190 24.033 12.095 1.00 0.00 H new ATOM 0 H3 GLY A 1 50.635 24.907 12.272 1.00 0.00 H new ATOM 0 HA2 GLY A 1 49.550 23.872 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 1 51.041 24.775 9.874 1.00 0.00 H new ATOM 10 N SER A 2 52.337 22.896 11.176 1.00 0.00 N ATOM 11 CA SER A 2 53.140 21.680 11.534 1.00 0.00 C ATOM 12 C SER A 2 53.117 20.646 10.397 1.00 0.00 C ATOM 13 O SER A 2 52.829 19.484 10.611 1.00 0.00 O ATOM 14 CB SER A 2 52.481 21.121 12.801 1.00 0.00 C ATOM 15 OG SER A 2 51.368 20.308 12.450 1.00 0.00 O ATOM 0 H SER A 2 52.820 23.783 11.318 1.00 0.00 H new ATOM 0 HA SER A 2 54.190 21.923 11.697 1.00 0.00 H new ATOM 0 HB2 SER A 2 53.204 20.537 13.370 1.00 0.00 H new ATOM 0 HB3 SER A 2 52.156 21.939 13.444 1.00 0.00 H new ATOM 0 HG SER A 2 50.674 20.864 12.039 1.00 0.00 H new ATOM 21 N MET A 3 53.421 21.068 9.196 1.00 0.00 N ATOM 22 CA MET A 3 53.420 20.119 8.042 1.00 0.00 C ATOM 23 C MET A 3 54.718 19.308 8.023 1.00 0.00 C ATOM 24 O MET A 3 55.799 19.850 8.159 1.00 0.00 O ATOM 25 CB MET A 3 53.325 21.004 6.798 1.00 0.00 C ATOM 26 CG MET A 3 51.861 21.127 6.369 1.00 0.00 C ATOM 27 SD MET A 3 51.717 22.374 5.064 1.00 0.00 S ATOM 28 CE MET A 3 52.870 21.613 3.896 1.00 0.00 C ATOM 0 H MET A 3 53.670 22.030 8.965 1.00 0.00 H new ATOM 0 HA MET A 3 52.599 19.405 8.098 1.00 0.00 H new ATOM 0 HB2 MET A 3 53.737 21.991 7.008 1.00 0.00 H new ATOM 0 HB3 MET A 3 53.917 20.577 5.989 1.00 0.00 H new ATOM 0 HG2 MET A 3 51.494 20.165 6.010 1.00 0.00 H new ATOM 0 HG3 MET A 3 51.243 21.405 7.223 1.00 0.00 H new ATOM 0 HE1 MET A 3 52.648 21.960 2.887 1.00 0.00 H new ATOM 0 HE2 MET A 3 53.891 21.891 4.159 1.00 0.00 H new ATOM 0 HE3 MET A 3 52.767 20.529 3.938 1.00 0.00 H new ATOM 38 N SER A 4 54.616 18.014 7.857 1.00 0.00 N ATOM 39 CA SER A 4 55.840 17.157 7.830 1.00 0.00 C ATOM 40 C SER A 4 55.956 16.445 6.480 1.00 0.00 C ATOM 41 O SER A 4 54.964 16.114 5.857 1.00 0.00 O ATOM 42 CB SER A 4 55.638 16.144 8.956 1.00 0.00 C ATOM 43 OG SER A 4 54.477 15.370 8.689 1.00 0.00 O ATOM 0 H SER A 4 53.736 17.513 7.739 1.00 0.00 H new ATOM 0 HA SER A 4 56.754 17.736 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 4 56.510 15.496 9.038 1.00 0.00 H new ATOM 0 HB3 SER A 4 55.533 16.660 9.910 1.00 0.00 H new ATOM 0 HG SER A 4 54.346 14.718 9.409 1.00 0.00 H new ATOM 49 N THR A 5 57.160 16.207 6.028 1.00 0.00 N ATOM 50 CA THR A 5 57.353 15.515 4.718 1.00 0.00 C ATOM 51 C THR A 5 58.627 14.667 4.750 1.00 0.00 C ATOM 52 O THR A 5 59.728 15.186 4.703 1.00 0.00 O ATOM 53 CB THR A 5 57.483 16.641 3.692 1.00 0.00 C ATOM 54 OG1 THR A 5 58.337 17.653 4.207 1.00 0.00 O ATOM 55 CG2 THR A 5 56.103 17.234 3.402 1.00 0.00 C ATOM 0 H THR A 5 58.021 16.463 6.511 1.00 0.00 H new ATOM 0 HA THR A 5 56.530 14.841 4.481 1.00 0.00 H new ATOM 0 HB THR A 5 57.905 16.244 2.769 1.00 0.00 H new ATOM 0 HG1 THR A 5 59.190 17.254 4.479 1.00 0.00 H new ATOM 0 HG21 THR A 5 56.198 18.036 2.670 1.00 0.00 H new ATOM 0 HG22 THR A 5 55.449 16.457 3.006 1.00 0.00 H new ATOM 0 HG23 THR A 5 55.677 17.632 4.323 1.00 0.00 H new ATOM 63 N SER A 6 58.484 13.369 4.832 1.00 0.00 N ATOM 64 CA SER A 6 59.683 12.479 4.868 1.00 0.00 C ATOM 65 C SER A 6 59.410 11.189 4.091 1.00 0.00 C ATOM 66 O SER A 6 59.921 10.988 3.005 1.00 0.00 O ATOM 67 CB SER A 6 59.908 12.178 6.350 1.00 0.00 C ATOM 68 OG SER A 6 60.411 13.342 6.993 1.00 0.00 O ATOM 0 H SER A 6 57.587 12.886 4.876 1.00 0.00 H new ATOM 0 HA SER A 6 60.556 12.944 4.410 1.00 0.00 H new ATOM 0 HB2 SER A 6 58.973 11.866 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 6 60.611 11.353 6.463 1.00 0.00 H new ATOM 0 HG SER A 6 60.555 13.154 7.944 1.00 0.00 H new ATOM 74 N GLU A 7 58.609 10.316 4.642 1.00 0.00 N ATOM 75 CA GLU A 7 58.293 9.032 3.947 1.00 0.00 C ATOM 76 C GLU A 7 56.929 9.126 3.256 1.00 0.00 C ATOM 77 O GLU A 7 55.906 8.834 3.845 1.00 0.00 O ATOM 78 CB GLU A 7 58.262 7.979 5.055 1.00 0.00 C ATOM 79 CG GLU A 7 59.665 7.401 5.251 1.00 0.00 C ATOM 80 CD GLU A 7 59.766 6.765 6.638 1.00 0.00 C ATOM 81 OE1 GLU A 7 59.089 5.776 6.865 1.00 0.00 O ATOM 82 OE2 GLU A 7 60.518 7.279 7.451 1.00 0.00 O ATOM 0 H GLU A 7 58.157 10.437 5.548 1.00 0.00 H new ATOM 0 HA GLU A 7 59.023 8.789 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 7 57.908 8.425 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 7 57.563 7.184 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 7 59.874 6.657 4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 7 60.412 8.188 5.145 1.00 0.00 H new ATOM 89 N LEU A 8 56.912 9.529 2.012 1.00 0.00 N ATOM 90 CA LEU A 8 55.619 9.645 1.271 1.00 0.00 C ATOM 91 C LEU A 8 55.828 9.317 -0.209 1.00 0.00 C ATOM 92 O LEU A 8 56.759 8.624 -0.575 1.00 0.00 O ATOM 93 CB LEU A 8 55.179 11.107 1.457 1.00 0.00 C ATOM 94 CG LEU A 8 53.811 11.159 2.148 1.00 0.00 C ATOM 95 CD1 LEU A 8 53.411 12.616 2.378 1.00 0.00 C ATOM 96 CD2 LEU A 8 52.757 10.481 1.267 1.00 0.00 C ATOM 0 H LEU A 8 57.741 9.784 1.475 1.00 0.00 H new ATOM 0 HA LEU A 8 54.865 8.951 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.917 11.645 2.052 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.126 11.605 0.489 1.00 0.00 H new ATOM 0 HG LEU A 8 53.874 10.638 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 8 52.439 12.653 2.869 1.00 0.00 H new ATOM 0 HD12 LEU A 8 54.155 13.102 3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 8 53.354 13.133 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 8 51.787 10.521 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 8 52.696 10.998 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.037 9.441 1.101 1.00 0.00 H new ATOM 108 N LYS A 9 54.960 9.804 -1.064 1.00 0.00 N ATOM 109 CA LYS A 9 55.082 9.522 -2.533 1.00 0.00 C ATOM 110 C LYS A 9 55.049 8.013 -2.781 1.00 0.00 C ATOM 111 O LYS A 9 55.138 7.225 -1.858 1.00 0.00 O ATOM 112 CB LYS A 9 56.428 10.117 -2.970 1.00 0.00 C ATOM 113 CG LYS A 9 56.287 10.739 -4.364 1.00 0.00 C ATOM 114 CD LYS A 9 56.780 9.748 -5.425 1.00 0.00 C ATOM 115 CE LYS A 9 58.213 10.101 -5.833 1.00 0.00 C ATOM 116 NZ LYS A 9 58.375 9.525 -7.198 1.00 0.00 N ATOM 0 H LYS A 9 54.166 10.390 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 9 54.259 9.959 -3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 9 56.752 10.873 -2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 9 57.193 9.341 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 9 55.246 11.000 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 9 56.863 11.663 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 9 56.743 8.732 -5.033 1.00 0.00 H new ATOM 0 HD3 LYS A 9 56.126 9.777 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 9 58.368 11.180 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 9 58.938 9.678 -5.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 59.334 9.725 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 58.228 8.496 -7.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 57.676 9.951 -7.840 1.00 0.00 H new ATOM 130 N LYS A 10 54.915 7.607 -4.017 1.00 0.00 N ATOM 131 CA LYS A 10 54.866 6.144 -4.326 1.00 0.00 C ATOM 132 C LYS A 10 56.152 5.455 -3.858 1.00 0.00 C ATOM 133 O LYS A 10 57.101 6.098 -3.448 1.00 0.00 O ATOM 134 CB LYS A 10 54.727 6.052 -5.848 1.00 0.00 C ATOM 135 CG LYS A 10 53.255 6.225 -6.247 1.00 0.00 C ATOM 136 CD LYS A 10 53.026 7.640 -6.788 1.00 0.00 C ATOM 137 CE LYS A 10 53.820 7.828 -8.084 1.00 0.00 C ATOM 138 NZ LYS A 10 53.120 8.926 -8.806 1.00 0.00 N ATOM 0 H LYS A 10 54.837 8.223 -4.826 1.00 0.00 H new ATOM 0 HA LYS A 10 54.040 5.649 -3.816 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.335 6.820 -6.325 1.00 0.00 H new ATOM 0 HB3 LYS A 10 55.098 5.089 -6.199 1.00 0.00 H new ATOM 0 HG2 LYS A 10 52.985 5.488 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 10 52.612 6.047 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 10 51.964 7.802 -6.973 1.00 0.00 H new ATOM 0 HD3 LYS A 10 53.337 8.378 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 10 54.858 8.090 -7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 10 53.834 6.912 -8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 53.605 9.114 -9.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 52.137 8.646 -8.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.128 9.786 -8.222 1.00 0.00 H new ATOM 152 N VAL A 11 56.185 4.150 -3.920 1.00 0.00 N ATOM 153 CA VAL A 11 57.398 3.390 -3.484 1.00 0.00 C ATOM 154 C VAL A 11 57.457 2.066 -4.235 1.00 0.00 C ATOM 155 O VAL A 11 56.461 1.592 -4.741 1.00 0.00 O ATOM 156 CB VAL A 11 57.248 3.143 -1.978 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.445 4.459 -1.226 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.863 2.564 -1.666 1.00 0.00 C ATOM 0 H VAL A 11 55.416 3.571 -4.257 1.00 0.00 H new ATOM 0 HA VAL A 11 58.315 3.941 -3.692 1.00 0.00 H new ATOM 0 HB VAL A 11 58.003 2.424 -1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.339 4.286 -0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.441 4.851 -1.433 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.696 5.180 -1.553 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.773 2.394 -0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.094 3.266 -1.988 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.736 1.619 -2.194 1.00 0.00 H new ATOM 168 N VAL A 12 58.612 1.470 -4.314 1.00 0.00 N ATOM 169 CA VAL A 12 58.741 0.179 -5.042 1.00 0.00 C ATOM 170 C VAL A 12 58.639 -0.983 -4.029 1.00 0.00 C ATOM 171 O VAL A 12 58.524 -0.764 -2.839 1.00 0.00 O ATOM 172 CB VAL A 12 60.135 0.296 -5.723 1.00 0.00 C ATOM 173 CG1 VAL A 12 60.957 -1.002 -5.660 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.948 0.679 -7.190 1.00 0.00 C ATOM 0 H VAL A 12 59.476 1.823 -3.904 1.00 0.00 H new ATOM 0 HA VAL A 12 57.965 -0.020 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 12 60.687 1.059 -5.174 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.917 -0.849 -6.153 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.124 -1.277 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.414 -1.802 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.922 0.762 -7.671 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.359 -0.087 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.429 1.636 -7.253 1.00 0.00 H new ATOM 184 N ALA A 13 58.694 -2.204 -4.497 1.00 0.00 N ATOM 185 CA ALA A 13 58.621 -3.378 -3.576 1.00 0.00 C ATOM 186 C ALA A 13 59.887 -4.227 -3.728 1.00 0.00 C ATOM 187 O ALA A 13 60.345 -4.473 -4.828 1.00 0.00 O ATOM 188 CB ALA A 13 57.391 -4.165 -4.028 1.00 0.00 C ATOM 0 H ALA A 13 58.787 -2.439 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 13 58.548 -3.085 -2.529 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.270 -5.046 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.505 -3.535 -3.945 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.519 -4.476 -5.065 1.00 0.00 H new ATOM 194 N LEU A 14 60.460 -4.669 -2.636 1.00 0.00 N ATOM 195 CA LEU A 14 61.703 -5.495 -2.721 1.00 0.00 C ATOM 196 C LEU A 14 61.360 -6.981 -2.832 1.00 0.00 C ATOM 197 O LEU A 14 61.525 -7.587 -3.873 1.00 0.00 O ATOM 198 CB LEU A 14 62.460 -5.218 -1.421 1.00 0.00 C ATOM 199 CG LEU A 14 63.023 -3.795 -1.453 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.649 -3.464 -0.096 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.092 -3.694 -2.542 1.00 0.00 C ATOM 0 H LEU A 14 60.121 -4.493 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 14 62.295 -5.244 -3.601 1.00 0.00 H new ATOM 0 HB2 LEU A 14 61.794 -5.338 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.269 -5.938 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 14 62.218 -3.091 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.050 -2.451 -0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.890 -3.537 0.683 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.454 -4.168 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.493 -2.681 -2.565 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.896 -4.398 -2.329 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.649 -3.931 -3.509 1.00 0.00 H new ATOM 213 N TYR A 15 60.895 -7.571 -1.763 1.00 0.00 N ATOM 214 CA TYR A 15 60.549 -9.025 -1.794 1.00 0.00 C ATOM 215 C TYR A 15 59.032 -9.223 -1.751 1.00 0.00 C ATOM 216 O TYR A 15 58.277 -8.282 -1.604 1.00 0.00 O ATOM 217 CB TYR A 15 61.199 -9.615 -0.541 1.00 0.00 C ATOM 218 CG TYR A 15 62.698 -9.456 -0.626 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.440 -10.268 -1.492 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.346 -8.497 0.160 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.830 -10.121 -1.572 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.736 -8.349 0.082 1.00 0.00 C ATOM 223 CZ TYR A 15 65.478 -9.162 -0.785 1.00 0.00 C ATOM 224 OH TYR A 15 66.848 -9.017 -0.862 1.00 0.00 O ATOM 0 H TYR A 15 60.739 -7.109 -0.867 1.00 0.00 H new ATOM 0 HA TYR A 15 60.901 -9.506 -2.706 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.820 -9.113 0.349 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.940 -10.669 -0.447 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.940 -11.008 -2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.773 -7.870 0.828 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.402 -10.747 -2.241 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.236 -7.609 0.689 1.00 0.00 H new ATOM 0 HH TYR A 15 67.137 -8.307 -0.251 1.00 0.00 H new ATOM 234 N ASP A 16 58.588 -10.448 -1.880 1.00 0.00 N ATOM 235 CA ASP A 16 57.120 -10.729 -1.851 1.00 0.00 C ATOM 236 C ASP A 16 56.579 -10.609 -0.424 1.00 0.00 C ATOM 237 O ASP A 16 57.260 -10.917 0.536 1.00 0.00 O ATOM 238 CB ASP A 16 56.977 -12.166 -2.358 1.00 0.00 C ATOM 239 CG ASP A 16 57.151 -12.192 -3.877 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.427 -11.476 -4.548 1.00 0.00 O ATOM 241 OD2 ASP A 16 58.005 -12.929 -4.344 1.00 0.00 O ATOM 0 H ASP A 16 59.181 -11.268 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 16 56.558 -10.023 -2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.722 -12.805 -1.885 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.999 -12.563 -2.087 1.00 0.00 H new ATOM 246 N TYR A 17 55.358 -10.159 -0.283 1.00 0.00 N ATOM 247 CA TYR A 17 54.756 -10.008 1.072 1.00 0.00 C ATOM 248 C TYR A 17 53.223 -9.978 0.944 1.00 0.00 C ATOM 249 O TYR A 17 52.632 -8.948 0.683 1.00 0.00 O ATOM 250 CB TYR A 17 55.330 -8.677 1.587 1.00 0.00 C ATOM 251 CG TYR A 17 54.618 -8.217 2.841 1.00 0.00 C ATOM 252 CD1 TYR A 17 55.077 -8.622 4.098 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.506 -7.372 2.740 1.00 0.00 C ATOM 254 CE1 TYR A 17 54.424 -8.183 5.256 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.852 -6.934 3.896 1.00 0.00 C ATOM 256 CZ TYR A 17 53.310 -7.338 5.156 1.00 0.00 C ATOM 257 OH TYR A 17 52.666 -6.902 6.296 1.00 0.00 O ATOM 0 H TYR A 17 54.750 -9.888 -1.056 1.00 0.00 H new ATOM 0 HA TYR A 17 54.984 -10.824 1.757 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.394 -8.793 1.793 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.236 -7.915 0.813 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.935 -9.273 4.176 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.153 -7.058 1.769 1.00 0.00 H new ATOM 0 HE1 TYR A 17 54.779 -8.496 6.227 1.00 0.00 H new ATOM 0 HE2 TYR A 17 51.993 -6.284 3.817 1.00 0.00 H new ATOM 0 HH TYR A 17 53.299 -6.887 7.044 1.00 0.00 H new ATOM 267 N MET A 18 52.588 -11.111 1.113 1.00 0.00 N ATOM 268 CA MET A 18 51.100 -11.176 0.993 1.00 0.00 C ATOM 269 C MET A 18 50.433 -10.911 2.352 1.00 0.00 C ATOM 270 O MET A 18 51.094 -10.944 3.371 1.00 0.00 O ATOM 271 CB MET A 18 50.804 -12.600 0.521 1.00 0.00 C ATOM 272 CG MET A 18 50.782 -12.638 -1.008 1.00 0.00 C ATOM 273 SD MET A 18 51.091 -14.329 -1.575 1.00 0.00 S ATOM 274 CE MET A 18 49.400 -14.945 -1.380 1.00 0.00 C ATOM 0 H MET A 18 53.040 -11.999 1.330 1.00 0.00 H new ATOM 0 HA MET A 18 50.713 -10.425 0.304 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.562 -13.285 0.901 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.845 -12.934 0.917 1.00 0.00 H new ATOM 0 HG2 MET A 18 49.817 -12.290 -1.377 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.539 -11.964 -1.410 1.00 0.00 H new ATOM 0 HE1 MET A 18 49.358 -15.992 -1.679 1.00 0.00 H new ATOM 0 HE2 MET A 18 49.097 -14.853 -0.337 1.00 0.00 H new ATOM 0 HE3 MET A 18 48.726 -14.361 -2.006 1.00 0.00 H new ATOM 284 N PRO A 19 49.137 -10.643 2.336 1.00 0.00 N ATOM 285 CA PRO A 19 48.410 -10.363 3.595 1.00 0.00 C ATOM 286 C PRO A 19 48.331 -11.611 4.480 1.00 0.00 C ATOM 287 O PRO A 19 48.330 -12.728 4.000 1.00 0.00 O ATOM 288 CB PRO A 19 47.017 -9.955 3.098 1.00 0.00 C ATOM 289 CG PRO A 19 47.004 -10.018 1.561 1.00 0.00 C ATOM 290 CD PRO A 19 48.336 -10.598 1.082 1.00 0.00 C ATOM 0 HA PRO A 19 48.893 -9.603 4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.259 -10.621 3.510 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.775 -8.948 3.437 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.176 -10.637 1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.853 -9.022 1.143 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.213 -11.588 0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.803 -9.969 0.324 1.00 0.00 H new ATOM 298 N MET A 20 48.249 -11.418 5.772 1.00 0.00 N ATOM 299 CA MET A 20 48.152 -12.577 6.709 1.00 0.00 C ATOM 300 C MET A 20 46.717 -12.684 7.228 1.00 0.00 C ATOM 301 O MET A 20 46.100 -13.731 7.171 1.00 0.00 O ATOM 302 CB MET A 20 49.112 -12.254 7.855 1.00 0.00 C ATOM 303 CG MET A 20 50.531 -12.085 7.307 1.00 0.00 C ATOM 304 SD MET A 20 51.732 -12.584 8.566 1.00 0.00 S ATOM 305 CE MET A 20 52.130 -10.925 9.169 1.00 0.00 C ATOM 0 H MET A 20 48.245 -10.502 6.220 1.00 0.00 H new ATOM 0 HA MET A 20 48.405 -13.524 6.233 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.796 -11.342 8.361 1.00 0.00 H new ATOM 0 HB3 MET A 20 49.091 -13.053 8.596 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.659 -12.689 6.409 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.700 -11.047 7.020 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.882 -10.994 9.955 1.00 0.00 H new ATOM 0 HE2 MET A 20 52.518 -10.323 8.348 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.230 -10.457 9.568 1.00 0.00 H new ATOM 315 N ASN A 21 46.187 -11.598 7.724 1.00 0.00 N ATOM 316 CA ASN A 21 44.786 -11.605 8.243 1.00 0.00 C ATOM 317 C ASN A 21 43.915 -10.675 7.390 1.00 0.00 C ATOM 318 O ASN A 21 43.154 -11.120 6.553 1.00 0.00 O ATOM 319 CB ASN A 21 44.891 -11.094 9.681 1.00 0.00 C ATOM 320 CG ASN A 21 44.995 -12.281 10.640 1.00 0.00 C ATOM 321 OD1 ASN A 21 44.214 -12.401 11.564 1.00 0.00 O ATOM 322 ND2 ASN A 21 45.931 -13.171 10.458 1.00 0.00 N ATOM 0 H ASN A 21 46.666 -10.700 7.793 1.00 0.00 H new ATOM 0 HA ASN A 21 44.328 -12.593 8.205 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.765 -10.451 9.786 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.018 -10.489 9.928 1.00 0.00 H new ATOM 0 HD21 ASN A 21 46.008 -13.967 11.091 1.00 0.00 H new ATOM 0 HD22 ASN A 21 46.586 -13.071 9.683 1.00 0.00 H new ATOM 329 N ALA A 22 44.031 -9.386 7.593 1.00 0.00 N ATOM 330 CA ALA A 22 43.220 -8.419 6.791 1.00 0.00 C ATOM 331 C ALA A 22 43.802 -7.005 6.903 1.00 0.00 C ATOM 332 O ALA A 22 43.098 -6.022 6.765 1.00 0.00 O ATOM 333 CB ALA A 22 41.818 -8.474 7.398 1.00 0.00 C ATOM 0 H ALA A 22 44.653 -8.961 8.281 1.00 0.00 H new ATOM 0 HA ALA A 22 43.215 -8.671 5.731 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.162 -7.789 6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.427 -9.488 7.318 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.864 -8.184 8.448 1.00 0.00 H new ATOM 339 N ASN A 23 45.085 -6.901 7.135 1.00 0.00 N ATOM 340 CA ASN A 23 45.734 -5.560 7.241 1.00 0.00 C ATOM 341 C ASN A 23 46.901 -5.473 6.282 1.00 0.00 C ATOM 342 O ASN A 23 46.987 -4.587 5.453 1.00 0.00 O ATOM 343 CB ASN A 23 46.279 -5.469 8.657 1.00 0.00 C ATOM 344 CG ASN A 23 45.245 -4.812 9.572 1.00 0.00 C ATOM 345 OD1 ASN A 23 45.167 -3.601 9.651 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.440 -5.564 10.272 1.00 0.00 N ATOM 0 H ASN A 23 45.715 -7.694 7.256 1.00 0.00 H new ATOM 0 HA ASN A 23 45.025 -4.765 7.010 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.524 -6.465 9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.203 -4.891 8.664 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.746 -5.136 10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.505 -6.580 10.206 1.00 0.00 H new ATOM 353 N ASP A 24 47.819 -6.386 6.425 1.00 0.00 N ATOM 354 CA ASP A 24 49.034 -6.387 5.565 1.00 0.00 C ATOM 355 C ASP A 24 48.652 -6.269 4.082 1.00 0.00 C ATOM 356 O ASP A 24 47.756 -6.944 3.611 1.00 0.00 O ATOM 357 CB ASP A 24 49.721 -7.722 5.857 1.00 0.00 C ATOM 358 CG ASP A 24 50.255 -7.719 7.291 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.660 -6.664 7.751 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.249 -8.772 7.906 1.00 0.00 O ATOM 0 H ASP A 24 47.779 -7.141 7.110 1.00 0.00 H new ATOM 0 HA ASP A 24 49.689 -5.541 5.774 1.00 0.00 H new ATOM 0 HB2 ASP A 24 49.017 -8.543 5.722 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.538 -7.884 5.154 1.00 0.00 H new ATOM 365 N LEU A 25 49.312 -5.405 3.356 1.00 0.00 N ATOM 366 CA LEU A 25 48.977 -5.228 1.914 1.00 0.00 C ATOM 367 C LEU A 25 49.671 -6.300 1.073 1.00 0.00 C ATOM 368 O LEU A 25 50.736 -6.777 1.415 1.00 0.00 O ATOM 369 CB LEU A 25 49.484 -3.825 1.555 1.00 0.00 C ATOM 370 CG LEU A 25 48.957 -3.438 0.167 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.458 -3.138 0.251 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.692 -2.193 -0.342 1.00 0.00 C ATOM 0 H LEU A 25 50.069 -4.814 3.701 1.00 0.00 H new ATOM 0 HA LEU A 25 47.909 -5.328 1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.148 -3.103 2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.574 -3.806 1.562 1.00 0.00 H new ATOM 0 HG LEU A 25 49.128 -4.266 -0.521 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.086 -2.863 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.929 -4.023 0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.290 -2.314 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.313 -1.924 -1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.527 -1.366 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.760 -2.403 -0.409 1.00 0.00 H new ATOM 384 N GLN A 26 49.064 -6.690 -0.020 1.00 0.00 N ATOM 385 CA GLN A 26 49.675 -7.741 -0.888 1.00 0.00 C ATOM 386 C GLN A 26 50.796 -7.143 -1.737 1.00 0.00 C ATOM 387 O GLN A 26 50.603 -6.807 -2.890 1.00 0.00 O ATOM 388 CB GLN A 26 48.535 -8.241 -1.778 1.00 0.00 C ATOM 389 CG GLN A 26 48.878 -9.632 -2.312 1.00 0.00 C ATOM 390 CD GLN A 26 47.590 -10.433 -2.518 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.794 -10.567 -1.612 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.352 -10.973 -3.682 1.00 0.00 N ATOM 0 H GLN A 26 48.170 -6.325 -0.349 1.00 0.00 H new ATOM 0 HA GLN A 26 50.117 -8.548 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.605 -8.277 -1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.376 -7.551 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.421 -9.548 -3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.533 -10.150 -1.612 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.022 -10.860 -4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.496 -11.508 -3.831 1.00 0.00 H new ATOM 401 N LEU A 27 51.967 -7.015 -1.171 1.00 0.00 N ATOM 402 CA LEU A 27 53.114 -6.446 -1.930 1.00 0.00 C ATOM 403 C LEU A 27 53.718 -7.513 -2.851 1.00 0.00 C ATOM 404 O LEU A 27 53.138 -8.562 -3.063 1.00 0.00 O ATOM 405 CB LEU A 27 54.117 -6.013 -0.856 1.00 0.00 C ATOM 406 CG LEU A 27 53.844 -4.562 -0.454 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.028 -4.532 0.838 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.171 -3.831 -0.232 1.00 0.00 C ATOM 0 H LEU A 27 52.177 -7.283 -0.209 1.00 0.00 H new ATOM 0 HA LEU A 27 52.823 -5.613 -2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.036 -6.664 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.135 -6.111 -1.234 1.00 0.00 H new ATOM 0 HG LEU A 27 53.285 -4.069 -1.249 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.835 -3.498 1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.081 -5.048 0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.586 -5.028 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.974 -2.798 0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.731 -4.327 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.754 -3.847 -1.153 1.00 0.00 H new ATOM 420 N ARG A 28 54.870 -7.244 -3.406 1.00 0.00 N ATOM 421 CA ARG A 28 55.520 -8.223 -4.327 1.00 0.00 C ATOM 422 C ARG A 28 56.960 -7.793 -4.609 1.00 0.00 C ATOM 423 O ARG A 28 57.548 -7.035 -3.860 1.00 0.00 O ATOM 424 CB ARG A 28 54.686 -8.174 -5.608 1.00 0.00 C ATOM 425 CG ARG A 28 54.586 -9.578 -6.209 1.00 0.00 C ATOM 426 CD ARG A 28 53.210 -9.763 -6.853 1.00 0.00 C ATOM 427 NE ARG A 28 53.406 -10.823 -7.880 1.00 0.00 N ATOM 428 CZ ARG A 28 53.519 -10.498 -9.139 1.00 0.00 C ATOM 429 NH1 ARG A 28 54.638 -9.996 -9.585 1.00 0.00 N ATOM 430 NH2 ARG A 28 52.515 -10.677 -9.953 1.00 0.00 N ATOM 0 H ARG A 28 55.393 -6.381 -3.260 1.00 0.00 H new ATOM 0 HA ARG A 28 55.560 -9.228 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.690 -7.789 -5.391 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.142 -7.492 -6.325 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.369 -9.723 -6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.740 -10.328 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 28 52.465 -10.061 -6.115 1.00 0.00 H new ATOM 0 HD3 ARG A 28 52.858 -8.836 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 28 53.452 -11.803 -7.600 1.00 0.00 H new ATOM 0 HH11 ARG A 28 55.424 -9.858 -8.950 1.00 0.00 H new ATOM 0 HH12 ARG A 28 54.727 -9.742 -10.569 1.00 0.00 H new ATOM 0 HH21 ARG A 28 51.641 -11.071 -9.606 1.00 0.00 H new ATOM 0 HH22 ARG A 28 52.604 -10.423 -10.937 1.00 0.00 H new ATOM 444 N LYS A 29 57.530 -8.271 -5.685 1.00 0.00 N ATOM 445 CA LYS A 29 58.928 -7.894 -6.025 1.00 0.00 C ATOM 446 C LYS A 29 58.968 -7.165 -7.370 1.00 0.00 C ATOM 447 O LYS A 29 58.560 -7.691 -8.387 1.00 0.00 O ATOM 448 CB LYS A 29 59.694 -9.220 -6.090 1.00 0.00 C ATOM 449 CG LYS A 29 61.166 -8.959 -6.438 1.00 0.00 C ATOM 450 CD LYS A 29 61.643 -9.982 -7.474 1.00 0.00 C ATOM 451 CE LYS A 29 61.355 -9.455 -8.881 1.00 0.00 C ATOM 452 NZ LYS A 29 61.749 -10.564 -9.794 1.00 0.00 N ATOM 0 H LYS A 29 57.083 -8.909 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 29 59.366 -7.215 -5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.624 -9.737 -5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.245 -9.873 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.283 -7.949 -6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.779 -9.025 -5.539 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.711 -10.166 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.136 -10.935 -7.320 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.302 -9.201 -9.000 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.927 -8.550 -9.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 61.581 -10.278 -10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 62.758 -10.779 -9.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.184 -11.410 -9.577 1.00 0.00 H new ATOM 466 N GLY A 30 59.455 -5.948 -7.371 1.00 0.00 N ATOM 467 CA GLY A 30 59.523 -5.163 -8.637 1.00 0.00 C ATOM 468 C GLY A 30 58.284 -4.271 -8.761 1.00 0.00 C ATOM 469 O GLY A 30 58.297 -3.285 -9.473 1.00 0.00 O ATOM 0 H GLY A 30 59.809 -5.465 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.425 -4.552 -8.649 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.584 -5.837 -9.491 1.00 0.00 H new ATOM 473 N ASP A 31 57.217 -4.605 -8.074 1.00 0.00 N ATOM 474 CA ASP A 31 55.984 -3.771 -8.154 1.00 0.00 C ATOM 475 C ASP A 31 56.130 -2.542 -7.257 1.00 0.00 C ATOM 476 O ASP A 31 56.961 -2.513 -6.373 1.00 0.00 O ATOM 477 CB ASP A 31 54.854 -4.673 -7.652 1.00 0.00 C ATOM 478 CG ASP A 31 54.193 -5.372 -8.841 1.00 0.00 C ATOM 479 OD1 ASP A 31 54.915 -5.906 -9.666 1.00 0.00 O ATOM 480 OD2 ASP A 31 52.974 -5.361 -8.906 1.00 0.00 O ATOM 0 H ASP A 31 57.151 -5.419 -7.463 1.00 0.00 H new ATOM 0 HA ASP A 31 55.792 -3.411 -9.165 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.247 -5.413 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.117 -4.082 -7.108 1.00 0.00 H new ATOM 485 N GLU A 32 55.333 -1.527 -7.474 1.00 0.00 N ATOM 486 CA GLU A 32 55.432 -0.296 -6.624 1.00 0.00 C ATOM 487 C GLU A 32 54.038 0.067 -6.104 1.00 0.00 C ATOM 488 O GLU A 32 53.042 -0.428 -6.601 1.00 0.00 O ATOM 489 CB GLU A 32 55.994 0.816 -7.529 1.00 0.00 C ATOM 490 CG GLU A 32 57.149 0.293 -8.394 1.00 0.00 C ATOM 491 CD GLU A 32 56.593 -0.245 -9.715 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.625 0.318 -10.200 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.145 -1.208 -10.219 1.00 0.00 O ATOM 0 H GLU A 32 54.618 -1.495 -8.201 1.00 0.00 H new ATOM 0 HA GLU A 32 56.080 -0.442 -5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.202 1.203 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.342 1.647 -6.916 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.864 1.093 -8.587 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.686 -0.495 -7.865 1.00 0.00 H new ATOM 500 N TYR A 33 53.953 0.883 -5.081 1.00 0.00 N ATOM 501 CA TYR A 33 52.618 1.222 -4.502 1.00 0.00 C ATOM 502 C TYR A 33 52.456 2.728 -4.286 1.00 0.00 C ATOM 503 O TYR A 33 53.253 3.531 -4.731 1.00 0.00 O ATOM 504 CB TYR A 33 52.588 0.522 -3.137 1.00 0.00 C ATOM 505 CG TYR A 33 53.149 -0.876 -3.237 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.392 -1.896 -3.821 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.435 -1.139 -2.760 1.00 0.00 C ATOM 508 CE1 TYR A 33 52.927 -3.181 -3.929 1.00 0.00 C ATOM 509 CE2 TYR A 33 54.968 -2.423 -2.864 1.00 0.00 C ATOM 510 CZ TYR A 33 54.215 -3.444 -3.450 1.00 0.00 C ATOM 511 OH TYR A 33 54.744 -4.708 -3.560 1.00 0.00 O ATOM 0 H TYR A 33 54.749 1.327 -4.624 1.00 0.00 H new ATOM 0 HA TYR A 33 51.818 0.908 -5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.165 1.099 -2.415 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.564 0.482 -2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.397 -1.691 -4.187 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.017 -0.348 -2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.347 -3.971 -4.382 1.00 0.00 H new ATOM 0 HE2 TYR A 33 55.961 -2.628 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 33 54.904 -4.915 -4.505 1.00 0.00 H new ATOM 521 N PHE A 34 51.420 3.096 -3.576 1.00 0.00 N ATOM 522 CA PHE A 34 51.164 4.537 -3.276 1.00 0.00 C ATOM 523 C PHE A 34 51.205 4.760 -1.763 1.00 0.00 C ATOM 524 O PHE A 34 50.540 4.069 -1.018 1.00 0.00 O ATOM 525 CB PHE A 34 49.765 4.812 -3.816 1.00 0.00 C ATOM 526 CG PHE A 34 49.863 5.294 -5.243 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.328 4.431 -6.242 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.492 6.605 -5.566 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.421 4.878 -7.566 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.586 7.052 -6.890 1.00 0.00 C ATOM 531 CZ PHE A 34 50.050 6.188 -7.890 1.00 0.00 C ATOM 0 H PHE A 34 50.732 2.451 -3.187 1.00 0.00 H new ATOM 0 HA PHE A 34 51.907 5.196 -3.724 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.160 3.906 -3.767 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.267 5.561 -3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.615 3.420 -5.992 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.134 7.271 -4.795 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.779 4.212 -8.337 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.301 8.063 -7.140 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.121 6.533 -8.911 1.00 0.00 H new ATOM 541 N ILE A 35 51.987 5.705 -1.304 1.00 0.00 N ATOM 542 CA ILE A 35 52.083 5.946 0.169 1.00 0.00 C ATOM 543 C ILE A 35 51.196 7.112 0.611 1.00 0.00 C ATOM 544 O ILE A 35 51.182 8.169 0.012 1.00 0.00 O ATOM 545 CB ILE A 35 53.556 6.283 0.435 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.470 5.162 -0.084 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.782 6.467 1.940 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.124 3.831 0.592 1.00 0.00 C ATOM 0 H ILE A 35 52.561 6.318 -1.883 1.00 0.00 H new ATOM 0 HA ILE A 35 51.746 5.072 0.726 1.00 0.00 H new ATOM 0 HB ILE A 35 53.799 7.207 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.361 5.067 -1.164 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.512 5.415 0.110 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.829 6.706 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.155 7.280 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.523 5.546 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.781 3.049 0.212 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.257 3.925 1.670 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.088 3.571 0.375 1.00 0.00 H new ATOM 560 N LEU A 36 50.488 6.918 1.689 1.00 0.00 N ATOM 561 CA LEU A 36 49.619 7.995 2.242 1.00 0.00 C ATOM 562 C LEU A 36 50.283 8.560 3.503 1.00 0.00 C ATOM 563 O LEU A 36 50.159 9.727 3.822 1.00 0.00 O ATOM 564 CB LEU A 36 48.304 7.295 2.590 1.00 0.00 C ATOM 565 CG LEU A 36 47.416 7.230 1.347 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.780 5.990 0.519 1.00 0.00 C ATOM 567 CD2 LEU A 36 45.949 7.149 1.777 1.00 0.00 C ATOM 0 H LEU A 36 50.475 6.046 2.218 1.00 0.00 H new ATOM 0 HA LEU A 36 49.459 8.822 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.502 6.290 2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.793 7.834 3.387 1.00 0.00 H new ATOM 0 HG LEU A 36 47.569 8.123 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.146 5.945 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.825 6.050 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.628 5.094 1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.313 7.103 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.796 6.255 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.692 8.032 2.363 1.00 0.00 H new ATOM 579 N GLU A 37 50.998 7.722 4.208 1.00 0.00 N ATOM 580 CA GLU A 37 51.704 8.153 5.445 1.00 0.00 C ATOM 581 C GLU A 37 52.636 7.020 5.876 1.00 0.00 C ATOM 582 O GLU A 37 52.847 6.083 5.127 1.00 0.00 O ATOM 583 CB GLU A 37 50.603 8.377 6.483 1.00 0.00 C ATOM 584 CG GLU A 37 50.954 9.592 7.346 1.00 0.00 C ATOM 585 CD GLU A 37 49.698 10.089 8.063 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.938 10.817 7.446 1.00 0.00 O ATOM 587 OE2 GLU A 37 49.518 9.734 9.215 1.00 0.00 O ATOM 0 H GLU A 37 51.123 6.738 3.971 1.00 0.00 H new ATOM 0 HA GLU A 37 52.301 9.056 5.313 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.646 8.535 5.985 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.494 7.492 7.110 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.720 9.325 8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 37 51.369 10.385 6.724 1.00 0.00 H new ATOM 594 N GLU A 38 53.183 7.076 7.064 1.00 0.00 N ATOM 595 CA GLU A 38 54.079 5.971 7.507 1.00 0.00 C ATOM 596 C GLU A 38 53.923 5.706 9.000 1.00 0.00 C ATOM 597 O GLU A 38 54.763 5.078 9.614 1.00 0.00 O ATOM 598 CB GLU A 38 55.502 6.432 7.174 1.00 0.00 C ATOM 599 CG GLU A 38 55.809 7.752 7.897 1.00 0.00 C ATOM 600 CD GLU A 38 55.658 8.923 6.923 1.00 0.00 C ATOM 601 OE1 GLU A 38 54.788 8.851 6.070 1.00 0.00 O ATOM 602 OE2 GLU A 38 56.414 9.871 7.046 1.00 0.00 O ATOM 0 H GLU A 38 53.049 7.830 7.737 1.00 0.00 H new ATOM 0 HA GLU A 38 53.836 5.034 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 38 56.220 5.668 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 38 55.608 6.564 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 38 55.133 7.880 8.742 1.00 0.00 H new ATOM 0 HG3 GLU A 38 56.822 7.730 8.300 1.00 0.00 H new ATOM 609 N SER A 39 52.838 6.158 9.574 1.00 0.00 N ATOM 610 CA SER A 39 52.577 5.930 11.034 1.00 0.00 C ATOM 611 C SER A 39 53.833 6.210 11.874 1.00 0.00 C ATOM 612 O SER A 39 54.790 6.791 11.396 1.00 0.00 O ATOM 613 CB SER A 39 52.198 4.451 11.111 1.00 0.00 C ATOM 614 OG SER A 39 50.798 4.314 10.906 1.00 0.00 O ATOM 0 H SER A 39 52.110 6.683 9.089 1.00 0.00 H new ATOM 0 HA SER A 39 51.803 6.590 11.426 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.745 3.884 10.358 1.00 0.00 H new ATOM 0 HB3 SER A 39 52.477 4.042 12.082 1.00 0.00 H new ATOM 0 HG SER A 39 50.552 3.367 10.953 1.00 0.00 H new ATOM 620 N ASN A 40 53.847 5.774 13.106 1.00 0.00 N ATOM 621 CA ASN A 40 55.051 5.978 13.961 1.00 0.00 C ATOM 622 C ASN A 40 55.906 4.705 13.933 1.00 0.00 C ATOM 623 O ASN A 40 56.573 4.371 14.894 1.00 0.00 O ATOM 624 CB ASN A 40 54.505 6.234 15.367 1.00 0.00 C ATOM 625 CG ASN A 40 55.569 6.942 16.208 1.00 0.00 C ATOM 626 OD1 ASN A 40 56.736 6.610 16.137 1.00 0.00 O ATOM 627 ND2 ASN A 40 55.213 7.909 17.008 1.00 0.00 N ATOM 0 H ASN A 40 53.074 5.284 13.557 1.00 0.00 H new ATOM 0 HA ASN A 40 55.678 6.803 13.623 1.00 0.00 H new ATOM 0 HB2 ASN A 40 53.604 6.845 15.313 1.00 0.00 H new ATOM 0 HB3 ASN A 40 54.224 5.291 15.836 1.00 0.00 H new ATOM 0 HD21 ASN A 40 55.914 8.387 17.574 1.00 0.00 H new ATOM 0 HD22 ASN A 40 54.234 8.187 17.067 1.00 0.00 H new ATOM 634 N LEU A 41 55.876 3.986 12.833 1.00 0.00 N ATOM 635 CA LEU A 41 56.672 2.721 12.728 1.00 0.00 C ATOM 636 C LEU A 41 56.975 2.407 11.244 1.00 0.00 C ATOM 637 O LEU A 41 56.335 2.958 10.370 1.00 0.00 O ATOM 638 CB LEU A 41 55.796 1.624 13.369 1.00 0.00 C ATOM 639 CG LEU A 41 54.374 1.641 12.787 1.00 0.00 C ATOM 640 CD1 LEU A 41 53.846 0.209 12.689 1.00 0.00 C ATOM 641 CD2 LEU A 41 53.453 2.444 13.708 1.00 0.00 C ATOM 0 H LEU A 41 55.333 4.223 12.003 1.00 0.00 H new ATOM 0 HA LEU A 41 57.635 2.795 13.233 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.250 0.647 13.200 1.00 0.00 H new ATOM 0 HB3 LEU A 41 55.753 1.773 14.448 1.00 0.00 H new ATOM 0 HG LEU A 41 54.397 2.097 11.797 1.00 0.00 H new ATOM 0 HD11 LEU A 41 52.837 0.221 12.276 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.497 -0.375 12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 41 53.827 -0.240 13.682 1.00 0.00 H new ATOM 0 HD21 LEU A 41 52.445 2.455 13.294 1.00 0.00 H new ATOM 0 HD22 LEU A 41 53.435 1.983 14.696 1.00 0.00 H new ATOM 0 HD23 LEU A 41 53.823 3.466 13.791 1.00 0.00 H new ATOM 653 N PRO A 42 57.955 1.545 10.987 1.00 0.00 N ATOM 654 CA PRO A 42 58.324 1.210 9.583 1.00 0.00 C ATOM 655 C PRO A 42 57.115 0.746 8.756 1.00 0.00 C ATOM 656 O PRO A 42 57.095 0.908 7.550 1.00 0.00 O ATOM 657 CB PRO A 42 59.346 0.081 9.761 1.00 0.00 C ATOM 658 CG PRO A 42 59.538 -0.183 11.265 1.00 0.00 C ATOM 659 CD PRO A 42 58.741 0.863 12.053 1.00 0.00 C ATOM 0 HA PRO A 42 58.712 2.068 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 42 59.000 -0.823 9.260 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.296 0.356 9.302 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.198 -1.187 11.519 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.595 -0.129 11.526 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.095 0.402 12.800 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.395 1.557 12.581 1.00 0.00 H new ATOM 667 N TRP A 43 56.114 0.180 9.381 1.00 0.00 N ATOM 668 CA TRP A 43 54.917 -0.282 8.610 1.00 0.00 C ATOM 669 C TRP A 43 54.022 0.922 8.302 1.00 0.00 C ATOM 670 O TRP A 43 53.669 1.683 9.184 1.00 0.00 O ATOM 671 CB TRP A 43 54.204 -1.277 9.526 1.00 0.00 C ATOM 672 CG TRP A 43 55.122 -2.402 9.869 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.968 -2.389 10.908 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.302 -3.688 9.207 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.666 -3.581 10.942 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.290 -4.419 9.911 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.715 -4.287 8.079 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.681 -5.696 9.511 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.106 -5.574 7.674 1.00 0.00 C ATOM 680 CH2 TRP A 43 56.086 -6.276 8.389 1.00 0.00 C ATOM 0 H TRP A 43 56.072 0.018 10.387 1.00 0.00 H new ATOM 0 HA TRP A 43 55.179 -0.745 7.658 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.875 -0.775 10.436 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.311 -1.662 9.033 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.086 -1.575 11.608 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.371 -3.813 11.642 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.959 -3.755 7.521 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.438 -6.232 10.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.649 -6.025 6.806 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.381 -7.265 8.072 1.00 0.00 H new ATOM 691 N TRP A 44 53.682 1.119 7.054 1.00 0.00 N ATOM 692 CA TRP A 44 52.843 2.294 6.672 1.00 0.00 C ATOM 693 C TRP A 44 51.418 1.865 6.298 1.00 0.00 C ATOM 694 O TRP A 44 50.989 0.765 6.572 1.00 0.00 O ATOM 695 CB TRP A 44 53.518 2.868 5.419 1.00 0.00 C ATOM 696 CG TRP A 44 54.978 3.131 5.624 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.606 3.352 6.805 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.994 3.208 4.597 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.954 3.562 6.555 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.239 3.481 5.202 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.944 3.065 3.203 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.404 3.610 4.442 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.105 3.191 2.433 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.337 3.464 3.050 1.00 0.00 C ATOM 0 H TRP A 44 53.951 0.513 6.279 1.00 0.00 H new ATOM 0 HA TRP A 44 52.768 3.003 7.496 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.390 2.172 4.590 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.021 3.796 5.135 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.136 3.363 7.777 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.649 3.752 7.277 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.001 2.856 2.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.348 3.820 4.923 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.054 3.078 1.360 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.231 3.561 2.452 1.00 0.00 H new ATOM 715 N ARG A 45 50.709 2.741 5.633 1.00 0.00 N ATOM 716 CA ARG A 45 49.330 2.438 5.167 1.00 0.00 C ATOM 717 C ARG A 45 49.237 2.893 3.707 1.00 0.00 C ATOM 718 O ARG A 45 48.710 3.945 3.401 1.00 0.00 O ATOM 719 CB ARG A 45 48.404 3.263 6.063 1.00 0.00 C ATOM 720 CG ARG A 45 47.153 2.448 6.391 1.00 0.00 C ATOM 721 CD ARG A 45 45.974 3.394 6.628 1.00 0.00 C ATOM 722 NE ARG A 45 44.871 2.520 7.117 1.00 0.00 N ATOM 723 CZ ARG A 45 44.675 2.371 8.398 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.993 3.263 9.061 1.00 0.00 N ATOM 725 NH2 ARG A 45 45.163 1.329 9.016 1.00 0.00 N ATOM 0 H ARG A 45 51.040 3.675 5.390 1.00 0.00 H new ATOM 0 HA ARG A 45 49.064 1.382 5.222 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.921 3.540 6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.126 4.190 5.561 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.926 1.765 5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.326 1.837 7.277 1.00 0.00 H new ATOM 0 HD2 ARG A 45 46.224 4.161 7.361 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.691 3.910 5.710 1.00 0.00 H new ATOM 0 HE ARG A 45 44.269 2.038 6.450 1.00 0.00 H new ATOM 0 HH11 ARG A 45 43.613 4.077 8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.840 3.147 10.063 1.00 0.00 H new ATOM 0 HH21 ARG A 45 45.697 0.632 8.497 1.00 0.00 H new ATOM 0 HH22 ARG A 45 45.010 1.212 10.018 1.00 0.00 H new ATOM 739 N ALA A 46 49.790 2.116 2.812 1.00 0.00 N ATOM 740 CA ALA A 46 49.797 2.495 1.367 1.00 0.00 C ATOM 741 C ALA A 46 48.892 1.557 0.568 1.00 0.00 C ATOM 742 O ALA A 46 48.455 0.537 1.066 1.00 0.00 O ATOM 743 CB ALA A 46 51.260 2.316 0.942 1.00 0.00 C ATOM 0 H ALA A 46 50.242 1.226 3.023 1.00 0.00 H new ATOM 0 HA ALA A 46 49.430 3.507 1.195 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.367 2.572 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 46 51.895 2.969 1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.559 1.279 1.095 1.00 0.00 H new ATOM 749 N ARG A 47 48.616 1.888 -0.673 1.00 0.00 N ATOM 750 CA ARG A 47 47.750 0.997 -1.499 1.00 0.00 C ATOM 751 C ARG A 47 48.505 0.491 -2.717 1.00 0.00 C ATOM 752 O ARG A 47 49.473 1.080 -3.157 1.00 0.00 O ATOM 753 CB ARG A 47 46.577 1.845 -1.970 1.00 0.00 C ATOM 754 CG ARG A 47 45.729 2.280 -0.779 1.00 0.00 C ATOM 755 CD ARG A 47 45.023 3.605 -1.092 1.00 0.00 C ATOM 756 NE ARG A 47 46.112 4.578 -1.391 1.00 0.00 N ATOM 757 CZ ARG A 47 45.824 5.733 -1.926 1.00 0.00 C ATOM 758 NH1 ARG A 47 44.878 6.473 -1.413 1.00 0.00 N ATOM 759 NH2 ARG A 47 46.482 6.148 -2.974 1.00 0.00 N ATOM 0 H ARG A 47 48.951 2.729 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 47 47.428 0.135 -0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 47 46.944 2.722 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG A 47 45.967 1.277 -2.672 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.991 1.512 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.358 2.394 0.104 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.348 3.499 -1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 47 44.421 3.938 -0.246 1.00 0.00 H new ATOM 0 HE ARG A 47 47.081 4.341 -1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.364 6.148 -0.594 1.00 0.00 H new ATOM 0 HH12 ARG A 47 44.653 7.376 -1.831 1.00 0.00 H new ATOM 0 HH21 ARG A 47 47.221 5.570 -3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 47 46.257 7.051 -3.393 1.00 0.00 H new ATOM 773 N ASP A 48 48.043 -0.588 -3.274 1.00 0.00 N ATOM 774 CA ASP A 48 48.688 -1.155 -4.486 1.00 0.00 C ATOM 775 C ASP A 48 47.689 -1.101 -5.653 1.00 0.00 C ATOM 776 O ASP A 48 46.827 -0.242 -5.682 1.00 0.00 O ATOM 777 CB ASP A 48 49.056 -2.598 -4.105 1.00 0.00 C ATOM 778 CG ASP A 48 47.832 -3.347 -3.566 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.747 -3.120 -4.076 1.00 0.00 O ATOM 780 OD2 ASP A 48 48.003 -4.137 -2.652 1.00 0.00 O ATOM 0 H ASP A 48 47.234 -1.109 -2.936 1.00 0.00 H new ATOM 0 HA ASP A 48 49.575 -0.607 -4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.452 -3.119 -4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.844 -2.591 -3.352 1.00 0.00 H new ATOM 785 N LYS A 49 47.791 -1.989 -6.614 1.00 0.00 N ATOM 786 CA LYS A 49 46.838 -1.951 -7.766 1.00 0.00 C ATOM 787 C LYS A 49 45.973 -3.215 -7.817 1.00 0.00 C ATOM 788 O LYS A 49 45.486 -3.589 -8.866 1.00 0.00 O ATOM 789 CB LYS A 49 47.729 -1.867 -9.007 1.00 0.00 C ATOM 790 CG LYS A 49 47.939 -0.399 -9.382 1.00 0.00 C ATOM 791 CD LYS A 49 49.071 0.191 -8.537 1.00 0.00 C ATOM 792 CE LYS A 49 48.752 1.649 -8.196 1.00 0.00 C ATOM 793 NZ LYS A 49 48.258 1.616 -6.791 1.00 0.00 N ATOM 0 H LYS A 49 48.488 -2.733 -6.650 1.00 0.00 H new ATOM 0 HA LYS A 49 46.147 -1.112 -7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.689 -2.345 -8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.268 -2.404 -9.836 1.00 0.00 H new ATOM 0 HG2 LYS A 49 48.181 -0.315 -10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 49 47.019 0.163 -9.220 1.00 0.00 H new ATOM 0 HD2 LYS A 49 49.195 -0.388 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.013 0.132 -9.082 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.637 2.279 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 49 47.999 2.056 -8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 48.099 2.588 -6.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.365 1.085 -6.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 48.965 1.153 -6.185 1.00 0.00 H new ATOM 807 N ASN A 50 45.770 -3.866 -6.696 1.00 0.00 N ATOM 808 CA ASN A 50 44.929 -5.101 -6.683 1.00 0.00 C ATOM 809 C ASN A 50 44.499 -5.461 -5.257 1.00 0.00 C ATOM 810 O ASN A 50 43.382 -5.886 -5.024 1.00 0.00 O ATOM 811 CB ASN A 50 45.823 -6.206 -7.254 1.00 0.00 C ATOM 812 CG ASN A 50 45.638 -6.296 -8.770 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.486 -5.863 -9.524 1.00 0.00 O ATOM 814 ND2 ASN A 50 44.555 -6.845 -9.251 1.00 0.00 N ATOM 0 H ASN A 50 46.151 -3.594 -5.790 1.00 0.00 H new ATOM 0 HA ASN A 50 44.016 -4.964 -7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 50 46.867 -5.999 -7.018 1.00 0.00 H new ATOM 0 HB3 ASN A 50 45.575 -7.161 -6.792 1.00 0.00 H new ATOM 0 HD21 ASN A 50 44.421 -6.910 -10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 50 43.843 -7.209 -8.618 1.00 0.00 H new ATOM 821 N GLY A 51 45.385 -5.312 -4.311 1.00 0.00 N ATOM 822 CA GLY A 51 45.054 -5.662 -2.897 1.00 0.00 C ATOM 823 C GLY A 51 44.582 -4.424 -2.131 1.00 0.00 C ATOM 824 O GLY A 51 44.683 -4.365 -0.920 1.00 0.00 O ATOM 0 H GLY A 51 46.331 -4.960 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.277 -6.426 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 51 45.930 -6.087 -2.407 1.00 0.00 H new ATOM 828 N GLN A 52 44.041 -3.444 -2.817 1.00 0.00 N ATOM 829 CA GLN A 52 43.529 -2.216 -2.140 1.00 0.00 C ATOM 830 C GLN A 52 44.561 -1.650 -1.145 1.00 0.00 C ATOM 831 O GLN A 52 45.752 -1.775 -1.348 1.00 0.00 O ATOM 832 CB GLN A 52 42.255 -2.681 -1.433 1.00 0.00 C ATOM 833 CG GLN A 52 41.311 -3.382 -2.421 1.00 0.00 C ATOM 834 CD GLN A 52 39.886 -3.369 -1.865 1.00 0.00 C ATOM 835 OE1 GLN A 52 39.507 -2.460 -1.154 1.00 0.00 O ATOM 836 NE2 GLN A 52 39.075 -4.348 -2.159 1.00 0.00 N ATOM 0 H GLN A 52 43.933 -3.446 -3.831 1.00 0.00 H new ATOM 0 HA GLN A 52 43.337 -1.403 -2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 52 42.511 -3.362 -0.622 1.00 0.00 H new ATOM 0 HB3 GLN A 52 41.750 -1.826 -0.984 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.340 -2.878 -3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.638 -4.408 -2.587 1.00 0.00 H new ATOM 0 HE21 GLN A 52 39.393 -5.112 -2.756 1.00 0.00 H new ATOM 0 HE22 GLN A 52 38.123 -4.350 -1.792 1.00 0.00 H new ATOM 845 N GLU A 53 44.109 -1.018 -0.092 1.00 0.00 N ATOM 846 CA GLU A 53 45.055 -0.432 0.914 1.00 0.00 C ATOM 847 C GLU A 53 45.490 -1.493 1.928 1.00 0.00 C ATOM 848 O GLU A 53 44.798 -2.469 2.150 1.00 0.00 O ATOM 849 CB GLU A 53 44.253 0.670 1.612 1.00 0.00 C ATOM 850 CG GLU A 53 45.209 1.642 2.319 1.00 0.00 C ATOM 851 CD GLU A 53 45.167 1.404 3.831 1.00 0.00 C ATOM 852 OE1 GLU A 53 45.717 0.409 4.271 1.00 0.00 O ATOM 853 OE2 GLU A 53 44.584 2.224 4.522 1.00 0.00 O ATOM 0 H GLU A 53 43.120 -0.880 0.118 1.00 0.00 H new ATOM 0 HA GLU A 53 45.963 -0.052 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.646 1.208 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 53 43.567 0.230 2.335 1.00 0.00 H new ATOM 0 HG2 GLU A 53 46.224 1.502 1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 53 44.927 2.671 2.096 1.00 0.00 H new ATOM 860 N GLY A 54 46.630 -1.304 2.551 1.00 0.00 N ATOM 861 CA GLY A 54 47.109 -2.297 3.558 1.00 0.00 C ATOM 862 C GLY A 54 48.384 -1.768 4.212 1.00 0.00 C ATOM 863 O GLY A 54 48.644 -0.579 4.199 1.00 0.00 O ATOM 0 H GLY A 54 47.247 -0.505 2.404 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.342 -2.467 4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.302 -3.256 3.078 1.00 0.00 H new ATOM 867 N TYR A 55 49.183 -2.637 4.783 1.00 0.00 N ATOM 868 CA TYR A 55 50.439 -2.168 5.433 1.00 0.00 C ATOM 869 C TYR A 55 51.662 -2.441 4.550 1.00 0.00 C ATOM 870 O TYR A 55 51.785 -3.481 3.934 1.00 0.00 O ATOM 871 CB TYR A 55 50.534 -2.924 6.759 1.00 0.00 C ATOM 872 CG TYR A 55 49.849 -2.129 7.845 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.562 -1.157 8.556 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.501 -2.364 8.140 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.927 -0.421 9.563 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.866 -1.629 9.148 1.00 0.00 C ATOM 877 CZ TYR A 55 48.580 -0.657 9.859 1.00 0.00 C ATOM 878 OH TYR A 55 47.954 0.070 10.852 1.00 0.00 O ATOM 0 H TYR A 55 49.018 -3.643 4.825 1.00 0.00 H new ATOM 0 HA TYR A 55 50.420 -1.090 5.592 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.069 -3.905 6.664 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.579 -3.091 7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.602 -0.975 8.328 1.00 0.00 H new ATOM 0 HD2 TYR A 55 47.951 -3.113 7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 55 50.477 0.329 10.112 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.826 -1.812 9.377 1.00 0.00 H new ATOM 0 HH TYR A 55 47.020 -0.218 10.929 1.00 0.00 H new ATOM 888 N ILE A 56 52.560 -1.490 4.486 1.00 0.00 N ATOM 889 CA ILE A 56 53.789 -1.636 3.647 1.00 0.00 C ATOM 890 C ILE A 56 55.045 -1.464 4.542 1.00 0.00 C ATOM 891 O ILE A 56 55.324 -0.357 4.963 1.00 0.00 O ATOM 892 CB ILE A 56 53.673 -0.480 2.622 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.745 -0.894 1.485 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.031 -0.121 2.015 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.311 -0.956 1.993 1.00 0.00 C ATOM 0 H ILE A 56 52.492 -0.605 4.988 1.00 0.00 H new ATOM 0 HA ILE A 56 53.878 -2.608 3.162 1.00 0.00 H new ATOM 0 HB ILE A 56 53.281 0.387 3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.820 -0.182 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 56 53.045 -1.866 1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.907 0.694 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.712 0.191 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.443 -0.991 1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.649 -1.252 1.179 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.242 -1.685 2.800 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.014 0.025 2.364 1.00 0.00 H new ATOM 907 N PRO A 57 55.789 -2.533 4.799 1.00 0.00 N ATOM 908 CA PRO A 57 57.014 -2.399 5.631 1.00 0.00 C ATOM 909 C PRO A 57 57.996 -1.435 4.948 1.00 0.00 C ATOM 910 O PRO A 57 58.366 -1.625 3.805 1.00 0.00 O ATOM 911 CB PRO A 57 57.564 -3.830 5.661 1.00 0.00 C ATOM 912 CG PRO A 57 56.629 -4.739 4.840 1.00 0.00 C ATOM 913 CD PRO A 57 55.468 -3.898 4.299 1.00 0.00 C ATOM 0 HA PRO A 57 56.838 -1.998 6.629 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.573 -3.855 5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.631 -4.187 6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.177 -5.198 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.249 -5.549 5.462 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.419 -3.929 3.211 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.506 -4.249 4.672 1.00 0.00 H new ATOM 921 N SER A 58 58.403 -0.395 5.634 1.00 0.00 N ATOM 922 CA SER A 58 59.344 0.602 5.021 1.00 0.00 C ATOM 923 C SER A 58 60.583 -0.082 4.428 1.00 0.00 C ATOM 924 O SER A 58 61.074 0.308 3.386 1.00 0.00 O ATOM 925 CB SER A 58 59.749 1.528 6.169 1.00 0.00 C ATOM 926 OG SER A 58 60.492 0.787 7.129 1.00 0.00 O ATOM 0 H SER A 58 58.125 -0.191 6.594 1.00 0.00 H new ATOM 0 HA SER A 58 58.870 1.139 4.199 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.347 2.357 5.790 1.00 0.00 H new ATOM 0 HB3 SER A 58 58.863 1.961 6.633 1.00 0.00 H new ATOM 0 HG SER A 58 61.134 1.379 7.574 1.00 0.00 H new ATOM 932 N ASN A 59 61.089 -1.090 5.086 1.00 0.00 N ATOM 933 CA ASN A 59 62.302 -1.796 4.566 1.00 0.00 C ATOM 934 C ASN A 59 61.961 -2.567 3.288 1.00 0.00 C ATOM 935 O ASN A 59 62.734 -2.622 2.350 1.00 0.00 O ATOM 936 CB ASN A 59 62.720 -2.744 5.703 1.00 0.00 C ATOM 937 CG ASN A 59 61.726 -3.904 5.859 1.00 0.00 C ATOM 938 OD1 ASN A 59 61.874 -4.937 5.236 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.712 -3.773 6.671 1.00 0.00 N ATOM 0 H ASN A 59 60.717 -1.457 5.962 1.00 0.00 H new ATOM 0 HA ASN A 59 63.107 -1.111 4.300 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.715 -3.140 5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.782 -2.188 6.638 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.045 -4.537 6.782 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.586 -2.907 7.195 1.00 0.00 H new ATOM 946 N TYR A 60 60.810 -3.173 3.268 1.00 0.00 N ATOM 947 CA TYR A 60 60.388 -3.972 2.074 1.00 0.00 C ATOM 948 C TYR A 60 60.232 -3.087 0.832 1.00 0.00 C ATOM 949 O TYR A 60 60.520 -3.514 -0.271 1.00 0.00 O ATOM 950 CB TYR A 60 59.041 -4.591 2.458 1.00 0.00 C ATOM 951 CG TYR A 60 59.249 -6.012 2.927 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.594 -6.268 4.260 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.099 -7.075 2.028 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.786 -7.585 4.693 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.291 -8.392 2.461 1.00 0.00 C ATOM 956 CZ TYR A 60 59.635 -8.647 3.794 1.00 0.00 C ATOM 957 OH TYR A 60 59.825 -9.946 4.221 1.00 0.00 O ATOM 0 H TYR A 60 60.134 -3.152 4.031 1.00 0.00 H new ATOM 0 HA TYR A 60 61.134 -4.725 1.820 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.571 -4.003 3.246 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.366 -4.575 1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.712 -5.449 4.954 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.835 -6.878 0.999 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.051 -7.782 5.721 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.174 -9.211 1.767 1.00 0.00 H new ATOM 0 HH TYR A 60 59.680 -10.561 3.472 1.00 0.00 H new ATOM 967 N VAL A 61 59.772 -1.867 0.986 1.00 0.00 N ATOM 968 CA VAL A 61 59.598 -0.985 -0.214 1.00 0.00 C ATOM 969 C VAL A 61 60.646 0.127 -0.246 1.00 0.00 C ATOM 970 O VAL A 61 61.330 0.390 0.725 1.00 0.00 O ATOM 971 CB VAL A 61 58.195 -0.383 -0.102 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.153 -1.501 -0.167 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.054 0.370 1.225 1.00 0.00 C ATOM 0 H VAL A 61 59.512 -1.448 1.879 1.00 0.00 H new ATOM 0 HA VAL A 61 59.722 -1.559 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 61 58.038 0.312 -0.927 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.154 -1.072 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.246 -2.030 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.315 -2.198 0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.053 0.796 1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.216 -0.319 2.054 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.793 1.170 1.269 1.00 0.00 H new ATOM 983 N THR A 62 60.759 0.787 -1.368 1.00 0.00 N ATOM 984 CA THR A 62 61.741 1.900 -1.510 1.00 0.00 C ATOM 985 C THR A 62 61.095 3.030 -2.338 1.00 0.00 C ATOM 986 O THR A 62 59.961 3.388 -2.098 1.00 0.00 O ATOM 987 CB THR A 62 62.949 1.268 -2.221 1.00 0.00 C ATOM 988 OG1 THR A 62 63.951 2.257 -2.412 1.00 0.00 O ATOM 989 CG2 THR A 62 62.524 0.705 -3.580 1.00 0.00 C ATOM 0 H THR A 62 60.204 0.599 -2.203 1.00 0.00 H new ATOM 0 HA THR A 62 62.047 2.345 -0.563 1.00 0.00 H new ATOM 0 HB THR A 62 63.342 0.457 -1.607 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.723 1.857 -2.864 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.387 0.260 -4.075 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.757 -0.055 -3.435 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.126 1.509 -4.199 1.00 0.00 H new ATOM 997 N GLU A 63 61.785 3.595 -3.304 1.00 0.00 N ATOM 998 CA GLU A 63 61.172 4.685 -4.122 1.00 0.00 C ATOM 999 C GLU A 63 60.450 4.085 -5.331 1.00 0.00 C ATOM 1000 O GLU A 63 60.928 3.156 -5.950 1.00 0.00 O ATOM 1001 CB GLU A 63 62.344 5.560 -4.569 1.00 0.00 C ATOM 1002 CG GLU A 63 62.860 6.370 -3.378 1.00 0.00 C ATOM 1003 CD GLU A 63 63.754 7.504 -3.882 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.483 7.278 -4.833 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.693 8.580 -3.308 1.00 0.00 O ATOM 0 H GLU A 63 62.741 3.347 -3.558 1.00 0.00 H new ATOM 0 HA GLU A 63 60.434 5.260 -3.562 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.143 4.938 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.027 6.230 -5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.023 6.777 -2.811 1.00 0.00 H new ATOM 0 HG3 GLU A 63 63.420 5.725 -2.701 1.00 0.00 H new ATOM 1012 N ALA A 64 59.294 4.609 -5.665 1.00 0.00 N ATOM 1013 CA ALA A 64 58.515 4.070 -6.830 1.00 0.00 C ATOM 1014 C ALA A 64 59.400 3.951 -8.081 1.00 0.00 C ATOM 1015 O ALA A 64 59.188 3.096 -8.920 1.00 0.00 O ATOM 1016 CB ALA A 64 57.402 5.087 -7.070 1.00 0.00 C ATOM 0 H ALA A 64 58.853 5.390 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 64 58.130 3.071 -6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.787 4.762 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.783 5.167 -6.176 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.840 6.059 -7.296 1.00 0.00 H new ATOM 1022 N GLU A 65 60.383 4.805 -8.204 1.00 0.00 N ATOM 1023 CA GLU A 65 61.286 4.751 -9.392 1.00 0.00 C ATOM 1024 C GLU A 65 62.728 5.054 -8.976 1.00 0.00 C ATOM 1025 O GLU A 65 63.047 5.097 -7.802 1.00 0.00 O ATOM 1026 CB GLU A 65 60.761 5.834 -10.337 1.00 0.00 C ATOM 1027 CG GLU A 65 59.473 5.350 -11.004 1.00 0.00 C ATOM 1028 CD GLU A 65 59.142 6.256 -12.191 1.00 0.00 C ATOM 1029 OE1 GLU A 65 58.975 7.446 -11.976 1.00 0.00 O ATOM 1030 OE2 GLU A 65 59.061 5.745 -13.297 1.00 0.00 O ATOM 0 H GLU A 65 60.600 5.540 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 65 61.292 3.767 -9.862 1.00 0.00 H new ATOM 0 HB2 GLU A 65 60.573 6.754 -9.784 1.00 0.00 H new ATOM 0 HB3 GLU A 65 61.510 6.065 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 65 59.590 4.320 -11.341 1.00 0.00 H new ATOM 0 HG3 GLU A 65 58.653 5.359 -10.286 1.00 0.00 H new ATOM 1037 N ASP A 66 63.598 5.264 -9.931 1.00 0.00 N ATOM 1038 CA ASP A 66 65.023 5.565 -9.601 1.00 0.00 C ATOM 1039 C ASP A 66 65.226 7.076 -9.462 1.00 0.00 C ATOM 1040 O ASP A 66 65.345 7.787 -10.442 1.00 0.00 O ATOM 1041 CB ASP A 66 65.826 5.023 -10.784 1.00 0.00 C ATOM 1042 CG ASP A 66 67.301 4.909 -10.392 1.00 0.00 C ATOM 1043 OD1 ASP A 66 67.928 5.940 -10.213 1.00 0.00 O ATOM 1044 OD2 ASP A 66 67.778 3.791 -10.276 1.00 0.00 O ATOM 0 H ASP A 66 63.382 5.240 -10.928 1.00 0.00 H new ATOM 0 HA ASP A 66 65.332 5.115 -8.658 1.00 0.00 H new ATOM 0 HB2 ASP A 66 65.442 4.047 -11.081 1.00 0.00 H new ATOM 0 HB3 ASP A 66 65.718 5.684 -11.644 1.00 0.00 H new ATOM 1049 N SER A 67 65.266 7.568 -8.249 1.00 0.00 N ATOM 1050 CA SER A 67 65.461 9.033 -8.036 1.00 0.00 C ATOM 1051 C SER A 67 66.261 9.278 -6.752 1.00 0.00 C ATOM 1052 O SER A 67 66.454 8.332 -6.008 1.00 0.00 O ATOM 1053 CB SER A 67 64.051 9.606 -7.906 1.00 0.00 C ATOM 1054 OG SER A 67 64.005 10.884 -8.526 1.00 0.00 O ATOM 1055 OXT SER A 67 66.664 10.410 -6.536 1.00 0.00 O ATOM 0 H SER A 67 65.172 7.016 -7.396 1.00 0.00 H new ATOM 0 HA SER A 67 66.016 9.499 -8.850 1.00 0.00 H new ATOM 0 HB2 SER A 67 63.329 8.936 -8.373 1.00 0.00 H new ATOM 0 HB3 SER A 67 63.775 9.689 -6.855 1.00 0.00 H new ATOM 0 HG SER A 67 63.101 11.254 -8.446 1.00 0.00 H new TER 1061 SER A 67